==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-02 1LGU . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.Q.WEI,W.A.BAASE,L.H.WEAVER,B.W.MATTHEWS,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 86 53.1 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.1 43.4 -1.9 9.0 2 2 A N > - 0 0 71 95,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.925 360.0 -86.1-149.0 175.2 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.775 122.1 51.8 -53.8 -38.5 38.3 2.4 11.3 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 112.6 43.0 -68.2 -47.1 40.4 3.7 14.1 5 5 A E H > S+ 0 0 92 -3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.899 115.3 51.9 -66.3 -36.9 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.926 113.4 41.5 -65.4 -48.5 42.1 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.4 0.879 108.9 59.4 -69.9 -29.3 40.7 7.7 10.8 8 8 A R H X S+ 0 0 108 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.889 107.1 49.8 -62.9 -32.4 43.8 8.3 12.8 9 9 A I H < S+ 0 0 81 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.934 114.9 41.3 -69.9 -44.8 45.5 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.790 124.7 33.4 -73.6 -29.8 43.1 11.0 8.0 11 11 A E H < S- 0 0 46 -4,-2.9 19,-0.3 -5,-0.2 -1,-0.2 0.719 92.5-151.6 -99.0 -24.9 42.6 13.2 11.0 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.173 22.3 -86.0 77.7-171.0 46.0 13.1 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.940 43.8 168.0-140.4 115.8 46.7 13.6 16.5 14 14 A R E -A 28 0A 118 14,-2.0 14,-2.3 -2,-0.4 4,-0.1 -0.988 20.2-165.3-130.4 128.9 47.2 16.9 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-3.1 12,-0.2 2,-0.3 0.468 73.4 64.2 -90.5 -4.4 47.2 17.5 21.9 16 16 A K E S-C 57 0B 105 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.919 101.5 -85.7-117.2 147.1 46.8 21.3 21.9 17 17 A I E + 0 0 2 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.134 59.3 175.5 -49.2 142.3 43.7 23.2 20.6 18 18 A Y E -A 26 0A 22 8,-3.2 8,-3.3 -4,-0.1 2,-0.5 -0.911 34.1-106.3-146.5 169.4 44.0 23.7 16.8 19 19 A K E -A 25 0A 135 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.824 34.2-142.9 -99.4 133.7 42.2 25.0 13.8 20 20 A D > - 0 0 49 4,-2.4 3,-2.0 -2,-0.5 -1,-0.0 -0.206 41.5 -79.6 -81.6-169.4 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.721 134.9 48.7 -62.2 -25.6 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 92 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.413 124.3-103.7 -94.0 2.4 37.6 25.0 7.9 23 23 A G S < S+ 0 0 32 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.542 74.5 140.9 86.3 18.7 39.3 27.1 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.699 59.1-101.4-100.9 149.1 37.4 25.7 13.6 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-3.5 11,-0.5 9,-1.4 -0.328 55.4 152.8 -63.8 125.2 38.6 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-3.2 -2,-0.3 2,-0.3 -0.906 20.7-165.6-145.7 167.9 39.3 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-2.4 4,-2.3 -2,-0.3 2,-0.2 -0.988 48.8 5.1-151.7 166.3 41.5 19.0 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.0 -2,-0.3 2,-1.0 -0.458 122.5 -2.5 70.6-132.3 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -2,-0.2 -16,-0.1 -0.590 130.0 -55.0-103.6 71.7 41.9 13.1 16.8 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.830 84.1 163.8 66.1 37.0 39.8 15.5 14.9 31 31 A H E < -B 27 0A 32 -4,-2.3 -4,-2.4 1,-0.0 2,-0.2 -0.702 31.3-141.0 -91.4 105.9 37.4 16.3 17.8 32 32 A L E -B 26 0A 75 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.383 20.8-177.8 -68.5 129.5 35.6 19.4 16.9 33 33 A L E - 0 0 15 -8,-3.5 2,-0.3 1,-0.4 -7,-0.2 0.893 56.9 -29.6 -94.4 -44.4 35.1 21.7 19.7 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.955 33.7-134.7-168.6 156.8 33.1 24.5 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.585 77.2 105.3 -93.2 -12.0 32.4 26.5 15.3 36 36 A S S S- 0 0 47 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.303 70.5-137.7 -66.5 152.0 32.7 29.8 17.3 37 37 A P S S+ 0 0 114 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.466 72.3 107.0 -91.0 -4.4 35.8 31.9 16.7 38 38 A S > - 0 0 60 1,-0.2 4,-1.5 2,-0.0 3,-0.4 -0.661 59.0-156.0 -79.1 112.3 36.2 32.7 20.4 39 39 A L H > S+ 0 0 58 -2,-0.7 4,-2.2 1,-0.3 5,-0.2 0.787 94.9 58.4 -55.4 -29.0 39.2 30.6 21.7 40 40 A N H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.913 99.1 53.6 -71.4 -42.7 37.7 30.9 25.0 41 41 A A H > S+ 0 0 32 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.848 110.3 52.5 -57.8 -29.6 34.5 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.906 106.5 49.0 -73.7 -41.7 36.7 26.6 22.8 43 43 A K H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 11,-0.3 0.909 111.7 51.4 -67.9 -33.9 38.6 26.2 26.0 44 44 A S H X S+ 0 0 69 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.978 109.7 47.0 -65.3 -52.1 35.4 26.0 27.8 45 45 A E H X S+ 0 0 66 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 111.2 55.3 -57.6 -40.1 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.929 108.4 45.8 -58.3 -45.8 37.2 21.5 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 5,-1.4 0.891 111.8 52.0 -65.9 -36.5 37.0 21.5 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.835 110.9 47.6 -66.2 -38.2 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.926 120.5 37.2 -69.7 -39.7 34.2 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.747 104.2-125.4 -86.0 -26.2 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 65 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.818 75.5 65.1 89.6 24.1 35.9 17.1 32.7 52 52 A R S - 0 0 9 -2,-0.8 3,-1.1 -11,-0.3 -1,-0.2 0.734 30.4-148.0 -93.6 -34.2 42.6 21.8 30.5 55 55 A N T 3 S- 0 0 130 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.946 73.6 -55.1 60.0 43.4 43.9 25.1 29.6 56 56 A G T 3 S+ 0 0 4 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.582 118.9 95.8 70.2 7.2 43.8 24.0 25.9 57 57 A V B < +C 16 0B 74 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.977 45.4 177.4-135.7 145.9 45.8 21.0 26.3 58 58 A I - 0 0 7 -43,-3.1 2,-0.2 -2,-0.4 -30,-0.1 -0.783 27.1-106.7-133.7 175.6 45.1 17.3 26.8 59 59 A T > - 0 0 59 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.589 32.4-109.1 -99.0 171.4 46.8 14.0 27.1 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 120.9 51.8 -61.8 -43.1 47.0 11.1 24.6 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 109.7 49.4 -61.2 -41.7 44.7 9.0 26.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 111.8 49.3 -66.2 -43.9 42.2 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -34,-0.4 0.918 110.7 49.1 -61.6 -42.6 42.4 12.3 23.1 64 64 A E H X S+ 0 0 69 -4,-2.8 4,-2.0 1,-0.2 -1,-0.3 0.818 108.5 54.7 -67.6 -29.4 41.9 8.6 22.6 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.949 108.2 47.1 -68.2 -47.3 39.0 8.7 24.8 66 66 A L H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.919 109.8 56.1 -60.2 -36.6 37.3 11.4 22.9 67 67 A F H X S+ 0 0 14 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.889 105.5 50.7 -64.1 -35.9 38.1 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.942 110.7 47.5 -67.4 -39.3 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.903 112.4 51.4 -65.6 -38.8 33.3 8.2 21.9 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.875 109.2 47.2 -67.9 -38.7 33.3 10.0 18.6 71 71 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.914 114.8 49.1 -66.2 -46.9 33.6 6.8 16.5 72 72 A D H X S+ 0 0 78 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.960 108.2 52.4 -55.9 -48.0 30.9 5.3 18.5 73 73 A A H X S+ 0 0 47 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.901 108.9 52.0 -56.2 -41.4 28.7 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.932 108.6 47.5 -64.4 -46.9 29.1 8.2 14.4 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.961 113.3 49.5 -58.9 -44.8 28.2 4.6 13.9 76 76 A R H X S+ 0 0 112 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.918 108.4 