==== 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 2OEA . 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) . 8540.0 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 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 X M 0 0 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.8 43.1 -1.8 9.0 2 2 X N > - 0 0 68 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.900 360.0 -78.3-150.5-177.3 39.8 -0.8 10.6 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.852 126.7 51.8 -57.9 -38.5 37.7 2.4 11.1 4 4 X F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 112.3 42.8 -64.2 -50.2 39.9 3.6 14.0 5 5 X E H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.857 114.9 53.5 -63.6 -35.7 43.2 3.2 12.1 6 6 X M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.953 111.5 42.3 -64.6 -53.2 41.6 4.8 9.0 7 7 X L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.828 110.2 58.1 -66.0 -31.1 40.3 7.9 10.8 8 8 X R H X S+ 0 0 99 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.859 109.3 45.6 -64.1 -37.5 43.6 8.3 12.7 9 9 X I H < S+ 0 0 83 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.931 118.3 43.3 -66.2 -46.3 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 0.805 125.7 30.1 -72.5 -30.6 42.8 10.9 8.0 11 11 X E H < S- 0 0 45 -4,-2.6 19,-0.4 -5,-0.2 -3,-0.2 0.718 90.1-154.8-103.1 -24.4 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 -0.249 25.6 -88.5 72.7-172.9 46.0 12.9 12.6 13 13 X L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 42.0 171.3-139.1 121.9 46.5 13.6 16.4 14 14 X R E -A 28 0A 146 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.999 18.4-161.1-130.2 132.3 47.2 16.9 18.0 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.420 74.5 62.4 -94.0 -2.5 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,-0.2 -0.916 102.7 -84.2-120.7 150.5 46.7 21.1 21.8 17 17 X I E + 0 0 17 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.264 58.8 169.9 -53.6 132.1 43.7 23.1 20.4 18 18 X Y E -A 26 0A 24 8,-3.1 8,-3.1 -4,-0.1 2,-0.5 -0.869 36.8-103.4-138.9 167.6 44.1 23.6 16.6 19 19 X K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.860 35.3-138.8 -96.5 133.8 42.0 24.8 13.7 20 20 X D > - 0 0 45 4,-2.4 3,-2.2 -2,-0.5 -1,-0.1 -0.071 42.3 -77.7 -78.9-171.4 40.7 22.2 11.3 21 21 X T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 135.4 49.0 -67.0 -20.2 40.6 22.5 7.5 22 22 X E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.426 123.1-104.6 -94.7 -3.1 37.6 24.7 7.8 23 23 X G S < S+ 0 0 38 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.604 74.1 141.0 87.5 14.7 39.2 26.9 10.4 24 24 X Y - 0 0 77 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.755 61.1-101.3 -95.7 138.5 37.2 25.5 13.4 25 25 X Y E +AB 19 34A 36 9,-0.5 8,-2.7 11,-0.4 9,-1.2 -0.313 55.2 163.9 -56.6 129.7 38.7 24.9 16.8 26 26 X T E -AB 18 32A 2 -8,-3.1 -8,-3.1 6,-0.3 2,-0.3 -0.898 19.1-164.5-146.0 157.7 39.4 21.2 17.1 27 27 X I E > - B 0 31A 0 4,-2.0 4,-2.5 -2,-0.3 -12,-0.2 -0.982 51.1 -2.3-143.6 159.8 41.4 18.9 19.3 28 28 X G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-1.0 -0.391 123.7 -3.9 74.6-130.3 42.7 15.3 19.5 29 29 X I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.677 129.6 -53.4-101.8 73.9 41.8 13.1 16.5 30 30 X G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.801 83.5 162.3 62.6 30.2 39.5 15.5 14.7 31 31 X H E < -B 27 0A 30 -4,-2.5 -4,-2.0 -20,-0.1 -1,-0.2 -0.716 32.4-142.5 -82.6 105.1 37.3 16.2 17.7 32 32 X