==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 19-APR-95 188L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.MORTON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 1 0 0 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 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.1 43.4 -2.0 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.957 360.0 -83.5-155.9 174.3 40.2 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.827 124.4 51.2 -51.9 -44.4 38.0 2.4 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 114.0 41.1 -65.9 -42.4 40.2 3.6 14.1 5 5 A E H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.841 114.1 55.2 -70.1 -34.9 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.941 111.8 40.9 -63.2 -52.7 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.834 108.8 61.1 -67.4 -30.0 40.6 7.8 10.9 8 8 A R H X S+ 0 0 96 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.884 108.1 45.2 -63.6 -32.9 43.8 8.2 12.9 9 9 A I H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.938 115.8 45.2 -73.4 -45.0 45.6 8.5 9.5 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 125.2 29.6 -67.8 -34.4 43.0 10.9 8.1 11 11 A E H < S- 0 0 43 -4,-2.8 19,-0.3 -5,-0.2 -1,-0.2 0.684 89.4-153.8-102.1 -23.9 42.8 13.2 11.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.183 26.1 -84.6 74.5-171.2 46.1 13.1 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.2 173.7-141.3 123.0 46.6 13.7 16.5 14 14 A R E -A 28 0A 145 14,-1.8 14,-2.4 -2,-0.4 4,-0.1 -1.000 17.9-164.8-131.9 130.9 47.0 17.1 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.468 74.2 60.0 -92.7 -4.3 47.1 17.7 21.9 16 16 A K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.921 101.6 -85.3-123.7 145.2 46.6 21.4 21.8 17 17 A I E + 0 0 18 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.202 58.5 170.4 -46.2 128.5 43.5 23.3 20.4 18 18 A Y E -A 26 0A 26 8,-3.2 8,-3.2 -4,-0.1 2,-0.5 -0.924 35.9-104.1-136.1 171.8 44.0 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.793 35.1-140.1 -98.5 134.8 42.0 25.0 13.7 20 20 A D > - 0 0 49 4,-2.9 3,-1.6 -2,-0.5 -1,-0.1 -0.011 40.7 -76.4 -77.1-167.0 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.769 135.5 46.6 -63.8 -25.5 40.6 22.6 7.5 22 22 A E T 3 S- 0 0 73 2,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.414 124.1-102.6 -95.3 -2.1 37.5 24.9 7.8 23 23 A G S < S+ 0 0 38 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.568 75.8 140.0 89.0 15.4 39.1 27.1 10.5 24 24 A Y - 0 0 71 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.782 60.1-102.4-100.4 140.1 37.2 25.6 13.4 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-2.9 11,-0.4 9,-1.4 -0.356 54.3 158.5 -61.9 124.9 38.6 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-3.2 6,-0.3 2,-0.3 -0.855 18.1-171.1-140.6 169.8 39.4 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.3 4,-2.2 -2,-0.3 -12,-0.2 -0.977 50.7 9.2-157.4 169.2 41.6 19.0 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-0.8 -0.389 122.8 -8.7 65.5-127.3 42.8 15.5 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.637 127.2 -51.1-108.1 75.1 41.8 13.3 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.745 84.6 158.5 69.1 27.9 39.5 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.2 -4,-1.3 1,-0.0 2,-0.3 -0.655 32.9-145.3 -88.1 105.8 37.3 16.3 17.6 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.498 17.9-176.6 -70.3 131.2 35.5 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.884 58.0 -27.6 -91.7 -45.1 34.9 21.8 19.6 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.956 34.0-136.4-171.9 151.6 33.0 24.6 18.2 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.556 74.9 107.4 -90.5 -14.1 32.2 26.6 15.1 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.316 75.3-130.6 -65.1 147.9 32.4 29.9 16.9 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.461 75.5 106.8 -81.4 -0.7 35.4 32.0 16.3 38 38 A S > - 0 0 49 1,-0.1 4,-2.1 -13,-0.0 5,-0.1 -0.717 55.8-159.1 -87.3 119.3 36.1 32.5 20.0 39 39 A L H > S+ 0 0 63 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.842 96.8 56.6 -61.7 -31.9 