==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-05 2B74 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 7 4.3 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 . 85 52.5 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 2 0 1 0 3 0 0 1 1 1 0 0 0 0 0 1 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 . 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.6 43.3 -1.8 9.0 2 2 A N > - 0 0 66 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.902 360.0 -82.8-153.2 176.6 40.1 -0.8 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.855 125.3 53.0 -58.1 -35.7 37.9 2.4 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 112.1 42.1 -67.3 -46.8 40.1 3.6 14.0 5 5 A E H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.850 114.9 54.0 -70.0 -32.4 43.4 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 3,-0.3 0.959 111.7 41.5 -64.7 -55.2 41.7 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.878 109.9 59.2 -64.9 -32.1 40.4 7.9 10.9 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.904 108.5 46.0 -62.9 -35.7 43.7 8.3 12.7 9 9 A I H < S+ 0 0 83 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.950 116.8 44.4 -69.1 -45.3 45.5 8.5 9.3 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.749 124.8 29.6 -71.3 -28.3 43.0 11.0 8.0 11 11 A E H < S- 0 0 46 -4,-2.5 19,-0.3 1,-0.2 -1,-0.2 0.690 90.2-150.7-109.1 -24.9 42.7 13.3 11.0 12 12 A G < - 0 0 22 -4,-1.7 2,-0.3 -5,-0.4 -1,-0.2 -0.375 24.0 -88.9 79.5-172.6 46.1 13.1 12.7 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -2,-0.1 16,-0.2 -0.936 42.6 171.1-142.2 117.9 46.6 13.6 16.5 14 14 A R E -A 28 0A 149 14,-1.7 14,-2.7 -2,-0.3 4,-0.1 -0.998 19.3-161.7-130.9 133.3 47.2 17.0 18.0 15 15 A L E S+ 0 0 71 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.403 73.7 62.1 -94.5 -0.3 47.2 17.5 21.8 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.937 101.7 -85.4-127.0 142.9 46.7 21.2 21.8 17 17 A I E + 0 0 17 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.214 59.6 168.4 -45.9 130.0 43.7 23.2 20.4 18 18 A Y E -A 26 0A 22 8,-3.1 8,-3.2 -4,-0.1 2,-0.4 -0.884 36.9-104.8-139.6 171.4 44.2 23.8 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.842 34.0-140.8-102.2 142.3 42.1 24.9 13.8 20 20 A D > - 0 0 50 4,-1.9 3,-1.7 -2,-0.4 -1,-0.1 -0.121 42.3 -75.2 -91.1-167.9 40.9 22.3 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.752 134.9 47.8 -64.0 -26.8 40.8 22.6 7.4 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.474 122.7-104.1 -90.2 -6.5 37.6 24.8 7.8 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.594 74.4 140.0 94.0 13.9 39.2 27.1 10.4 24 24 A Y - 0 0 80 1,-0.1 -4,-1.9 9,-0.0 -1,-0.3 -0.765 60.8-100.8 -98.5 140.0 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 32 9,-0.6 8,-2.7 11,-0.4 9,-1.2 -0.320 54.1 163.0 -59.3 128.7 38.7 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-3.1 6,-0.3 2,-0.3 -0.884 18.4-168.5-143.9 158.2 39.5 21.3 17.1 27 27 A I E > - B 0 31A 0 4,-1.9 4,-2.1 -2,-0.3 -12,-0.2 -0.983 52.0 -0.4-146.7 160.8 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.7 -2,-0.3 2,-0.9 -0.397 123.3 -3.5 72.4-133.3 42.9 15.4 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.659 128.3 -54.6-101.8 73.7 41.8 13.1 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-0.9 -19,-0.3 -2,-0.2 0.810 83.7 161.5 64.4 33.0 39.6 15.5 14.7 31 31 A H E < -B 27 0A 29 -4,-2.1 -4,-1.9 2,-0.0 2,-0.3 -0.763 32.2-144.7 -88.5 105.4 37.4 16.3 17.7 32 32 A L E -B 26 0A 78 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.492 18.2-175.7 -71.8 126.4 35.6 19.5 16.7 33 33 A L E - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.888 58.9 -26.0 -90.1 -46.4 35.1 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.965 36.4-136.9-166.0 151.2 33.1 24.6 18.4 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.480 73.6 111.7 -88.4 -7.2 32.4 26.6 15.2 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.415 74.0-129.8 -69.0 139.5 32.6 29.9 