==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-02 1LLH . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.SAGERMANN,L.-G.MARTENSSON,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8764.0 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 . 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 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 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 144.7 43.3 -1.9 9.2 2 2 A N > - 0 0 70 95,-0.0 4,-2.6 1,-0.0 5,-0.2 -0.906 360.0 -81.9-152.3 175.3 40.1 -0.7 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.846 124.5 51.4 -54.9 -37.6 38.0 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 112.8 42.7 -68.7 -47.1 40.2 3.7 14.2 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.851 113.9 54.8 -64.8 -36.6 43.4 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.2 0.953 112.1 40.6 -62.1 -51.7 41.8 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.809 108.2 61.0 -68.3 -30.9 40.6 7.9 11.0 8 8 A R H X S+ 0 0 96 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.882 108.3 46.9 -65.1 -30.0 43.8 8.3 12.9 9 9 A I H < S+ 0 0 85 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.952 115.3 43.6 -73.4 -47.4 45.5 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.803 125.6 30.8 -68.0 -34.1 43.1 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.6 19,-0.3 -5,-0.2 -1,-0.2 0.708 91.1-153.9 -99.5 -26.2 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.211 25.9 -84.3 76.9-174.7 46.2 13.0 12.8 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.959 43.1 171.3-139.2 118.3 46.7 13.6 16.6 14 14 A R E -A 28 0A 143 14,-1.8 14,-2.3 -2,-0.4 4,-0.1 -0.994 19.1-163.3-127.3 130.5 47.2 17.0 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.454 73.9 63.8 -91.6 -2.8 47.2 17.5 22.0 16 16 A K E S-C 57 0B 113 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.906 99.6 -86.4-121.9 148.2 46.7 21.2 21.8 17 17 A I E + 0 0 8 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.252 59.0 168.3 -51.9 137.4 43.8 23.2 20.6 18 18 A Y E -A 26 0A 26 8,-3.1 8,-3.0 -4,-0.1 2,-0.4 -0.859 36.4-102.9-143.0 175.8 44.1 23.8 16.9 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.893 33.9-141.1-105.7 132.6 42.2 25.0 13.8 20 20 A D > - 0 0 49 4,-2.6 3,-2.2 -2,-0.4 -1,-0.0 -0.105 41.9 -79.3 -80.8-175.6 40.9 22.5 11.3 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.782 135.5 48.5 -54.6 -29.9 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.474 121.7-106.7 -89.5 -4.5 37.8 25.0 7.9 23 23 A G S < S+ 0 0 36 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.613 74.2 139.0 88.7 14.7 39.4 27.2 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.734 61.5 -99.5 -94.7 146.6 37.3 25.7 13.5 25 25 A Y E +AB 19 34A 32 9,-0.8 8,-2.7 11,-0.4 9,-1.4 -0.446 55.4 157.0 -68.6 126.7 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.1 6,-0.3 2,-0.3 -0.876 19.2-167.9-142.8 167.5 39.4 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 2,-0.2 -0.975 51.5 3.6-156.7 163.1 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.8 -2,-0.3 2,-0.8 -0.406 122.9 -5.8 66.8-126.7 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.638 128.1 -51.4-106.5 72.1 41.8 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.1 -19,-0.3 -2,-0.2 0.702 84.5 159.2 73.0 22.2 39.5 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.6 1,-0.0 2,-0.3 -0.648 32.4-145.8 -84.7 100.2 37.4 16.4 17.8 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.444 17.3-176.2 -64.7 124.4 35.6 19.6 16.9 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.889 60.2 -25.1 -89.7 -45.3 35.2 21.8 19.9 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.3 -0.943 34.5-139.1-168.2 149.5 33.1 24.7 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.530 76.2 107.3 -88.6 -7.5 32.3 26.5 15.2 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.352 75.6-126.2 -72.1 153.8 32.5 29.8 17.1 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.565 75.4 100.5 -77.7 -13.1 35.4 32.2 16.6 38 38 A S > - 0 0 57 1,-0.2 4,-1.7 -13,-0.0 5,-0.1 -0.675 57.5-155.7 -86.5 129.8 36.5 32.6 20.3 39 39 A L H > S+ 0 0 71 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.825 99.0 58.4 -64.1 -30.0 39.4 30.7 21.7 40 40 A N H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.948 102.5 49.9 -65.2 -49.0 37.7 31.2 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 110.9 52.0 -57.5 -34.9 34.5 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.917 107.4 50.8 -68.7 -42.5 36.7 26.6 22.7 43 43 A K H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 11,-0.2 0.904 109.9 51.5 -62.2 -36.2 38.5 26.3 26.0 44 44 A S H X S+ 0 0 72 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.929 109.7 48.2 -65.7 -44.3 35.2 26.2 27.8 45 45 A E H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.910 111.2 52.5 -61.4 -43.9 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.927 108.4 48.0 -57.0 -52.5 37.3 21.5 26.1 47 47 A D H X>S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 5,-1.6 0.906 112.9 49.9 -58.7 -40.0 37.1 21.6 29.9 48 48 A K H <5S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.837 110.6 48.8 -66.5 -38.5 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 121.2 35.3 -71.6 -34.6 34.3 17.5 27.4 50 50 A I H <5S- 0 0 32 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.702 104.3-124.8 -91.3 -27.5 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.820 75.7 66.6 85.9 30.9 35.8 17.2 32.9 52 52 A R S - 0 0 9 -2,-0.8 3,-1.1 -11,-0.2 -1,-0.2 0.693 35.2-143.1 -96.6 -31.6 42.8 21.8 30.8 55 55 A N T 3 S- 0 0 131 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.829 74.8 -57.5 66.5 26.8 44.0 25.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.573 117.3 103.2 80.5 10.9 43.8 23.9 26.2 57 57 A V B < +C 16 0B 71 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.987 44.4 180.0-129.1 134.4 46.0 20.9 26.6 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.824 26.0-110.4-125.9 169.1 45.1 17.3 26.9 59 59 A T > - 0 0 63 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.548 31.6-110.3 -94.7 161.9 46.8 14.0 27.4 60 60 A K H > S+ 0 0 103 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.844 120.4 52.4 -58.9 -37.5 47.0 11.2 24.8 61 61 A D H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.911 109.0 49.7 -65.4 -42.3 44.7 9.1 26.8 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.922 110.3 50.9 -63.2 -40.8 42.2 11.9 26.9 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -34,-0.4 0.915 109.6 50.4 -61.7 -42.7 42.4 12.3 23.2 64 64 A E H X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.832 108.5 52.3 -65.5 -32.5 41.8 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.936 108.4 49.0 -69.3 -45.8 38.8 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.901 111.1 54.3 -56.9 -37.7 37.3 11.6 23.0 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.935 105.6 48.8 -64.3 -48.0 38.0 9.6 19.9 68 68 A N H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.905 112.2 50.4 -59.0 -41.2 36.2 6.4 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 110.3 49.6 -63.1 -43.4 33.2 8.4 21.9 70 70 A D H X S+ 0 0 36 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.855 111.5 48.0 -63.9 -37.8 33.2 10.2 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.949 111.8 50.1 -68.7 -46.1 33.5 6.9 16.6 72 72 A D H X S+ 0 0 103 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.932 110.5 50.3 -54.8 -48.2 30.7 5.4 18.7 73 73 A A H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.864 108.2 51.8 -59.7 -42.1 28.5 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.941 111.2 47.4 -62.3 -46.3 29.1 8.4 14.3 75 75 A V H X S+ 0 0 30 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.965 113.9 46.9 -58.5 -50.3 28.1 4.7 14.1 76 76 A R H X S+ 0 0 164 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.893 109.6 54.6 -61.4 -37.0 25.1 5.3 16.2 77 77 A G H X S+ 0 0 5 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.934 108.7 48.8 -60.7 -44.7 24.2 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 7,-0.5 0.948 110.8 50.6 -58.8 -46.7 24.3 6.2 11.0 79 79 A L H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.764 