==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-03 1PQM . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.MOOERS,D.DATTA,W.A.BAASE,E.S.ZOLLARS,S.L.MAYO, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 10 6.1 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 2 1 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 1 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 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 0.000 360.0 360.0 360.0 151.2 43.1 -1.6 8.7 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.926 360.0 -82.9-161.0 170.2 39.8 -0.7 10.5 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.833 125.9 50.9 -51.7 -40.0 37.7 2.4 11.0 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 114.4 41.8 -64.5 -48.0 39.8 3.6 14.0 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.885 114.7 53.8 -67.1 -33.0 43.1 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.949 112.9 40.3 -67.3 -51.6 41.5 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.824 109.2 61.1 -69.6 -26.5 40.3 7.9 10.7 8 8 A R H X S+ 0 0 105 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.899 108.6 45.3 -64.1 -36.6 43.5 8.1 12.8 9 9 A I H < S+ 0 0 50 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.947 116.9 43.8 -67.6 -47.1 45.2 8.5 9.4 10 10 A D H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.813 125.4 31.4 -68.7 -34.1 42.7 11.0 8.0 11 11 A E H < S- 0 0 42 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.686 91.7-154.4 -98.5 -23.7 42.5 13.1 11.1 12 12 A G < - 0 0 23 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 -0.238 26.5 -87.7 75.3-170.9 46.0 12.9 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.940 45.0 168.7-143.9 116.6 46.5 13.3 16.5 14 14 A R E -A 28 0A 148 14,-1.8 14,-2.8 -2,-0.3 4,-0.1 -0.999 19.8-161.4-131.4 129.1 47.2 16.8 18.0 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.5 12,-0.2 2,-0.4 0.503 72.9 64.3 -91.0 -5.8 47.1 17.3 21.8 16 16 A K E S-C 57 0B 133 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.902 101.6 -86.8-117.0 148.9 46.6 21.0 21.8 17 17 A I E + 0 0 32 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.262 59.2 164.7 -52.8 132.5 43.6 22.9 20.5 18 18 A Y E -A 26 0A 28 8,-2.7 8,-3.0 -4,-0.1 2,-0.5 -0.866 38.4 -98.0-141.7 174.6 44.1 23.6 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.861 34.2-136.6-105.8 137.0 41.9 24.6 13.8 20 20 A D > - 0 0 44 4,-2.9 3,-1.9 -2,-0.5 -1,-0.1 0.067 41.8 -79.2 -73.2-172.2 40.5 22.0 11.5 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.751 133.6 50.0 -66.2 -20.0 40.3 22.3 7.7 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.358 123.3-103.1 -93.8 0.5 37.3 24.5 8.0 23 23 A G S < S+ 0 0 39 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.576 76.5 138.7 89.2 13.5 39.0 26.8 10.5 24 24 A Y - 0 0 68 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.728 61.0-103.4 -99.7 141.6 37.1 25.4 13.6 25 25 A Y E +A 19 0A 37 9,-0.5 8,-2.5 11,-0.5 9,-1.2 -0.347 54.5 156.0 -61.5 134.2 38.7 24.7 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.915 21.2-162.9-148.1 170.2 39.3 21.0 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 2,-0.2 -0.977 52.3 6.0-155.1 163.7 41.6 18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.8 -2,-0.3 2,-1.0 -0.419 123.4 -5.9 68.5-131.6 42.9 15.1 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.663 128.8 -52.8-100.3 72.9 41.9 12.9 16.6 30 30 A G T 4 S+ 0 0 11 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.808 81.2 164.3 