53.3 -61.8 -41.9 25.2 5.1 16.1 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.3 0.915 108.7 50.0 -63.0 -33.5 24.2 8.2 14.1 78 78 A I H >< S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.2 7,-0.3 0.952 109.8 50.8 -66.7 -44.0 24.4 6.2 11.0 79 79 A L H 3< S+ 0 0 71 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 109.4 50.3 -66.1 -29.7 22.2 3.5 12.4 80 80 A R H 3< S+ 0 0 182 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.595 91.2 95.4 -82.5 -11.1 19.6 5.9 13.6 81 81 A N S+ 0 0 129 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.890 121.7 37.7 -82.4 -35.8 18.5 7.5 4.8 84 84 A L H > S+ 0 0 9 -7,-0.2 4,-3.0 1,-0.1 5,-0.3 0.870 100.1 68.9 -81.0 -43.8 21.7 6.0 5.9 85 85 A K H X S+ 0 0 93 -4,-3.0 4,-2.9 -7,-0.3 5,-0.3 0.900 99.5 49.1 -45.7 -53.3 21.0 2.8 7.7 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.912 113.3 46.6 -61.0 -38.8 19.9 0.9 4.7 87 87 A V H X S+ 0 0 9 -4,-0.6 4,-0.6 1,-0.2 3,-0.4 0.960 112.4 49.8 -67.7 -48.3 22.8 1.9 2.7 88 88 A Y H >< S+ 0 0 29 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.913 109.1 50.7 -55.6 -45.6 25.2 1.1 5.3 89 89 A D H 3< S+ 0 0 66 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.795 103.6 60.8 -72.3 -16.3 23.8 -2.3 6.0 90 90 A S H 3< S+ 0 0 40 -4,-1.2 -1,-0.3 -3,-0.4 2,-0.2 0.600 93.2 86.3 -81.1 -7.9 24.0 -3.2 2.5 91 91 A L S << S- 0 0 5 -3,-1.5 31,-0.0 -4,-0.6 2,-0.0 -0.625 77.3-114.5 -95.8 159.7 27.7 -2.7 2.3 92 92 A D > - 0 0 59 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.169 44.6 -91.9 -73.5 176.9 30.6 -5.0 3.1 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.852 119.9 48.3 -65.2 -38.3 32.9 -4.3 5.9 94 94 A V H >> S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 3,-1.1 0.976 112.8 48.5 -64.8 -52.8 35.6 -2.2 4.2 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.851 104.0 62.7 -56.5 -31.7 33.1 -0.0 2.5 96 96 A R H 3X S+ 0 0 81 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.905 100.3 53.4 -60.0 -37.0 31.4 0.4 5.9 97 97 A C H S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.805 127.1 59.3 -61.7 -37.9 25.0 12.6 9.5 109 109 A T H > S+ 0 0 116 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.983 106.2 41.9 -53.5 -69.7 23.4 15.6 8.1 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-1.2 1,-0.2 4,-0.3 0.936 116.0 48.8 -51.8 -52.3 25.8 16.2 5.2 111 111 A V H >< S+ 0 0 5 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.909 102.4 62.2 -59.7 -39.7 26.1 12.6 4.3 112 112 A A H 3< S+ 0 0 22 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.804 97.9 60.2 -53.9 -29.4 22.4 12.2 4.3 113 113 A G T << S+ 0 0 58 -4,-1.2 2,-0.7 -3,-1.2 3,-0.3 0.481 78.8 87.9 -76.5 -6.3 22.3 14.9 1.4 114 114 A F <> + 0 0 42 -3,-2.3 4,-3.1 -4,-0.3 5,-0.3 -0.271 54.0 153.4 -87.6 46.9 24.4 12.7 -0.9 115 115 A T H > + 0 0 72 -2,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.886 63.1 46.6 -46.1 -50.8 21.3 11.1 -2.2 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.896 114.8 46.1 -66.1 -40.8 22.4 10.1 -5.6 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.883 108.8 57.8 -69.4 -32.9 25.6 8.6 -4.4 118 118 A L H X S+ 0 0 16 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.929 107.1 46.8 -61.9 -43.6 23.8 6.9 -1.7 119 119 A R H X S+ 0 0 116 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.937 110.3 52.9 -65.6 -39.3 21.6 5.2 -4.1 120 120 A M H <>S+ 0 0 33 -4,-2.1 5,-2.2 1,-0.2 4,-0.5 0.898 109.3 49.2 -61.0 -41.2 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 5 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.910 108.8 53.8 -65.1 -38.7 26.3 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.951 109.6 46.8 -64.7 -39.0 23.2 0.8 -2.5 123 123 A Q T 3<5S- 0 0 84 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.533 114.4-117.8 -78.6 -0.5 22.9 -0.5 -5.9 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.3 -4,-0.5 -3,-0.2 0.725 62.5 147.7 69.4 31.5 26.7 -1.5 -6.0 125 125 A R >< + 0 0 116 -5,-2.2 4,-3.0 1,-0.2 