==== 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 1PQD . 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) . 8733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 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 2 1 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 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 82 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 138.3 43.0 -1.7 8.9 2 2 A N > - 0 0 69 1,-0.1 4,-2.7 156,-0.0 5,-0.2 -0.962 360.0 -84.0-155.9 172.3 39.8 -0.7 10.7 3 3 A I H > S+ 0 0 29 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.864 125.4 48.5 -52.1 -42.6 37.7 2.4 11.3 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 114.7 44.3 -67.2 -45.9 39.8 3.7 14.2 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.881 115.4 50.9 -64.8 -34.6 43.1 3.2 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.955 113.7 41.0 -67.2 -53.3 41.5 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.867 110.2 59.4 -67.5 -30.9 40.2 7.8 11.0 8 8 A R H X S+ 0 0 100 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.904 108.7 46.4 -62.4 -36.9 43.5 8.1 13.0 9 9 A I H < S+ 0 0 49 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.967 115.8 43.5 -67.3 -49.3 45.2 8.4 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.748 125.0 32.8 -68.1 -28.2 42.8 10.9 8.2 11 11 A E H < S- 0 0 40 -4,-2.5 19,-0.4 -5,-0.2 -1,-0.2 0.640 90.5-153.1-106.3 -18.2 42.6 13.1 11.3 12 12 A G < - 0 0 23 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.1 -0.158 25.7 -88.1 73.3-173.2 46.0 12.9 12.9 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.975 43.4 169.1-142.1 122.0 46.5 13.4 16.7 14 14 A R E -A 28 0A 152 14,-1.6 14,-2.6 -2,-0.4 4,-0.1 -0.996 19.6-162.6-136.2 129.6 47.1 16.8 18.4 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.9 12,-0.2 2,-0.3 0.366 75.7 63.8 -94.9 1.7 47.0 17.2 22.2 16 16 A K E S-C 57 0B 105 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.933 101.8 -88.2-121.6 147.9 46.6 21.0 22.1 17 17 A I E + 0 0 8 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.260 57.3 165.6 -56.3 136.3 43.7 22.9 20.6 18 18 A Y E -A 26 0A 29 8,-3.0 8,-3.1 -4,-0.1 2,-0.5 -0.887 38.0 -97.3-142.8 173.4 44.2 23.6 16.9 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.835 34.4-140.1-101.1 133.7 42.1 24.7 13.8 20 20 A D > - 0 0 47 4,-2.6 3,-1.8 -2,-0.5 -1,-0.1 0.060 42.0 -78.6 -77.2-170.6 40.7 22.1 11.4 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.743 134.1 49.5 -67.3 -14.7 40.5 22.3 7.6 22 22 A E T 3 S- 0 0 69 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.376 123.9-102.8 -99.0 -2.3 37.5 24.5 8.0 23 23 A G S < S+ 0 0 39 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.540 75.0 141.1 93.6 7.7 39.1 26.8 10.5 24 24 A Y - 0 0 73 1,-0.1 -4,-2.6 -5,-0.1 -1,-0.3 -0.720 59.2-103.5 -97.0 139.6 37.3 25.3 13.5 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.9 9,-0.4 9,-1.3 -0.246 55.0 156.0 -57.0 126.2 38.7 24.7 17.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.0 6,-0.3 2,-0.3 -0.900 20.2-170.4-144.0 168.8 39.4 21.0 17.4 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.961 51.3 9.7-155.9 168.8 41.7 18.7 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.6 -2,-0.3 2,-0.9 -0.401 122.0 -6.4 64.4-128.8 42.8 15.0 19.7 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.718 127.4 -52.3-105.3 77.4 41.7 12.8 16.9 30 30 A G T 4 S+ 0 0 11 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.833 84.4 162.4 63.6 30.2 39.5 15.1 14.9 31 31 A H E < -B 27 