==== 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 2B6T . 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) . 8667.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.5 43.2 -1.9 9.0 2 2 A N > - 0 0 66 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.918 360.0 -81.5-150.8 177.9 39.9 -0.8 10.6 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.842 125.4 52.1 -55.5 -36.8 37.8 2.4 11.1 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 112.7 41.9 -67.0 -49.2 39.9 3.6 14.0 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.862 114.9 54.3 -64.5 -36.7 43.3 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.4 0.971 111.9 41.4 -62.3 -55.1 41.6 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.820 109.9 59.1 -65.4 -30.4 40.3 7.9 10.8 8 8 A R H X S+ 0 0 102 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.868 109.0 45.0 -63.4 -37.2 43.6 8.2 12.7 9 9 A I H < S+ 0 0 84 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.935 117.7 44.3 -66.4 -47.3 45.4 8.5 9.3 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.798 125.0 30.5 -70.5 -30.4 42.8 10.9 8.0 11 11 A E H < S- 0 0 46 -4,-2.5 19,-0.3 -5,-0.2 -1,-0.2 0.726 90.5-152.1-103.6 -25.6 42.5 13.2 11.0 12 12 A G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.306 25.1 -90.3 76.9-172.7 46.0 13.0 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.947 42.4 172.3-139.1 119.7 46.5 13.5 16.4 14 14 A R E -A 28 0A 149 14,-1.9 14,-2.4 -2,-0.3 4,-0.1 -0.999 18.7-161.2-129.1 135.7 47.1 16.9 18.0 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.441 74.5 59.8 -94.5 -5.6 47.2 17.4 21.8 16 16 A K E S-C 57 0B 91 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.926 102.8 -83.0-123.2 148.4 46.6 21.1 21.8 17 17 A I E + 0 0 19 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.211 58.9 169.5 -49.8 132.1 43.7 23.1 20.4 18 18 A Y E -A 26 0A 24 8,-2.9 8,-2.8 -4,-0.1 2,-0.4 -0.849 37.1-102.1-138.4 170.1 44.1 23.6 16.6 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.875 35.0-140.2 -97.9 135.2 42.1 24.8 13.7 20 20 A D > - 0 0 47 4,-2.4 3,-1.7 -2,-0.4 -1,-0.1 -0.004 42.8 -77.1 -79.8-168.3 40.7 22.1 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.722 135.1 49.6 -70.4 -20.6 40.6 22.4 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.444 123.3-104.0 -92.7 -3.9 37.6 24.7 7.8 23 23 A G S < S+ 0 0 39 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.628 74.8 140.9 90.1 15.5 39.3 27.0 10.4 24 24 A Y - 0 0 76 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.775 60.8-102.3 -99.2 138.0 37.3 25.6 13.3 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-2.5 11,-0.4 9,-1.3 -0.307 54.7 161.5 -56.3 128.3 38.7 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-2.9 6,-0.3 2,-0.3 -0.889 19.6-162.9-144.6 161.4 39.3 21.2 17.1 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.3 -2,-0.3 2,-0.2 -0.979 51.5 -2.3-145.0 160.8 41.4 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.9 -0.403 124.0 -3.1 73.4-131.1 42.7 15.3 19.4 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.689 129.5 -53.7-101.0 72.3 41.8 13.1 16.5 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.823 83.5 161.8 64.7 31.0 39.5 15.5 14.7 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-2.0 2,-0.0 -1,-0.2 -0.753 32.1-144.0 -85.3 103.0 37.3 16.2 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.452 19.4-176.9 -68.6 129.7 35.5 19.5 16.7 33 33 A L E - 0 0 15 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.887 59.2 -27.2 -93.0 -50.3 35.0 21.7 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.958 36.2-136.8-165.3 151.0 33.1 24.7 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.463 73.9 111.2 -89.8 -3.8 32.5 26.6 15.1 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.444 74.4-129.7 -72.2 141.9 32.7 29.9 17.0 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.370 77.9 105.0 -74.0 6.3 35.8 32.1 16.3 38 38 A S > - 0 0 48 1,-0.1 4,-1.8 -13,-0.0 -2,-0.1 -0.790 56.8-161.0 -98.9 121.6 36.5 32.4 20.0 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.808 95.8 57.8 -67.9 -28.0 39.3 30.5 