==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CU0 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 13 8.0 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 0 1 1 2 0 0 1 1 0 0 0 0 0 0 2 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.2 43.0 -2.1 9.5 2 2 A N > - 0 0 71 1,-0.0 4,-3.2 156,-0.0 5,-0.2 -0.922 360.0 -77.5-154.4-177.6 39.8 -0.7 10.9 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.862 122.0 52.4 -57.9 -45.3 37.8 2.4 11.4 4 4 A F H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.965 116.1 40.5 -58.8 -47.1 39.7 3.7 14.3 5 5 A E H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 114.0 53.2 -65.6 -43.8 43.0 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.927 115.0 40.2 -61.0 -44.9 41.5 4.6 9.3 7 7 A L H X S+ 0 0 0 -4,-3.4 4,-2.0 -5,-0.2 5,-0.4 0.856 109.2 59.6 -76.2 -30.5 40.1 7.7 11.1 8 8 A R H X S+ 0 0 101 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.915 108.1 48.9 -61.5 -31.6 43.3 8.1 13.1 9 9 A I H < S+ 0 0 88 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.942 115.1 40.4 -70.9 -46.2 45.1 8.4 9.7 10 10 A D H < S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 125.4 35.5 -70.8 -31.1 42.7 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.0 19,-0.3 1,-0.2 -1,-0.2 0.663 91.4-155.0 -99.0 -35.7 42.2 13.1 11.2 12 12 A G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.2 -0.349 24.5 -87.6 84.2-168.3 45.6 13.0 12.9 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -2,-0.1 16,-0.2 -0.960 41.2 177.6-147.9 118.6 46.0 13.5 16.6 14 14 A R E -A 28 0A 139 14,-1.5 14,-3.1 -2,-0.3 4,-0.1 -0.980 18.4-165.7-132.1 126.7 46.5 16.8 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-1.8 12,-0.2 2,-0.4 0.506 74.7 60.9 -85.7 -4.9 46.8 17.5 21.9 16 16 A K E S-C 57 0B 98 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.893 100.0 -89.7-124.8 143.8 46.3 21.2 21.8 17 17 A I E + 0 0 12 39,-2.3 2,-0.3 -2,-0.4 10,-0.2 -0.310 57.7 169.6 -47.6 140.0 43.2 23.0 20.6 18 18 A Y E -A 26 0A 22 8,-2.6 8,-3.8 -4,-0.1 2,-0.4 -0.907 35.7-102.7-147.4 170.1 43.5 23.7 16.8 19 19 A K E -A 25 0A 116 -2,-0.3 6,-0.3 6,-0.3 13,-0.0 -0.857 35.8-131.7 -99.0 139.1 41.5 24.9 13.9 20 20 A D > - 0 0 49 4,-3.6 3,-1.7 -2,-0.4 -1,-0.1 0.030 40.1 -83.6 -77.0-170.4 40.3 22.4 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.722 137.3 49.1 -69.0 -15.4 40.6 22.6 7.7 22 22 A E T 3 S- 0 0 88 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.476 124.3-106.1 -95.2 -9.7 37.4 24.7 7.9 23 23 A G S < S+ 0 0 30 -3,-1.7 2,-0.3 1,-0.4 -2,-0.1 0.566 73.0 140.2 94.8 11.7 38.9 26.9 10.7 24 24 A Y - 0 0 80 1,-0.1 -4,-3.6 9,-0.0 -1,-0.4 -0.729 62.4-100.5 -90.4 148.2 36.9 25.4 13.5 25 25 A Y E +AB 19 34A 31 9,-0.8 8,-3.4 11,-0.5 9,-1.7 -0.479 55.6 162.9 -66.2 121.8 38.2 24.7 16.9 26 26 A T E -AB 18 32A 3 -8,-3.8 -8,-2.6 -2,-0.3 2,-0.3 -0.845 16.3-173.3-136.6 162.5 39.0 21.1 17.1 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.1 -2,-0.3 2,-0.2 -0.997 50.3 4.4-155.4 163.2 41.1 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-3.1 -14,-1.5 -2,-0.3 2,-0.9 -0.464 123.6 -6.1 71.7-134.8 42.3 15.3 19.6 29 29 A I T 4 S- 0 0 3 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.581 129.2 -52.9-101.8 