5,-0.2 -0.689 19.7 172.8 -95.7 71.9 27.6 0.8 -8.9 126 126 A W H > S+ 0 0 48 -2,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.883 70.0 43.8 -52.7 -53.6 31.1 1.5 -7.6 127 127 A D H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 116.4 49.7 -65.3 -38.3 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.920 109.7 47.7 -66.5 -44.9 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.0 4,-3.5 1,-0.2 5,-0.2 0.885 109.2 57.4 -59.0 -41.3 29.2 6.3 -7.2 130 130 A A H X S+ 0 0 9 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.909 106.7 46.3 -63.1 -41.7 32.8 7.3 -7.1 131 131 A V H >X S+ 0 0 91 -4,-2.1 4,-0.6 2,-0.2 3,-0.5 0.942 114.1 49.3 -67.1 -41.0 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.941 105.7 55.9 -58.5 -50.1 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.4 1,-0.3 -1,-0.3 0.833 101.6 59.4 -55.0 -30.3 31.0 11.5 -5.0 134 134 A A H << S+ 0 0 25 -4,-1.0 2,-1.7 -3,-0.5 -1,-0.3 0.681 84.7 79.5 -79.1 -12.7 33.8 13.6 -6.5 135 135 A K S << S+ 0 0 162 -3,-1.7 2,-0.3 -4,-0.6 -1,-0.2 -0.572 81.6 97.4 -91.6 73.2 31.5 16.2 -7.7 136 136 A S S > S- 0 0 19 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.998 84.2-115.2-159.0 155.2 31.2 17.8 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.910 113.6 63.7 -56.8 -42.0 32.5 20.5 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.927 106.7 39.9 -48.2 -51.2 33.8 17.9 0.0 139 139 A Y H 4 S+ 0 0 69 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 114.9 54.5 -66.5 -42.8 36.2 16.5 -2.6 140 140 A N H < S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.840 114.3 39.9 -61.2 -37.8 37.1 20.1 -3.8 141 141 A Q H < S+ 0 0 115 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 133.6 18.0 -86.5 -30.5 38.1 21.3 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 -0.538 73.2 160.8-138.5 67.9 39.9 18.2 0.9 143 143 A P H > + 0 0 44 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.831 65.8 55.2 -59.9 -40.3 40.8 16.2 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.954 115.9 38.8 -68.2 -39.1 43.6 13.9 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.966 116.0 51.5 -69.3 -46.4 41.6 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 5,-0.3 0.940 107.2 56.0 -57.5 -37.8 38.4 12.5 -0.1 147 147 A K H X S+ 0 0 87 -4,-3.0 4,-2.2 1,-0.2 -1,-0.3 0.902 105.7 50.5 -60.0 -40.5 40.3 10.6 -2.7 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.915 112.8 45.2 -61.8 -41.8 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.898 112.4 51.3 -69.2 -39.2 37.7 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.860 108.0 51.0 -65.1 -39.3 36.3 7.4 -2.4 151 151 A T H X S+ 0 0 33 -4,-2.2 4,-2.5 -5,-0.3 6,-0.4 0.859 107.5 55.4 -68.5 -30.0 38.8 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.932 110.9 43.0 -64.1 -46.1 37.8 2.8 -0.5 153 153 A F H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.9 54.1 -67.2 -32.2 34.2 2.9 -1.6 154 154 A R H < S+ 0 0 103 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 122.9 22.1 -67.9 -39.7 35.3 2.2 -5.1 155 155 A T H < S- 0 0 48 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.628 83.9-132.7-104.2 -23.4 37.3 -0.9 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.8 2,-0.2 1,-0.3 -62,-0.2 0.686 76.4 99.3 71.8 15.2 36.2 -2.4 -1.2 157 157 A T S S- 0 0 43 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.817 79.4-119.0-128.6 174.2 40.0 -2.7 -0.3 158 158 A W S > S+ 0 0 48 -2,-0.2 3,-1.5 1,-0.2 4,-0.4 0.140 71.4 119.3 -98.1 18.6 42.5 -0.7 1.9 159 159 A D G > + 0 0 117 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.822 67.6 58.4 -56.0 -32.4 44.8 0.1 -0.9 160 160 A A G 3 S+ 0 0 30 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.750 109.6 46.8 -68.5 -21.6 44.5 3.9 -0.5 161 161 A Y G < 0 0 6 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.422 360.0 360.0 -99.8 1.2 45.6 3.5 2.9 162 162 A K < 0 0 203 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.1 -0.311 360.0 360.0 59.1 360.0 48.3 1.3 1.5