==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAY-05 1ZUR . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,M.R.SAWAYA,K.HIDEG,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 1 2 1 0 0 1 1 1 0 0 0 0 0 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.1 42.9 -1.7 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.920 360.0 -78.9-160.6 176.2 39.5 -0.7 10.5 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.832 127.4 50.8 -56.9 -38.3 37.4 2.5 11.1 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 114.1 42.5 -64.9 -48.6 39.6 3.6 14.0 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.883 115.1 52.4 -66.4 -35.9 42.9 3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.942 113.3 41.1 -64.2 -52.2 41.3 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.835 109.8 59.6 -68.4 -32.5 40.0 7.9 10.9 8 8 A R H X S+ 0 0 106 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.903 109.4 44.8 -59.5 -41.9 43.3 8.1 12.8 9 9 A I H < S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.9 43.1 -63.7 -49.3 45.1 8.5 9.5 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.771 124.5 32.9 -71.0 -29.0 42.6 11.0 8.1 11 11 A E H < S- 0 0 35 -4,-2.7 19,-0.5 1,-0.1 -1,-0.2 0.660 93.2-152.1-103.2 -21.1 42.2 13.1 11.2 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.165 22.6 -87.3 74.0-173.3 45.7 12.9 12.8 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 46.4 163.5-141.3 118.4 46.5 13.3 16.5 14 14 A R E -A 28 0A 143 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.998 23.8-160.2-136.4 135.0 47.1 16.6 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.463 74.4 63.4 -97.6 -3.4 47.0 17.3 21.9 16 16 A K E S-C 57 0B 147 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.912 99.7 -88.7-118.7 147.2 46.6 21.0 21.9 17 17 A I E + 0 0 29 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.305 58.6 165.7 -53.8 130.9 43.5 22.9 20.5 18 18 A Y E -A 26 0A 26 8,-2.7 8,-3.0 6,-0.1 2,-0.5 -0.897 39.5 -96.7-141.3 168.8 44.1 23.6 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.826 36.4-142.0 -95.0 131.0 42.1 24.7 13.7 20 20 A D > - 0 0 41 4,-2.6 3,-1.9 -2,-0.5 -1,-0.1 0.023 42.4 -77.1 -76.7-171.9 40.8 22.0 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.713 135.3 49.5 -63.4 -21.6 40.6 22.2 7.6 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.383 122.6-105.4 -95.7 0.2 37.5 24.4 7.9 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.576 75.4 139.1 85.0 14.3 39.2 26.7 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.724 62.1 -99.8 -97.8 139.4 37.2 25.3 13.4 25 25 A Y E +A 19 0A 36 9,-0.5 8,-2.5 11,-0.4 9,-1.2 -0.356 54.8 162.1 -60.8 127.8 38.7 24.6 16.9 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.7 6,-0.2 2,-0.3 -0.898 17.9-171.5-142.8 159.0 39.5 20.9 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.4 -2,-0.3 -12,-0.2 -0.965 51.9 5.3-149.6 165.0 41.6 18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.9 -0.394 123.9 -8.1 70.6-129.2 42.7 15.0 19.6 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.2 -0.714 129.0 -51.0-106.4 76.0 41.7 12.8 16.7 30 30 A G T 4 S+ 0 0 10 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.826 82.0 164.7 63.0 32.7 39.4 15.2 14.8 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.8 -20,-0.1 2,-0.4 -0.727 29.9-145.4 -83.1 104.7 37.3 16.1 17.8 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.556 18.0-175.9 -70.1 123.2 35.4 19.2 16.7 33 33 A L - 0 0 13 -8,-2.5 2,-0.3 -2,-0.4 -7,-0.2 0.898 57.4 -34.9 -86.5 -47.3 35.0 21.5 19.7 34 34 A T - 0 0 34 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.966 35.0-129.3-170.1 158.0 32.9 24.3 18.2 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.476 75.9 114.8 -93.2 -5.5 32.3 26.3 15.1 36 36 A S - 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.359 69.8-136.7 -62.7 138.6 32.6 29.5 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.458 76.6 104.7 -77.2 2.8 35.6 31.8 16.5 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 2,-0.0 3,-0.1 -0.760 56.9-162.2 -88.7 116.6 36.1 32.2 20.2 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.851 95.5 56.3 -61.1 -36.1 39.0 30.2 21.6 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 105.0 51.2 -63.7 -37.7 37.5 