68.9 41.4 13.0 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.2 -19,-0.3 -2,-0.2 0.753 84.4 162.9 72.2 33.0 39.2 15.3 14.8 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-1.6 1,-0.1 -1,-0.2 -0.642 31.6-142.5 -87.9 100.8 37.0 16.2 17.7 32 32 A L E -B 26 0A 68 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.223 21.3-179.9 -58.3 132.3 35.2 19.3 16.8 33 33 A L E - 0 0 14 -8,-3.4 2,-0.3 1,-0.3 -7,-0.2 0.905 58.0 -16.9-100.2 -44.1 34.8 21.5 19.7 34 34 A T E -B 25 0A 26 -9,-1.7 -9,-0.8 2,-0.1 -1,-0.3 -0.989 32.9-142.5-158.7 150.6 32.9 24.5 18.4 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.534 74.7 114.6 -88.1 -3.2 31.9 26.4 15.3 36 36 A S S S- 0 0 41 2,-0.1 -11,-0.5 1,-0.1 -2,-0.1 -0.386 70.9-137.2 -74.0 148.1 32.5 29.5 17.3 37 37 A P S S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.538 78.2 99.7 -77.1 -13.1 35.1 32.0 16.6 38 38 A S > - 0 0 53 1,-0.1 4,-1.6 -13,-0.0 -2,-0.1 -0.731 56.0-163.8 -91.4 120.5 35.8 32.2 20.2 39 39 A L H > S+ 0 0 62 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.768 95.5 57.5 -69.4 -23.0 38.7 30.3 21.7 40 40 A N H > S+ 0 0 119 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.970 104.4 50.7 -72.4 -44.1 37.2 30.9 25.1 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.855 112.5 47.1 -53.8 -42.3 34.1 29.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 -1,-0.2 0.884 109.8 52.5 -71.0 -39.5 36.3 26.3 22.7 43 43 A K H X S+ 0 0 51 -4,-2.8 4,-2.4 1,-0.2 11,-0.2 0.932 112.8 46.7 -63.9 -35.7 38.2 26.2 26.0 44 44 A S H X S+ 0 0 68 -4,-3.3 4,-2.7 2,-0.2 5,-0.2 0.959 111.5 47.0 -67.7 -53.4 34.9 26.0 27.7 45 45 A E H X S+ 0 0 66 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.935 112.1 56.2 -57.9 -37.5 33.4 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.944 108.1 43.9 -59.1 -51.2 36.8 21.5 26.0 47 47 A D H X>S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 5,-1.5 0.868 112.3 52.9 -61.6 -37.7 36.6 21.5 29.8 48 48 A K H <5S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.932 110.2 49.0 -62.4 -44.3 33.0 20.4 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.869 119.8 36.6 -61.1 -36.9 34.0 17.5 27.4 50 50 A I H <5S- 0 0 34 -4,-2.0 -1,-0.2 2,-0.3 -2,-0.2 0.634 100.3-128.1 -92.7 -28.2 36.9 16.4 29.7 51 51 A G T <5S+ 0 0 66 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.824 77.8 79.5 80.7 30.3 35.5 17.1 33.0 52 52 A R S - 0 0 10 -2,-0.8 3,-0.8 -11,-0.2 -1,-0.2 0.759 33.5-141.6 -96.5 -35.3 42.3 21.7 30.8 55 55 A N T 3 S- 0 0 128 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.748 73.0 -58.6 73.6 22.7 43.7 25.0 29.6 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-2.3 -13,-0.2 2,-0.4 0.444 118.3 95.5 85.6 7.8 43.4 23.9 25.9 57 57 A V B < -C 16 0B 70 -3,-0.8 2,-0.3 -41,-0.2 -1,-0.2 -0.976 47.9-179.8-134.3 136.4 45.5 20.8 26.3 58 58 A I - 0 0 4 -43,-1.8 2,-0.2 -2,-0.4 -30,-0.1 -0.857 28.4-108.0-128.6 165.0 44.6 17.2 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.507 34.6-109.4 -84.4 168.6 46.5 13.9 27.3 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.781 119.4 55.2 -62.6 -37.9 46.4 11.3 24.7 61 61 A D H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 107.6 50.2 -65.2 -37.9 44.3 9.1 26.8 