==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DN3 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 10 6.2 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 1 0 1 2 0 0 1 1 0 0 0 0 0 1 0 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 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 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.7 43.0 -1.7 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.931 360.0 -79.1-159.6 178.1 39.6 -0.6 10.6 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.838 126.7 51.3 -58.1 -36.0 37.5 2.5 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 114.3 41.1 -67.0 -50.4 39.7 3.6 14.1 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.848 115.6 53.7 -63.8 -35.6 43.0 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.942 112.1 41.0 -66.4 -51.4 41.4 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.838 110.1 59.8 -68.2 -32.5 40.1 7.9 10.9 8 8 A R H X S+ 0 0 103 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.905 108.7 44.7 -59.2 -42.0 43.4 8.2 12.8 9 9 A I H < S+ 0 0 84 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.942 118.0 43.4 -64.6 -48.0 45.2 8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.810 125.2 31.5 -70.9 -32.1 42.6 11.0 8.0 11 11 A E H < S- 0 0 42 -4,-2.9 19,-0.4 1,-0.1 -1,-0.2 0.680 92.4-153.7-100.8 -21.8 42.3 13.2 11.2 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.175 24.6 -86.5 71.1-172.9 45.8 13.0 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 45.3 167.0-137.8 120.0 46.4 13.4 16.4 14 14 A R E -A 28 0A 150 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -0.998 21.2-161.1-134.0 131.4 47.0 16.8 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.455 74.0 61.8 -95.2 -2.7 46.9 17.4 21.9 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.920 101.5 -83.4-119.2 150.8 46.4 21.1 21.9 17 17 A I E + 0 0 34 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.273 58.3 167.4 -53.0 126.7 43.5 23.1 20.4 18 18 A Y E -A 26 0A 26 8,-2.7 8,-3.0 -4,-0.1 2,-0.5 -0.874 37.8-103.0-134.8 167.2 43.9 23.6 16.6 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.835 35.2-138.0 -96.1 132.5 41.8 24.8 13.7 20 20 A D > - 0 0 45 4,-2.8 3,-1.8 -2,-0.5 -1,-0.1 0.030 42.2 -76.4 -74.6-170.9 40.4 22.1 11.4 21 21 A T T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.759 135.4 48.8 -62.4 -25.7 40.3 22.3 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.409 123.6-103.5 -93.4 -0.1 37.3 24.6 7.8 23 23 A G S < S+ 0 0 39 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.600 75.3 140.0 88.5 15.6 39.0 26.9 10.4 24 24 A Y - 0 0 78 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.754 61.1-100.0 -99.0 139.0 37.0 25.5 13.4 25 25 A Y E +A 19 0A 36 9,-0.5 8,-2.6 11,-0.4 9,-1.2 -0.271 55.3 160.4 -58.8 130.8 38.5 24.8 16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.914 19.4-166.9-148.3 159.7 39.2 21.1 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.4 -2,-0.3 -12,-0.2 -0.971 51.7 3.4-148.7 165.7 41.4 18.8 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.4 -14,-1.7 -2,-0.3 2,-1.1 -0.349 124.5 -5.2 68.0-132.1 42.6 15.2 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.685 128.6 -54.7 -99.4 76.5 41.7 13.0 16.6 30 30 A G T 4 S+ 0 0 12 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.809 81.4 164.5 57.0 34.9 39.4 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-2.4 -4,-1.8 -20,-0.1 -1,-0.2 -0.735 32.3-141.1 -81.4 101.8 37.1 16.2 17.7 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.450 20.2-175.7 -63.1 126.8 35.3 19.3 16.7 33 33 A L - 0 0 10 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.885 58.3 -34.1 -90.5 -47.3 34.9 21.6 19.7 34 34 A T - 0 0 32 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.963 34.6-130.2-170.5 154.2 32.8 24.4 18.2 35 35 A K S S+ 0 0 121 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.481 76.1 114.7 -89.6 -4.0 32.1 26.5 15.1 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.404 69.4-137.8 -65.6 137.4 32.4 29.6 17.2 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.453 76.2 104.9 -74.3 0.3 35.4 31.9 16.5 38 38 A S > - 0 0 49 1,-0.2 4,-1.8 -13,-0.0 