17.1 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.494 78.4 104.5 -64.2 -4.2 35.6 32.2 16.4 38 38 A S > - 0 0 45 1,-0.2 4,-1.6 2,-0.0 -2,-0.1 -0.689 55.6-163.2 -92.8 124.7 36.3 32.5 20.1 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.779 96.1 57.9 -71.2 -24.0 39.3 30.5 21.5 40 40 A N H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 104.2 50.5 -69.7 -42.4 37.7 31.1 24.9 41 41 A A H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 110.5 51.1 -57.2 -40.7 34.6 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.912 109.7 48.8 -60.4 -50.0 36.8 26.4 22.5 43 43 A K H X S+ 0 0 52 -4,-2.1 4,-2.7 1,-0.2 11,-0.2 0.889 111.6 49.1 -61.2 -41.8 38.6 26.1 25.8 44 44 A S H X S+ 0 0 72 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.873 111.3 49.2 -69.0 -34.7 35.4 26.1 27.7 45 45 A E H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 112.3 50.2 -67.3 -40.3 34.0 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 5,-0.3 0.890 108.7 50.4 -61.5 -44.5 37.2 21.4 25.8 47 47 A D H X>S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 5,-1.3 0.930 112.1 47.8 -59.7 -46.7 37.0 21.6 29.6 48 48 A K H <5S+ 0 0 145 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.879 112.2 49.9 -57.3 -45.9 33.4 20.4 29.5 49 49 A A H <5S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.814 120.1 34.5 -65.1 -36.7 34.3 17.5 27.1 50 50 A I H <5S- 0 0 35 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.691 104.0-124.9 -95.2 -26.3 37.2 16.3 29.3 51 51 A G T <5S+ 0 0 66 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.810 76.6 66.5 84.7 32.1 35.8 17.1 32.7 52 52 A R S - 0 0 10 -2,-0.8 3,-1.0 -11,-0.2 -1,-0.2 0.758 33.1-144.3 -97.6 -27.2 42.6 21.8 30.6 55 55 A N T 3 S- 0 0 114 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.935 75.3 -58.3 47.6 49.1 44.0 25.2 29.5 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.506 117.4 102.0 67.9 10.3 43.8 23.9 25.9 57 57 A V B < +C 16 0B 69 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.990 44.0 179.0-125.7 139.0 46.0 20.9 26.3 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.856 26.7-112.3-131.7 160.5 45.0 17.2 26.7 59 59 A T > - 0 0 67 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.538 32.3-106.2 -88.9 165.7 46.9 14.0 27.1 60 60 A K H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.870 120.7 53.9 -51.1 -47.3 47.0 11.2 24.6 61 61 A D H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 109.8 48.8 -56.0 -43.4 44.7 9.0 26.7 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.847 108.9 52.0 -65.6 -36.3 42.2 11.8 26.7 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -34,-0.4 0.896 111.4 48.3 -70.5 -34.5 42.4 12.3 22.9 64 64 A E H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.809 107.6 53.8 -75.1 -28.7 41.8 8.6 22.5 65 65 A K H X S+ 0 0 144 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.941 110.2 47.1 -70.7 -44.3 38.8 8.6 24.8 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 112.2 52.6 -52.9 -46.5 37.2 11.5 22.8 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.945 107.4 50.3 -56.9 -54.2 38.1 9.5 19.6 68 68 A N H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.893 112.7 46.6 -48.6 -49.0 36.3 6.4 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.870 112.6 50.5 -63.3 -37.4 33.2 8.4 21.7 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.889 110.9 47.2 -74.4 -38.3 33.2 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.937 114.4 47.9 -65.9 -47.7 33.5 6.9 16.4 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.935 111.8 50.4 -52.5 -51.3 30.8 5.4 18.5 73 73 A A H X S+ 0 0 44 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.897 109.0 51.1 -59.0 -40.4 28.6 8.5 17.9 74 74 A A H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.922 111.3 47.8 -65.4 -41.5 29.1 8.4 14.1 75 75 A V H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.956 112.8 48.6 -59.7 -48.8 28.1 4.7 14.0 76 76 A R H X S+ 0 0 116 