30.6 25.1 41 41 A A H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.892 111.0 48.9 -63.6 -42.0 34.2 29.0 23.8 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.907 109.8 51.2 -62.9 -43.7 36.3 26.1 22.5 43 43 A K H X S+ 0 0 49 -4,-2.6 4,-2.6 2,-0.2 11,-0.2 0.878 108.4 52.5 -60.5 -40.6 38.2 25.7 25.8 44 44 A S H X S+ 0 0 73 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.901 110.0 48.0 -61.4 -43.8 34.8 25.6 27.6 45 45 A E H X S+ 0 0 66 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.906 111.7 50.7 -62.6 -43.5 33.6 22.8 25.3 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.935 109.6 48.7 -61.6 -48.6 36.9 20.9 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 5,-1.0 0.884 114.0 47.7 -58.2 -41.0 36.6 21.2 29.7 48 48 A K H <5S+ 0 0 144 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.892 112.6 48.9 -64.3 -44.9 33.0 20.0 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 121.0 34.5 -64.0 -39.1 34.0 17.1 27.1 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.722 102.4-126.4 -89.8 -29.2 36.9 15.9 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.736 77.3 72.7 85.4 25.5 35.4 16.7 32.8 52 52 A R S - 0 0 11 -2,-1.0 3,-1.3 -11,-0.2 -1,-0.2 0.690 33.1-146.7 -92.2 -24.3 42.3 21.5 30.7 55 55 A N T 3 S- 0 0 111 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.859 75.8 -53.3 45.7 45.8 43.4 25.0 29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.521 117.2 101.8 76.4 10.5 43.5 23.6 25.9 57 57 A V B < +C 16 0B 72 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.994 41.8 174.3-129.7 131.3 45.8 20.6 26.4 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.812 28.4-109.6-126.8 169.4 44.8 16.9 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.492 32.8-108.2 -92.7 167.7 46.6 13.6 27.1 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 121.6 53.6 -61.2 -41.6 46.8 10.9 24.4 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 109.6 47.8 -59.2 -43.2 44.4 8.7 26.6 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 110.3 52.0 -63.8 -42.5 41.9 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.5 0.910 111.0 47.7 -58.4 -44.6 42.2 12.1 22.9 64 64 A E H X S+ 0 0 89 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.849 107.8 55.6 -67.8 -33.8 41.5 8.4 22.4 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.942 110.8 43.8 -63.5 -47.7 38.5 8.5 24.8 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.896 112.2 55.1 -62.5 -39.3 36.8 11.3 22.8 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.937 106.6 49.0 -60.3 -48.2 37.7 9.5 19.6 68 68 A N H X S+ 0 0 92 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.898 112.9 48.7 -57.2 -42.1 36.0 6.3 20.7 69 69 A Q H X S+ 0 0 93 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.908 111.8 49.0 -63.6 -42.2 32.9 8.4 21.6 70 70 A D H X S+ 0 0 34 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.841 111.3 48.2 -67.7 -38.0 32.9 10.2 18.3 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.941 113.7 48.1 -65.8 -47.5 33.2 7.0 16.3 72 72 A D H X S+ 0 0 78 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.924 110.9 51.6 -56.2 -47.8 30.4 5.5 18.3 73 73 A A H X S+ 0 0 41 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.870 107.6 52.5 -58.6 -39.6 28.3 8.8 17.8 74 74 A A H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 111.2 46.0 -63.9 -44.9 28.9 8.5 14.0 75 75 A V H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 113.1 49.5 -62.9 -46.3 27.6 4.9 13.9 76 76 A R H X S+ 0 0 137 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.884 108.5 54.5 -60.2 -39.0 24.6 5.8 16.1 77 77 A G H X S+ 0 0 7 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.902 109.6 47.1 -58.4 -46.0 23.8 8.8 13.8 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 7,-0.5 0.933 111.4 50.2 -61.5 -49.2 23.8 6.5 10.8 79 79 A L H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 112.0 47.1 -65.8 -26.3 21.5 3.9 12.5 80 80 A R H 3< S+ 0 0 188 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.2 0.497 94.1 94.1 -91.7 -7.1 18.9 6.5 13.6 81 81 A N S+ 0 0 126 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.851 119.0 41.7 -89.7 -40.0 18.2 7.8 4.8 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.7 1,-0.2 3,-0.2 0.868 