68.2 27.3 39.6 15.3 14.8 31 31 A H E < -B 27 0A 30 -4,-2.4 -4,-1.7 -20,-0.1 2,-0.2 -0.682 30.5-144.0 -84.8 103.3 37.4 16.1 17.8 32 32 A L E -B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.452 19.0-176.9 -64.9 126.3 35.5 19.2 16.8 33 33 A L - 0 0 13 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.908 57.2 -34.1 -91.1 -44.9 35.0 21.4 19.8 34 34 A T - 0 0 29 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.977 33.8-129.3-170.7 161.1 32.9 24.2 18.3 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.473 76.1 113.5 -96.7 -6.7 32.2 26.3 15.3 36 36 A S - 0 0 38 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.318 68.5-138.3 -65.7 146.3 32.5 29.4 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.545 74.6 103.9 -83.4 -2.4 35.4 31.8 16.7 38 38 A S > - 0 0 52 1,-0.2 4,-2.1 2,-0.0 5,-0.1 -0.700 58.7-158.8 -84.3 119.2 36.0 32.3 20.3 39 39 A L H > S+ 0 0 66 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.864 96.4 55.1 -62.0 -32.3 39.0 30.3 21.7 40 40 A N H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 104.4 51.7 -68.1 -39.1 37.5 30.6 25.1 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 110.7 50.0 -61.7 -39.5 34.3 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.903 109.3 50.1 -62.9 -42.8 36.4 26.2 22.5 43 43 A K H X S+ 0 0 71 -4,-2.7 4,-2.6 1,-0.2 11,-0.2 0.899 108.5 53.3 -65.1 -38.1 38.3 25.7 25.7 44 44 A S H X S+ 0 0 75 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 108.8 49.0 -59.7 -44.8 35.0 25.6 27.6 45 45 A E H X S+ 0 0 69 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.920 109.8 53.8 -60.9 -40.5 33.8 22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.954 108.6 47.2 -60.4 -48.0 37.1 21.0 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.6 4,-2.7 1,-0.2 5,-1.2 0.922 112.0 49.8 -61.7 -39.4 36.7 21.1 29.6 48 48 A K H <5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.8 48.5 -66.6 -37.2 33.1 19.9 29.5 49 49 A A H <5S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.887 119.6 36.0 -70.7 -36.0 34.1 17.1 27.2 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.734 104.2-124.9 -87.2 -29.0 37.1 15.9 29.3 51 51 A G T <5S+ 0 0 65 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.748 77.5 72.6 90.8 22.6 35.5 16.6 32.6 52 52 A R S - 0 0 8 -2,-1.1 3,-1.2 -11,-0.2 2,-0.7 0.043 34.8-128.2 -85.1 168.4 42.4 21.8 30.9 55 55 A N T 3 S- 0 0 133 1,-0.3 3,-0.1 -39,-0.1 -2,-0.1 0.856 71.4 -80.9-104.4 30.7 45.0 24.3 29.7 56 56 A G T 3 S+ 0 0 8 -2,-0.7 -39,-1.9 1,-0.3 2,-0.4 0.594 113.0 101.2 78.4 15.6 43.7 23.7 26.1 57 57 A V B < -C 16 0B 32 -3,-1.2 2,-0.3 -41,-0.2 -1,-0.3 -0.990 50.0-177.1-133.0 138.4 45.9 20.5 26.2 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.832 27.0-104.7-129.9 170.7 45.0 16.9 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.421 32.9-110.3 -88.8 166.7 46.7 13.6 27.1 60 60 A K H > S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 120.4 52.7 -62.5 -40.5 46.9 10.9 24.4 61 61 A D H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 110.0 48.3 -63.2 -39.8 44.7 8.7 26.4 62 62 A E H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 110.4 51.7 -66.8 -40.9 42.1 11.5 26.8 63 63 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -34,-0.4 0.936 111.2 48.0 -59.4 -45.1 42.3 12.1 23.0 64 64 A E H X S+ 0 0 82 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.845 107.7 56.3 -64.5 -32.2 41.7 8.4 22.4 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.961 109.7 43.7 -64.8 -47.9 38.8 8.5 24.8 66 66 