==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-02 1KY1 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.MOOERS,R.D.BUSAM,L.H.WEAVER, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 2 0 0 1 2 0 0 1 1 0 0 0 0 0 1 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 84 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 135.3 43.6 -1.9 9.0 2 2 A N > - 0 0 68 1,-0.0 4,-3.2 156,-0.0 5,-0.2 -0.936 360.0 -80.3-151.0-179.8 40.5 -0.7 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.830 124.3 51.2 -58.6 -36.7 38.3 2.4 11.3 4 4 A F H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 114.6 40.3 -69.2 -46.5 40.4 3.6 14.0 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.848 114.0 56.3 -69.2 -35.0 43.7 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 3,-0.2 0.957 112.7 38.1 -61.7 -52.6 42.0 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.815 110.9 59.7 -69.7 -29.4 40.7 7.9 10.8 8 8 A R H X S+ 0 0 90 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.889 107.7 47.3 -67.5 -31.4 43.9 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.944 114.8 46.0 -71.7 -43.8 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 124.0 29.5 -67.1 -33.3 43.3 10.9 8.0 11 11 A E H < S- 0 0 44 -4,-2.5 19,-0.4 1,-0.2 -1,-0.2 0.632 90.9-149.8-104.1 -25.8 43.0 13.3 11.0 12 12 A G < - 0 0 24 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.2 -0.156 24.3 -83.9 76.9-177.3 46.3 13.2 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.958 44.1 170.9-135.7 120.9 46.9 13.7 16.4 14 14 A R E -A 28 0A 125 14,-2.0 14,-2.5 -2,-0.4 4,-0.1 -0.996 20.0-165.3-134.5 134.5 47.2 17.0 18.1 15 15 A L E S+ 0 0 61 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.432 72.2 60.7 -99.5 1.3 47.3 17.8 21.7 16 16 A K E S-C 57 0B 85 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.919 100.6 -83.3-127.0 145.6 46.8 21.6 21.7 17 17 A I E + 0 0 12 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.183 59.2 172.8 -45.3 135.1 43.8 23.5 20.3 18 18 A Y E -A 26 0A 31 8,-3.3 8,-3.1 -4,-0.1 2,-0.5 -0.943 34.8-106.0-142.6 165.9 44.2 23.9 16.5 19 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.851 32.8-140.4 -97.2 128.4 42.3 25.2 13.6 20 20 A D > - 0 0 50 4,-3.3 3,-0.9 -2,-0.5 -1,-0.1 0.094 41.8 -81.5 -71.4-167.9 41.0 22.6 11.3 21 21 A T T 3 S+ 0 0 118 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.593 134.4 51.3 -73.0 -10.2 41.0 23.1 7.5 22 22 A E T 3 S- 0 0 94 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.377 125.0-103.4 -99.5 -3.5 37.7 25.2 7.8 23 23 A G S < S+ 0 0 32 -3,-0.9 2,-0.4 1,-0.3 -2,-0.1 0.476 75.6 140.5 89.2 17.4 39.3 27.4 10.5 24 24 A Y - 0 0 64 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.3 -0.700 59.5-101.5 -93.3 152.0 37.5 25.8 13.4 25 25 A Y E +AB 19 34A 31 9,-0.8 8,-3.3 11,-0.4 9,-1.4 -0.366 52.7 158.9 -65.6 132.5 38.9 25.0 16.7 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.3 6,-0.3 2,-0.3 -0.877 17.3-173.5-146.8 165.2 39.7 21.4 17.1 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 -12,-0.2 -0.960 52.4 10.0-152.4 169.9 41.9 19.2 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.8 -0.375 122.7 -10.0 69.0-133.7 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.718 127.0 -51.1-105.9 73.2 42.0 13.2 16.5 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-0.9 -19,-0.4 -2,-0.2 0.761 84.1 158.7 71.0 25.9 39.7 15.5 14.6 