==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 13-JUN-95 191L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR X.-J.ZHANG,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8423.0 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 . 10 6.2 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 1 0 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 81 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 152.6 43.7 -1.8 8.9 2 2 A N > - 0 0 66 95,-0.0 4,-2.9 1,-0.0 5,-0.2 -0.911 360.0 -89.5-146.1 171.8 40.7 -0.7 10.8 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.840 123.2 50.7 -52.2 -38.8 38.5 2.3 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 112.7 45.0 -67.8 -46.1 40.7 3.7 14.1 5 5 A E H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.894 113.8 51.8 -65.5 -36.3 43.8 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.929 112.0 42.4 -64.3 -51.8 42.2 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.846 108.8 61.1 -66.0 -28.5 40.8 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.918 107.4 46.3 -63.0 -39.3 44.2 8.3 12.7 9 9 A I H < S+ 0 0 88 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 116.6 42.3 -66.1 -49.1 45.8 8.6 9.3 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.846 126.4 30.1 -68.1 -35.1 43.2 11.1 7.9 11 11 A E H < S- 0 0 45 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.708 91.8-151.7 -97.2 -26.3 42.9 13.3 11.1 12 12 A G < - 0 0 24 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.1 -0.125 23.2 -86.8 77.7-173.8 46.3 13.1 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.966 43.9 168.9-137.5 119.3 47.0 13.5 16.5 14 14 A R E -A 28 0A 134 14,-2.1 14,-2.4 -2,-0.4 4,-0.1 -1.000 19.9-163.9-135.6 131.8 47.5 16.8 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-1.9 12,-0.2 2,-0.4 0.304 73.4 63.0 -94.4 3.3 47.6 17.4 21.9 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.964 100.4 -83.8-130.0 150.0 47.2 21.0 21.9 17 17 A I E + 0 0 19 39,-2.0 2,-0.3 -2,-0.4 10,-0.2 -0.197 58.3 169.3 -48.6 132.6 44.3 23.1 20.6 18 18 A Y E -A 26 0A 25 8,-2.8 8,-3.0 -4,-0.1 2,-0.5 -0.901 37.0-104.6-141.8 170.3 44.5 23.7 16.9 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.844 33.2-143.8 -98.5 130.3 42.5 25.0 13.9 20 20 A D > - 0 0 53 4,-2.8 3,-1.8 -2,-0.5 -1,-0.1 0.010 44.7 -74.7 -75.6-170.7 41.1 22.4 11.5 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.757 135.8 46.5 -63.4 -25.3 40.9 23.0 7.7 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.257 124.2-102.3 -96.3 6.6 37.9 25.3 8.0 23 23 A G S < S+ 0 0 33 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.665 74.2 142.3 81.7 19.1 39.6 27.3 10.9 24 24 A Y - 0 0 73 1,-0.1 -4,-2.8 9,-0.0 2,-0.3 -0.733 58.0-103.5 -97.8 150.6 37.7 25.7 13.7 25 25 A Y E +AB 19 34A 27 9,-0.9 8,-3.1 11,-0.4 9,-1.5 -0.471 53.5 154.8 -71.7 125.2 39.1 24.9 17.0 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.8 -2,-0.3 2,-0.3 -0.851 19.8-165.9-139.2 171.7 39.8 21.1 17.5 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 2,-0.2 -0.977 51.8 9.1-157.7 166.4 42.0 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-2.1 -2,-0.3 2,-0.8 -0.460 122.6 -8.4 71.9-132.7 43.2 15.4 19.6 29 29 A I T 4 S- 0 0 5 34,-0.3 -1,-0.2 -16,-0.2 -17,-0.1 -0.760 128.3 -51.5-104.7 72.9 42.3 13.1 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-0.9 -19,-0.4 -2,-0.2 0.775 84.6 159.4 66.9 31.1 39.9 15.4 14.9 31 31 A H