==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-06 2OE9 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 2 0 1 1 2 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 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 X M 0 0 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.1 43.1 -1.8 9.0 2 2 X N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.901 360.0 -80.4-151.2 178.1 39.8 -0.8 10.6 3 3 X I H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 126.7 52.2 -55.7 -37.1 37.7 2.4 11.1 4 4 X F H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.959 112.3 42.5 -65.8 -51.3 39.9 3.6 14.0 5 5 X E H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.895 114.8 53.7 -61.1 -40.6 43.2 3.2 12.1 6 6 X M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.944 111.5 42.2 -59.0 -54.0 41.6 4.8 9.0 7 7 X L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.802 109.5 58.9 -66.3 -29.1 40.3 7.9 10.8 8 8 X R H X S+ 0 0 100 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.859 109.1 45.4 -65.7 -36.5 43.6 8.3 12.7 9 9 X I H < S+ 0 0 83 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.939 118.2 42.7 -67.8 -48.2 45.4 8.5 9.3 10 10 X D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.806 125.7 31.4 -69.3 -31.6 42.8 11.0 8.0 11 11 X E H < S- 0 0 46 -4,-2.7 19,-0.4 -5,-0.2 -3,-0.2 0.741 89.8-154.2-101.3 -25.7 42.5 13.1 11.1 12 12 X G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 -0.261 25.3 -89.9 75.6-174.4 46.0 13.0 12.6 13 13 X L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.949 42.2 170.9-137.5 122.3 46.5 13.5 16.4 14 14 X R E -A 28 0A 149 14,-2.0 14,-2.2 -2,-0.4 4,-0.1 -1.000 18.8-161.3-130.7 134.7 47.2 16.9 18.0 15 15 X L E S+ 0 0 67 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.426 74.5 63.0 -95.1 -3.2 47.1 17.4 21.8 16 16 X K E S-C 57 0B 91 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.922 102.5 -85.1-119.1 149.8 46.7 21.1 21.8 17 17 X I E + 0 0 17 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.265 58.6 168.6 -51.3 130.8 43.7 23.1 20.4 18 18 X Y E -A 26 0A 26 8,-2.9 8,-3.0 -4,-0.1 2,-0.4 -0.853 37.2-103.0-139.6 169.0 44.1 23.6 16.6 19 19 X K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.868 34.5-138.4-100.1 135.2 42.0 24.8 13.7 20 20 X D > - 0 0 48 4,-2.4 3,-2.1 -2,-0.4 -1,-0.1 -0.011 43.0 -76.6 -78.3-170.4 40.7 22.1 11.3 21 21 X T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 135.6 48.9 -67.5 -19.8 40.6 22.5 7.5 22 22 X E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.412 122.8-104.7 -95.6 -1.3 37.6 24.8 7.8 23 23 X G S < S+ 0 0 39 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.605 74.0 141.4 86.1 14.6 39.2 27.0 10.4 24 24 X Y - 0 0 75 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.761 60.7-102.4 -95.7 138.2 37.2 25.5 13.4 25 25 X Y E +AB 19 34A 32 9,-0.5 8,-2.6 11,-0.4 9,-1.2 -0.318 55.0 162.9 -58.4 130.7 38.7 24.9 16.8 26 26 X T E -AB 18 32A 2 -8,-3.0 -8,-2.9 6,-0.3 2,-0.3 -0.906 19.8-162.2-146.2 159.7 39.4 21.2 17.2 27 27 X I E > - B 0 31A 0 4,-2.0 4,-2.3 -2,-0.3 2,-0.2 -0.979 51.4 -4.0-144.4 160.3 41.4 18.9 19.4 28 28 X G E 4 S-A 14 0A 0 -14,-2.2 -14,-2.0 -2,-0.3 2,-0.9 -0.397 124.0 -2.5 71.9-125.7 42.8 15.3 19.4 29 29 X I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.702 129.1 -54.5-106.8 73.1 41.8 13.1 16.5 30 30 X G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.788 83.1 161.7 61.6 30.5 39.5 15.5 14.6 31 31 X H E < -B 27 0A 31 -4,-2.3 -4,-2.0 -20,-0.1 -1,-0.2 -0.730 33.2-141.7 -84.1 105.0 37.3 16.2 17.6 32 32 