21.5 40 40 A N H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 103.7 51.0 -69.6 -37.4 37.7 31.0 24.9 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 111.4 49.8 -61.2 -42.4 34.6 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.923 109.7 49.4 -58.7 -49.6 36.8 26.4 22.4 43 43 A K H X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 11,-0.3 0.885 111.9 48.9 -61.0 -39.4 38.6 26.1 25.7 44 44 A S H X S+ 0 0 70 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.890 111.2 48.6 -71.0 -40.6 35.3 26.0 27.6 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.891 112.0 52.3 -61.6 -39.9 33.9 23.3 25.3 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.895 107.5 48.8 -63.1 -44.0 37.1 21.4 25.8 47 47 A D H X>S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 5,-1.1 0.905 112.9 49.0 -62.8 -40.2 36.9 21.5 29.6 48 48 A K H <5S+ 0 0 146 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.880 111.5 49.7 -63.1 -41.9 33.3 20.3 29.5 49 49 A A H <5S+ 0 0 42 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 121.1 33.5 -66.5 -38.2 34.2 17.5 27.1 50 50 A I H <5S- 0 0 39 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.733 102.7-127.4 -90.2 -28.2 37.1 16.2 29.2 51 51 A G T <5S+ 0 0 65 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.750 76.5 72.4 82.4 26.0 35.6 17.1 32.7 52 52 A R S - 0 0 11 -2,-0.9 3,-0.9 -11,-0.3 -1,-0.2 0.775 32.2-146.0 -94.6 -30.5 42.6 21.7 30.6 55 55 A N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.903 75.9 -55.2 50.2 44.9 43.8 25.1 29.4 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.478 118.7 99.5 80.0 4.8 43.7 23.9 25.8 57 57 A V B < +C 16 0B 70 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.984 43.7 176.8-127.8 137.2 45.9 20.8 26.3 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.847 28.5-108.8-129.5 166.6 44.9 17.2 26.7 59 59 A T > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.456 32.1-107.4 -90.5 172.6 46.7 13.9 27.1 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 121.0 52.6 -64.9 -43.0 46.9 11.1 24.5 61 61 A D H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 110.4 49.6 -56.9 -43.9 44.5 8.9 26.5 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 109.9 50.1 -62.7 -42.1 42.0 11.8 26.7 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.906 111.7 49.2 -62.0 -41.8 42.3 12.3 22.9 64 64 A E H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.825 107.4 54.7 -70.2 -30.4 41.7 8.6 22.3 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.940 109.5 45.7 -66.6 -48.2 38.7 8.6 24.7 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.902 111.7 54.5 -55.6 -42.6 37.0 11.4 22.7 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.928 106.8 49.5 -60.0 -47.8 37.9 9.5 19.5 68 68 A N H X S+ 0 0 88 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.893 113.2 47.6 -56.2 -43.6 36.1 6.4 20.7 69 69 A Q H X S+ 0 0 91 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.886 112.4 49.0 -65.4 -40.3 33.0 8.4 21.6 70 70 A D H X S+ 0 0 33 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.858 111.5 47.7 -72.9 -37.4 33.0 10.2 18.2 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.945 114.0 48.4 -65.1 -45.4 33.4 6.9 16.3 72 72 A D H X S+ 0 0 87 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.930 112.4 48.6 -57.7 -48.7 30.6 5.4 18.4 73 73 A A H X S+ 0 0 41 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.883 109.0 52.9 -60.8 -40.6 28.4 8.5 17.8 74 74 A A H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.948 111.3 45.9 -60.9 -48.0 29.1 8.5 14.0 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 113.8 49.5 -58.8 -47.2 27.9 4.8 13.8 76 76 A R H X S+ 0 0 117 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.889 107.8 54.0 -62.1 -39.3 24.9 5.6 16.0 77 77 A G H X S+ 0 0 3 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.892 109.7 48.0 -60.7 -42.9 24.1 8.6 13.7 78 78 A I H >< S+ 0 0 2 -4,-2.2 3,-1.4 2,-0.2 7,-0.5 0.958 112.2 47.9 -58.3 -52.4 24.1 6.3 10.7 79 79 A L H 3< S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.831 113.3 48.5 -66.3 -27.9 21.9 3.6 