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.6 1,-0.0 -1,-0.2 -0.671 34.0-143.1 -88.2 108.0 37.5 16.4 17.5 32 32 A L E -B 26 0A 65 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.420 17.9-175.5 -66.7 127.9 35.7 19.7 16.6 33 33 A L E - 0 0 13 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.873 58.9 -21.9 -92.0 -42.3 35.3 21.8 19.6 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.929 38.0-136.2-166.2 147.5 33.4 24.7 18.3 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.473 75.1 110.1 -88.1 1.5 32.5 26.5 15.2 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.454 72.9-133.5 -86.9 148.0 33.0 29.8 17.0 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.596 78.7 103.4 -69.2 -11.3 35.7 32.2 16.4 38 38 A S > - 0 0 52 1,-0.2 4,-2.0 2,-0.1 -2,-0.1 -0.629 53.0-166.6 -86.5 126.6 36.2 32.4 20.1 39 39 A L H > S+ 0 0 57 -2,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.792 92.2 53.1 -76.6 -28.3 39.1 30.6 21.6 40 40 A N H > S+ 0 0 117 2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.961 107.1 52.3 -70.6 -42.8 37.8 31.0 25.0 41 41 A A H > S+ 0 0 33 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.922 110.0 49.6 -52.8 -45.5 34.7 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.915 109.0 52.2 -64.1 -38.5 36.8 26.7 22.5 43 43 A K H X S+ 0 0 55 -4,-2.7 4,-2.0 2,-0.2 11,-0.2 0.912 108.4 50.6 -67.1 -31.3 38.6 26.4 25.8 44 44 A S H X S+ 0 0 71 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.927 109.1 50.7 -71.5 -43.0 35.4 26.1 27.7 45 45 A E H X S+ 0 0 64 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.930 109.3 53.3 -59.1 -44.4 34.1 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 5,-0.3 0.925 109.7 45.8 -58.9 -42.3 37.4 21.6 25.9 47 47 A D H X>S+ 0 0 32 -4,-2.0 4,-2.5 1,-0.2 5,-1.5 0.894 111.7 52.3 -69.8 -35.9 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.7 46.4 -61.9 -43.0 33.6 20.5 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.845 120.4 36.9 -69.9 -37.7 34.4 17.6 27.3 50 50 A I H <5S- 0 0 38 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.791 104.1-124.3 -89.4 -30.1 37.4 16.4 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.730 76.7 66.1 88.6 29.9 36.0 17.2 32.7 52 52 A R S - 0 0 6 -2,-1.0 3,-0.8 -11,-0.2 -1,-0.2 0.770 33.7-141.6 -81.6 -31.9 42.8 21.7 30.6 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.827 71.1 -58.9 69.3 28.3 44.2 25.0 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.553 120.5 97.2 76.6 9.2 43.8 24.1 25.9 57 57 A V B < +C 16 0B 67 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.992 46.3 175.0-135.8 133.5 46.0 21.1 26.3 58 58 A I - 0 0 4 -43,-1.9 2,-0.2 -2,-0.4 -30,-0.1 -0.807 28.4-108.1-128.9 169.8 45.3 17.4 26.8 59 59 A T > - 0 0 62 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.477 35.0-103.1 -93.6 172.9 47.2 14.2 27.1 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 121.9 54.5 -60.3 -41.9 47.3 11.3 24.5 61 61 A D H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.859 107.9 48.5 -57.9 -45.4 45.0 9.3 26.7 62 62 A E H > S+ 0 0 39 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.914 111.1 51.8 -61.9 -44.8 42.3 12.1 26.8 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -34,-0.4 0.892 111.2 46.7 -53.3 -51.9 42.6 12.4 23.0 64 64 A E H X S+ 0 0 72 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.901 109.7 53.7 -64.4 -36.2 42.1 8.7 