L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.432 20.1-177.2 -68.6 129.9 35.5 19.5 16.7 33 33 X L E - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.904 58.7 -28.1 -92.3 -51.8 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 -0.971 36.6-136.0-163.1 152.0 33.1 24.7 18.4 35 35 X K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.421 74.6 113.1 -91.5 -1.0 32.5 26.6 15.2 36 36 X S S S- 0 0 46 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.455 73.3-131.1 -72.9 141.2 32.8 29.9 17.1 37 37 X P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.414 77.8 104.4 -70.8 1.0 35.8 32.1 16.4 38 38 X S > - 0 0 44 1,-0.2 4,-2.0 -13,-0.0 -2,-0.1 -0.762 56.1-162.6 -94.0 119.3 36.5 32.4 20.1 39 39 X L H > S+ 0 0 68 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.842 96.3 58.2 -61.5 -31.2 39.4 30.4 21.5 40 40 X N H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 104.0 48.9 -67.1 -40.6 37.8 31.0 24.9 41 41 X A H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 112.3 50.3 -60.1 -41.6 34.6 29.3 23.8 42 42 X A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.927 109.0 50.2 -62.5 -46.5 36.8 26.4 22.5 43 43 X K H X S+ 0 0 51 -4,-2.8 4,-2.3 1,-0.2 11,-0.3 0.872 111.1 50.5 -60.2 -37.4 38.7 26.1 25.8 44 44 X S H X S+ 0 0 69 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.910 110.5 47.1 -70.4 -43.6 35.4 26.0 27.6 45 45 X E H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.888 112.6 53.2 -60.6 -40.4 33.9 23.2 25.3 46 46 X L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.917 107.7 47.6 -60.5 -46.8 37.2 21.3 25.8 47 47 X D H X>S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 5,-1.2 0.896 114.6 47.8 -62.2 -38.8 37.0 21.5 29.6 48 48 X K H <5S+ 0 0 145 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.862 111.7 50.4 -67.6 -39.6 33.4 20.3 29.5 49 49 X A H <5S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 121.3 33.4 -66.5 -37.6 34.3 17.5 27.0 50 50 X I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.699 102.8-126.5 -93.2 -25.5 37.1 16.3 29.2 51 51 X G T <5S+ 0 0 68 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.722 77.6 71.4 81.0 24.2 35.7 17.0 32.7 52 52 X R S - 0 0 11 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.727 32.8-145.6 -94.8 -25.2 42.6 21.7 30.6 55 55 X N T 3 S- 0 0 111 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.857 75.3 -55.9 46.4 40.9 43.9 25.1 29.4 56 56 X G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.441 117.8 99.6 85.3 1.6 43.8 23.8 25.8 57 57 X V B < +C 16 0B 72 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.972 44.1 177.6-123.2 137.2 46.0 20.8 26.2 58 58 X I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.841 27.7-109.7-127.9 167.2 44.9 17.1 26.7 59 59 X T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.506 32.3-106.7 -91.3 168.8 46.8 13.8 27.0 60 60 X K H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 121.0 53.2 -58.4 -45.0 46.9 11.1 24.5 61 61 X D H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 109.6 49.3 -56.1 -45.5 44.5 8.9 26.6 62 62 X E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 109.8 51.0 -62.9 -39.9 42.0 11.8 26.6 63 63 X A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -34,-0.4 0.893 111.5 47.8 -64.4 -41.2 42.3 12.2 22.9 64 64 X E H X S+ 0 0 76 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.813 108.4 55.3 -72.2 -29.5 41.7 8.5 22.3 65 65 X K H X S+ 0 0 138 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.934 109.7 45.0 -67.7 -46.3 38.7 8.6 