==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-99 1QS9 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.LIU,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) . 8653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 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 66 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.2 43.5 -1.8 9.0 2 2 A N > - 0 0 72 95,-0.0 4,-3.0 1,-0.0 5,-0.2 -0.930 360.0 -80.8-161.8 171.4 40.3 -0.7 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.848 123.9 48.8 -52.6 -41.4 38.2 2.3 11.5 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 114.0 44.6 -67.1 -45.7 40.5 3.7 14.2 5 5 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.913 113.7 51.6 -65.0 -43.3 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.943 113.7 42.0 -60.7 -51.3 42.1 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 5,-0.4 0.869 109.1 59.5 -66.8 -29.9 40.7 7.9 10.9 8 8 A R H X S+ 0 0 109 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.904 107.7 47.5 -64.5 -34.0 44.0 8.3 12.8 9 9 A I H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.936 116.5 42.1 -69.6 -45.3 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 125.4 32.2 -72.0 -32.5 43.2 11.0 8.0 11 11 A E H < S- 0 0 47 -4,-3.1 19,-0.3 -5,-0.2 -1,-0.2 0.699 91.0-153.1 -99.5 -23.6 42.9 13.2 11.1 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.195 24.6 -87.7 76.1-174.1 46.3 13.1 12.7 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.972 42.3 172.8-136.6 119.7 46.8 13.6 16.6 14 14 A R E -A 28 0A 140 14,-1.8 14,-2.5 -2,-0.4 4,-0.1 -0.999 18.3-164.9-132.4 127.8 47.3 17.0 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.475 73.6 63.1 -89.2 -4.7 47.4 17.5 21.9 16 16 A K E S-C 57 0B 126 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.878 100.9 -87.9-119.4 148.1 47.0 21.3 21.8 17 17 A I E + 0 0 4 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.252 58.6 168.1 -53.0 139.8 44.0 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-3.0 8,-3.6 -4,-0.1 2,-0.5 -0.889 36.2-100.9-146.4 175.7 44.3 23.8 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.887 32.8-140.6-106.2 135.2 42.4 25.0 13.8 20 20 A D > - 0 0 49 4,-2.5 3,-2.5 -2,-0.5 -1,-0.0 -0.145 43.1 -78.5 -81.1-173.5 41.0 22.5 11.3 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 134.8 48.0 -59.0 -26.3 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.364 123.8-104.2 -92.8 0.1 37.9 25.2 7.8 23 23 A G S < S+ 0 0 32 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.625 73.4 141.4 86.9 18.5 39.5 27.2 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.748 59.3-100.4 -98.0 147.7 37.5 25.7 13.6 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-2.8 11,-0.4 9,-1.4 -0.371 54.7 159.7 -63.3 127.2 39.0 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.6 -8,-3.0 6,-0.3 2,-0.3 -0.909 19.0-166.4-142.6 167.9 39.7 21.3 17.3 27 27 A I E > - B 0 31A 0 4,-1.6 4,-2.2 -2,-0.3 -12,-0.2 -0.979 51.3 -0.6-152.9 163.8 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.8 -2,-0.3 2,-0.9 -0.405 122.8 -2.2 64.8-127.8 43.1 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.653 127.7 -55.3-100.0 69.8 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.768 84.1 160.0 68.2 25.4 39.8 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.6 1,-0.0 -1,-0.2 -0.661 33.1-143.6 -85.8 105.3 37.5 16.3 17.7 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.383 18.6-175.8 -66.1 130.0 35.8 19.6 16.8 33 33 A L E - 0 0 14 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.877 59.2 -28.2 -93.8 -45.4 35.3 21.8 19.8 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.965 34.9-135.3-166.3 155.4 33.4 24.7 18.4 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.478 74.5 114.4 -92.1 -6.2 32.7 26.7 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.382 71.5-134.4 -68.6 137.7 33.0 29.9 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.555 76.3 106.4 -69.8 -5.8 35.9 32.2 16.5 38 38 A S > - 0 0 51 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.666 55.3-163.3 -88.4 120.5 36.5 32.5 20.2 39 39 A L H > S+ 0 0 63 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.853 