E < -B 27 0A 31 -4,-2.0 -4,-1.7 1,-0.0 2,-0.2 -0.733 34.1-141.1 -89.9 105.0 37.7 16.3 17.9 32 32 A L E -B 26 0A 72 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.388 20.5-178.3 -64.3 127.6 35.9 19.6 17.1 33 33 A L E - 0 0 16 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.924 60.6 -27.5 -91.6 -47.5 35.6 21.8 20.1 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.9 2,-0.1 -1,-0.4 -0.987 35.4-134.4-166.3 153.3 33.6 24.7 18.7 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.670 75.0 111.9 -85.5 -15.5 32.8 26.7 15.5 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.187 73.0-131.7 -63.9 142.7 33.3 29.9 17.4 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.670 76.4 105.1 -66.0 -20.0 36.2 32.3 16.8 38 38 A S > - 0 0 51 1,-0.2 4,-2.3 -13,-0.0 5,-0.1 -0.542 55.2-161.6 -77.1 119.8 37.0 32.5 20.5 39 39 A L H > S+ 0 0 65 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.855 95.6 55.4 -64.9 -30.2 40.0 30.7 21.9 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.959 104.5 50.1 -67.9 -47.6 38.4 31.0 25.3 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 111.3 51.1 -56.2 -39.8 35.3 29.4 24.3 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.959 109.6 49.6 -59.5 -52.1 37.5 26.7 22.9 43 43 A K H X S+ 0 0 70 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.858 110.0 51.5 -57.6 -34.1 39.3 26.4 26.1 44 44 A S H X S+ 0 0 72 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.907 109.0 49.6 -74.7 -34.4 36.0 26.2 28.0 45 45 A E H X S+ 0 0 57 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.921 109.9 52.3 -66.8 -39.3 34.7 23.4 25.8 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.4 0.936 109.1 48.6 -59.6 -47.1 37.9 21.5 26.3 47 47 A D H X>S+ 0 0 51 -4,-1.9 4,-2.5 1,-0.2 5,-0.8 0.940 112.5 49.1 -59.7 -40.6 37.8 21.7 30.1 48 48 A K H <5S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 111.6 48.4 -69.7 -30.8 34.2 20.6 30.0 49 49 A A H <5S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.840 120.0 35.8 -78.0 -32.8 34.9 17.7 27.8 50 50 A I H <5S- 0 0 39 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.802 103.7-127.2 -88.7 -36.4 37.9 16.3 29.7 51 51 A G T <5S+ 0 0 65 -4,-2.5 2,-0.3 -5,-0.4 -3,-0.2 0.724 76.0 71.2 95.8 22.0 36.6 17.2 33.1 52 52 A R S - 0 0 8 -2,-1.3 3,-1.3 -11,-0.2 -1,-0.2 0.650 33.5-143.4 -86.6 -18.0 43.6 21.6 30.8 55 55 A A T 3 S- 0 0 81 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.939 75.6 -51.3 54.6 41.7 44.9 25.0 29.9 56 56 A G T 3 S+ 0 0 1 -13,-0.2 -39,-2.0 1,-0.1 2,-0.3 0.547 120.7 91.1 73.6 9.6 44.5 24.0 26.1 57 57 A A B < -C 16 0B 40 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.983 47.4-177.3-140.0 148.3 46.5 20.7 26.3 58 58 A I - 0 0 8 -43,-1.9 2,-0.2 -2,-0.3 -30,-0.1 -0.839 27.0-106.9-134.6 169.7 45.6 17.1 26.8 59 59 A T > - 0 0 64 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.557 34.2-104.5 -95.4 170.8 47.4 13.9 27.1 60 60 A K H > S+ 0 0 104 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.884 121.8 52.1 -52.5 -47.2 47.6 11.0 24.6 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.844 109.4 49.5 -61.0 -37.7 45.2 9.0 26.7 62 62 A E H > S+ 0 0 39 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.931 108.4 52.1 -71.0 -44.0 42.8 11.8 26.8 63 63 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -34,-0.3 0.931 111.0 49.8 -57.6 -41.8 43.0 12.2 23.1 64 64 A E H X S+ 0 0 78 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.797 