12.3 80 80 A R H 3< S+ 0 0 164 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.552 93.8 91.5 -83.4 -10.8 19.4 6.2 13.5 81 81 A N S+ 0 0 7 -6,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.847 102.4 66.2 -87.9 -39.3 21.8 6.3 5.9 85 85 A K H X S+ 0 0 89 -4,-2.9 4,-2.7 -7,-0.5 5,-0.3 0.930 99.9 47.9 -56.3 -52.6 20.8 3.1 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.880 114.4 48.2 -62.9 -30.0 19.6 1.0 4.7 87 87 A V H > S+ 0 0 7 -4,-0.5 4,-0.9 -3,-0.2 3,-0.3 0.934 112.5 47.7 -67.2 -47.4 22.7 1.9 2.7 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.930 110.1 52.4 -61.0 -45.4 25.1 1.1 5.5 89 89 A D H 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.2 54.6 -62.1 -27.7 23.3 -2.3 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.697 95.8 87.8 -76.9 -23.6 23.7 -3.1 2.4 91 91 A L S << S- 0 0 4 -3,-1.0 31,-0.0 -4,-0.9 2,-0.0 -0.456 77.3-116.9 -81.5 151.8 27.5 -2.6 2.5 92 92 A D > - 0 0 57 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.222 44.7 -90.5 -72.4 173.8 30.3 -5.0 3.3 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.824 122.5 48.2 -62.8 -39.6 32.6 -4.3 6.2 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.3 62,-0.2 3,-0.5 0.946 112.9 46.8 -70.0 -46.8 35.3 -2.3 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.830 104.9 62.1 -67.5 -28.3 32.8 0.0 2.7 96 96 A R H X S+ 0 0 80 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.893 100.1 54.9 -58.7 -38.1 30.9 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.2 4,-2.6 -3,-0.5 -2,-0.2 0.886 104.9 52.7 -62.2 -39.9 34.2 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.882 108.1 51.1 -60.8 -41.8 34.1 4.5 4.4 99 99 A A H X S+ 0 0 15 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.912 110.7 47.9 -61.9 -43.9 30.5 5.5 5.3 100 100 A I H X S+ 0 0 9 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.934 108.1 56.0 -61.4 -44.9 31.5 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 108.3 47.8 -51.8 -51.1 34.5 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.915 113.2 46.6 -57.0 -47.6 32.2 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.922 110.9 53.4 -62.9 -44.2 29.7 10.9 8.8 104 104 A F H < S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.7 40.1 -53.6 -46.4 32.6 11.5 11.2 105 105 A Q H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 134.4 14.1 -74.6 -44.9 34.0 14.3 9.0 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.477 103.4-112.4-120.9 -0.4 30.8 16.0 7.9 107 107 A G H X - 0 0 33 -4,-2.9 4,-2.1 -5,-0.4 5,-0.2 0.106 35.2 -77.4 86.9 159.6 28.0 14.8 10.1 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.829 127.8 52.0 -67.5 -33.3 24.9 12.7 9.5 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.930 108.8 50.5 -68.0 -47.9 23.0 15.6 7.8 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-1.1 2,-0.2 -2,-0.2 0.956 114.3 43.4 -51.9 -54.6 25.8 16.4 5.4 111 111 A V H >< S+ 0 0 6 -4,-2.1 3,-3.1 1,-0.3 -2,-0.2 0.938 105.2 61.1 -63.0 -46.3 26.1 12.7 4.3 112 112 A A H 3< S+ 0 0 16 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.723 95.5 67.5 -52.5 -20.8 22.4 12.2 4.0 113 113 A G T << S+ 0 0 56 -3,-1.1 2,-0.9 -4,-0.9 -1,-0.3 0.505 75.3 83.4 -74.9 -7.0 22.6 14.9 1.4 114 114 A F <> + 0 0 36 -3,-3.1 4,-2.6 1,-0.2 5,-0.2 -0.280 57.4 154.4 -89.3 51.8 24.5 12.7 -1.0 115 115 A T H > + 0 0 87 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.841 67.9 44.2 -50.5 -49.0 21.2 11.2 -2.1 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 114.6 48.4 -66.1 -44.0 22.3 10.1 -5.6 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.870 109.4 53.8 -61.0 -43.2 25.6 8.6 -4.3 118 118 A L H X S+ 0 0 18 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.887 108.5 49.6 -60.8 -42.8 23.8 6.7 -1.5 119 119 A R H X S+ 0 0 129 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.934 111.9 47.2 -61.8 -47.6 21.5 5.2 -4.1 120 120 A M H <>S+ 0 0 34 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.879 112.2 50.6 -62.8 -37.2 24.4 4.1 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.951 109.0 51.0 -65.7 -46.1 26.2 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.3 