X L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.422 20.7-177.3 -66.9 129.8 35.4 19.5 16.7 33 33 X L E - 0 0 15 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.904 58.9 -27.4 -91.3 -54.5 35.0 21.8 19.7 34 34 X T E -B 25 0A 29 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.975 36.8-136.7-159.9 153.6 33.1 24.8 18.4 35 35 X K S S+ 0 0 134 -2,-0.3 -9,-0.0 -11,-0.2 -1,-0.0 0.391 74.2 113.1 -92.7 -0.3 32.5 26.6 15.2 36 36 X S S S- 0 0 46 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.470 73.4-131.1 -74.6 140.8 32.8 29.9 17.1 37 37 X P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.431 78.0 104.6 -69.3 -0.3 35.8 32.2 16.4 38 38 X S > - 0 0 48 1,-0.2 4,-1.8 -13,-0.0 -2,-0.1 -0.758 56.5-162.1 -94.4 118.0 36.5 32.4 20.1 39 39 X L H > S+ 0 0 68 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.822 96.7 56.1 -61.7 -31.3 39.4 30.4 21.5 40 40 X N H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 104.0 51.5 -71.4 -34.5 37.8 30.9 25.0 41 41 X A H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 112.5 48.2 -62.0 -37.9 34.6 29.4 23.7 42 42 X A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.915 109.8 50.3 -67.5 -45.9 36.8 26.4 22.5 43 43 X K H X S+ 0 0 51 -4,-2.7 4,-2.4 1,-0.2 11,-0.3 0.903 111.3 49.9 -60.4 -40.9 38.7 26.1 25.8 44 44 X S H X S+ 0 0 71 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.913 110.6 48.1 -65.7 -44.6 35.4 26.0 27.6 45 45 X E H X S+ 0 0 67 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.892 112.0 52.3 -59.6 -41.5 33.9 23.3 25.3 46 46 X L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.917 107.5 48.7 -61.2 -46.3 37.1 21.3 25.8 47 47 X D H X>S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 5,-1.3 0.902 114.0 48.5 -60.3 -40.0 37.0 21.5 29.6 48 48 X K H <5S+ 0 0 144 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.854 111.2 50.0 -63.7 -42.0 33.4 20.3 29.5 49 49 X A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 121.1 33.8 -66.5 -37.8 34.3 17.5 27.0 50 50 X I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.678 103.4-125.9 -93.7 -22.7 37.2 16.2 29.2 51 51 X G T <5S+ 0 0 68 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.759 77.5 72.2 77.6 27.6 35.7 17.0 32.7 52 52 X R S - 0 0 11 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.733 32.8-145.8 -94.7 -27.3 42.6 21.7 30.6 55 55 X N T 3 S- 0 0 110 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.895 75.3 -54.8 46.9 45.0 43.8 25.1 29.4 56 56 X G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.435 117.6 100.1 84.0 1.0 43.8 23.8 25.8 57 57 X V B < +C 16 0B 71 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.973 43.7 177.4-125.0 135.6 46.0 20.8 26.3 58 58 X I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.827 27.7-110.8-127.8 168.0 45.0 17.1 26.7 59 59 X T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.496 32.8-107.4 -92.9 168.5 46.8 13.8 27.0 60 60 X K H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 121.0 53.3 -61.9 -42.8 46.9 11.1 24.4 61 61 X D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 109.5 49.5 -57.6 -41.8 44.6 8.9 26.5 62 62 X E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 109.8 50.7 -66.2 -38.5 42.1 11.8 26.7 63 63 X A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -34,-0.4 0.890 111.1 48.5 -66.1 -40.5 42.3 12.3 22.9 64 64 X E H X S+ 0 0 74 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.818 107.5 56.1 -69.9 -30.1 41.7 8.5 22.3 65 65 X K H X S+ 0 0 140 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.950 109.4 