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.893 112.4 54.8 -63.3 -35.2 37.0 11.3 22.9 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.935 106.3 50.1 -63.9 -44.2 37.8 9.5 19.6 68 68 A N H X S+ 0 0 87 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.935 112.8 47.6 -57.4 -46.1 36.2 6.3 20.7 69 69 A Q H X S+ 0 0 93 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.900 111.6 51.5 -59.4 -42.7 33.1 8.3 21.7 70 70 A D H X S+ 0 0 32 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.899 110.0 46.7 -64.3 -41.5 33.2 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.946 113.7 49.0 -65.8 -47.7 33.3 7.0 16.3 72 72 A D H X S+ 0 0 66 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.943 110.6 51.7 -57.1 -43.8 30.6 5.4 18.3 73 73 A A H X S+ 0 0 61 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.876 107.6 51.7 -60.9 -38.6 28.5 8.5 17.9 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.939 112.4 45.4 -65.3 -45.5 28.9 8.5 14.2 75 75 A V H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.946 113.2 51.2 -58.6 -47.1 27.8 4.9 13.9 76 76 A R H X S+ 0 0 105 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.932 108.7 50.8 -58.4 -40.5 24.9 5.7 16.2 77 77 A G H X S+ 0 0 9 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.903 108.5 51.0 -65.2 -41.8 23.9 8.6 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 7,-0.4 0.950 109.8 50.9 -57.8 -49.9 23.9 6.6 10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.734 111.1 48.6 -61.6 -28.3 21.7 3.9 12.6 80 80 A R H 3< S+ 0 0 201 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.558 94.6 91.0 -87.6 -9.9 19.2 6.6 13.7 81 81 A N S+ 0 0 126 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.822 119.9 38.9 -87.3 -32.1 18.4 8.0 4.9 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 5,-0.3 0.851 101.4 67.0 -89.1 -33.1 21.6 6.6 6.1 85 85 A K H X S+ 0 0 87 -4,-2.8 4,-3.2 -7,-0.4 5,-0.3 0.932 99.5 50.2 -54.0 -50.1 20.7 3.4 7.8 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.918 113.0 46.7 -57.0 -43.7 19.5 1.5 4.8 87 87 A V H X S+ 0 0 4 -4,-0.6 4,-1.0 2,-0.2 3,-0.3 0.967 113.0 48.9 -63.7 -48.9 22.6 2.3 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.944 111.4 49.5 -54.7 -49.3 24.8 1.3 5.8 89 89 A D H 3< S+ 0 0 68 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.841 107.5 56.1 -61.8 -29.6 23.0 -1.9 6.2 90 90 A S H 3< S+ 0 0 35 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.737 97.0 86.6 -74.8 -19.3 23.3 -2.7 2.5 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-1.0 31,-0.0 -0.453 77.8-116.2 -87.0 161.8 27.1 -2.4 2.6 92 92 A D > - 0 0 56 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.320 45.1 -95.7 -78.6 166.7 30.0 -4.7 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.828 121.7 52.4 -57.2 -36.7 32.2 -3.9 6.4 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.956 113.0 43.0 -68.3 -49.8 34.9 -2.1 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.873 108.0 60.5 -65.0 -33.2 32.5 0.3 2.7 96 96 A R H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.927 102.0 53.4 -57.8 -42.3 30.6 0.8 6.0 97 97 A A H X S+ 0 0 5 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.931 105.4 54.7 -58.7 -42.7 33.8 2.2 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.921 109.5 46.7 -57.1 -42.8 34.0 4.6 4.5 99 99 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.929 110.5 51.6 -67.8 -39.6 30.5 5.9 5.3 100 100 A I H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.931 107.7 54.0 -61.1 -41.6 31.3 6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.927 108.2 48.9 -58.5 -44.7 34.4 8.2 8.1 102 102 A M H X S+ 0 0 2 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.916 112.1 48.3 -59.7 -44.3 32.2 10.6 6.0 103 103 A V H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.893 109.2 52.9 -65.9 -36.9 29.7 11.1 8.9 104 104 A F H < S+ 0 0 33 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.929 116.0 41.2 -64.8 -39.0 32.5 11.7 11.4 105 105 A Q H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.908 133.3 17.3 -74.1 -42.3 33.9 14.4 9.1 106 106 A M H X S- 0 0 50 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.478 103.1-110.9-111.7 -11.2 30.6 16.0 8.1 107 107 A G H X - 0 0 30 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.135 33.9 -82.1 91.4 150.7 27.9 15.0 10.4 108 108 A E H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.910 129.9 50.0 -53.6 -50.1 24.9 12.8 9.9 109 109 A T H > S+ 0 0 118 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.923 108.4 52.2 -58.0 -49.1 22.9 15.5 8.4 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-1.4 1,-0.2 -2,-0.2 0.971 114.3 43.1 -54.3 -55.3 25.7 16.5 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.873 104.7 61.8 -62.5 -39.0 26.0 12.9 4.7 112 112 A A H 3< S+ 0 0 12 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.722 94.7 66.5 -61.9 -17.2 22.3 12.3 4.5 113 113 A G T << S+ 0 0 57 -3,-1.4 2,-0.8 -4,-0.9 3,-0.3 0.499 75.5 86.3 -80.8 -3.2 22.2 15.1 1.9 114 114 A F <> + 0 0 43 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 -0.227 56.3 154.3 -89.0 45.9 24.2 13.0 -0.6 115 115 A T H > + 0 0 77 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.814 64.1 44.6 -41.9 -52.6 21.0 11.5 -1.8 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.885 115.1 48.2 -66.3 -39.9 22.0 10.5 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 109.9 53.9 -65.1 -41.6 25.3 9.1 -4.2 118 118 A L H X S+ 0 0 11 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.884 107.2 50.2 -58.3 -43.5 23.7 7.2 -1.5 119 119 A R H X S+ 0 0 113 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.946 109.7 50.5 -64.2 -44.6 21.2 5.6 -3.9 120 120 A M H <>S+ 0 0 39 -4,-2.3 5,-2.6 1,-0.2 4,-0.4 0.896 111.1 49.6 -62.0 -37.0 24.1 4.6 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.906 109.4 50.7 -66.3 -39.9 25.9 3.0 -3.3 122 122 A Q H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 110.7 49.7 -66.6 -30.7 22.8 1.2 -2.3 123 123 A Q T 3<5S- 0 0 89 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.514 111.9-123.8 -81.3 -8.1 22.5 -0.1 -5.9 124 124 A K T < 5 + 0 0 99 -3,-0.9 2,-1.4 -4,-0.4 -3,-0.2 0.837 60.2 149.9 65.4 32.9 26.1 -1.2 -5.8 125 125 A R >< + 0 0 121 -5,-2.6 4,-2.8 1,-0.2 5,-0.2 -0.679 20.7 176.1 -95.6 73.9 26.9 1.0 -8.9 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.844 68.5 42.9 -52.6 -50.4 30.4 1.5 -7.7 127 127 A D H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 117.1 47.0 -69.0 -39.7 31.9 3.5 -10.5 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 111.0 51.2 -68.2 -37.9 29.0 5.7 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.928 109.0 53.5 -60.0 -43.4 28.7 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.898 109.5 46.7 -58.2 -44.8 32.4 7.3 -7.2 131 131 A V H < S+ 0 0 87 -4,-2.0 4,-0.5 1,-0.2 3,-0.4 0.913 114.4 48.0 -65.1 -42.2 31.9 9.8 -10.0 132 132 A N H >< S+ 0 0 36 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.900 105.4 57.4 -67.1 -38.5 28.9 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.3 