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 110.1 50.6 -62.3 -43.4 41.8 11.9 27.0 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -34,-0.5 0.826 110.7 49.4 -60.4 -42.7 42.0 12.3 23.2 64 64 A E H X S+ 0 0 72 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.809 107.5 54.3 -74.7 -26.9 41.4 8.6 22.8 65 65 A K H X S+ 0 0 139 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 108.9 46.0 -74.5 -39.3 38.6 8.6 25.0 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.912 110.8 57.0 -59.2 -41.1 36.8 11.4 23.1 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.907 105.8 48.3 -59.4 -47.9 37.7 9.5 19.9 68 68 A N H X S+ 0 0 87 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.906 111.8 50.1 -56.8 -46.4 35.9 6.4 21.1 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.859 110.7 49.3 -60.7 -43.2 32.9 8.3 22.1 70 70 A D H X S+ 0 0 33 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 111.1 48.0 -66.6 -38.8 32.8 10.0 18.7 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.971 113.5 48.4 -64.6 -48.5 33.1 6.8 16.8 72 72 A D H X S+ 0 0 87 -4,-2.6 4,-2.9 1,-0.3 5,-0.3 0.982 112.2 48.6 -56.6 -46.7 30.4 5.2 18.8 73 73 A A H X S+ 0 0 48 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.3 0.901 109.3 53.3 -60.7 -41.5 28.1 8.2 18.4 74 74 A A H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.948 111.7 44.7 -60.1 -50.0 28.7 8.3 14.7 75 75 A V H X S+ 0 0 29 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.958 113.5 48.9 -56.8 -53.9 27.7 4.7 14.2 76 76 A R H X S+ 0 0 101 -4,-2.9 4,-0.9 -5,-0.3 -2,-0.2 0.936 111.2 51.2 -56.3 -42.4 24.8 4.9 16.4 77 77 A G H >< S+ 0 0 4 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.908 108.6 51.3 -57.1 -49.4 23.7 8.1 14.6 78 78 A M H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 7,-0.4 0.872 107.6 53.6 -51.8 -46.3 24.0 6.3 11.3 79 79 A L H 3< S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.675 108.2 48.8 -69.1 -19.4 21.9 3.5 12.5 80 80 A R T << S+ 0 0 185 -4,-0.9 2,-0.7 -3,-0.9 -1,-0.3 0.201 91.8 99.0 -96.6 -0.3 19.2 5.8 13.6 81 81 A N <> - 0 0 14 -3,-1.4 4,-4.2 -5,-0.2 -3,-0.0 -0.886 61.4-155.7-100.9 118.6 19.2 7.5 10.3 82 82 A A T 4 S+ 0 0 86 -2,-0.7 -1,-0.1 2,-0.2 -4,-0.0 0.804 96.8 43.1 -60.6 -33.2 16.6 6.4 7.8 83 83 A K T > S+ 0 0 120 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.873 122.2 41.1 -80.8 -27.3 18.5 7.5 4.8 84 84 A L H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 3,-0.7 0.921 100.7 65.4 -82.8 -48.6 21.7 6.1 6.2 85 85 A K H 3X S+ 0 0 88 -4,-4.2 4,-2.7 -7,-0.4 5,-0.2 0.865 100.5 49.4 -45.2 -52.3 20.8 2.8 7.8 86 86 A P H 3> S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.861 111.7 47.9 -61.9 -39.7 19.8 1.0 4.7 87 87 A V H < S+ 0 0 33 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.870 109.0 50.8 -60.8 -42.7 25.0 1.0 5.6 89 89 A D H 3< S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.881 105.8 56.5 -71.1 -30.1 23.3 -2.4 6.0 90 90 A S H 3< S+ 0 0 33 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.662 96.0 91.3 -71.5 -18.9 23.7 -3.1 2.4 91 91 A L S << S- 0 0 6 -4,-0.8 2,-0.1 -3,-0.7 31,-0.0 -0.442 73.7-120.2 -83.5 160.4 27.4 -2.6 2.6 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.313 43.3 -93.0 -84.8 171.1 30.4 -4.9 