44.5 -66.0 -48.5 38.7 8.6 24.7 66 66 X L H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.873 112.6 54.5 -59.6 -38.0 37.0 11.4 22.7 67 67 X F H X S+ 0 0 13 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.938 106.7 49.3 -62.7 -49.5 37.9 9.5 19.5 68 68 X N H X S+ 0 0 86 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.910 113.1 48.0 -54.5 -43.6 36.2 6.4 20.7 69 69 X Q H X S+ 0 0 90 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.862 112.2 49.4 -65.5 -39.0 33.1 8.4 21.6 70 70 X D H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.876 110.7 47.9 -73.0 -38.9 33.1 10.1 18.3 71 71 X V H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.949 113.3 49.4 -62.1 -46.0 33.4 6.9 16.2 72 72 X D H X S+ 0 0 91 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.930 111.8 49.0 -57.1 -48.7 30.6 5.4 18.4 73 73 X A H X S+ 0 0 39 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.873 108.4 52.9 -60.4 -39.7 28.5 8.6 17.8 74 74 X A H X S+ 0 0 7 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.958 111.2 46.6 -60.9 -50.5 29.1 8.4 14.0 75 75 X V H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.946 113.3 49.6 -54.5 -50.0 27.9 4.7 13.9 76 76 X R H X S+ 0 0 121 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.881 108.2 53.5 -58.2 -40.1 24.9 5.7 16.0 77 77 X G H X S+ 0 0 3 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.890 109.6 48.2 -62.2 -43.2 24.0 8.6 13.7 78 78 X I H >< S+ 0 0 0 -4,-2.1 3,-1.1 2,-0.2 7,-0.6 0.958 112.3 47.8 -57.0 -52.2 24.1 6.3 10.7 79 79 X L H 3< S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.771 113.7 47.9 -69.2 -23.9 21.8 3.7 12.4 80 80 X R H 3< S+ 0 0 167 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.584 94.8 90.2 -86.1 -14.9 19.3 6.3 13.5 81 81 X N S+ 0 0 130 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.804 119.0 41.4 -91.7 -30.4 18.7 7.5 4.6 84 84 X L H > S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.874 102.1 64.8 -88.4 -41.0 22.0 6.2 6.0 85 85 X K H X S+ 0 0 83 -4,-2.7 4,-2.9 -7,-0.6 5,-0.3 0.918 101.0 48.6 -52.1 -53.2 20.9 3.0 7.7 86 86 X P H > S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.870 113.7 48.5 -59.5 -34.0 19.7 1.1 4.6 87 87 X V H X S+ 0 0 2 -4,-0.5 4,-1.0 -3,-0.3 -2,-0.2 0.950 112.5 46.7 -66.4 -52.1 22.9 2.0 2.8 88 88 X Y H >< S+ 0 0 33 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.934 111.5 52.0 -54.2 -49.0 25.2 0.9 5.7 89 89 X D H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.7 52.1 -59.3 -32.0 23.2 -2.4 6.1 90 90 X S H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.696 97.7 88.9 -76.0 -21.8 23.7 -3.1 2.4 91 91 X L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-1.0 31,-0.0 -0.433 76.2-118.3 -85.9 151.1 27.5 -2.6 2.5 92 92 X D > - 0 0 55 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.265 45.0 -92.4 -71.2 171.8 30.4 -5.0 3.2 93 93 X A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.820 122.3 49.0 -65.1 -35.0 32.6 -4.3 6.2 94 94 X V H > S+ 0 0 27 2,-0.2 4,-1.3 62,-0.2 3,-0.4 0.955 112.9 45.9 -71.9 -48.4 35.3 -2.2 4.4 95 95 X R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.834 105.8 61.5 -65.4 -31.0 32.8 0.1 2.6 96 96 X R H X S+ 0 0 81 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 101.0 54.3 -55.9 -41.3 30.9 0.5 5.9 97 97 X A H X S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.4 -2,-0.2 0.886 104.4 54.8 -61.4 -39.0 34.1 2.0 7.3 98 98 X A H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.886 108.0 48.2 -60.1 -42.4 34.1 4.5 4.4 99 99 X