106.8 53.5 -69.1 -27.9 42.2 8.5 22.7 65 65 A K H X S+ 0 0 138 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.919 108.1 48.6 -73.7 -40.9 39.3 8.5 24.9 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.899 111.3 53.4 -61.4 -37.6 37.7 11.3 23.0 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.916 106.9 50.3 -66.6 -41.0 38.4 9.4 19.8 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.947 112.5 47.9 -61.7 -43.9 36.7 6.3 21.1 69 69 A Q H X S+ 0 0 101 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 112.4 48.6 -61.3 -43.3 33.7 8.3 22.1 70 70 A D H X S+ 0 0 37 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.895 111.4 48.4 -66.8 -39.6 33.6 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.932 112.4 48.5 -66.1 -44.6 33.9 6.8 16.7 72 72 A D H X S+ 0 0 84 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.902 110.5 51.7 -59.8 -40.7 31.2 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.902 109.3 50.4 -64.8 -38.0 28.9 8.2 18.3 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.934 111.1 47.6 -66.5 -45.2 29.4 8.1 14.5 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.946 114.8 46.0 -61.6 -45.8 28.6 4.4 14.2 76 76 A R H X S+ 0 0 116 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.909 109.1 55.6 -66.2 -34.6 25.5 4.8 16.4 77 77 A G H X S+ 0 0 1 -4,-2.5 4,-0.6 -5,-0.2 3,-0.3 0.922 108.5 48.2 -63.2 -41.3 24.4 7.9 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 7,-0.4 0.956 110.5 51.1 -60.3 -49.9 24.5 6.0 11.2 79 79 A L H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 112.8 45.7 -65.1 -20.4 22.5 3.1 12.7 80 80 A R H 3< S+ 0 0 169 -4,-1.4 2,-0.6 -3,-0.3 -1,-0.3 0.441 92.9 97.2 -95.3 -13.6 19.8 5.4 13.9 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.5 0.848 100.2 68.8 -89.9 -36.0 22.1 5.9 6.3 85 85 A K H 3X S+ 0 0 86 -4,-2.8 4,-3.1 -7,-0.4 5,-0.2 0.891 97.1 50.9 -52.2 -50.2 21.4 2.7 8.0 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.835 112.2 50.1 -60.8 -31.7 20.2 0.7 5.0 87 87 A V H <> S+ 0 0 2 -3,-0.5 4,-1.1 -4,-0.4 3,-0.4 0.944 109.9 48.2 -68.6 -50.2 23.3 1.7 3.1 88 88 A Y H >< S+ 0 0 35 -4,-2.4 3,-1.4 1,-0.3 -3,-0.2 0.968 110.5 52.8 -55.5 -46.3 25.5 0.7 5.9 89 89 A D H 3< S+ 0 0 77 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.803 106.5 54.2 -60.7 -29.4 23.7 -2.6 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.671 95.6 88.8 -79.1 -16.6 24.2 -3.2 2.4 91 91 A L S << S- 0 0 5 -3,-1.4 2,-0.0 -4,-1.1 31,-0.0 -0.476 74.1-117.6 -88.1 160.2 27.9 -2.8 2.4 92 92 A D > - 0 0 55 -2,-0.1 4,-1.9 1,-0.1 -1,-0.1 -0.202 45.4 -92.6 -79.4 169.7 30.9 -5.1 3.0 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.871 121.6 49.8 -57.9 -39.7 33.3 -4.4 5.9 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.1 62,-0.2 3,-0.5 0.961 112.6 46.5 -66.3 -46.8 35.9 -2.3 4.1 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.788 102.5 63.5 -65.7 -29.4 33.3 0.0 2.6 96 96 A R H X S+ 0 0 79 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.910 100.3 54.8 -60.5 -37.2 31.5 0.4 5.9 97 97 A C H X S+ 0 0 19 -4,-1.2 4,-2.3 -3,-0.5 -1,-0.2 0.886 103.8 54.4 -62.9 -35.2 34.6 2.0 7.2 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.890 108.7 48.9 -64.3 -38.5 34.5 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.921 110.0 50.6 -68.1 -41.2 31.0 5.5 5.3 100 100 A I H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.938 105.6 58.0 -62.8 -39.8 32.0 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.943 106.8 47.0 -55.6 -44.5 34.9 8.2 7.9 102 102 A M H X S+ 0 0 4 -4,-1.7 4,-3.3 2,-0.2 5,-0.4 0.900 110.7 51.1 -67.0 -39.8 32.6 10.6 6.2 103 103 A V H X S+ 0 0 9 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.935 108.6 52.3 -65.4 -40.7 30.1 10.8 9.1 104 104 A F H < S+ 0 0 30 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 116.5 40.3 -58.0 -46.6 33.0 11.4 11.4 105 105 A Q H < S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.933 134.1 14.0 -71.3 -50.7 34.1 14.3 9.2 106 106 A M H X S- 0 0 55 -4,-3.3 4,-0.6 -5,-0.2 -3,-0.2 0.486 101.1-117.3-113.0 4.2 30.9 15.9 8.2 107 107 A G H X - 0 0 30 -4,-2.5 4,-2.4 -5,-0.4 5,-0.2 0.153 35.0 -75.3 80.2 156.8 28.2 14.6 10.4 108 108 A E H > S+ 0 0 54 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.871 125.7 50.7 -59.8 -47.1 25.2 12.6 9.6 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.878 110.7 50.7 -64.3 -39.9 23.1 15.3 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.8 1,-0.2 4,-0.3 0.956 114.0 43.2 -65.4 -44.5 25.8 16.2 5.9 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.897 106.7 60.2 -66.9 -36.5 26.3 12.8 4.7 112 112 A A H 3< S+ 0 0 11 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.709 93.7 70.5 -64.8 -17.9 22.6 12.1 4.4 113 113 A G T << S+ 0 0 55 -4,-0.9 2,-2.3 -3,-0.8 -1,-0.3 0.690 73.9 84.2 -70.6 -21.5 22.6 14.9 1.9 114 114 A F <> + 0 0 41 -3,-2.0 4,-2.7 -4,-0.3 5,-0.2 -0.289 56.8 160.4 -81.7 58.9 24.5 12.9 -0.7 115 115 A T H > + 0 0 96 -2,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.840 67.2 42.9 -46.3 -56.9 21.3 11.3 -1.9 116 116 A N H > S+ 0 0 66 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.933 113.8 50.3 -61.4 -48.5 22.5 10.2 -5.3 117 117 A S H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 110.7 52.1 -56.3 -42.8 25.8 8.8 -4.1 118 118 A L H X S+ 0 0 14 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.931 108.9 49.7 -60.2 -44.1 24.0 6.9 -1.4 119 119 A R H X S+ 0 0 121 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.913 111.0 48.7 -64.3 -38.3 21.6 5.4 -3.9 120 120 A M H <>S+ 0 0 22 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.849 109.2 53.0 -68.2 -39.6 24.5 4.3 -6.1 121 121 A L H ><5S+ 0 0 3 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.925 108.7 50.8 -61.0 -42.9 26.4 2.7 -3.2 122 122 A Q H 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.891 109.9 47.7 -61.5 -38.9 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 101 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.496 112.6-120.7 -80.9 -4.2 22.9 -0.5 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.1 2,-1.2 -4,-0.5 -3,-0.2 0.783 63.8 144.5 68.7 33.0 26.7 -1.4 -5.9 125 125 A R >< + 0 0 121 -5,-2.3 4,-1.7 1,-0.2 -1,-0.2 -0.759 23.7 177.4-101.0 81.2 27.5 0.8 -8.9 126 126 A W H > S+ 0 0 52 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.827 70.8 46.7 -60.6 -43.0 30.9 1.7 -7.6 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 112.3 50.7 -71.9 -34.5 32.2 3.9 -10.4 128 128 A A H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.864 110.2 51.0 -70.1 -31.6 29.1 5.8 -10.6 129 129 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 -9,-0.2 -2,-0.2 0.946 106.7 54.2 -68.7 -40.3 29.2 6.4 -6.9 130 130 A A H X S+ 0 0 13 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.864 109.8 47.6 -58.5 -38.7 32.8 7.6 -7.1 131 131 A A H