==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-00 1G0M . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 1 1 0 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 68 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.3 43.6 -1.8 9.0 2 2 A N > - 0 0 71 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.940 360.0 -84.5-154.8 174.2 40.4 -0.7 10.8 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.837 123.4 51.5 -55.0 -40.0 38.3 2.4 11.4 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 113.4 42.7 -67.9 -43.5 40.4 3.7 14.2 5 5 A E H > S+ 0 0 97 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.890 113.6 54.4 -67.0 -37.5 43.7 3.5 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.967 111.6 42.4 -60.6 -53.1 42.0 4.9 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.836 109.3 59.2 -65.3 -31.8 40.7 8.0 11.0 8 8 A R H X S+ 0 0 102 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.908 108.0 46.6 -65.8 -37.1 44.0 8.4 12.9 9 9 A I H < S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.944 115.8 44.7 -67.1 -44.6 45.8 8.7 9.6 10 10 A D H < S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 126.3 27.4 -70.5 -35.6 43.2 11.2 8.2 11 11 A E H < S- 0 0 46 -4,-2.5 19,-0.3 -5,-0.2 -1,-0.2 0.668 91.4-153.6-101.5 -21.7 42.9 13.4 11.2 12 12 A G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.1 -0.123 26.0 -85.1 73.0-174.1 46.3 13.1 12.9 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 43.0 171.2-137.0 120.3 46.7 13.7 16.6 14 14 A R E -A 28 0A 150 14,-1.6 14,-1.8 -2,-0.4 4,-0.1 -0.987 18.1-162.7-128.8 135.1 47.3 17.2 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.379 74.1 63.1 -97.9 0.3 47.2 17.6 22.1 16 16 A K E S-C 57 0B 92 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.913 102.5 -84.5-122.4 151.1 46.8 21.4 22.0 17 17 A I E + 0 0 16 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.282 58.6 169.1 -53.9 134.5 43.8 23.2 20.6 18 18 A Y E -A 26 0A 24 8,-3.0 8,-3.1 -4,-0.1 2,-0.5 -0.842 35.4-102.5-140.4 175.1 44.2 23.8 16.8 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.888 33.2-139.1-105.4 133.1 42.2 24.9 13.9 20 20 A D > - 0 0 50 4,-2.6 3,-1.8 -2,-0.5 -1,-0.1 -0.001 42.1 -79.4 -75.5-173.1 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.747 134.2 47.4 -61.8 -25.8 40.7 22.7 7.7 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.348 123.1-103.2 -94.3 -1.0 37.6 25.0 7.9 23 23 A G S < S+ 0 0 33 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.590 74.5 140.1 89.3 16.2 39.2 27.1 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.752 60.5-100.3 -97.9 147.3 37.2 25.7 13.6 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-2.7 11,-0.4 9,-1.4 -0.365 54.8 161.0 -63.0 129.7 38.7 25.0 17.0 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-3.0 6,-0.3 2,-0.3 -0.896 18.6-168.1-144.1 164.7 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.2 -2,-0.3 -12,-0.2 -0.985 50.8 4.1-152.3 165.2 41.6 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-1.8 -14,-1.6 -2,-0.3 2,-1.1 -0.384 122.9 -6.1 67.0-136.6 42.9 15.5 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.638 128.7 -52.5 -97.9 73.4 42.0 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.1 2,-1.0 -19,-0.3 -2,-0.2 0.786 84.1 161.6 68.2 26.3 39.7 15.5 14.9 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.8 1,-0.0 -1,-0.2 -0.667 32.2-142.6 -82.6 102.7 37.4 16.3 17.8 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.415 21.2-179.7 -66.2 133.3 35.5 19.5 16.9 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.863 58.3 -21.6 -99.0 -48.3 35.1 21.8 19.8 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.979 33.2-142.9-162.9 153.4 33.2 24.7 18.5 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.594 73.9 111.5 -93.6 -13.8 32.4 26.6 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.263 73.3-132.1 -60.7 143.3 32.6 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.543 76.3 102.0 -76.0 -4.7 35.4 32.1 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 -13,-0.0 5,-0.1 -0.712 57.9-157.7 -92.2 125.4 36.3 32.5 20.2 39 39 A L H > S+ 0 0 62 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.853 