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.849 120.4 47.5 -60.7 -38.9 32.6 -4.3 6.1 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.948 114.1 45.7 -67.8 -46.4 35.2 -2.2 4.4 95 95 A R H > S+ 0 0 22 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.824 104.7 61.7 -68.1 -34.1 32.9 0.1 2.7 96 96 A R H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.925 102.2 53.7 -54.4 -44.3 30.9 0.5 5.9 97 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.904 104.0 54.9 -52.9 -42.7 34.0 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.865 109.7 48.4 -60.6 -35.6 34.2 4.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.914 109.4 49.2 -74.3 -43.7 30.7 5.6 5.2 100 100 A I H X S+ 0 0 10 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.903 108.1 57.3 -59.8 -39.2 31.3 6.0 8.8 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.968 110.0 43.7 -56.0 -49.0 34.5 8.0 7.8 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.6 1,-0.2 5,-0.4 0.940 111.6 52.6 -59.0 -48.0 32.4 10.3 5.9 103 103 A V H X S+ 0 0 8 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.901 109.3 50.0 -57.7 -41.1 29.8 10.6 8.5 104 104 A F H < S+ 0 0 32 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.865 116.1 43.0 -64.5 -38.2 32.4 11.5 11.2 105 105 A Q H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.931 130.8 19.8 -74.5 -43.5 33.8 14.1 8.9 106 106 A M H X S- 0 0 47 -4,-3.6 4,-0.5 -5,-0.2 -3,-0.2 0.598 102.3-108.1-114.2 -6.7 30.7 15.6 7.8 107 107 A G H X - 0 0 26 -4,-3.2 4,-2.9 -5,-0.4 5,-0.2 0.115 33.4 -91.1 90.8 140.7 27.8 14.8 9.9 108 108 A E H > S+ 0 0 53 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.763 129.0 50.0 -58.1 -35.3 25.0 12.5 9.2 109 109 A T H > S+ 0 0 115 2,-0.2 4,-1.0 3,-0.2 -1,-0.3 0.911 108.1 52.6 -71.9 -43.1 23.0 15.2 7.8 110 110 A G H >< S+ 0 0 31 -4,-0.5 3,-0.8 1,-0.2 -2,-0.2 0.962 117.3 39.0 -56.9 -53.7 25.9 16.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.871 103.5 65.3 -67.0 -40.5 26.2 12.7 4.3 112 112 A A H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 94.7 67.6 -58.3 -21.1 22.4 11.9 4.1 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.3 0.306 73.7 84.4 -77.3 0.7 22.5 14.7 1.4 114 114 A F <> + 0 0 38 -3,-2.5 4,-3.3 1,-0.2 3,-0.4 -0.370 57.1 156.9-101.3 51.0 24.5 12.6 -1.1 115 115 A T H > + 0 0 81 -2,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.840 64.9 46.0 -40.7 -55.1 21.3 11.0 -2.2 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.855 115.3 44.9 -62.5 -41.6 22.5 10.0 -5.6 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.923 111.8 54.8 -66.5 -45.6 25.8 8.5 -4.5 118 118 A L H X S+ 0 0 13 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.901 109.5 47.6 -53.9 -40.0 24.0 6.8 -1.6 119 119 A R H X S+ 0 0 111 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.933 110.7 49.7 -73.6 -40.2 21.7 5.2 -4.0 120 120 A M H <>S+ 0 0 33 -4,-1.9 5,-2.8 2,-0.2 -1,-0.3 0.780 108.6 53.6 -65.1 -35.2 24.4 4.1 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.9 3,-0.2 -1,-0.2 0.911 106.9 53.0 -67.4 -40.9 26.3 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 107.9 49.1 -63.7 -32.3 23.2 0.7 -2.5 123 123 A Q T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.570 