102.5 65.5 -79.1 -37.8 21.6 6.5 6.0 85 85 A K H X S+ 0 0 84 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.896 100.0 48.8 -56.9 -49.5 20.5 3.2 7.7 86 86 A P H > S+ 0 0 60 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.874 114.5 46.6 -60.8 -34.9 19.3 1.3 4.6 87 87 A V H X S+ 0 0 5 -4,-0.7 4,-0.7 -3,-0.2 3,-0.3 0.946 114.2 47.7 -67.7 -47.4 22.5 2.2 2.7 88 88 A Y H >< S+ 0 0 32 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.924 110.8 51.1 -57.0 -47.9 24.7 1.2 5.7 89 89 A D H 3< S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.4 55.1 -61.6 -29.9 22.8 -2.1 6.2 90 90 A S H 3< S+ 0 0 32 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.612 96.8 85.9 -78.7 -15.1 23.3 -2.9 2.5 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.522 77.0-115.9 -94.1 155.3 27.1 -2.5 2.6 92 92 A D > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.347 44.9 -96.5 -72.0 164.3 30.0 -4.8 3.5 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.778 122.4 53.2 -59.2 -32.0 32.1 -3.9 6.6 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.950 113.3 42.5 -70.6 -48.6 34.8 -2.1 4.6 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.832 108.3 60.5 -67.0 -31.4 32.3 0.1 2.8 96 96 A R H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.899 102.9 52.8 -57.8 -41.5 30.5 0.7 6.1 97 97 A A H X S+ 0 0 5 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.897 105.2 54.1 -62.1 -41.6 33.7 2.2 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.901 110.0 46.9 -59.0 -41.4 33.8 4.6 4.4 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.906 110.8 51.2 -67.2 -42.3 30.3 5.8 5.3 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.915 107.6 54.8 -58.5 -44.2 31.2 6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.925 108.5 47.6 -54.4 -51.5 34.3 8.2 7.9 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.903 112.8 48.5 -56.1 -46.6 32.0 10.6 5.9 103 103 A V H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 109.3 53.3 -63.0 -41.4 29.6 11.0 8.8 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.4 39.2 -58.4 -44.4 32.5 11.6 11.2 105 105 A Q H < S+ 0 0 50 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.895 134.2 17.0 -75.4 -42.6 33.8 14.4 9.0 106 106 A M H < S- 0 0 62 -4,-2.8 4,-0.3 -5,-0.2 -3,-0.2 0.563 105.3-114.7-110.1 -14.8 30.5 16.1 7.8 107 107 A G X - 0 0 30 -4,-2.4 4,-2.0 -5,-0.4 5,-0.2 0.030 32.8 -74.8 91.1 157.9 27.8 14.9 10.2 108 108 A E H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.914 129.0 42.9 -50.3 -59.6 24.7 12.8 9.9 109 109 A T H > S+ 0 0 116 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 110.8 58.9 -63.3 -35.0 22.4 15.3 8.2 110 110 A G H 4 S+ 0 0 31 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.942 113.7 34.5 -56.5 -53.9 25.3 16.4 5.9 111 111 A V H >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.852 109.5 66.4 -72.4 -35.4 25.8 12.9 4.4 112 112 A A H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.743 95.2 59.2 -59.6 -25.9 22.1 12.0 4.6 113 113 A G T 3< S+ 0 0 46 -4,-1.0 2,-2.4 -3,-0.5 -1,-0.3 0.536 73.6 96.7 -81.1 -8.5 21.4 14.7 1.9 114 114 A F <> + 0 0 53 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 -0.385 51.8 165.1 -78.2 59.8 23.7 13.1 -0.7 115 115 A T H > + 0 0 82 -2,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.841 67.0 43.7 -50.9 -48.4 20.5 11.5 -2.2 116 116 A N H > S+ 0 0 86 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 114.5 48.2 -68.6 -43.1 22.0 10.4 -5.6 117 117 A S H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 112.3 50.7 -62.7 -43.6 25.3 9.1 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.899 108.9 51.0 -61.6 -43.4 23.4 7.1 -1.6 119 119 A R H X S+ 0 0 109 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.925 110.2 49.3 -59.9 -46.1 21.1 5.6 -4.2 120 120 A M H <>S+ 0 0 12 -4,-2.2 5,-2.6 1,-0.2 4,-0.2 0.884 112.1 48.6 -62.5 -39.2 24.1 4.5 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.923 110.1 51.1 -63.8 -45.9 25.8 3.0 -3.3 122 122 A Q H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.864 111.5 48.6 -56.3 -39.7 22.5 1.1 -2.4 123 123 A Q T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.439 112.2-123.1 -79.9 -5.5 22.4 -0.2 -6.0 124 124 A K T < 5 + 0 0 97 -3,-1.4 2,-1.2 -4,-0.2 -3,-0.2 0.836 60.5 148.4 60.2 38.3 26.0 -1.3 -5.8 125 125 A R >< + 0 0 122 -5,-2.6 4,-3.1 1,-0.2 5,-0.2 -0.697 20.6 174.0 -96.1 75.3 27.0 0.8 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.850 69.6 43.7 -62.2 -44.6 30.5 1.4 -7.3 127 127 A D H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 117.2 47.1 -67.4 -43.0 32.2 3.2 -10.2 128 128 A E H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 112.3 49.7 -62.9 -45.6 29.1 5.5 -10.7 129 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.919 110.5 51.2 -57.7 -45.7 28.8 6.2 -7.0 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.893 111.0 47.1 -59.5 -43.9 32.5 7.0 -6.9 131 131 A C H < S+ 0 0 86 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.910 113.7 48.6 -65.1 -43.5 32.2 9.5 -9.8 132 132 A N H >< S+ 0 0 27 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.871 105.3 57.3 -65.9 -39.3 29.1 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.767 99.3 60.4 -62.5 -27.5 30.7 11.5 -4.8 134 134 A A T 3< S+ 0 0 28 -4,-1.0 2,-1.7 -3,-0.5 -1,-0.3 0.621 83.7 81.4 -77.1 -14.5 33.5 13.5 -6.3 135 135 A K S < S+ 0 0 161 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.492 82.0 99.1 -87.7 64.5 31.1 16.2 -7.6 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.0 1,-0.1 5,-0.1 -0.987 85.0-118.8-152.3 154.9 31.0 17.8 -4.2 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.915 116.1 61.2 -58.0 -43.9 32.3 20.6 -2.0 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.917 106.0 42.9 -46.7 -54.7 33.7 17.8 0.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.4 49.4 -62.5 -44.1 35.9 16.4 -2.6 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.2 40.6 -65.7 -38.4 37.0 19.9 -3.7 141 141 A Q H < S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.825 133.1 21.5 -81.1 -34.1 38.0 21.1 -0.2 142 142 A T S X S+ 0 0 18 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.562 74.6 159.1-128.8 68.1 39.6 17.8 1.0 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.854 71.1 50.1 -66.5 -36.7 40.5 16.0 -2.3 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.925 116.6 41.0 -67.5 -42.6 43.2 13.6 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 115.7 50.6 -68.6 -44.9 41.0 12.4 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 -8,-0.2 5,-0.2 0.908 107.6 54.6 -59.3 -42.6 37.9 12.3 -0.3 147 147 A K H X S+ 0 0 96 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.899 108.6 48.7 -58.2 -41.8 39.9 10.2 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.6 4,-1.8 2,-0.2 12,-0.2 0.928 114.1 44.8 -63.1 -45.8 40.8 7.7 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 114.2 49.4 -65.0 -45.0 37.2 7.4 1.1 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.892 107.9 53.8 -62.8 -41.6 35.9 7.2 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.889 106.9 53.1 -58.1 -40.3 38.5 4.4 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.917 112.3 43.8 -62.8 -45.2 37.2 2.5 -0.4 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.859 115.2 49.8 -66.0 -36.7 33.6 2.7 -1.7 154 154 A R H < S+ 0 0 107 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.919 126.6 21.3 -68.8 -42.4 34.7 1.9 -5.2 155 155 A T H < S- 0 0 40 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.701 85.5-134.1-102.4 -27.0 36.8 -1.2 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.753 74.6 107.3 71.1 22.2 35.6 -2.5 -1.0 157 157 A T S S- 0 0 47 -6,-0.4 -1,-0.3 -5,-0.2 3,-0.3 -0.807 80.2-122.8-124.0 167.7 39.3 -2.8 -0.1 158 158 A W >> + 0 0 53 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 0.122 69.4 124.4 -94.0 19.6 41.6 -0.9 2.1 159 159 A D G >4 + 0 0 85 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.810 67.6 57.4 -52.0 -36.4 44.1 -0.1 -0.8 160 160 A A G 34 S+ 0 0 21 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.597 112.5 41.0 -73.1 -11.1 43.9 3.7 -0.2 161 161 A Y G X4 S+ 0 0 0 -3,-2.3 3,-1.1 -13,-0.1 -1,-0.2 0.421 86.0 102.8-114.0 -1.7 45.1 3.3 3.4 162 162 A K T << S+ 0 0 151 -4,-0.7 2,-0.6 -3,-0.7 -2,-0.1 0.901 88.6 29.2 -48.8 -66.1 47.8 0.5 2.9 163 163 A N T 3 0 0 151 -4,-0.4 -1,-0.3 1,-0.2 -4,-0.0 -0.352 360.0 360.0 -97.4 52.4 51.1 2.5 3.0 164 164 A L < 0 0 118 -3,-1.1 -1,-0.2 -2,-0.6 -2,-0.2 0.507 360.0 360.0-129.6 360.0 49.8 5.2 5.4