39.0 30.6 21.5 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 103.5 50.4 -67.9 -46.2 37.4 31.0 24.8 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 111.9 51.4 -56.3 -40.5 34.2 29.4 23.7 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.912 108.4 48.6 -64.7 -42.5 36.5 26.6 22.5 43 43 A K H X S+ 0 0 49 -4,-2.7 4,-2.5 2,-0.2 11,-0.3 0.885 110.1 53.1 -69.2 -28.9 38.3 26.2 25.8 44 44 A S H X S+ 0 0 75 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 110.3 46.3 -69.7 -42.7 35.0 26.1 27.6 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.916 111.0 54.5 -65.1 -43.0 33.7 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.4 0.969 109.5 45.7 -56.4 -50.4 37.0 21.6 25.8 47 47 A D H X>S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 5,-1.5 0.907 113.2 50.2 -61.6 -38.9 36.7 21.7 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.878 111.5 48.9 -63.2 -40.3 33.1 20.5 29.5 49 49 A A H <5S+ 0 0 44 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.900 120.2 35.2 -65.2 -44.7 34.2 17.6 27.2 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.676 102.8-125.8 -84.1 -28.6 37.1 16.4 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.875 78.1 74.5 80.7 36.2 35.5 17.2 32.7 52 52 A R S - 0 0 8 -2,-1.0 3,-1.0 -11,-0.3 -1,-0.2 0.732 32.8-141.9 -89.7 -26.8 42.4 21.9 30.6 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.833 73.3 -58.1 66.1 29.4 43.8 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.573 119.0 101.1 79.3 5.7 43.5 24.1 25.9 57 57 A V B < +C 16 0B 66 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.981 44.9 177.6-129.2 139.1 45.7 21.1 26.4 58 58 A I - 0 0 4 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.859 27.8-110.2-132.2 166.3 44.8 17.4 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.516 33.0-107.3 -93.0 165.2 46.7 14.1 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 121.7 54.3 -56.4 -38.7 47.0 11.4 24.6 61 61 A D H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 108.0 46.7 -62.7 -45.5 44.6 9.3 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.898 110.9 53.2 -65.0 -39.7 42.0 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.922 109.6 49.0 -57.7 -48.4 42.4 12.4 23.1 64 64 A E H X S+ 0 0 76 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.832 107.1 55.6 -64.2 -28.6 41.8 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.954 107.9 47.4 -69.2 -45.1 38.8 8.9 24.9 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 110.9 54.2 -58.9 -41.5 37.1 11.5 22.8 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.940 105.7 50.3 -61.2 -49.2 37.9 9.5 19.7 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.909 113.2 46.3 -55.8 -43.5 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.877 111.5 52.6 -67.0 -36.6 33.1 8.3 21.9 70 70 A D H X S+ 0 0 38 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.878 109.9 46.7 -70.0 -36.6 33.1 10.0 18.5 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.971 114.5 47.1 -66.9 -50.1 33.4 6.8 16.5 72 72 A D H X S+ 0 0 85 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.945 111.3 50.3 -56.0 -47.1 30.7 5.1 18.5 73 73 A A H X S+ 0 0 42 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.883 109.0 54.4 -61.3 -35.2 28.5 8.1 18.2 74 74 A A H X S+ 0 0 9 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.960 109.0 45.7 -62.5 -52.0 29.1 8.2 14.5 75 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.932 114.0 50.0 -54.5 -51.3 28.0 4.6 14.0 76 76 A R H X S+ 0 0 106 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.915 107.1 53.8 -60.4 -40.9 25.0 5.1 16.2 77 77 A G H X S+ 0 0 1 -4,-2.8 4,-0.5 -5,-0.2 3,-0.3 0.915 109.6 48.4 -57.0 -44.5 24.0 8.2 14.2 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.5 1,-0.2 7,-0.6 0.955 110.3 51.1 -59.4 -49.0 24.1 6.2 11.0 79 79 A L H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.722 111.0 48.8 -63.5 -23.4 22.0 3.4 12.5 80 80 A R H 3< S+ 0 0 173 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.3 0.412 92.9 94.4 -92.9 -9.8 19.4 5.9 13.7 81 81 A N > S+ 0 0 15 -6,-0.2 4,-2.3 -7,-0.1 3,-0.8 0.890 100.3 66.4 -92.5 -48.6 