L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 110.5 50.8 -65.5 -41.0 30.6 5.6 5.3 100 100 X I H X S+ 0 0 8 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.950 107.4 55.2 -59.6 -44.6 31.5 6.0 9.0 101 101 X N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.919 108.2 47.9 -54.1 -49.9 34.5 8.1 7.9 102 102 X M H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.896 113.3 47.0 -57.3 -44.7 32.2 10.5 5.9 103 103 X V H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 110.2 53.1 -67.4 -42.4 29.8 10.9 8.8 104 104 X F H < S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 116.8 40.0 -55.3 -44.7 32.6 11.5 11.3 105 105 X Q H < S+ 0 0 55 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 134.5 13.9 -73.2 -47.8 33.9 14.3 9.0 106 106 X M H < S- 0 0 53 -4,-3.0 4,-0.5 -5,-0.2 -3,-0.2 0.509 103.9-113.8-118.2 -2.1 30.8 16.0 7.9 107 107 X G X - 0 0 31 -4,-2.6 4,-2.2 -5,-0.4 5,-0.2 0.042 34.5 -75.0 86.1 162.4 28.0 14.8 10.2 108 108 X E H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 128.9 48.4 -62.6 -45.6 24.9 12.7 9.6 109 109 X T H > S+ 0 0 118 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.890 110.2 52.1 -63.9 -41.1 22.9 15.5 7.9 110 110 X G H >4 S+ 0 0 31 -4,-0.5 3,-0.7 2,-0.2 -2,-0.2 0.951 113.9 42.3 -62.0 -47.9 25.8 16.3 5.5 111 111 X V H >< S+ 0 0 0 -4,-2.2 3,-2.8 1,-0.2 -2,-0.2 0.924 106.5 60.7 -67.5 -42.1 26.2 12.7 4.4 112 112 X A H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.716 94.8 68.3 -57.6 -21.2 22.4 12.1 4.1 113 113 X G T << S+ 0 0 56 -4,-0.9 2,-0.9 -3,-0.7 -1,-0.3 0.538 75.5 84.0 -70.2 -10.4 22.6 14.9 1.5 114 114 X F <> + 0 0 37 -3,-2.8 4,-2.7 1,-0.2 5,-0.3 -0.249 56.9 155.4 -88.7 51.2 24.5 12.7 -0.9 115 115 X T H > + 0 0 86 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.832 67.6 43.1 -46.0 -55.0 21.2 11.2 -2.1 116 116 X N H > S+ 0 0 76 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.902 115.0 49.0 -63.9 -44.4 22.4 10.1 -5.5 117 117 X S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.898 110.5 51.6 -59.2 -43.2 25.7 8.6 -4.3 118 118 X L H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.885 109.1 50.0 -64.5 -42.2 24.0 6.7 -1.5 119 119 X R H X S+ 0 0 124 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.927 111.8 48.0 -60.4 -45.4 21.5 5.2 -4.0 120 120 X M H <>S+ 0 0 34 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.891 111.4 51.0 -64.6 -36.8 24.4 4.2 -6.2 121 121 X L H ><5S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.926 108.7 50.5 -63.7 -43.9 26.2 2.7 -3.2 122 122 X Q H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.859 111.5 49.2 -61.5 -34.6 23.1 0.7 -2.2 123 123 X Q T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.490 112.2-122.9 -80.7 -6.2 22.9 -0.6 -5.8 124 124 X K T < 5 + 0 0 100 -3,-1.2 2,-1.3 -4,-0.5 -3,-0.2 0.785 62.0 147.0 61.8 33.7 26.6 -1.5 -5.8 125 125 X R >< + 0 0 115 -5,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.674 20.9 171.7 -91.5 77.2 27.3 0.6 -8.8 126 126 X W H > + 0 0 50 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.865 67.0 47.4 -66.3 -45.1 30.8 1.4 -7.4 127 127 X D H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 115.7 47.4 -64.2 -41.7 32.4 3.3 -10.3 128 128 X E H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.883 110.7 50.3 -65.6 -40.9 29.3 5.5 -10.7 129 129 X A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.896 109.1 53.5 -60.2 -42.3 29.1 6.2 -7.0 130 130 X A H X S+ 0 0 10 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.904 109.0 47.7 -62.4 -45.6 32.7 7.2 -7.0 131 131 X V H X S+ 0 0 