1,-0.3 -1,-0.2 0.799 100.4 59.6 -59.8 -32.3 30.6 11.6 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.0 2,-1.9 -3,-0.4 -1,-0.3 0.640 83.9 82.1 -73.0 -17.9 33.3 13.7 -6.5 135 135 A K S < S+ 0 0 150 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.499 79.9 98.9 -87.4 68.4 30.7 16.3 -7.5 136 136 A S S > S- 0 0 16 -2,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.996 84.0-119.9-152.6 155.3 30.7 17.9 -4.1 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.922 115.8 61.7 -60.5 -37.7 32.0 20.8 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.932 106.0 43.0 -51.4 -49.3 33.5 17.9 0.2 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.942 115.5 49.1 -66.2 -43.5 35.6 16.6 -2.6 140 140 A N H < S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.1 41.5 -65.5 -39.0 36.7 20.1 -3.7 141 141 A Q H < S+ 0 0 113 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.863 132.1 21.9 -76.9 -36.3 37.7 21.2 -0.2 142 142 A T S X S+ 0 0 18 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.3 -0.593 74.0 159.3-129.6 73.7 39.4 18.0 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.891 69.0 51.6 -66.9 -42.9 40.3 16.2 -2.3 144 144 A N H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.944 116.9 40.6 -61.0 -43.8 43.1 13.9 -1.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 114.4 52.1 -67.1 -46.7 40.9 12.5 1.7 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 -8,-0.2 5,-0.2 0.910 107.3 54.3 -56.7 -41.7 37.8 12.4 -0.5 147 147 A K H X S+ 0 0 99 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.910 107.5 49.8 -60.1 -40.2 39.8 10.5 -3.1 148 148 A R H X S+ 0 0 55 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.964 113.5 45.3 -64.0 -47.9 40.8 7.9 -0.5 149 149 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.924 111.8 52.3 -59.9 -44.0 37.2 7.4 0.7 150 150 A I H X S+ 0 0 15 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.912 107.0 52.9 -61.9 -40.9 35.9 7.3 -2.9 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.9 -5,-0.2 6,-0.4 0.869 107.3 52.0 -63.4 -33.5 38.4 4.5 -3.7 152 152 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.920 112.2 45.2 -69.1 -42.3 37.2 2.4 -0.8 153 153 A F H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.895 115.7 48.7 -68.2 -32.8 33.6 2.8 -1.9 154 154 A R H < S+ 0 0 113 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.949 128.2 20.2 -67.2 -47.5 34.7 2.0 -5.5 155 155 A T H < S- 0 0 50 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.634 85.9-133.5 -98.5 -25.0 36.8 -1.1 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.8 2,-0.3 -5,-0.3 -62,-0.2 0.708 73.5 106.9 74.0 18.9 35.7 -2.3 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.821 74.6-128.8-125.5 167.7 39.4 -2.6 -0.3 158 158 A W >> + 0 0 38 -2,-0.3 3,-2.1 1,-0.2 4,-0.6 0.216 69.5 119.0-101.1 15.8 41.7 -0.7 2.0 159 159 A D G >4 + 0 0 100 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.825 66.9 62.7 -50.8 -38.7 44.4 -0.2 -0.6 160 160 A A G 34 S+ 0 0 28 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.739 107.1 44.4 -61.4 -22.4 44.1 3.6 -0.5 161 161 A Y G X4 S+ 0 0 2 -3,-2.1 3,-1.2 -13,-0.1 2,-0.3 0.481 86.2 114.0-100.2 -3.7 45.2 3.5 3.1 162 162 A K T << S+ 0 0 111 -3,-1.4 -3,-0.0 -4,-0.6 0, 0.0 -0.584 83.3 16.5 -73.2 127.2 48.0 1.1 2.5 163 163 A N T 3 0 0 167 -2,-0.3 -1,-0.3 1,-0.0 -2,-0.0 0.674 360.0 360.0 79.3 30.6 51.4 2.8 3.2 164 164 A L < 0 0 114 -3,-1.2 -2,-0.1 0, 0.0 -3,-0.0 0.142 360.0 360.0-112.0 360.0 50.0 5.8 5.1