21.4 6.1 6.1 85 85 A K H 3X S+ 0 0 89 -4,-3.0 4,-3.0 -7,-0.6 5,-0.3 0.876 98.5 53.5 -46.1 -50.0 20.9 2.9 7.8 86 86 A P H 3> S+ 0 0 58 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.882 112.0 45.4 -63.4 -30.3 19.6 1.0 4.9 87 87 A V H <> S+ 0 0 10 -3,-0.8 4,-0.8 -4,-0.3 3,-0.3 0.925 113.4 49.6 -73.2 -42.7 22.6 1.9 2.8 88 88 A Y H >< S+ 0 0 27 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.902 107.8 53.8 -63.6 -39.3 25.0 1.1 5.5 89 89 A D H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.804 103.7 57.8 -66.2 -26.6 23.4 -2.2 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.704 93.8 90.6 -76.3 -20.9 23.8 -3.1 2.5 91 91 A L S << S- 0 0 8 -3,-0.9 2,-0.1 -4,-0.8 31,-0.0 -0.400 75.9-116.9 -82.5 157.7 27.6 -2.6 2.6 92 92 A D > - 0 0 55 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.277 43.9 -95.2 -73.6 169.0 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.881 121.6 50.1 -61.5 -39.9 32.7 -4.2 6.3 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.5 1,-0.2 3,-0.4 0.948 112.3 46.7 -67.0 -44.4 35.4 -2.3 4.5 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 105.5 60.4 -68.4 -32.1 32.9 0.0 2.8 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.885 100.9 55.8 -57.9 -37.3 31.1 0.6 6.1 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.917 105.1 51.3 -62.6 -39.8 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.901 109.3 51.3 -61.6 -37.2 34.3 4.5 4.5 99 99 A A H X S+ 0 0 18 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.897 109.5 49.3 -65.8 -42.2 30.7 5.5 5.4 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.910 106.4 56.5 -63.9 -43.1 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.935 108.5 47.8 -57.0 -43.4 34.7 8.2 7.9 102 102 A M H X S+ 0 0 12 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.931 112.1 47.0 -66.0 -42.9 32.5 10.5 6.0 103 103 A V H X S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.918 112.1 52.6 -66.1 -38.3 29.9 10.9 8.8 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 115.2 40.9 -61.8 -41.9 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 52 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.897 133.6 15.7 -74.3 -42.1 34.2 14.2 9.1 106 106 A M H X S- 0 0 44 -4,-2.9 4,-0.8 -5,-0.2 -3,-0.2 0.505 97.3-121.8-118.2 -1.7 31.1 15.9 8.0 107 107 A G H X - 0 0 29 -4,-2.9 4,-1.3 -5,-0.3 3,-0.4 0.053 39.9 -73.1 79.7 162.6 28.2 14.9 10.2 108 108 A E H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.730 134.0 53.5 -61.7 -29.2 25.0 13.3 9.3 109 109 A T H >4 S+ 0 0 128 2,-0.2 3,-0.6 -3,-0.2 4,-0.3 0.726 102.2 53.5 -79.6 -33.1 23.9 16.6 7.8 110 110 A G H >< S+ 0 0 31 -4,-0.8 3,-0.6 -3,-0.4 -2,-0.2 0.813 109.0 51.9 -72.5 -28.4 26.9 17.1 5.6 111 111 A V G >< S+ 0 0 9 -4,-1.3 3,-1.0 1,-0.2 -1,-0.2 0.417 85.9 88.5 -88.7 1.1 26.2 13.7 4.1 112 112 A A G X S+ 0 0 65 -3,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.772 81.0 58.0 -66.9 -32.5 22.6 14.7 3.5 113 113 A G G < S+ 0 0 72 -3,-0.6 3,-0.4 -4,-0.3 -1,-0.2 0.514 86.8 80.7 -79.6 -4.0 23.4 16.2 0.0 114 114 A F G X> + 0 0 24 -3,-1.0 4,-3.0 1,-0.2 3,-0.6 0.053 50.8 128.0 -90.5 19.5 24.8 12.8 -1.2 115 115 A T H <> S+ 0 0 84 -3,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.846 73.8 46.5 -41.1 -53.9 21.5 11.3 -2.0 116 116 A N H 3> S+ 0 0 88 -3,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.844 113.0 48.9 -64.3 -34.1 22.4 10.3 -5.5 117 117 A S H <> S+ 0 0 0 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.922 109.6 54.0 -70.4 -41.9 25.7 8.8 -4.4 118 118 A L H X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.905 106.6 50.5 -54.8 -47.5 23.9 6.9 -1.6 119 119 A R H X S+ 0 0 118 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.918 110.5 50.3 -62.1 -35.9 21.6 5.4 -4.1 120 120 A M H <>S+ 0 0 27 -4,-1.5 5,-2.2 1,-0.2 4,-0.3 0.904 109.8 50.2 -68.5 -40.8 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 6 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.937 107.7 53.5 -62.5 -42.6 26.2 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.876 109.7 47.8 -59.8 -37.5 23.1 0.8 -2.4 123 123 A Q T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.454 