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.880 109.4 53.5 -64.2 -35.8 25.0 5.4 16.2 77 77 A G H < S+ 0 0 5 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.884 109.1 48.0 -62.8 -44.1 24.1 8.4 13.9 78 78 A I H >< S+ 0 0 2 -4,-2.1 3,-1.5 1,-0.2 7,-0.5 0.967 112.5 49.5 -55.3 -53.5 24.2 6.2 10.8 79 79 A L H 3< S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.729 113.2 45.6 -66.4 -23.1 22.1 3.5 12.4 80 80 A R T 3< S+ 0 0 166 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.451 92.9 94.5 -95.2 -4.4 19.4 6.0 13.6 81 81 A N <> - 0 0 22 -3,-1.5 4,-2.7 -4,-0.5 -4,-0.0 -0.810 66.2-149.3 -97.6 123.1 19.2 7.8 10.3 82 82 A A T 4 S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.786 98.2 42.2 -57.6 -32.5 16.4 6.6 7.9 83 83 A K T > S+ 0 0 148 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.841 119.7 40.5 -85.9 -34.4 18.5 7.6 4.8 84 84 A L H > S+ 0 0 7 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.883 103.6 65.4 -80.5 -39.9 21.9 6.3 6.0 85 85 A K H X S+ 0 0 87 -4,-2.7 4,-2.7 -7,-0.5 5,-0.3 0.900 98.4 50.2 -57.9 -49.6 21.0 3.0 7.7 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.877 113.5 48.5 -57.0 -35.8 19.7 1.1 4.6 87 87 A V H X S+ 0 0 5 -4,-0.5 4,-0.8 -3,-0.4 -2,-0.2 0.928 112.1 47.3 -67.2 -48.9 22.9 2.0 2.7 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.898 109.1 53.6 -58.0 -47.7 25.2 0.9 5.6 89 89 A D H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.8 53.3 -58.6 -29.9 23.3 -2.4 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.683 96.7 86.5 -81.7 -16.9 23.8 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.0 31,-0.0 -4,-0.8 2,-0.0 -0.448 76.5-115.1 -87.8 156.1 27.6 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.239 43.1 -92.6 -76.0 176.1 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.826 121.8 48.4 -67.6 -38.6 32.8 -4.3 6.2 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-1.4 2,-0.2 3,-0.5 0.944 114.2 45.0 -65.6 -46.4 35.4 -2.2 4.4 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.860 105.5 62.3 -75.4 -27.6 33.0 0.1 2.7 96 96 A R H 3X S+ 0 0 79 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.905 100.3 55.0 -52.2 -40.1 31.1 0.4 6.0 97 97 A A H S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.862 128.1 54.0 -65.5 -34.9 25.0 12.7 9.5 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.911 109.1 48.6 -66.1 -42.8 23.1 15.5 8.0 110 110 A G H >4 S+ 0 0 32 -4,-0.5 3,-1.0 2,-0.2 4,-0.2 0.945 113.0 45.5 -61.9 -50.6 25.9 16.2 5.5 111 111 A V H >< S+ 0 0 5 -4,-2.3 3,-2.6 1,-0.3 -2,-0.2 0.945 105.6 61.0 -62.2 -43.3 26.3 12.6 4.4 112 112 A A H 3< S+ 0 0 19 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.719 94.9 65.6 -54.9 -24.2 22.5 12.2 4.1 113 113 A G T << S+ 0 0 60 -3,-1.0 2,-0.5 -4,-0.9 3,-0.3 0.491 77.4 83.8 -73.3 -5.1 22.6 15.0 1.4 114 114 A F <> + 0 0 37 -3,-2.6 4,-2.5 -4,-0.2 3,-0.4 -0.209 57.8 153.4 -90.2 45.3 24.6 12.8 -0.9 115 115 A T H > + 0 0 89 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.822 66.5 44.6 -42.9 -50.5 21.3 11.3 -2.0 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.875 113.8 48.9 -67.4 -42.1 22.4 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.891 109.2 54.0 -63.0 -43.7 25.7 8.7 -4.3 118 118 A L H X S+ 0 0 19 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.915 107.9 49.9 -59.1 -43.8 23.9 6.7 -1.5 119 119 A R H X S+ 0 0 123 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.940 112.1 47.1 -60.1 -46.4 21.5 5.2 -4.1 120 120 A M H X>S+ 0 0 27 -4,-1.9 5,-2.5 2,-0.2 4,-0.5 0.902 112.4 50.1 -65.7 -37.7 24.5 4.2 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.950 109.5 50.9 -63.0 -47.1 26.3 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.7 47.8 -56.2 -37.0 23.1 0.8 -2.3 123 123 A Q H 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.489 113.6-120.8 -83.3 -5.5 22.9 -0.6 -5.9 124 124 A K T <<5 + 0 0 96 -3,-1.4 2,-1.4 -4,-0.5 -3,-0.2 0.753 61.7 149.1 66.8 33.5 26.6 -1.5 -5.8 125 125 A R >< + 0 0 119 