111.1 48.2 -66.0 -26.8 22.2 3.5 12.6 80 80 A R H 3< S+ 0 0 171 -4,-1.8 2,-0.6 -3,-0.2 -1,-0.3 0.596 92.4 93.5 -88.7 -14.2 19.5 6.0 13.7 81 81 A N > S+ 0 0 0 -7,-0.2 4,-2.4 -3,-0.2 3,-0.7 0.891 101.3 66.4 -84.6 -45.6 21.9 6.1 6.1 85 85 A K H 3X S+ 0 0 88 -4,-3.1 4,-2.8 -7,-0.5 5,-0.2 0.857 99.0 51.7 -45.2 -49.8 21.0 2.9 7.8 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.867 111.8 47.8 -62.1 -32.5 19.9 1.1 4.7 87 87 A V H <> S+ 0 0 1 -3,-0.7 4,-0.9 -4,-0.5 3,-0.4 0.955 112.0 47.5 -71.8 -48.4 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.910 109.6 54.3 -58.3 -44.2 25.3 0.9 5.8 89 89 A D H 3< S+ 0 0 69 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.838 106.9 52.6 -62.0 -30.4 23.5 -2.4 6.2 90 90 A S H 3< S+ 0 0 40 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.652 95.8 88.8 -81.1 -14.3 24.0 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-1.0 2,-0.1 -4,-0.9 31,-0.0 -0.480 75.5-116.4 -88.7 158.9 27.8 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.288 44.6 -93.4 -78.1 170.4 30.7 -5.0 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.847 121.2 49.3 -59.8 -41.1 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 14 1,-0.2 4,-1.4 62,-0.2 3,-0.3 0.949 112.4 47.7 -66.9 -43.6 35.6 -2.3 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.813 104.2 61.6 -66.8 -26.4 33.1 0.0 2.8 96 96 A R H X S+ 0 0 77 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.915 100.6 54.5 -64.8 -37.0 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.901 104.4 54.7 -62.4 -39.0 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.887 108.7 47.3 -61.8 -39.9 34.4 4.4 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.899 109.8 52.8 -69.4 -38.7 30.9 5.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.946 105.5 55.9 -61.1 -42.6 31.7 6.0 8.8 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.926 107.2 48.8 -53.9 -48.7 34.7 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 5,-0.4 0.916 111.3 49.3 -59.7 -43.8 32.5 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.921 109.0 52.9 -64.1 -39.6 30.0 10.8 8.8 104 104 A F H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.927 116.6 39.9 -60.3 -42.7 32.8 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 0.900 133.3 15.6 -73.7 -50.2 34.1 14.3 9.0 106 106 A M H X S- 0 0 55 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.506 103.2-115.8-111.8 -2.4 30.9 16.0 7.8 107 107 A G H X - 0 0 29 -4,-2.3 4,-2.6 -5,-0.4 5,-0.3 0.141 31.5 -76.6 84.1 156.0 28.2 14.8 10.0 108 108 A E H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 129.7 48.0 -52.1 -54.0 25.0 12.7 9.6 109 109 A T H > S+ 0 0 125 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.932 110.1 54.2 -56.5 -48.6 23.1 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.918 114.7 36.6 -55.9 -52.3 25.9 16.3 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-3.0 1,-0.2 -1,-0.2 0.900 105.7 65.6 -74.8 -33.1 26.4 12.9 4.2 112 112 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 93.8 67.4 -56.9 -19.8 22.7 12.0 4.2 113 113 A G T << S+ 0 0 57 -4,-1.0 2,-1.1 -3,-0.6 -1,-0.3 0.493 73.8 88.3 -76.8 -5.1 22.5 14.8 1.6 114 114 A F <> + 0 0 40 -3,-3.0 4,-2.6 1,-0.2 5,-0.2 -0.361 54.3 158.7 -90.7 55.1 24.6 12.8 -0.9 115 115 A T H > + 0 0 88 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.827 66.7 44.3 -45.2 -54.7 21.4 11.3 -2.2 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.894 114.8 47.7 -63.0 -44.4 22.6 10.2 -5.6 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.875 110.0 54.1 -63.1 -40.2 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 107.6 49.8 -60.1 -47.4 24.1 6.9 -1.6 119 119 A R H X S+ 0 0 101 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.933 110.8 49.4 -59.1 -45.0 21.8 5.3 -4.1 120 120 A M H <>S+ 0 0 32 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.916 110.8 49.9 -62.1 -42.2 24.7 4.2 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.928 108.8 52.6 -61.4 -43.6 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.6 48.0 -61.2 -32.6 