5,-0.1 -0.757 57.1-162.2 -88.2 116.5 35.9 32.3 20.3 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.858 94.7 56.8 -59.9 -37.7 38.9 30.4 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 105.4 49.8 -61.3 -41.4 37.3 30.8 25.1 41 41 A A H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 111.4 50.0 -61.8 -40.4 34.1 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.895 108.7 50.7 -65.7 -43.0 36.2 26.3 22.5 43 43 A K H X S+ 0 0 55 -4,-2.6 4,-2.5 1,-0.2 11,-0.3 0.870 109.4 52.4 -62.9 -37.4 38.2 25.8 25.7 44 44 A S H X S+ 0 0 68 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 108.6 49.4 -63.6 -43.5 34.8 25.6 27.6 45 45 A E H X S+ 0 0 69 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.887 111.4 50.7 -62.3 -39.9 33.6 22.9 25.2 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.941 109.6 48.6 -62.3 -50.0 36.8 21.0 25.8 47 47 A D H X>S+ 0 0 38 -4,-2.5 4,-2.8 1,-0.2 5,-0.9 0.891 112.3 49.9 -56.6 -42.1 36.5 21.2 29.6 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.4 47.2 -63.4 -43.6 32.9 20.0 29.3 49 49 A A H <5S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 121.2 35.7 -66.6 -38.8 33.9 17.1 27.1 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.768 102.7-127.8 -89.3 -30.2 36.9 16.0 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.691 76.6 73.1 88.1 21.8 35.3 16.8 32.6 52 52 A R S - 0 0 10 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.698 32.4-144.0 -93.1 -25.1 42.1 21.6 30.7 55 55 A N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.789 74.4 -55.7 57.1 30.0 43.3 25.1 29.5 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.541 117.3 99.5 86.0 8.6 43.3 23.8 25.9 57 57 A V B < +C 16 0B 69 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.992 42.8 175.5-130.1 135.6 45.6 20.7 26.4 58 58 A I - 0 0 4 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.838 28.4-108.0-130.0 169.0 44.7 17.1 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.470 32.8-108.2 -90.0 166.1 46.6 13.7 27.0 60 60 A K H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 121.1 53.4 -57.7 -42.0 46.7 11.0 24.4 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 109.9 46.4 -60.4 -45.4 44.4 8.8 26.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 111.5 52.0 -64.7 -41.5 41.8 11.6 26.8 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.921 111.1 47.5 -59.0 -44.1 42.1 12.2 23.0 64 64 A E H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.848 108.5 55.6 -67.0 -34.1 41.5 8.5 22.4 65 65 A K H X S+ 0 0 139 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.956 110.2 44.0 -62.3 -51.8 38.6 8.5 24.8 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.893 112.1 55.2 -57.5 -40.9 36.8 11.3 22.9 67 67 A F H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 106.7 48.5 -60.7 -49.2 37.7 9.6 19.6 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.905 113.3 48.7 -56.7 -43.3 36.0 6.3 20.7 69 69 A Q H X S+ 0 0 98 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.904 111.4 49.8 -63.0 -42.3 32.9 8.3 21.7 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.893 111.7 46.6 -65.8 -43.5 32.9 10.2 18.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.945 113.8 49.3 -62.2 -48.5 33.1 7.0 16.3 72 72 A D H X S+ 0 0 81 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.933 112.0 48.8 -54.5 -49.7 30.4 5.4 18.4 73 73 A A H X S+ 0 0 59 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.857 108.7 53.6 -60.2 -39.1 28.2 8.5 18.0 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.939 112.4 42.9 -62.6 -48.6 28.7 8.6 14.3 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.931 113.8 51.2 -63.0 -46.8 27.6 4.9 13.8 76 76 A R H X S+ 0 0 126 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.878 108.2 53.7 -59.3 -39.4 24.7 5.4 16.2 77 77 A G H X S+ 0 0 12 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.879 106.5 51.4 -59.7 -43.5 23.6 8.5 14.2 78 78 A I H >< S+ 0 0 4 -4,-1.8 3,-1.1 1,-0.2 7,-0.5 0.937 110.1 48.9 -58.3 -49.3 23.6 6.5 11.0 79 79 A L H 3< S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.744 109.3 52.6 -67.0 -24.5 21.4 3.8 12.5 80 80 A R H 3< S+ 0 0 178 -4,-1.3 2,-0.5 -5,-0.2 -1,-0.3 0.565 92.9 89.0 -87.0 -10.4 18.9 6.3 13.9 81 81 A N S+ 0 0 16 -3,-0.4 4,-2.6 -6,-0.3 3,-0.4 0.821 99.4 69.5-105.1 -40.9 20.9 6.4 6.1 85 85 A K H X S+ 0 0 89 -4,-2.5 4,-2.9 -7,-0.5 5,-0.2 0.865 99.1 48.4 -49.7 -50.8 20.2 3.1 7.9 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.869 113.6 47.0 -63.8 -36.0 19.1 1.1 4.8 87 87 A V H > S+ 0 0 11 -3,-0.4 4,-0.7 -4,-0.2 3,-0.2 0.944 114.2 47.8 -68.0 -46.3 22.1 2.2 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.924 111.2 50.0 -56.7 -49.0 24.5 1.4 5.6 89 89 A D H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 105.0 59.4 -61.9 -28.5 22.9 -2.0 6.2 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.687 94.6 87.1 -73.2 -19.0 23.3 -2.8 2.5 91 91 A L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.7 31,-0.0 -0.427 78.2-117.7 -86.2 153.9 27.1 -2.3 2.7 92 92 A D > - 0 0 55 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.380 43.3 -95.8 -73.1 167.7 29.9 -4.7 3.5 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.802 122.0 52.3 -62.1 -36.3 32.1 -3.9 6.5 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.953 113.3 43.5 -66.1 -49.4 34.9 -2.1 4.6 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.812 107.3 61.1 -66.9 -29.6 32.4 0.2 2.8 96 96 A R H X S+ 0 0 80 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.884 101.6 53.5 -60.4 -38.9 30.6 0.8 6.1 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.911 105.7 52.8 -61.1 -42.5 33.9 2.2 7.5 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.884 108.7 50.7 -60.2 -39.1 33.9 4.6 4.5 99 99 A A H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 110.2 48.4 -62.3 -46.3 30.4 5.7 5.4 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.903 107.3 57.4 -61.6 -42.7 31.3 6.3 9.1 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.927 108.2 45.5 -52.5 -51.4 34.4 8.3 7.9 102 102 A M H X S+ 0 0 14 -4,-1.8 4,-2.6 2,-0.2 5,-0.5 0.920 113.5 49.0 -60.5 -47.2 32.1 10.7 5.9 103 103 A V H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 109.5 53.4 -58.6 -45.3 29.7 11.1 8.8 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.2 41.1 -52.4 -46.0 32.6 11.7 11.2 105 105 A Q H < S+ 0 0 48 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.885 133.5 13.9 -75.7 -41.2 33.9 14.5 8.9 106 106 A M H X S- 0 0 40 -4,-2.6 4,-1.4 -5,-0.1 3,-0.2 0.571 90.0-143.1-116.4 -16.1 30.7 16.3 7.9 107 107 A G H X - 0 0 24 -4,-2.3 4,-2.0 -5,-0.5 3,-0.2 -0.052 48.8 -58.9 70.7-179.7 27.9 15.1 10.2 108 108 A E H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.714 136.7 62.6 -72.4 -19.7 24.3 14.5 9.0 109 109 A T H 4 S+ 0 0 113 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.919 111.3 37.8 -61.9 -46.3 24.1 18.2 7.9 110 110 A G H >< S+ 0 0 24 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.801 113.9 55.4 -76.2 -31.6 26.9 17.5 5.4 111 111 A V H >< S+ 0 0 11 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.773 87.8 79.6 -74.6 -26.5 25.6 14.0 4.5 112 112 A A G >< S+ 0 0 65 -4,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.806 88.0 57.0 -49.7 -36.4 22.1 15.3 3.6 113 113 A G G < S+ 0 0 71 -3,-0.6 3,-0.4 -4,-0.3 -1,-0.3 0.595 90.3 74.9 -73.7 -10.4 23.5 16.5 0.1 114 114 A F G <> + 0 0 24 -3,-2.3 4,-2.7 1,-0.2 3,-0.3 0.155 54.0 122.4 -94.7 20.8 24.7 13.0 -0.8 115 115 A T H <> S+ 0 0 76 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.860 76.8 46.4 -46.7 -48.1 21.2 11.5 -1.6 116 116 A N H > S+ 0 0 88 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.854 112.0 50.6 -69.9 -36.4 22.1 10.5 -5.2 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.921 109.0 52.5 -61.9 -47.0 25.5 9.0 -4.1 118 118 A L H X S+ 0 0 34 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.874 106.5 53.0 -57.9 -41.7 23.7 6.9 -1.4 119 119 A R H X S+ 0 0 128 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.928 110.5 46.6 -61.0 -45.7 21.3 5.6 -4.0 120 120 A M H <>S+ 0 0 45 -4,-1.7 5,-2.6 1,-0.2 4,-0.4 0.863 111.4 52.6 -66.0 -36.1 24.1 4.5 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-2.3 3,-1.0 2,-0.2 -2,-0.2 0.909 108.9 48.7 -64.0 -43.8 25.9 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 110.7 51.4 -65.2 -32.1 