97.0 57.1 -60.2 -33.9 39.2 30.7 21.8 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.950 103.9 48.6 -66.9 -44.5 37.6 31.1 25.1 41 41 A A H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 112.0 53.0 -60.4 -36.1 34.4 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.904 108.5 48.0 -64.1 -41.4 36.7 26.7 22.7 43 43 A K H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 11,-0.2 0.910 110.2 52.8 -68.7 -37.3 38.5 26.3 26.0 44 44 A S H X S+ 0 0 71 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 109.9 47.5 -61.7 -44.4 35.3 26.1 27.8 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.911 110.2 53.6 -64.2 -41.1 34.0 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.4 0.954 108.9 48.4 -58.8 -48.1 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 5,-1.1 0.927 111.7 48.9 -60.7 -40.7 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.7 50.1 -67.5 -33.7 33.4 20.4 29.8 49 49 A A H <5S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.902 119.9 34.7 -71.4 -37.4 34.3 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.719 103.1-125.6 -88.2 -31.7 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 -5,-0.4 -3,-0.2 0.821 75.2 75.4 89.3 30.3 35.9 17.1 32.9 52 52 A R S - 0 0 2 -2,-0.9 3,-1.1 -11,-0.2 -1,-0.2 0.683 33.0-137.6 -91.2 -22.9 42.6 22.1 31.1 55 55 A N T 3 S- 0 0 111 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.694 71.3 -72.0 75.0 9.4 44.7 25.0 30.0 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.6 -13,-0.2 2,-0.4 0.488 114.1 99.7 79.1 -0.5 43.9 24.0 26.3 57 57 A V B < -C 16 0B 58 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.968 48.5-177.9-121.8 135.8 46.2 21.0 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.801 25.8-107.5-124.9 169.2 45.2 17.3 27.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.458 31.9-106.7 -91.5 170.3 47.0 14.1 27.4 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 121.5 53.1 -60.6 -41.6 47.2 11.2 24.9 61 61 A D H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 108.8 48.2 -61.3 -43.9 44.9 9.2 27.0 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 110.4 52.9 -65.9 -40.2 42.3 11.9 27.1 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -34,-0.4 0.896 109.5 48.6 -62.6 -38.0 42.6 12.3 23.3 64 64 A E H X S+ 0 0 84 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.836 108.3 53.6 -69.7 -33.5 42.0 8.6 22.8 65 65 A K H X S+ 0 0 136 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.928 109.5 46.5 -69.5 -41.7 39.0 8.6 25.1 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.878 111.7 54.9 -64.7 -34.6 37.4 11.5 23.1 67 67 A F H X S+ 0 0 11 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.972 106.9 48.7 -61.0 -52.4 38.3 9.5 19.9 68 68 A N H X S+ 0 0 89 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.921 112.8 48.3 -52.9 -46.0 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.912 111.1 51.1 -61.2 -43.4 33.4 8.3 22.0 70 70 A D H X S+ 0 0 34 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.889 110.3 47.1 -65.8 -36.6 33.4 10.1 18.7 71 71 A V H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.960 112.8 50.5 -69.4 -44.6 33.7 6.9 16.6 72 72 A D H X S+ 0 0 88 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.950 110.7 49.4 -56.2 -47.4 30.9 5.4 18.7 73 73 A A H X S+ 0 0 48 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.3 0.859 107.4 54.2 -62.3 -34.5 28.8 8.4 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.961 109.8 47.6 -66.5 -43.6 29.4 8.3 14.4 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.954 112.6 47.9 -59.8 -48.4 28.2 4.7 14.2 76 76 A R H X S+ 0 0 110 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.884 107.7 56.8 -63.9 -30.7 25.1 5.4 16.2 77 77 A G H X S+ 0 0 14 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.3 0.909 108.5 46.2 -66.1 -39.6 24.4 8.4 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.0 -3,-0.3 7,-0.5 0.951 112.1 50.8 -66.9 -47.2 24.4 6.2 11.0 79 79 A L H 3< S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.787 112.2 47.3 -64.0 -26.5 22.2 3.5 12.7 80 80 A R H 3< S+ 0 0 170 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.616 