114.7-120.9 -83.6 -2.2 23.0 -0.6 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.9 2,-1.1 -4,-0.2 -3,-0.2 0.788 61.6 149.8 66.0 34.2 26.7 -1.6 -5.7 125 125 A R >< + 0 0 119 -5,-2.8 4,-3.0 1,-0.2 5,-0.2 -0.635 17.5 171.9 -94.9 72.3 27.5 0.6 -8.7 126 126 A W H > + 0 0 52 -2,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.893 69.0 44.6 -54.4 -58.7 31.0 1.4 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 115.7 51.0 -56.7 -42.0 32.6 3.3 -10.4 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.944 110.6 47.0 -61.9 -46.0 29.4 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.0 4,-4.2 2,-0.2 5,-0.3 0.926 108.1 56.0 -62.4 -37.9 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.4 1,-0.3 -2,-0.2 0.954 110.5 45.2 -63.3 -43.8 33.0 7.2 -7.2 131 131 A V H X S+ 0 0 91 -4,-2.4 4,-0.6 1,-0.2 -1,-0.3 0.919 116.6 46.2 -62.6 -46.8 32.4 9.6 -10.0 132 132 A N H >< S+ 0 0 39 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.881 109.1 54.1 -65.6 -41.6 29.3 10.9 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-4.2 6,-0.3 -5,-0.3 -1,-0.2 0.819 102.2 60.3 -59.2 -33.4 30.9 11.2 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-2.0 -5,-0.3 -1,-0.2 0.677 83.5 80.5 -72.6 -14.2 33.7 13.3 -6.6 135 135 A K S << S+ 0 0 158 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.2 -0.447 81.3 104.1 -89.3 65.6 31.3 16.0 -7.8 136 136 A S S > S- 0 0 17 -2,-2.0 4,-2.0 1,-0.1 5,-0.2 -0.986 81.2-122.7-150.6 157.5 31.2 17.6 -4.5 137 137 A R H > S+ 0 0 149 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.904 113.0 59.1 -60.3 -46.2 32.3 20.3 -2.4 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 8,-0.3 0.899 107.2 46.0 -46.6 -49.7 33.8 17.8 0.0 139 139 A Y H 4 S+ 0 0 58 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.5 49.1 -62.7 -44.5 36.0 16.4 -2.7 140 140 A N H < S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.815 115.7 44.0 -68.7 -34.5 37.1 19.8 -3.8 141 141 A Q H < S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.828 132.0 17.8 -73.5 -47.6 37.9 20.9 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 -0.563 73.2 166.3-129.5 67.7 39.7 17.8 0.9 143 143 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.797 72.5 47.1 -47.7 -46.2 40.7 16.1 -2.2 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.936 115.6 42.4 -71.1 -48.3 43.1 13.6 -0.7 145 145 A R H >> S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.974 116.6 51.3 -57.1 -56.1 41.1 12.5 2.1 146 146 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.889 108.0 52.0 -48.4 -44.5 38.1 12.4 -0.2 147 147 A K H 3X S+ 0 0 101 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.868 106.7 54.2 -66.2 -34.5 40.1 10.3 -2.7 148 148 A R H > S+ 0 0 41 -2,-0.3 3,-3.3 1,-0.2 4,-0.7 0.351 72.8 118.6 -84.8 5.3 42.1 -0.8 2.3 159 159 A D G >4 + 0 0 98 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.788 69.1 55.1 -39.8 -46.8 44.6 -0.2 -0.5 160 160 A A G 34 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.566 106.7 54.3 -66.1 -16.6 44.3 3.7 -0.3 161 161 A Y G <4 0 0 18 -3,-3.3 -1,-0.3 -13,-0.1 -2,-0.2 0.542 360.0 360.0 -98.7 -2.8 45.2 3.3 3.3 162 162 A K << 0 0 179 -3,-1.4 -2,-0.2 -4,-0.7 -3,-0.1 0.794 360.0 360.0-106.4 360.0 48.4 1.3 2.7