47.1 -55.9 -38.2 23.0 0.7 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.430 113.1-121.9 -81.7 -3.0 22.8 -0.7 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.6 2,-1.3 -4,-0.3 -3,-0.2 0.799 61.4 148.3 60.2 35.2 26.6 -1.5 -5.8 125 125 A R >< + 0 0 118 -5,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.671 20.4 172.1 -92.4 76.3 27.3 0.6 -8.8 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.859 67.1 46.5 -64.2 -46.1 30.8 1.4 -7.4 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 115.7 48.0 -66.9 -39.2 32.4 3.2 -10.3 128 128 A E H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.891 110.9 49.7 -66.6 -40.8 29.4 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.900 109.0 53.9 -61.4 -42.8 29.1 6.2 -7.0 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.906 109.3 47.0 -58.9 -47.8 32.8 7.1 -7.0 131 131 A V H X S+ 0 0 89 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.925 115.5 46.0 -58.1 -47.7 32.3 9.6 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.901 107.4 56.5 -66.2 -41.4 29.2 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.2 -1,-0.2 0.821 103.3 56.7 -56.7 -34.6 30.9 11.4 -4.7 134 134 A A H 3< S+ 0 0 25 -4,-1.2 2,-1.5 -3,-0.3 -1,-0.2 0.597 85.8 79.6 -75.7 -18.5 33.7 13.5 -6.2 135 135 A K S << S+ 0 0 159 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.608 81.5 99.4 -86.4 71.4 31.4 16.1 -7.6 136 136 A S S > S- 0 0 18 -2,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.987 86.0-116.9-155.7 150.0 31.1 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 0.914 116.5 63.8 -55.8 -41.4 32.5 20.6 -2.1 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.918 105.9 40.7 -45.0 -57.1 33.8 17.8 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.8 50.4 -62.9 -43.8 36.1 16.5 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.829 115.9 41.0 -69.6 -29.8 37.1 19.9 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 132.8 20.8 -85.3 -36.6 38.1 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.576 73.0 160.4-129.3 69.0 39.8 18.0 0.9 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 70.8 52.2 -63.5 -39.0 40.7 16.1 -2.3 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.936 116.5 38.8 -66.5 -45.4 43.4 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.932 117.0 50.5 -65.3 -50.0 41.3 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.909 108.0 54.0 -57.6 -43.5 38.1 12.3 -0.1 147 147 A K H X S+ 0 0 101 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.892 108.2 49.8 -55.5 -43.8 40.0 10.3 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.4 2,-0.2 12,-0.2 0.913 114.5 44.1 -61.9 -43.4 41.1 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 114.4 49.0 -68.6 -44.5 37.5 7.4 1.1 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.906 109.0 53.0 -62.5 -43.0 36.1 7.2 -2.4 151 151 A T H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 6,-0.4 0.842 107.0 53.9 -59.4 -33.4 38.7 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.920 111.1 43.9 -69.9 -42.8 37.5 2.6 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 115.4 50.8 -67.0 -36.3 33.9 2.7 -1.6 154 154 A R H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.908 125.7 21.0 -68.2 -43.0 35.0 1.9 -5.2 155 155 A T H < S- 0 0 41 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.651 85.5-134.8-103.6 -23.0 37.1 -1.1 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.765 73.8 102.6 64.8 25.2 36.0 -2.4 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.803 80.5-119.9-129.8 173.6 39.7 -2.8 -0.1 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.5 1,-0.2 4,-0.7 0.188 71.2 121.5 -98.0 15.1 42.1 -0.8 2.1 159 159 A D G >4 + 0 0 93 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.804 68.5 57.6 -50.8 -38.4 44.5 -0.1 -0.8 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.689 110.1 46.7 -69.0 -14.1 44.3 3.7 -0.4 161 161 A Y G <4 0 0 18 -3,-2.5 -1,-0.2 -13,-0.1 -2,-0.2 0.542 360.0 360.0-106.8 -7.5 45.4 3.4 3.2 162 162 A K << 0 0 177 -4,-0.7 -3,-0.1 -3,-0.7 -2,-0.1 0.790 360.0 360.0-101.3 360.0 48.4 1.0 2.8