92.7 92.5 -90.7 -13.3 19.7 6.0 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 5,-0.3 0.854 100.6 68.3 -87.7 -40.7 22.0 6.1 6.2 85 85 A K H X S+ 0 0 82 -4,-2.5 4,-2.5 -7,-0.5 5,-0.2 0.900 99.1 49.0 -48.7 -51.0 21.0 3.0 8.0 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.870 112.9 49.7 -62.4 -33.4 19.9 1.1 4.9 87 87 A V H >> S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.2 3,-0.6 0.971 110.7 47.5 -68.6 -50.7 23.1 2.1 3.1 88 88 A Y H >< S+ 0 0 36 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.916 110.0 54.1 -53.3 -45.6 25.3 1.0 5.9 89 89 A D H 3< S+ 0 0 75 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.817 107.0 52.7 -63.1 -27.6 23.4 -2.3 6.2 90 90 A S H << S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.648 95.7 87.2 -83.3 -15.0 23.9 -3.0 2.6 91 91 A L S << S- 0 0 5 -3,-1.0 31,-0.0 -4,-0.9 2,-0.0 -0.510 76.2-115.6 -87.9 159.3 27.7 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.224 44.1 -93.4 -77.8 173.1 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.837 121.7 49.3 -63.5 -35.7 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.958 112.9 46.7 -68.0 -48.1 35.6 -2.3 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.841 103.7 63.1 -64.0 -30.0 33.1 0.0 2.8 96 96 A R H X S+ 0 0 78 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.921 98.7 56.1 -59.2 -39.3 31.3 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.2 4,-2.3 -3,-0.5 -1,-0.2 0.895 103.5 54.3 -59.3 -39.2 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.893 107.6 49.5 -62.0 -38.3 34.4 4.6 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.907 109.3 51.3 -69.3 -38.4 30.9 5.6 5.4 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.920 107.1 55.3 -61.8 -41.0 31.8 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.949 107.4 48.4 -55.6 -48.2 34.8 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.901 112.5 48.1 -61.8 -40.8 32.5 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.919 108.8 54.1 -68.1 -37.9 30.1 10.9 8.9 104 104 A F H < S+ 0 0 30 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.9 41.0 -60.4 -39.0 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.894 133.3 15.1 -75.6 -43.9 34.1 14.4 9.1 106 106 A M H X S- 0 0 56 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.508 102.3-112.2-116.7 -2.6 30.9 16.0 8.1 107 107 A G H X - 0 0 29 -4,-2.5 4,-2.5 -5,-0.4 5,-0.2 0.083 33.1 -79.9 89.5 156.1 28.2 14.8 10.3 108 108 A E H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 127.7 51.5 -60.8 -46.7 25.2 12.7 9.8 109 109 A T H > S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.935 109.2 50.7 -58.6 -45.6 23.2 15.5 8.4 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.9 1,-0.2 -2,-0.2 0.950 114.4 42.0 -58.3 -53.8 25.9 16.3 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.8 1,-0.3 -1,-0.2 0.892 105.3 63.0 -62.8 -40.7 26.3 12.8 4.6 112 112 A A H 3< S+ 0 0 10 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.771 94.5 67.3 -55.6 -22.2 22.6 12.1 4.6 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.8 -3,-0.9 -1,-0.3 0.584 72.6 88.8 -75.2 -12.2 22.5 14.9 2.0 114 114 A F <> + 0 0 39 -3,-2.8 4,-2.9 1,-0.2 5,-0.3 -0.273 55.6 159.8 -83.0 55.9 24.4 12.8 -0.6 115 115 A T H > + 0 0 90 -2,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.848 66.5 40.8 -46.2 -55.8 21.2 11.4 -1.9 116 116 A N H > S+ 0 0 79 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.881 115.5 51.1 -65.6 -38.4 22.2 10.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.919 108.7 52.7 -62.4 -43.8 25.5 8.9 -4.1 118 118 A L H X S+ 0 0 10 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.887 107.2 50.9 -59.6 -41.5 23.9 6.9 -1.4 119 119 A R H X S+ 0 0 120 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.941 110.7 49.9 -65.0 -39.6 21.4 5.3 -3.8 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.877 109.7 50.3 -67.5 -37.5 24.3 4.3 -6.1 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.934 109.3 51.8 -64.6 -42.0 26.2 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.874 110.0 49.1 -61.3 -33.9 23.1 0.8 -2.2 123 123 A Q T 3<5S- 0 0 94 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.518 