24.7 66 66 X L H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.895 112.5 54.1 -60.6 -39.1 37.1 11.4 22.7 67 67 X F H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.942 106.6 50.0 -60.8 -49.9 37.9 9.5 19.5 68 68 X N H X S+ 0 0 86 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.922 112.7 47.8 -52.7 -45.4 36.2 6.4 20.8 69 69 X Q H X S+ 0 0 89 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.880 111.9 49.4 -64.1 -40.6 33.1 8.4 21.6 70 70 X D H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.863 111.1 47.8 -72.0 -37.9 33.1 10.2 18.3 71 71 X V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.951 113.3 49.5 -63.5 -48.3 33.4 6.9 16.3 72 72 X D H X S+ 0 0 94 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.926 112.3 48.2 -50.6 -52.2 30.6 5.4 18.4 73 73 X A H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.874 108.2 53.6 -60.7 -40.4 28.5 8.6 17.8 74 74 X A H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.943 111.4 46.1 -60.7 -46.7 29.1 8.4 14.0 75 75 X V H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.945 112.4 51.0 -58.1 -49.3 27.9 4.8 13.9 76 76 X R H X S+ 0 0 121 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.871 108.1 52.5 -57.9 -39.6 24.9 5.7 16.1 77 77 X G H X S+ 0 0 3 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.861 109.4 49.1 -66.0 -39.6 24.0 8.6 13.7 78 78 X I H >< S+ 0 0 0 -4,-1.9 3,-1.1 2,-0.2 7,-0.5 0.955 112.3 47.2 -58.8 -51.5 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 0.816 113.8 48.4 -68.8 -26.9 21.8 3.6 12.4 80 80 X R H 3< S+ 0 0 168 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.597 95.0 89.7 -81.4 -16.1 19.4 6.3 13.5 81 81 X N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.2 0.870 102.9 64.6 -89.7 -40.1 22.0 6.2 6.0 85 85 X K H X S+ 0 0 85 -4,-2.8 4,-2.8 -7,-0.5 5,-0.3 0.933 101.5 47.2 -53.5 -54.9 20.9 3.0 7.7 86 86 X P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.866 113.6 50.1 -61.3 -29.8 19.7 1.1 4.7 87 87 X V H > S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.2 3,-0.3 0.955 111.9 46.3 -67.6 -50.0 22.9 2.0 2.8 88 88 X Y H >< S+ 0 0 33 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.919 111.1 52.6 -57.3 -47.1 25.2 0.9 5.7 89 89 X D H 3< S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 108.1 52.6 -59.0 -31.6 23.2 -2.4 6.1 90 90 X S H 3< S+ 0 0 37 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.699 97.5 87.9 -76.1 -21.5 23.7 -3.1 2.4 91 91 X L S << S- 0 0 5 -3,-1.0 2,-0.1 -4,-0.9 31,-0.0 -0.450 76.5-118.0 -87.3 151.6 27.5 -2.6 2.5 92 92 X D > - 0 0 57 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.234 45.0 -91.2 -72.5 174.1 30.4 -5.0 3.2 93 93 X A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.817 122.5 48.4 -67.4 -34.8 32.6 -4.3 6.2 94 94 X V H > S+ 0 0 26 2,-0.2 4,-1.4 62,-0.2 3,-0.3 0.944 113.2 46.1 -71.0 -48.5 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 61.6 -64.7 -32.0 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 0.913 101.5 53.4 -55.6 -42.1 30.9 0.5 5.9 97 97 X A H X S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.888 104.8 54.5 -62.3 -39.2 34.1 2.0 7.3 98 98 X A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.882 108.3 48.8 -59.3 -41.9 34.1 4.5 4.4 99 99 X L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.892 110.6 49.9 -65.9 -40.8 30.6 5.6 5.3 100 100 X I H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.931 107.7 55.7 -60.4 -42.1 31.5 6.1 9.0 101 101 X N H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.927 