0A 30 -4,-2.1 -4,-1.4 -20,-0.1 -1,-0.2 -0.678 30.8-145.8 -84.7 100.7 37.3 16.0 17.9 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.469 18.1-176.5 -66.5 131.0 35.5 19.2 16.8 33 33 A L - 0 0 12 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.868 58.1 -31.5 -93.1 -44.7 35.0 21.5 19.8 34 34 A T - 0 0 31 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.4 -0.956 34.0-132.5-169.5 157.7 33.0 24.3 18.3 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.472 76.0 113.6 -93.2 -8.1 32.4 26.3 15.2 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.283 69.8-137.1 -64.4 145.8 32.6 29.5 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.573 76.2 104.8 -81.8 -3.3 35.6 31.8 16.6 38 38 A S > - 0 0 45 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.674 56.1-163.1 -82.5 114.6 36.0 32.2 20.3 39 39 A L H > S+ 0 0 56 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.887 95.0 55.1 -59.4 -37.8 39.0 30.3 21.7 40 40 A N H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 105.7 51.2 -61.7 -42.2 37.6 30.7 25.1 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.9 49.0 -62.0 -38.6 34.3 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.892 108.5 52.9 -68.7 -38.3 36.3 26.2 22.5 43 43 A K H X S+ 0 0 44 -4,-2.9 4,-2.3 1,-0.2 11,-0.3 0.868 107.3 52.3 -64.9 -33.7 38.2 25.8 25.8 44 44 A S H X S+ 0 0 70 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.924 108.5 50.4 -67.8 -42.1 34.9 25.6 27.6 45 45 A E H X S+ 0 0 67 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.911 109.6 51.1 -62.8 -37.6 33.7 22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.943 109.5 49.2 -65.0 -46.0 37.0 21.0 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.3 4,-2.4 1,-0.2 5,-0.9 0.916 111.3 50.3 -59.6 -41.7 36.7 21.2 29.7 48 48 A K H <5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 112.9 48.0 -61.2 -44.3 33.0 20.0 29.4 49 49 A A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 119.3 35.0 -66.0 -41.4 34.1 17.1 27.3 50 50 A I H <5S- 0 0 35 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.679 103.4-124.5 -87.2 -26.9 37.0 15.9 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.2 0.737 77.5 70.2 91.2 18.4 35.5 16.7 32.8 52 52 A R S - 0 0 10 -2,-1.1 3,-1.3 -11,-0.3 -1,-0.2 0.604 34.0-141.0 -93.5 -19.1 42.2 21.7 30.9 55 55 A N T 3 S- 0 0 115 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.851 72.6 -58.8 63.1 22.8 43.5 24.9 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.610 115.5 100.4 82.2 6.4 43.4 23.7 26.1 57 57 A V B < +C 16 0B 79 -3,-1.3 2,-0.2 -41,-0.2 -41,-0.2 -0.991 44.0 175.4-129.9 132.2 45.8 20.7 26.6 58 58 A I - 0 0 5 -43,-2.9 2,-0.1 -2,-0.4 -30,-0.1 -0.785 28.3-104.9-128.8 175.6 44.9 17.1 27.0 59 59 A T > - 0 0 70 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.447 31.6-112.1 -92.8 164.2 46.6 13.7 27.3 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 120.2 53.9 -63.8 -39.3 46.9 11.0 24.6 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 109.4 46.3 -59.5 -44.4 44.6 8.8 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.922 110.2 53.9 -64.5 -42.0 42.0 11.6 26.9 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -34,-0.4 0.929 110.0 48.2 -57.1 -43.3 42.3 12.2 23.2 64 64 A E H X S+ 0 0 86 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.863 107.9 55.5 -66.6 -34.2 41.6 8.5 22.7 65 65 A K H X S+ 0 0 136 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.962 109.7 43.9 -66.9 -46.6 38.7 8.5 25.0 66 66 A L H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.907 