112.9-121.6 -81.0 -6.6 22.9 -0.4 -5.7 124 124 A K T < 5 + 0 0 99 -3,-1.5 2,-1.2 -4,-0.4 -3,-0.2 0.809 62.6 146.4 69.2 32.3 26.5 -1.4 -5.7 125 125 A R >< + 0 0 114 -5,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.666 21.1 173.5 -98.4 71.9 27.3 0.8 -8.7 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.889 68.4 42.5 -52.6 -53.1 30.8 1.6 -7.4 127 127 A D H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 115.2 50.5 -68.3 -35.1 32.3 3.6 -10.3 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 111.5 48.0 -69.4 -37.7 29.3 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.898 107.3 57.8 -66.5 -35.9 29.1 6.4 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.915 108.0 45.5 -61.9 -40.2 32.7 7.4 -7.1 131 131 A V H X S+ 0 0 90 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.937 114.0 48.8 -70.1 -40.7 32.2 9.9 -9.8 132 132 A N H >< S+ 0 0 37 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.922 107.5 54.1 -65.7 -39.9 29.1 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.3 1,-0.2 -1,-0.2 0.866 102.7 60.4 -62.3 -31.7 30.8 11.6 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.4 2,-1.9 -5,-0.2 -1,-0.2 0.734 85.3 77.2 -69.0 -22.9 33.6 13.6 -6.5 135 135 A K S << S+ 0 0 161 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 -0.527 81.9 99.2 -85.9 71.8 31.2 16.3 -7.6 136 136 A S S > S- 0 0 18 -2,-1.9 4,-1.9 1,-0.1 5,-0.2 -0.995 83.7-117.3-153.8 157.4 31.0 17.9 -4.2 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.912 114.9 62.3 -61.3 -39.3 32.4 20.6 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.941 105.6 44.5 -51.2 -47.8 33.8 17.9 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.912 114.5 48.2 -66.4 -40.8 35.9 16.6 -2.7 140 140 A N H < S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.831 115.8 43.7 -70.3 -29.3 37.1 20.1 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.868 131.6 18.1 -86.6 -40.1 38.0 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 -0.564 74.8 161.0-128.8 72.1 39.8 18.1 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 68.6 52.4 -64.1 -38.5 40.6 16.2 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.926 114.7 42.6 -69.3 -37.6 43.4 13.9 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 115.0 49.8 -70.7 -43.3 41.2 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.897 107.3 55.5 -61.9 -38.3 38.2 12.4 -0.3 147 147 A K H X S+ 0 0 97 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.886 108.2 49.2 -61.4 -38.2 40.2 10.4 -2.9 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.951 113.5 45.0 -66.0 -47.0 41.2 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.905 113.7 49.2 -62.9 -42.4 37.6 7.5 0.9 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.872 105.8 57.7 -64.6 -38.5 36.2 7.2 -2.6 151 151 A T H X S+ 0 0 42 -4,-2.1 4,-2.6 -5,-0.3 6,-0.3 0.878 103.6 53.9 -61.1 -34.2 38.9 4.6 -3.5 152 152 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.930 109.2 47.1 -65.1 -43.8 37.6 2.5 -0.7 153 153 A F H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.1 48.2 -66.3 -32.6 34.1 2.7 -2.1 154 154 A R H < S+ 0 0 109 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.909 127.1 20.5 -73.0 -42.3 35.4 1.9 -5.5 155 155 A T H < S- 0 0 54 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.633 82.7-136.0-104.7 -22.6 37.5 -1.1 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.7 2,-0.3 -5,-0.3 -62,-0.2 0.685 71.7 99.9 71.5 18.6 36.5 -2.5 -1.4 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.2 -0.823 78.2-121.2-128.7 172.5 40.0 -2.9 -0.2 158 158 A W S > S+ 0 0 36 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.238 73.3 117.3 -95.6 10.6 42.3 -0.8 2.2 159 159 A D G > + 0 0 110 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.820 66.3 63.6 -50.1 -36.7 45.0 -0.2 -0.4 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.784 107.7 43.3 -60.7 -27.5 44.4 3.6 -0.3 161 161 A Y G < 0 0 19 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.429 360.0 360.0 -99.7 0.0 45.5 3.6 3.2 162 162 A K < 0 0 161 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.2 0.737 360.0 360.0-108.4 360.0 48.5 1.2 2.8