95.4 55.2 -62.9 -34.1 39.5 30.7 21.7 40 40 A N H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.922 104.7 51.2 -68.1 -40.7 37.9 31.1 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 110.5 50.7 -61.8 -37.7 34.8 29.5 24.0 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.922 109.2 50.2 -65.5 -43.6 37.0 26.6 22.7 43 43 A K H X S+ 0 0 71 -4,-2.7 4,-2.5 1,-0.2 11,-0.2 0.925 111.0 50.5 -61.0 -42.4 38.8 26.3 26.0 44 44 A S H X S+ 0 0 68 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.907 110.3 47.3 -62.4 -46.5 35.5 26.2 27.8 45 45 A E H X S+ 0 0 65 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.912 111.8 52.8 -62.4 -39.5 34.1 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.947 107.9 49.4 -60.5 -46.2 37.4 21.5 26.0 47 47 A D H X>S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 5,-1.4 0.915 112.6 48.8 -58.1 -43.1 37.2 21.7 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.857 111.2 49.4 -63.7 -40.6 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.887 121.0 34.9 -66.9 -39.9 34.5 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.697 102.4-126.1 -90.4 -26.8 37.4 16.4 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.819 76.1 68.8 88.3 24.5 36.1 17.2 32.9 52 52 A R S - 0 0 1 -2,-1.0 3,-1.6 -11,-0.2 -1,-0.2 0.636 33.4-138.4 -91.5 -19.7 42.9 21.9 30.9 55 55 A N T 3 S- 0 0 122 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.777 71.2 -65.4 69.4 16.8 44.6 25.0 29.8 56 56 A G T 3 S+ 0 0 5 1,-0.2 -39,-1.5 -13,-0.2 2,-0.4 0.555 116.6 101.3 77.8 3.3 44.0 24.0 26.2 57 57 A V B < +C 16 0B 66 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.972 46.9 179.1-124.3 138.1 46.3 21.0 26.5 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.834 25.3-108.0-130.5 171.4 45.4 17.3 26.9 59 59 A T > - 0 0 62 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.535 30.2-109.9 -95.2 168.2 47.0 14.0 27.2 60 60 A K H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 120.4 52.7 -59.8 -44.1 47.2 11.2 24.8 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.0 47.5 -57.5 -47.1 44.9 9.1 27.0 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 110.9 51.2 -64.1 -41.3 42.4 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -34,-0.4 0.910 110.7 50.0 -60.3 -42.9 42.6 12.4 23.2 64 64 A E H X S+ 0 0 72 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.876 107.9 52.9 -64.8 -37.2 42.1 8.6 22.7 65 65 A K H X S+ 0 0 141 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.943 108.9 47.8 -66.3 -43.9 39.1 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 110.9 54.8 -61.1 -39.1 37.4 11.5 23.0 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.936 106.3 49.2 -58.7 -48.8 38.2 9.5 19.9 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.931 112.5 47.8 -58.6 -43.3 36.5 6.4 21.1 69 69 A Q H X S+ 0 0 84 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.909 111.3 51.3 -63.5 -40.2 33.5 8.4 22.0 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.897 110.5 47.3 -63.3 -39.9 33.5 10.1 18.6 71 71 A V H X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.955 112.7 50.8 -65.8 -46.4 33.6 6.9 16.6 72 72 A D H X S+ 0 0 90 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.958 110.5 48.2 -56.2 -48.5 30.9 5.4 18.8 73 73 A A H X S+ 0 0 41 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.917 108.5 54.3 -60.8 -41.2 28.7 8.4 18.2 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.950 111.7 44.4 -57.8 -49.2 29.3 8.3 14.4 75 75 A V H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.959 112.9 51.0 -59.0 -49.4 28.2 4.7 14.2 76 76 A R H X S+ 0 0 115 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.912 108.7 52.4 -56.7 -41.4 25.3 5.4 16.4 77 77 A G H X S+ 0 0 4 -4,-3.0 4,-0.9 -5,-0.3 -1,-0.2 0.900 108.9 50.2 -60.9 -40.6 24.3 8.