22.5 65 65 A K H X S+ 0 0 140 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.970 110.4 47.2 -63.0 -47.2 39.1 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.861 110.4 53.5 -58.2 -41.9 37.5 11.5 22.8 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.934 106.3 51.0 -63.5 -44.2 38.2 9.6 19.7 68 68 A N H X S+ 0 0 88 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.940 112.4 47.3 -55.7 -45.7 36.5 6.4 20.9 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.908 112.6 49.1 -64.0 -41.1 33.5 8.3 21.8 70 70 A D H X S+ 0 0 37 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.837 111.0 47.9 -70.1 -35.9 33.4 10.1 18.5 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.936 112.5 51.1 -69.9 -41.0 33.8 7.0 16.5 72 72 A D H X S+ 0 0 79 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.948 110.8 48.4 -57.6 -44.5 31.0 5.4 18.6 73 73 A A H X S+ 0 0 49 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.866 107.7 55.0 -65.8 -37.7 28.7 8.4 18.0 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.978 109.9 46.1 -59.8 -52.2 29.4 8.4 14.2 75 75 A V H >X S+ 0 0 34 -4,-2.4 4,-2.6 1,-0.2 3,-0.8 0.952 113.9 48.3 -51.5 -55.0 28.3 4.7 13.9 76 76 A R H 3X S+ 0 0 112 -4,-2.3 4,-1.6 1,-0.3 5,-0.2 0.900 106.4 56.8 -60.7 -31.8 25.2 5.3 16.0 77 77 A G H 3X S+ 0 0 2 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.3 0.863 108.1 48.4 -66.1 -35.8 24.3 8.3 14.0 78 78 A I H X< S+ 0 0 0 -4,-1.6 3,-0.7 -3,-0.8 7,-0.5 0.945 111.0 49.4 -64.8 -51.4 24.3 6.2 10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.718 110.6 50.0 -61.5 -29.4 22.2 3.5 12.4 80 80 A R H 3< S+ 0 0 182 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.634 91.2 94.6 -83.2 -22.0 19.7 6.0 13.6 81 81 A N > S+ 0 0 2 -6,-0.2 4,-2.5 -7,-0.1 3,-0.8 0.860 96.7 71.6 -93.5 -40.2 21.6 6.0 5.8 85 85 A K H 3X S+ 0 0 83 -4,-2.8 4,-2.9 -7,-0.5 5,-0.2 0.884 97.5 50.4 -45.1 -44.7 21.1 2.8 7.7 86 86 A P H 3> S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.878 110.7 48.0 -69.8 -30.3 20.0 0.8 4.7 87 87 A V H <4 S+ 0 0 5 -3,-0.8 4,-0.5 -4,-0.4 3,-0.3 0.957 113.3 49.2 -69.4 -45.8 23.0 1.9 2.6 88 88 A Y H >< S+ 0 0 27 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.887 110.0 49.9 -59.8 -44.2 25.2 1.1 5.4 89 89 A D H 3< S+ 0 0 73 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.782 103.6 60.5 -69.7 -24.5 23.7 -2.3 5.9 90 90 A S T 3< S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 0.639 96.1 86.0 -76.9 -10.5 23.9 -3.2 2.3 91 91 A M S < S- 0 0 6 -3,-1.1 31,-0.0 -4,-0.5 2,-0.0 -0.604 77.1-114.0 -98.0 159.0 27.8 -2.8 2.4 92 92 A D > - 0 0 57 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.208 45.4 -96.0 -74.1 170.4 30.8 -5.0 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.779 120.4 52.0 -62.4 -31.8 33.0 -4.0 6.3 94 94 A V H > S+ 0 0 25 2,-0.2 4,-1.7 62,-0.2 3,-0.3 0.962 111.5 45.4 -71.9 -48.6 35.6 -2.1 4.4 95 95 A R H > S+ 0 0 26 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.858 108.0 57.9 -66.9 -33.9 33.1 0.1 2.6 96 96 A R H X S+ 0 0 81 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.912 103.2 53.8 -59.5 -39.3 31.2 0.6 5.9 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.902 105.7 54.1 -60.7 -39.4 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.885 108.7 48.7 -60.0 -41.1 34.6 4.4 4.4 99 99 A M H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.912 109.5 50.6 -66.4 -43.3 31.1 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.909 107.1 56.3 -60.6 -40.1 31.9 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.951 109.2 45.4 -55.8 -49.8 35.0 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.886 113.6 48.6 -60.6 -45.3 32.8 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.900 110.6 53.2 -62.2 -39.8 30.2 10.8 8.8 104 104 A F H < S+ 0 0 31 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.949 115.9 37.9 -58.4 -49.0 33.0 11.4 11.2 105 105 A Q H < S+ 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.843 131.6 22.2 -72.9 -36.1 34.4 14.3 9.1 106 106 A M H X S- 0 0 44 -4,-2.3 4,-1.2 -5,-0.2 -3,-0.2 0.549 98.1-122.6-118.0 -6.2 31.3 15.9 7.9 107 107 A G H X - 0 0 26 -4,-2.2 4,-2.0 -5,-0.3 3,-0.3 0.071 40.8 -73.3 77.0 159.5 28.5 15.0 10.1 108 108 A E H > S+ 0 0 75 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.748 132.7 59.2 -60.1 -25.4 25.2 13.4 9.2 109 109 A T H 4 S+ 0 0 130 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.886 105.1 43.2 -70.7 -50.0 24.3 16.7 7.7 110 110 A G H >< S+ 0 0 32 -4,-1.2 3,-1.3 -3,-0.3 -2,-0.2 0.879 113.5 53.6 -67.0 -39.3 27.2 16.9 5.1 111 111 A V H >< S+ 0 0 2 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.701 94.8 70.9 -70.9 -20.4 26.8 13.2 4.2 112 112 A A G >< S+ 0 0 41 -4,-0.8 3,-0.7 1,-0.3 -1,-0.3 0.673 86.0 62.6 -74.0 -13.4 23.2 13.7 3.5 113 113 A G G < S+ 0 0 70 -3,-1.3 3,-0.3 -4,-0.3 -1,-0.3 0.440 88.2 77.1 -88.9 5.5 24.0 15.8 0.3 114 114 A F G <> + 0 0 22 -3,-1.3 4,-2.7 1,-0.2 3,-0.4 0.182 57.7 126.6-100.7 21.3 25.5 12.6 -1.0 115 115 A T H <> S+ 0 0 74 -3,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.825 70.1 47.3 -46.5 -51.2 22.1 11.1 -1.8 116 116 A N H > S+ 0 0 98 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.928 113.0 47.5 -63.4 -43.4 22.8 10.3 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.877 111.5 53.2 -63.1 -38.5 26.1 8.7 -4.7 118 118 A M H X S+ 0 0 15 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.937 105.0 52.4 -65.2 -42.0 24.6 6.7 -1.9 119 119 A R H X S+ 0 0 161 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.931 111.5 48.4 -61.9 -33.5 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 42 -4,-1.8 5,-2.3 1,-0.2 -1,-0.2 0.919 109.7 52.7 -72.1 -38.6 24.4 4.2 -6.5 121 121 A M H ><5S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.912 105.2 53.7 -64.6 -38.4 26.3 2.7 -3.8 122 122 A Q H 3<5S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.889 109.3 48.5 -60.3 -36.4 23.3 0.9 -2.7 123 123 A Q T 3<5S- 0 0 79 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.364 117.1-118.6 -83.1 0.6 22.9 -0.5 -6.1 124 124 A K T < 5 + 0 0 99 -3,-1.8 2,-1.6 1,-0.2 -3,-0.2 0.660 63.6 145.8 70.8 24.3 26.6 -1.4 -6.0 125 125 A R >< + 0 0 110 -5,-2.3 4,-1.6 1,-0.2 -1,-0.2 -0.673 19.4 169.8 -89.5 80.1 27.7 0.7 -8.9 126 126 A W H > + 0 0 42 -2,-1.6 4,-2.0 2,-0.2 5,-0.2 0.914 65.3 50.0 -63.2 -55.6 31.0 1.6 -7.5 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.932 113.8 47.5 -55.3 -39.1 32.8 3.3 -10.3 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 108.8 52.2 -70.1 -39.3 29.9 5.6 -10.9 129 129 A A H X S+ 0 0 2 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.908 106.6 55.4 -65.6 -34.7 29.5 6.5 -7.4 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.887 108.8 47.9 -62.9 -38.5 33.2 7.4 -7.1 131 131 A V H >X S+ 0 0 100 -4,-1.4 