112.2 55.8 -63.2 -34.7 37.0 11.3 23.1 67 67 A F H X S+ 0 0 10 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.944 107.1 48.5 -62.1 -44.5 37.9 9.4 19.8 68 68 A N H X S+ 0 0 91 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.924 112.3 48.7 -61.5 -44.7 36.2 6.3 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.922 111.0 51.4 -61.9 -41.9 33.1 8.2 22.0 70 70 A D H X S+ 0 0 35 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.917 111.5 44.4 -63.1 -42.2 33.1 10.0 18.6 71 71 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.966 115.1 49.4 -66.5 -47.9 33.3 6.9 16.4 72 72 A D H X S+ 0 0 106 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.958 113.7 46.0 -54.0 -51.0 30.7 5.1 18.6 73 73 A A H X S+ 0 0 63 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.879 110.3 55.0 -62.9 -33.9 28.4 8.1 18.4 74 74 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.940 110.5 43.1 -66.1 -42.2 29.0 8.4 14.7 75 75 A V H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.955 114.3 52.2 -64.3 -46.3 28.0 4.8 14.0 76 76 A R H X S+ 0 0 110 -4,-2.9 4,-1.1 -5,-0.3 -2,-0.2 0.856 108.2 49.4 -58.6 -40.7 25.0 5.1 16.3 77 77 A G H X S+ 0 0 11 -4,-2.4 4,-0.9 -5,-0.2 3,-0.4 0.894 107.3 55.6 -67.3 -38.8 23.7 8.2 14.7 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.2 7,-0.4 0.958 106.8 51.9 -55.6 -48.8 24.0 6.5 11.3 79 79 A L H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 111.4 46.0 -60.1 -26.5 21.8 3.8 12.6 80 80 A R H 3< S+ 0 0 171 -4,-1.1 2,-0.7 -3,-0.4 -1,-0.3 0.494 92.3 92.4 -94.6 -4.8 19.2 6.2 13.8 81 81 A N XX - 0 0 36 -3,-1.3 4,-2.7 -4,-0.9 3,-0.9 -0.774 63.5-156.3 -92.0 118.9 19.1 8.2 10.6 82 82 A A T 34 S+ 0 0 86 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.785 93.3 54.5 -68.1 -16.7 16.5 7.0 8.3 83 83 A K T 34 S+ 0 0 138 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.753 120.2 29.4 -85.1 -18.3 18.3 8.4 5.4 84 84 A L T <> S+ 0 0 4 -3,-0.9 4,-2.7 -6,-0.3 3,-0.4 0.764 100.2 74.0-106.5 -34.3 21.6 6.6 6.2 85 85 A K H X S+ 0 0 85 -4,-2.7 4,-3.1 -7,-0.4 5,-0.3 0.911 96.6 51.9 -53.3 -43.4 20.8 3.4 8.0 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.907 110.6 49.1 -63.6 -34.0 19.6 1.6 4.9 87 87 A I H > S+ 0 0 7 -3,-0.4 4,-0.8 -4,-0.2 3,-0.4 0.973 112.7 47.6 -64.7 -51.0 22.7 2.5 3.1 88 88 A Y H >< S+ 0 0 38 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.930 110.7 50.6 -54.7 -51.4 24.9 1.4 5.9 89 89 A D H 3< S+ 0 0 69 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.832 105.8 57.7 -61.0 -28.1 23.1 -1.9 6.3 90 90 A S H 3< S+ 0 0 36 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.691 95.9 81.9 -76.3 -15.5 23.4 -2.6 2.5 91 91 A L S << S- 0 0 5 -3,-1.2 31,-0.0 -4,-0.8 2,-0.0 -0.561 78.5-114.4 -96.1 162.7 27.2 -2.4 2.5 92 92 A D > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.208 46.4 -94.4 -74.2 170.3 30.1 -4.8 3.4 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.818 121.5 52.7 -59.2 -36.5 32.3 -3.9 6.4 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.966 113.7 42.0 -66.6 -53.0 35.0 -2.1 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.881 110.4 59.2 -61.7 -34.3 32.6 0.3 2.7 96 96 A R H X S+ 0 0 77 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.933 102.9 51.6 -59.5 -42.6 30.7 0.7 6.0 97 97 A A H X S+ 0 0 9 -4,-1.7 4,-2.7 -3,-0.2 -1,-0.2 0.928 107.3 53.6 -59.9 -41.4 33.9 2.0 7.6 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.915 108.6 49.6 -58.2 -42.0 34.2 4.5 4.7 99 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.923 110.2 