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 7,-0.5 0.966 110.6 49.3 -60.5 -51.5 24.4 6.2 11.1 79 79 A L H 3< S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.771 112.4 47.1 -64.4 -24.2 22.2 3.5 12.6 80 80 A R H 3< S+ 0 0 171 -4,-1.7 2,-0.5 -5,-0.3 -1,-0.3 0.580 92.9 95.3 -92.4 -9.9 19.7 6.0 13.7 81 81 A N S+ 0 0 144 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.824 121.0 42.1 -87.6 -32.5 18.7 7.5 4.9 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.5 1,-0.2 3,-0.4 0.885 99.3 66.3 -81.3 -43.7 22.0 6.1 6.2 85 85 A K H X S+ 0 0 85 -4,-2.9 4,-3.1 -7,-0.5 5,-0.2 0.880 99.9 50.1 -49.4 -46.5 21.2 2.9 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.866 111.7 49.6 -65.3 -33.2 20.1 1.0 4.7 87 87 A V H X S+ 0 0 3 -4,-0.6 4,-0.8 -3,-0.4 3,-0.3 0.958 112.7 46.2 -67.8 -49.7 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.935 110.5 53.0 -57.0 -46.1 25.3 0.9 5.7 89 89 A D H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.846 106.6 54.1 -62.3 -29.7 23.5 -2.3 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.623 96.2 91.2 -79.1 -12.3 23.9 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.505 74.1-117.8 -91.1 159.1 27.7 -2.7 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.240 45.0 -93.0 -77.4 168.4 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.868 121.9 48.8 -58.7 -42.3 33.0 -4.4 6.1 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.974 113.5 45.8 -62.2 -51.8 35.5 -2.3 4.3 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 106.2 60.1 -64.5 -29.7 33.0 -0.0 2.8 96 96 A R H X S+ 0 0 83 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.935 102.9 52.9 -62.7 -37.0 31.1 0.3 6.0 97 97 A A H X S+ 0 0 10 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.875 105.5 55.3 -65.8 -32.5 34.3 1.8 7.6 98 98 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.883 105.9 50.5 -67.2 -37.5 34.5 4.3 4.8 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.877 107.8 52.5 -67.6 -34.2 31.0 5.5 5.4 100 100 A I H X S+ 0 0 10 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.941 106.5 55.6 -65.8 -40.1 31.8 6.0 9.1 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 107.7 48.3 -54.1 -48.6 34.9 8.0 8.1 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.911 112.2 48.1 -62.7 -40.5 32.7 10.4 6.1 103 103 A V H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.911 108.2 54.6 -67.6 -37.2 30.2 10.8 8.9 104 104 A F H < S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.926 116.1 40.3 -60.4 -40.0 33.0 11.4 11.4 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.927 132.5 16.4 -74.7 -47.3 34.2 14.2 9.1 106 106 A M H X S- 0 0 53 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.482 102.6-119.3-108.0 -11.5 30.9 15.9 7.9 107 107 A G H X - 0 0 30 -4,-2.3 4,-2.3 -5,-0.4 5,-0.2 0.147 34.6 -73.0 82.2 160.0 28.4 14.7 10.2 108 108 A E H > S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.865 129.8 50.7 -55.9 -47.1 25.2 12.7 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.927 109.3 52.2 -62.3 -43.3 23.3 15.5 8.0 110 110 A G H < S+ 0 0 31 -4,-0.6 3,-0.5 1,-0.2 4,-0.2 0.920 114.2 41.7 -59.6 -49.0 26.2 16.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.6 1,-0.3 -1,-0.2 0.918 107.4 58.5 -68.8 -41.6 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 18 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.759 95.6 70.0 -60.3 -18.6 22.8 12.1 4.3 113 113 A G T 3< S+ 0 0 54 -4,-0.9 2,-1.7 -3,-0.5 -1,-0.3 0.687 75.1 84.9 -72.3 -13.6 22.8 15.0 1.8 114 114 A F <> + 0 0 40 -3,-2.6 4,-2.4 -4,-0.2 3,-0.3 -0.258 56.2 160.3 -86.5 57.3 24.7 12.9 -0.8 115 115 A T H > + 0 0 83 -2,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.821 65.8 42.8 -43.7 -58.7 21.5 11.4 -2.1 116 116 A N H > S+ 0 0 75 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.872 115.1 49.6 -63.0 -38.5 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.907 108.7 53.0 -67.0 -40.3 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 109.3 49.6 -60.2 -42.5 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 128 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.926 111.1 49.2 -63.3 -40.9 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 36 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.915 110.6 50.1 -65.4 -42.7 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.952 108.7 52.8 -59.6 -46.8 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.889 109.8 48.5 -55.5 -38.6 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.474 113.8-120.0 -81.6 -0.9 23.2 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-2.1 2,-1.3 -4,-0.4 -3,-0.2 0.771 61.7 149.2 68.1 30.0 26.9 -1.4 -5.8 125 125 A R >< + 0 0 115 -5,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.616 18.9 174.2 -95.3 73.7 27.7 0.8 -8.7 126 126 A W H > S+ 0 0 50 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.858 70.2 42.9 -50.5 -56.6 31.2 1.6 -7.5 127 127 A D H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 114.5 50.4 -64.6 -40.4 32.6 3.5 -10.4 128 128 A E H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 110.7 49.4 -66.9 -36.8 29.5 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.902 106.5 56.2 -64.4 -38.9 29.4 6.5 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.931 108.5 46.8 -61.1 -43.0 33.0 7.5 -7.1 131 131 A V H X S+ 0 0 97 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.933 113.5 48.3 -64.8 -44.6 32.5 10.0 -9.9 132 132 A N H >< S+ 0 0 30 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.920 108.5 53.2 -63.8 -40.7 29.4 11.4 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.835 102.9 60.3 -63.5 -28.7 31.1 11.7 -4.9 134 134 A A H 3< S+ 0 0 29 -4,-1.5 2,-1.9 -5,-0.2 -1,-0.2 0.729 86.4 78.2 -71.3 -21.2 34.0 13.7 -6.5 135 135 A K S << S+ 0 0 150 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 -0.506 81.8 95.9 -85.2 69.3 31.5 16.4 -7.7 136 136 A S S > S- 0 0 19 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.999 84.7-115.8-155.5 159.8 31.3 18.0 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.888 113.9 62.0 -62.3 -37.0 32.7 20.7 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.948 105.8 44.3 -53.9 -49.9 34.1 18.1 0.1 139 139 A Y H 4 S+ 0 0 75 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.918 114.2 50.0 -64.6 -42.7 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.0 44.4 -66.7 -31.1 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 131.9 18.1 -81.5 -38.4 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.542 73.0 162.0-133.4 70.3 40.2 18.2 0.9 143 143 A P H > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.834 70.2 55.0 -58.4 -40.9 41.0 16.3 -2.3 144 144 A N H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.942 114.9 39.8 -63.2 -43.9 43.8 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 116.2 50.7 -67.0 -47.8 41.6 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.887 107.5 54.3 -58.1 -40.0 38.5 12.5 -0.4 147 147 A K H X S+ 0 0 114 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.903 108.2 49.6 -62.7 -38.2 40.6 10.6 -3.0 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.934 114.3 44.3 -65.6 -43.1 41.5 8.0 -0.4 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 114.3 48.9 -65.2 -47.8 38.0 7.5 0.8 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.896 110.1 50.7 -60.7 -42.7 36.6 7.4 -2.8 151 151 A T H X S+ 0 0 18 -4,-2.4 4,-2.8 -5,-0.3 6,-0.3 0.852 107.2 53.7 -65.3 -32.7 39.1 4.9 -4.0 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.887 108.6 50.0 -70.1 -36.3 38.3 2.6 -1.0 153 153 A F H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.891 113.5 47.6 -67.2 -36.5 34.6 2.8 -2.1 154 154 A R H < S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.946 124.7 27.5 -67.8 -47.8 35.6 1.8 -5.6 155 155 A T H < S- 0 0 51 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.701 84.8-140.3 -90.8 -27.6 37.9 -1.0 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.7 2,-0.3 1,-0.3 -62,-0.2 0.621 71.2 98.6 75.4 11.7 36.6 -2.4 -1.4 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.821 81.1-118.2-125.1 174.1 40.2 -2.9 -0.2 158 158 A W S >> S+ 0 0 35 -2,-0.3 3,-2.1 1,-0.2 4,-0.8 0.131 73.1 118.7 -94.9 15.6 42.6 -0.8 2.1 159 159 A D G >4 + 0 0 112 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.838 68.7 58.5 -52.8 -38.3 45.2 -0.2 -0.6 160 160 A A G 34 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.713 109.7 44.8 -66.6 -18.2 44.8 3.5 -0.5 161 161 A Y G <4 0 0 16 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.508 360.0 360.0-104.1 -5.3 45.7 3.5 3.2 162 162 A K << 0 0 169 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.862 360.0 360.0 -99.2 360.0 48.6 1.1 2.9