87 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.931 115.7 44.9 -58.0 -48.1 32.2 9.7 -9.9 132 132 X N H >< S+ 0 0 37 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.908 108.4 56.7 -66.1 -40.8 29.1 11.2 -8.1 133 133 X L H 3< S+ 0 0 1 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.847 103.1 56.6 -56.8 -35.6 30.9 11.4 -4.7 134 134 X A H 3< S+ 0 0 27 -4,-1.4 2,-1.6 1,-0.2 -1,-0.3 0.617 86.5 79.6 -72.9 -19.8 33.6 13.5 -6.3 135 135 X K S << S+ 0 0 153 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.601 81.2 100.2 -87.3 70.8 31.2 16.1 -7.6 136 136 X S S > S- 0 0 16 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.993 85.2-118.4-154.8 149.4 31.0 17.7 -4.1 137 137 X R H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.920 116.1 63.1 -54.2 -41.5 32.3 20.6 -2.1 138 138 X W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.912 105.6 41.9 -47.1 -53.6 33.8 17.8 0.1 139 139 X Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.6 49.5 -65.6 -41.8 36.0 16.5 -2.7 140 140 X N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.0 41.7 -70.6 -30.8 37.1 20.0 -3.9 141 141 X Q H < S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 132.2 20.5 -84.4 -38.6 38.0 21.2 -0.3 142 142 X T S X S+ 0 0 20 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.584 73.8 161.3-127.5 68.6 39.8 18.0 0.9 143 143 X P H > S+ 0 0 49 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.872 70.2 51.4 -62.1 -40.7 40.7 16.1 -2.3 144 144 X N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.926 116.6 39.3 -65.1 -45.5 43.4 13.8 -0.8 145 145 X R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.934 116.5 51.1 -67.3 -47.4 41.2 12.5 2.0 146 146 X A H X S+ 0 0 0 -4,-2.4 4,-3.2 -8,-0.2 5,-0.2 0.924 108.2 53.0 -54.8 -46.1 38.1 12.4 -0.2 147 147 X K H X S+ 0 0 98 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.859 108.3 50.4 -56.1 -41.6 40.0 10.4 -2.8 148 148 X R H X S+ 0 0 66 -4,-1.5 4,-1.5 2,-0.2 12,-0.2 0.924 114.6 43.4 -64.1 -43.8 41.1 7.8 -0.2 149 149 X V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.907 114.4 49.8 -66.7 -43.9 37.5 7.4 1.0 150 150 X I H X S+ 0 0 14 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.923 108.9 52.6 -63.3 -42.8 36.1 7.3 -2.5 151 151 X T H X S+ 0 0 36 -4,-2.6 4,-2.4 -5,-0.2 6,-0.4 0.852 106.5 53.8 -57.8 -37.3 38.7 4.6 -3.5 152 152 X T H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.910 111.0 45.6 -66.0 -42.7 37.6 2.6 -0.5 153 153 X F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 115.3 48.2 -64.6 -40.4 33.9 2.8 -1.7 154 154 X R H < S+ 0 0 108 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 126.2 23.1 -69.7 -39.9 35.0 1.9 -5.3 155 155 X T H < S- 0 0 42 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.680 85.5-136.3-102.9 -24.0 37.2 -1.1 -4.5 156 156 X G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.734 72.9 102.7 65.2 22.9 36.0 -2.4 -1.2 157 157 X T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.802 80.5-120.2-126.7 173.6 39.7 -2.7 -0.1 158 158 X W S >> S+ 0 0 37 -2,-0.3 3,-2.7 1,-0.2 4,-0.8 0.194 71.3 121.5 -95.5 14.9 42.1 -0.8 2.1 159 159 X D G >4 + 0 0 100 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.789 68.0 57.9 -53.8 -35.9 44.6 -0.1 -0.7 160 160 X A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.670 111.6 43.9 -67.9 -15.4 44.3 3.7 -0.4 161 161 X Y G <4 0 0 17 -3,-2.7 -1,-0.2 -13,-0.1 -2,-0.2 0.503 360.0 360.0-107.5 -7.7 45.4 3.4 3.3 162 162 X K << 0 0 181 -4,-0.8 -3,-0.1 -3,-0.7 -2,-0.1 0.696 360.0 360.0-103.0 360.0 48.3 0.9 2.9