108.0 47.7 -57.9 -47.9 34.5 8.1 7.9 102 102 X M H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.899 113.3 47.4 -58.3 -45.3 32.3 10.5 5.9 103 103 X V H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 110.2 52.8 -65.6 -41.3 29.8 10.9 8.8 104 104 X F H < S+ 0 0 29 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.1 41.2 -57.3 -43.2 32.6 11.5 11.3 105 105 X Q H < S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.915 134.5 12.8 -73.4 -46.6 34.0 14.3 9.0 106 106 X M H X S- 0 0 53 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.415 104.0-111.8-121.9 3.7 30.8 16.0 7.9 107 107 X G H X - 0 0 33 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.168 36.0 -76.7 80.2 159.2 28.0 14.8 10.2 108 108 X E H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 128.7 50.8 -61.7 -40.7 24.9 12.6 9.6 109 109 X T H > S+ 0 0 118 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.909 109.0 50.9 -64.8 -42.5 23.0 15.5 7.9 110 110 X G H >< S+ 0 0 32 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.950 114.5 42.8 -61.7 -49.0 25.8 16.3 5.5 111 111 X V H >< S+ 0 0 0 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.913 105.9 61.4 -65.0 -43.2 26.2 12.7 4.4 112 112 X A H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.738 94.9 67.8 -54.4 -24.0 22.4 12.2 4.1 113 113 X G T << S+ 0 0 57 -4,-1.0 2,-1.1 -3,-0.7 3,-0.3 0.598 75.4 83.8 -68.6 -14.1 22.6 15.0 1.5 114 114 X F <> + 0 0 37 -3,-2.7 4,-2.8 1,-0.2 5,-0.3 -0.237 56.6 155.0 -85.3 49.5 24.5 12.7 -0.9 115 115 X T H > + 0 0 86 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.833 68.3 43.2 -46.0 -53.4 21.2 11.2 -2.1 116 116 X N H > S+ 0 0 77 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 115.1 48.6 -64.8 -43.8 22.4 10.1 -5.5 117 117 X S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.916 111.0 51.4 -59.3 -45.2 25.7 8.7 -4.3 118 118 X L H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.887 109.0 50.6 -62.3 -42.8 23.9 6.8 -1.5 119 119 X R H X S+ 0 0 124 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.937 111.9 47.1 -59.7 -47.5 21.5 5.3 -4.0 120 120 X M H <>S+ 0 0 27 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.887 111.3 51.9 -62.0 -39.0 24.4 4.2 -6.2 121 121 X L H ><5S+ 0 0 1 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.935 108.9 49.7 -62.3 -46.5 26.2 2.7 -3.2 122 122 X Q H 3<5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 112.0 48.7 -58.1 -37.2 23.1 0.7 -2.2 123 123 X Q T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.503 112.2-123.6 -79.8 -6.0 22.8 -0.6 -5.8 124 124 X K T < 5 + 0 0 99 -3,-1.2 2,-1.3 -4,-0.5 -3,-0.2 0.781 61.5 146.9 61.2 34.5 26.6 -1.5 -5.8 125 125 X R >< + 0 0 113 -5,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.660 21.2 172.2 -92.7 76.4 27.3 0.7 -8.8 126 126 X W H > + 0 0 51 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.848 67.3 47.6 -64.0 -44.0 30.8 1.4 -7.4 127 127 X D H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 115.6 47.2 -66.8 -41.4 32.4 3.3 -10.3 128 128 X E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.890 110.9 50.0 -65.7 -44.1 29.3 5.5 -10.7 129 129 X A H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.902 109.2 53.8 -56.5 -45.7 29.1 6.3 -7.0 130 130 X A H X S+ 0 0 11 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.906 109.1 47.4 -58.4 -47.2 32.7 7.2 -7.0 131 131 X V H X S+ 0 0 87 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.939 116.1 44.7 -57.4 -47.5 32.2 9.7 -9.9 132 132 X N H >< S+ 0 0 38 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.896 108.0 56.9 -67.9 -38.6 29.1 11.2 -8.1 133 133 X L H 3< S+ 0 0 1 -4,-3.4 6,-0.4 1,-0.2 -1,-0.2 0.861 103.3 56.9 -57.5 -36.3 30.9 11.3 -4.7 134 134 X A H 3< S+ 0 0 26 -4,-1.4 2,-1.6 -5,-0.2 -1,-0.2 0.626 85.9 79.4 -72.5 -19.7 33.6 13.5 -6.3 135 135 X K S << S+ 0 0 156 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.595 81.4 99.2 -87.2 73.5 31.2 16.1 -7.6 136 136 X S S > S- 0 0 17 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.992 85.3-117.0-156.3 151.0 31.0 17.8 -4.2 137 137 X R H > S+ 0 0 145 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.915 116.2 62.9 -55.3 -40.4 32.3 20.6 -2.0 138 138 X W H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.912 105.8 42.2 -49.5 -51.5 33.7 17.8 0.1 139 139 X Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.8 49.8 -67.8 -41.7 36.0 16.5 -2.7 140 140 X N H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 115.8 42.3 -70.9 -28.2 37.1 20.0 -3.8 141 141 X Q H < S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.831 132.4 19.7 -85.7 -36.5 38.0 21.2 -0.3 142 142 X T S X S+ 0 0 19 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 -0.578 73.6 160.8-131.0 68.4 39.8 18.0 0.9 143 143 X P H > S+ 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.866 71.1 51.5 -61.5 -40.0 40.7 16.1 -2.3 144 144 X N H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.938 116.4 39.7 -67.2 -45.6 43.4 13.8 -0.8 145 145 X R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.934 116.7 50.2 -63.9 -47.7 41.2 12.5 2.0 146 146 X A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.923 108.0 53.6 -59.5 -44.6 38.1 12.4 -0.2 147 147 X K H X S+ 0 0 98 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.847 108.3 50.5 -56.1 -39.5 40.0 10.4 -2.8 148 148 X R H X S+ 0 0 67 -4,-1.4 4,-1.4 -3,-0.2 12,-0.2 0.913 114.4 43.6 -66.3 -43.1 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 0.925 114.5 49.4 -67.1 -46.9 37.5 7.4 1.0 150 150 X I H X S+ 0 0 13 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.915 109.1 52.5 -57.8 -44.8 36.1 7.3 -2.5 151 151 X T H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.834 106.8 53.5 -59.1 -35.4 38.7 4.6 -3.5 152 152 X T H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.910 111.1 45.5 -67.8 -42.5 37.6 2.6 -0.5 153 153 X F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.850 115.1 48.8 -64.3 -38.5 33.9 2.8 -1.7 154 154 X R H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.897 126.5 21.7 -70.4 -41.1 35.0 1.9 -5.3 155 155 X T H < S- 0 0 43 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.656 85.5-135.9-103.9 -23.6 37.2 -1.1 -4.5 156 156 X G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.753 72.9 102.7 64.6 23.6 36.1 -2.4 -1.1 157 157 X T S S- 0 0 50 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.821 80.6-119.5-126.6 172.9 39.7 -2.8 -0.1 158 158 X W S >> S+ 0 0 40 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 0.139 71.5 121.9 -95.5 16.1 42.1 -0.7 2.1 159 159 X D G >4 + 0 0 94 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.818 67.6 57.7 -54.0 -38.1 44.5 -0.1 -0.7 160 160 X A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.673 111.2 45.1 -65.4 -15.1 44.3 3.7 -0.4 161 161 X Y G <4 0 0 17 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.484 360.0 360.0-108.2 -6.9 45.4 3.4 3.2 162 162 X K << 0 0 180 -3,-0.8 -2,-0.1 -4,-0.7 -3,-0.1 0.835 360.0 360.0 -98.1 360.0 48.3 1.0 2.8