49.2 -66.0 -40.8 30.7 5.7 5.3 100 100 A V H X S+ 0 0 4 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.921 111.2 51.7 -61.7 -42.3 31.4 6.2 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.965 108.9 49.7 -57.0 -54.5 34.5 8.1 8.2 102 102 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.4 0.946 114.1 44.6 -49.8 -52.1 32.5 10.4 5.8 103 103 A I H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.920 108.7 56.8 -62.1 -40.7 29.9 11.2 8.5 104 104 A F H < S+ 0 0 33 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.948 116.2 38.6 -56.8 -41.8 32.5 11.7 11.2 105 105 A Q H < S+ 0 0 50 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.973 131.9 21.8 -72.3 -53.6 34.0 14.3 8.9 106 106 A I H X S- 0 0 42 -4,-3.3 4,-0.7 -5,-0.2 -3,-0.2 0.543 98.7-131.3 -95.1 -12.6 30.8 16.0 7.5 107 107 A G H X - 0 0 25 -4,-2.7 4,-2.6 -5,-0.4 5,-0.2 0.194 33.4 -76.0 77.5 159.8 28.2 15.2 10.0 108 108 A E H > S+ 0 0 68 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.939 135.1 51.1 -58.7 -45.3 24.8 13.8 9.3 109 109 A T H >4 S+ 0 0 130 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.912 107.5 54.9 -60.4 -34.7 23.5 17.1 8.1 110 110 A G H >< S+ 0 0 29 -4,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.957 105.1 53.0 -60.5 -48.4 26.5 17.2 5.8 111 111 A A H >< S+ 0 0 3 -4,-2.6 3,-2.6 1,-0.3 -1,-0.3 0.689 85.4 85.4 -61.9 -16.8 25.5 13.9 4.4 112 112 A A G X< S+ 0 0 45 -4,-1.1 3,-0.9 -3,-0.9 -1,-0.3 0.843 87.7 54.1 -56.0 -30.3 22.0 15.2 3.6 113 113 A G G < S+ 0 0 70 -3,-1.6 3,-0.3 -4,-0.5 -1,-0.3 0.515 94.3 72.0 -81.3 -0.5 23.4 16.5 0.4 114 114 A F G <> + 0 0 22 -3,-2.6 4,-3.0 1,-0.2 5,-0.4 0.241 55.9 121.6 -99.2 16.3 24.8 13.1 -0.6 115 115 A T H <> S+ 0 0 71 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.844 76.1 46.2 -43.6 -48.1 21.5 11.5 -1.4 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.921 114.2 45.7 -65.4 -46.4 22.4 10.7 -5.0 117 117 A S H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.924 113.4 51.0 -60.6 -46.2 25.9 9.3 -4.2 118 118 A L H X S+ 0 0 7 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.859 107.8 53.6 -60.3 -39.1 24.4 7.3 -1.3 119 119 A R H X S+ 0 0 80 -4,-2.0 4,-1.7 -5,-0.4 -1,-0.2 0.910 105.9 51.6 -64.0 -40.6 21.8 5.9 -3.6 120 120 A Y H <>S+ 0 0 53 -4,-2.1 5,-2.4 1,-0.2 4,-0.4 0.893 109.6 51.5 -64.0 -36.4 24.4 4.7 -6.1 121 121 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.926 107.4 51.8 -63.4 -42.4 26.2 3.0 -3.2 122 122 A Q H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.3 49.8 -62.7 -29.7 22.9 1.3 -2.2 123 123 A Q T 3<5S- 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.503 111.0-125.5 -85.0 -5.6 22.6 0.1 -5.8 124 124 A K T < 5 + 0 0 99 -3,-1.5 2,-1.2 -4,-0.4 -3,-0.2 0.821 61.5 145.6 62.2 36.8 26.2 -1.1 -5.7 125 125 A R >< + 0 0 97 -5,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.702 23.6 176.7-102.4 73.8 27.1 0.9 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-3.1 1,-0.2 -1,-0.2 0.884 69.7 44.7 -49.5 -54.4 30.6 1.5 -7.5 127 127 A D H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 115.5 48.0 -63.3 -41.3 32.1 3.5 -10.3 128 128 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.0 51.3 -65.9 -39.7 29.1 5.7 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.953 109.4 51.1 -61.2 -48.6 29.0 6.3 -7.0 130 130 A A H X S+ 0 0 10 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.915 110.3 47.9 -55.6 -44.3 32.6 7.3 -7.1 131 131 A V H < S+ 0 0 88 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.902 113.1 49.8 -60.1 -44.5 32.1 