113.4-122.2 -82.9 -2.6 22.9 -0.6 -5.9 124 124 A K T < 5 + 0 0 97 -3,-1.7 2,-1.5 -4,-0.3 -3,-0.2 0.753 59.1 150.1 66.3 36.9 26.6 -1.5 -5.8 125 125 A R >< + 0 0 123 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.709 20.1 176.2 -96.9 82.3 27.5 0.5 -8.8 126 126 A W H > + 0 0 48 -2,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.887 68.2 43.9 -60.6 -52.5 31.0 1.2 -7.6 127 127 A D H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.933 116.2 51.3 -64.1 -34.4 32.7 3.1 -10.4 128 128 A E H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 109.2 46.7 -66.7 -46.5 29.6 5.2 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.917 109.0 58.1 -61.1 -41.8 29.3 6.2 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.906 108.7 45.2 -57.9 -40.6 33.0 7.0 -7.1 131 131 A V H X S+ 0 0 91 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.919 113.7 48.3 -72.2 -39.2 32.5 9.4 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.920 106.9 56.3 -67.6 -38.9 29.4 11.0 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.866 100.3 60.7 -60.1 -30.6 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.9 -5,-0.2 -1,-0.2 0.700 85.0 79.7 -71.8 -18.8 33.9 13.4 -6.5 135 135 A K S << S+ 0 0 158 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.541 80.1 97.7 -86.3 71.2 31.5 16.0 -7.7 136 136 A S S > S- 0 0 16 -2,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.994 84.5-116.7-153.7 157.8 31.3 17.7 -4.3 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.873 115.1 62.5 -60.8 -38.0 32.6 20.5 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.929 104.7 45.2 -50.8 -47.3 34.1 17.8 -0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.4 48.7 -68.9 -40.1 36.2 16.5 -2.8 140 140 A N H < S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 116.4 41.2 -70.9 -32.1 37.4 19.9 -3.8 141 141 A Q H < S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 131.1 22.3 -82.6 -39.8 38.3 21.1 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.599 73.7 160.8-129.1 69.6 39.9 18.0 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 68.1 51.5 -62.1 -44.3 41.0 16.2 -2.1 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.940 116.5 40.5 -64.5 -41.7 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 113.1 54.9 -67.5 -46.9 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -8,-0.2 5,-0.3 0.937 107.4 51.2 -52.1 -46.3 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 91 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.886 107.9 51.3 -61.5 -38.7 40.3 10.2 -2.8 148 148 A R H X S+ 0 0 66 -4,-1.5 4,-1.4 2,-0.2 12,-0.2 0.920 114.2 43.3 -62.5 -45.2 41.3 7.7 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 114.9 50.2 -66.9 -42.9 37.7 7.3 1.0 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.914 108.5 51.6 -60.7 -45.6 36.4 7.2 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.7 4,-2.7 -5,-0.3 6,-0.4 0.864 108.2 54.1 -60.5 -35.4 39.0 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.905 110.5 43.7 -65.3 -44.1 37.8 2.6 -0.6 153 153 A F H < S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.1 49.7 -69.4 -35.1 34.2 2.7 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.900 123.5 27.0 -67.7 -43.6 35.3 1.9 -5.2 155 155 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.645 84.3-136.5 -97.7 -22.7 37.4 -1.1 -4.3 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.2 1,-0.3 -62,-0.2 0.677 75.5 101.0 69.2 17.1 36.1 -2.5 -1.2 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.812 80.6-121.3-127.1 169.7 39.8 -2.8 -0.1 158 158 A W S > S+ 0 0 39 -2,-0.2 3,-1.9 1,-0.2 4,-0.4 0.179 71.0 121.4 -97.5 18.8 42.2 -0.8 2.2 159 159 A D G > + 0 0 97 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.846 67.5 57.9 -51.6 -40.7 44.7 -0.1 -0.6 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.695 107.5 51.3 -62.2 -21.8 44.5 3.7 -0.4 161 161 A Y G < 0 0 19 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.443 360.0 360.0 -99.2 1.9 45.5 3.3 3.2 162 162 A K < 0 0 179 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.840 360.0 360.0-102.5 360.0 48.6 1.1 2.7