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.488 113.9-120.1 -85.2 -3.7 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.6 2,-1.1 -4,-0.4 -3,-0.2 0.833 61.9 148.1 66.1 34.6 26.8 -1.5 -5.7 125 125 A R >< + 0 0 119 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.709 19.7 173.7 -98.6 73.0 27.7 0.7 -8.7 126 126 A W H > + 0 0 50 -2,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.891 69.4 43.2 -51.4 -56.9 31.2 1.4 -7.4 127 127 A D H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 115.5 49.6 -63.6 -39.1 32.7 3.2 -10.3 128 128 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 110.7 49.8 -66.8 -41.2 29.6 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.916 106.7 57.0 -61.0 -41.8 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.925 108.5 45.8 -57.9 -44.3 33.1 7.2 -7.2 131 131 A V H X S+ 0 0 89 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.918 113.5 48.0 -68.9 -38.4 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.926 107.8 55.4 -66.2 -41.1 29.4 11.1 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.830 101.6 59.6 -59.8 -32.2 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.7 -5,-0.2 -1,-0.3 0.643 84.8 80.5 -72.5 -15.9 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 166 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.538 81.0 101.2 -89.9 67.7 31.5 16.1 -7.7 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.992 83.7-119.4-151.7 156.2 31.4 17.8 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 115.1 60.6 -59.6 -41.1 32.6 20.6 -2.3 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 8,-0.2 0.917 105.5 44.6 -49.6 -53.9 34.1 17.9 -0.0 139 139 A Y H 4 S+ 0 0 68 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 115.8 48.0 -61.0 -44.5 36.4 16.5 -2.8 140 140 A N H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.837 116.9 41.5 -67.3 -35.0 37.4 19.9 -3.9 141 141 A Q H < S+ 0 0 112 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 132.0 21.0 -82.7 -38.6 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 -0.548 74.4 162.3-130.0 69.8 40.0 18.0 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.814 68.7 50.7 -59.7 -42.6 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.927 115.3 42.5 -68.2 -40.5 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 113.0 53.8 -68.9 -43.0 41.4 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.938 106.2 52.4 -58.0 -43.3 38.5 12.4 -0.4 147 147 A K H X S+ 0 0 88 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.887 107.8 52.9 -58.4 -40.7 40.4 10.3 -2.9 148 148 A R H X S+ 0 0 72 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.928 114.1 40.8 -59.8 -47.2 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.906 115.7 50.2 -67.6 -43.6 37.8 7.4 0.9 150 150 A I H X S+ 0 0 11 -4,-3.3 4,-2.7 -5,-0.2 -2,-0.2 0.929 109.5 51.3 -62.3 -43.5 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-3.0 4,-2.2 -5,-0.3 6,-0.3 0.861 107.6 53.7 -61.1 -34.9 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.905 109.9 46.7 -68.8 -40.0 38.0 2.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.4 49.8 -65.9 -39.2 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.888 124.1 24.2 -67.4 -39.9 35.5 1.8 -5.3 155 155 A T H < S- 0 0 56 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.668 83.4-137.5-103.8 -23.1 37.7 -1.1 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.671 72.9 98.9 73.5 12.0 36.5 -2.6 -1.2 157 157 A I S S- 0 0 79 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.804 78.3-120.0-126.2 171.7 40.2 -3.0 -0.0 158 158 A W S >> S+ 0 0 47 -2,-0.2 3,-2.4 1,-0.2 4,-0.7 0.254 71.6 116.6 -96.0 11.4 42.5 -0.9 2.2 159 159 A D G >4 + 0 0 101 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.795 66.9 63.0 -53.4 -33.4 45.2 -0.2 -0.3 160 160 A A G 34 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.652 109.7 43.2 -66.7 -13.5 44.7 3.6 -0.3 161 161 A Y G <4 0 0 19 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.470 360.0 360.0-108.2 -7.5 45.7 3.5 3.4 162 162 A K << 0 0 180 -3,-0.9 -3,-0.0 -4,-0.7 0, 0.0 -0.434 360.0 360.0 -93.4 360.0 48.7 1.1 3.1