22.8 0.9 -2.3 123 123 A Q T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.548 111.6-126.3 -76.1 -9.8 22.5 -0.2 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.0 2,-1.3 -4,-0.4 -3,-0.2 0.825 59.4 148.3 61.7 35.8 26.2 -1.3 -5.8 125 125 A R >< + 0 0 122 -5,-2.6 4,-3.1 1,-0.2 5,-0.2 -0.655 21.0 174.7 -94.9 76.1 27.0 0.8 -8.8 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.844 69.3 44.4 -62.4 -44.5 30.5 1.4 -7.4 127 127 A D H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 117.3 46.4 -67.5 -41.8 32.1 3.2 -10.3 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.911 112.9 50.0 -64.3 -44.2 29.1 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.1 4,-2.7 -9,-0.2 -2,-0.2 0.915 109.6 51.9 -58.1 -46.0 28.8 6.1 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.898 110.6 47.5 -59.4 -44.7 32.6 7.0 -7.0 131 131 A V H X S+ 0 0 87 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.927 113.9 48.0 -60.7 -46.6 32.1 9.5 -9.9 132 132 A N H >< S+ 0 0 36 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.883 106.0 56.9 -63.7 -40.9 29.0 11.0 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.813 102.3 56.6 -59.8 -33.0 30.8 11.4 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.9 -3,-0.4 -1,-0.2 0.657 85.1 82.7 -75.5 -17.7 33.5 13.5 -6.3 135 135 A K S << S+ 0 0 160 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.498 81.7 98.3 -83.9 67.6 31.0 16.0 -7.6 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.996 85.4-118.9-154.9 150.8 30.9 17.7 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 116.0 61.4 -53.7 -43.2 32.2 20.6 -2.1 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.920 105.7 43.1 -49.7 -54.2 33.6 17.8 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.923 115.5 49.6 -60.9 -45.6 35.9 16.4 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.9 40.8 -64.9 -36.8 37.0 19.9 -3.8 141 141 A Q H < S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.842 133.0 21.6 -84.0 -35.3 37.9 21.1 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.545 73.9 158.3-128.7 69.1 39.6 17.9 0.9 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.859 70.5 51.9 -65.1 -39.8 40.5 16.0 -2.3 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.938 116.5 39.9 -66.2 -44.3 43.2 13.7 -0.9 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 115.9 51.3 -65.8 -46.2 41.0 12.4 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.905 107.1 54.4 -57.8 -42.8 38.0 12.2 -0.4 147 147 A K H X S+ 0 0 100 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.889 109.6 47.8 -57.8 -41.5 40.0 10.3 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.7 2,-0.2 12,-0.2 0.929 114.8 44.4 -63.8 -46.7 40.9 7.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.924 114.3 49.9 -66.5 -43.6 37.3 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.905 108.2 52.5 -62.2 -43.5 36.0 7.2 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.881 107.5 53.4 -58.2 -39.0 38.5 4.5 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.909 112.4 43.7 -63.1 -43.0 37.3 2.5 -0.4 153 153 A F H < S+ 0 0 6 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.841 115.1 50.0 -67.5 -36.4 33.7 2.8 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 126.8 20.6 -70.0 -41.0 34.7 1.9 -5.2 155 155 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.682 85.6-133.7-104.5 -26.1 36.8 -1.2 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.3 -5,-0.4 -62,-0.2 0.766 73.7 109.3 65.9 25.9 35.6 -2.4 -1.0 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.793 79.0-123.9-121.8 169.0 39.3 -2.7 -0.1 158 158 A W S > S+ 0 0 53 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 0.122 71.3 122.1 -95.4 17.4 41.7 -0.9 2.2 159 159 A D G > + 0 0 122 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.808 67.3 57.5 -52.1 -36.9 44.1 -0.2 -0.7 160 160 A A G 3 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.622 111.6 42.6 -72.1 -12.3 44.0 3.6 -0.3 161 161 A Y G < 0 0 9 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.317 360.0 360.0-113.8 4.5 45.2 3.3 3.3 162 162 A K < 0 0 223 -3,-0.9 -1,-0.2 -4,-0.4 -4,-0.1 -0.556 360.0 360.0 64.7 360.0 47.9 0.7 2.8