4,-0.8 1,-0.2 3,-0.6 0.964 112.4 46.8 -70.0 -48.6 32.8 9.8 -10.0 132 132 A N H >< S+ 0 0 37 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.857 108.1 56.9 -59.9 -41.0 29.8 11.5 -8.6 133 133 A M H 3< S+ 0 0 2 -4,-2.4 6,-0.4 1,-0.2 -1,-0.2 0.861 98.2 61.7 -66.7 -24.9 31.3 11.8 -5.2 134 134 A A H << S+ 0 0 28 -4,-1.1 2,-2.4 -3,-0.6 -1,-0.2 0.778 84.9 79.6 -70.7 -22.9 34.3 13.7 -6.7 135 135 A K S << S+ 0 0 164 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.2 -0.459 81.7 100.1 -79.6 68.3 31.9 16.4 -7.9 136 136 A S S > S- 0 0 17 -2,-2.4 4,-2.3 1,-0.1 5,-0.1 -1.000 83.3-118.5-153.0 159.7 31.8 18.0 -4.5 137 137 A R H > S+ 0 0 152 -2,-0.3 4,-3.8 1,-0.2 5,-0.3 0.900 114.9 61.6 -59.9 -40.6 33.0 20.7 -2.2 138 138 A W H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 8,-0.2 0.935 107.0 41.2 -49.4 -53.9 34.4 18.0 -0.0 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.4 53.5 -65.9 -39.5 36.7 16.6 -2.8 140 140 A N H < S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.3 39.3 -61.2 -43.8 37.6 20.2 -3.7 141 141 A Q H < S+ 0 0 100 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.868 132.3 19.5 -76.6 -40.6 38.6 21.2 -0.2 142 142 A T S X S+ 0 0 22 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.708 72.7 163.5-132.4 73.9 40.4 18.1 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.863 68.9 52.0 -64.8 -46.1 41.3 16.3 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.948 117.1 42.2 -60.6 -40.7 44.0 13.8 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.942 113.5 51.2 -67.8 -50.7 41.6 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 5,-0.2 0.913 108.9 52.5 -53.8 -45.0 38.6 12.6 -0.3 147 147 A K H X S+ 0 0 90 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.837 107.2 51.6 -57.4 -42.7 40.6 10.5 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.0 -3,-0.4 12,-0.2 0.916 113.5 44.0 -62.6 -42.2 41.5 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.901 112.2 51.6 -68.9 -45.3 37.9 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.909 109.3 50.2 -61.3 -42.9 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.1 4,-2.9 -5,-0.2 6,-0.4 0.785 107.9 56.0 -61.5 -34.5 39.1 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.932 111.8 39.7 -67.1 -44.2 38.0 2.8 -0.6 153 153 A F H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 116.9 52.4 -68.8 -41.6 34.4 2.8 -1.6 154 154 A R H < S+ 0 0 76 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.951 123.8 23.8 -59.7 -47.0 35.4 2.2 -5.1 155 155 A T H < S- 0 0 48 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.646 85.0-137.2 -90.9 -30.2 37.6 -0.8 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.8 2,-0.3 1,-0.3 -62,-0.2 0.703 73.7 102.6 72.4 18.7 36.3 -2.2 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.859 79.5-121.4-123.6 170.8 40.0 -2.7 -0.2 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.7 1,-0.2 4,-0.9 0.191 71.4 121.7 -92.8 14.3 42.5 -0.7 2.1 159 159 A D G >4 + 0 0 90 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.827 65.6 56.9 -51.3 -37.6 44.9 -0.0 -0.7 160 160 A A G 34 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.596 110.9 46.5 -73.4 -11.0 44.9 3.7 -0.5 161 161 A Y G <4 0 0 18 -3,-2.7 -1,-0.3 -13,-0.1 -2,-0.2 0.549 360.0 360.0-104.5 -12.0 45.9 3.4 3.1 162 162 A K << 0 0 182 -4,-0.9 -2,-0.1 -3,-0.9 -3,-0.1 0.814 360.0 360.0 -94.0 360.0 48.7 0.9 2.7