9.8 -9.9 132 132 A N H >< S+ 0 0 33 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.879 104.2 56.4 -65.8 -39.3 29.1 11.2 -8.2 133 133 A F H 3< S+ 0 0 0 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.808 100.3 60.5 -64.5 -28.3 30.8 11.7 -4.8 134 134 A A T 3< S+ 0 0 28 -4,-1.1 2,-1.7 -3,-0.3 -1,-0.2 0.661 84.2 80.1 -73.4 -16.3 33.6 13.8 -6.4 135 135 A K S < S+ 0 0 155 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.565 82.1 95.9 -88.6 68.1 31.1 16.4 -7.7 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.998 84.5-117.3-155.1 157.7 30.9 18.0 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.922 115.6 60.7 -61.2 -40.0 32.2 20.8 -2.1 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 107.4 43.7 -50.2 -50.5 33.6 18.1 0.2 139 139 A Y H 4 S+ 0 0 51 -6,-0.4 -1,-0.2 2,-0.2 7,-0.2 0.943 114.7 49.1 -62.6 -49.9 35.8 16.7 -2.6 140 140 A N H < S+ 0 0 108 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 115.3 43.8 -59.3 -42.7 36.9 20.1 -3.8 141 141 A Q H < S+ 0 0 109 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 131.3 19.1 -74.5 -35.3 37.9 21.3 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.623 75.0 159.8-133.4 72.5 39.7 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.876 69.0 52.6 -69.2 -34.8 40.5 16.2 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.948 115.7 40.4 -68.0 -43.6 43.2 14.0 -1.0 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 116.2 51.6 -64.9 -43.2 41.2 12.6 1.8 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.919 105.4 55.2 -61.8 -41.9 38.1 12.5 -0.4 147 147 A K H X S+ 0 0 90 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.919 109.2 49.3 -57.5 -41.3 40.0 10.6 -3.1 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.948 112.2 45.1 -63.6 -47.9 40.9 8.0 -0.4 149 149 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.2 0.946 113.3 51.5 -63.1 -44.9 37.4 7.6 0.9 150 150 A I H X S+ 0 0 13 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 0.877 106.8 52.6 -59.8 -39.7 36.0 7.4 -2.7 151 151 A T H X S+ 0 0 39 -4,-2.5 4,-2.7 -5,-0.3 5,-0.4 0.879 108.4 52.6 -64.4 -33.4 38.5 4.7 -3.7 152 152 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.923 111.0 45.3 -65.1 -46.6 37.4 2.7 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 115.2 50.3 -66.9 -32.8 33.7 3.0 -1.7 154 154 A R H < S+ 0 0 95 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.928 126.1 19.5 -71.8 -42.0 34.7 2.1 -5.2 155 155 A T H < S- 0 0 46 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.654 85.5-132.4-104.2 -22.2 36.8 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.3 -5,-0.4 -62,-0.2 0.783 72.8 110.1 74.6 21.5 35.8 -2.2 -1.2 157 157 A T S S- 0 0 50 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.857 73.2-130.2-126.9 162.4 39.5 -2.6 -0.3 158 158 A W >> + 0 0 51 -2,-0.3 3,-2.1 1,-0.2 4,-0.7 0.178 68.7 120.9 -97.8 16.1 41.9 -0.7 2.0 159 159 A D G >4 + 0 0 94 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.827 68.7 58.6 -48.0 -39.3 44.5 -0.2 -0.7 160 160 A A G 34 S+ 0 0 28 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.669 107.3 46.5 -68.6 -17.7 44.3 3.6 -0.4 161 161 A Y G X4 S+ 0 0 2 -3,-2.1 3,-1.2 -13,-0.1 -1,-0.2 0.431 87.6 104.7-103.2 -3.0 45.3 3.5 3.3 162 162 A K T << S+ 0 0 110 -3,-0.9 -3,-0.0 -4,-0.7 0, 0.0 -0.547 80.9 30.1 -76.9 144.7 48.1 1.1 2.9 163 163 A N T 3 0 0 162 -2,-0.2 -1,-0.3 0, 0.0 -4,-0.0 0.529 360.0 360.0 82.1 6.5 51.5 2.7 3.2 164 164 A L < 0 0 110 -3,-1.2 -2,-0.2 0, 0.0 -3,-0.0 0.655 360.0 360.0-114.8 360.0 49.9 5.3 5.5