X S+ 0 0 47 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.888 110.6 50.0 -73.7 -39.4 31.8 10.2 -9.7 132 132 A A H >< S+ 0 0 19 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.902 108.9 52.1 -66.6 -38.8 28.9 11.4 -7.8 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.862 102.6 61.5 -64.9 -31.7 30.9 11.9 -4.6 134 134 A A H 3< S+ 0 0 28 -4,-1.3 2,-1.5 1,-0.2 -1,-0.2 0.635 85.1 77.5 -70.6 -14.2 33.5 13.9 -6.5 135 135 A K S << S+ 0 0 177 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.445 81.7 96.0 -94.9 66.2 31.1 16.6 -7.4 136 136 A S S > S- 0 0 19 -2,-1.5 4,-2.1 1,-0.1 3,-0.2 -0.992 83.8-114.5-154.0 156.3 31.1 18.2 -4.1 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.918 115.3 62.0 -53.8 -44.8 32.4 21.0 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 105.5 44.0 -45.6 -52.9 33.9 18.2 0.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.899 114.8 48.5 -64.2 -41.8 36.0 16.9 -2.6 140 140 A N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 115.5 44.5 -69.9 -31.7 37.2 20.4 -3.7 141 141 A Q H < S+ 0 0 104 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 131.0 18.2 -79.2 -41.1 38.1 21.5 -0.1 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.7 -5,-0.3 3,-0.3 -0.547 73.8 163.3-131.5 70.0 39.9 18.3 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.818 69.1 51.4 -60.4 -40.4 40.8 16.5 -2.1 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.902 116.1 41.2 -70.1 -37.6 43.5 14.1 -0.9 145 145 A R H > S+ 0 0 20 -3,-0.3 4,-2.2 2,-0.2 5,-0.3 0.908 114.6 52.6 -72.0 -44.2 41.4 12.8 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 5,-0.3 0.943 109.2 50.4 -56.8 -45.1 38.3 12.8 -0.3 147 147 A K H X S+ 0 0 88 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.3 0.843 106.3 54.4 -60.8 -38.2 40.2 10.8 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.920 113.4 41.8 -64.0 -39.4 41.3 8.3 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.904 113.6 52.1 -72.0 -43.8 37.7 7.6 0.9 150 150 A I H X S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.912 108.8 51.2 -62.7 -39.4 36.3 7.5 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.3 6,-0.3 0.859 107.3 52.6 -65.5 -34.3 38.9 5.0 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.891 111.9 46.5 -65.4 -41.9 38.1 2.8 -0.7 153 153 A F H < S+ 0 0 2 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.902 112.4 52.0 -66.0 -41.5 34.5 2.9 -1.8 154 154 A R H < S+ 0 0 101 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.952 125.4 20.4 -61.4 -48.7 35.5 2.3 -5.4 155 155 A T H < S- 0 0 48 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.600 86.5-132.6 -98.9 -20.4 37.5 -0.8 -4.7 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.2 1,-0.2 -62,-0.2 0.776 74.5 98.8 70.8 24.6 36.5 -2.2 -1.4 157 157 A T S S- 0 0 50 -6,-0.3 3,-0.3 -5,-0.3 -1,-0.2 -0.812 79.7-116.5-134.9 178.9 40.2 -2.5 -0.4 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.6 1,-0.2 4,-1.0 0.194 72.4 118.1-101.9 12.6 42.6 -0.5 1.7 159 159 A D T 34 + 0 0 103 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.802 68.0 61.9 -51.3 -32.3 45.1 0.3 -0.9 160 160 A A T 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.727 111.5 39.8 -70.5 -14.6 44.5 4.0 -0.6 161 161 A Y T <4 0 0 19 -3,-2.6 -1,-0.2 -13,-0.1 -2,-0.2 0.533 360.0 360.0-108.2 -7.5 45.8 3.8 2.9 162 162 A K < 0 0 169 -4,-1.0 -3,-0.0 -3,-0.4 0, 0.0 -0.415 360.0 360.0 -90.0 360.0 48.6 1.3 2.6