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.636 19.0 172.4 -92.6 75.4 27.4 0.7 -8.8 126 126 A W H > + 0 0 52 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.837 68.3 46.1 -62.5 -44.5 30.9 1.4 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 116.2 47.6 -68.9 -41.1 32.5 3.2 -10.4 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 110.4 50.6 -63.2 -45.9 29.4 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.891 109.5 52.3 -55.4 -44.1 29.2 6.2 -7.0 130 130 A A H X S+ 0 0 10 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.881 109.1 48.4 -65.0 -40.2 32.9 7.2 -7.0 131 131 A V H X S+ 0 0 92 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.919 115.9 44.3 -65.5 -42.7 32.4 9.6 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.878 108.0 57.4 -72.0 -37.8 29.3 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.847 103.0 56.8 -58.2 -33.7 31.0 11.4 -4.7 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.8 -5,-0.2 -1,-0.2 0.683 85.4 80.0 -75.3 -19.5 33.8 13.5 -6.3 135 135 A K S << S+ 0 0 158 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 -0.607 81.4 100.3 -84.7 74.3 31.3 16.1 -7.6 136 136 A S S > S- 0 0 19 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.992 85.0-118.2-158.0 150.0 31.2 17.8 -4.2 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-3.2 1,-0.2 5,-0.4 0.922 116.4 62.3 -55.8 -41.9 32.5 20.6 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.909 105.8 42.0 -46.7 -53.8 33.9 17.9 0.1 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 115.6 50.5 -64.9 -42.0 36.1 16.5 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 116.0 40.4 -70.5 -33.0 37.2 20.0 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 132.3 21.7 -82.2 -36.3 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.1 4,-2.4 -5,-0.4 -1,-0.2 -0.552 72.9 160.5-130.0 68.2 39.9 18.1 0.9 143 143 A P H > S+ 0 0 47 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.867 70.8 51.1 -60.2 -42.5 40.9 16.1 -2.3 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.906 116.6 39.9 -67.7 -42.9 43.5 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 116.6 50.7 -66.6 -47.2 41.3 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.914 107.3 54.2 -60.6 -42.4 38.3 12.4 -0.2 147 147 A K H X S+ 0 0 96 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.880 108.6 49.1 -56.5 -40.7 40.2 10.4 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.4 4,-1.5 2,-0.2 12,-0.2 0.908 114.6 44.7 -66.5 -39.2 41.2 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.929 113.8 49.2 -70.8 -44.9 37.6 7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.896 108.8 53.1 -61.5 -43.3 36.2 7.3 -2.5 151 151 A T H X S+ 0 0 34 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.844 106.7 54.2 -57.0 -37.9 38.8 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.910 110.6 44.2 -64.1 -43.6 37.6 2.6 -0.4 153 153 A F H < S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.804 116.7 49.0 -69.6 -29.4 34.0 2.7 -1.6 154 154 A R H < S+ 0 0 109 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.905 125.3 22.6 -79.8 -39.4 35.1 1.9 -5.2 155 155 A T H < S- 0 0 43 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.705 85.3-135.6-102.8 -26.9 37.4 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.721 72.6 102.1 71.8 18.6 36.2 -2.4 -1.2 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.784 80.6-119.0-126.0 174.3 39.8 -2.7 -0.1 158 158 A W S > S+ 0 0 44 -2,-0.2 3,-2.5 1,-0.2 4,-0.5 0.227 72.8 120.2 -95.1 14.2 42.2 -0.8 2.2 159 159 A D G > + 0 0 94 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.802 67.6 57.2 -51.4 -36.8 44.6 -0.0 -0.7 160 160 A A G 3 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.675 109.1 49.7 -70.9 -12.4 44.4 3.8 -0.4 161 161 A Y G < 0 0 19 -3,-2.5 -1,-0.2 -13,-0.1 -2,-0.2 0.433 360.0 360.0-106.6 -3.0 45.5 3.4 3.2 162 162 A K < 0 0 182 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.782 360.0 360.0-106.6 360.0 48.6 1.2 2.7