==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-07 2OU0 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 6.2 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 0 1 2 1 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 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 X M 0 0 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.1 -7.1 15.7 -8.9 2 2 X N > - 0 0 66 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.937 360.0 -81.1-160.0 177.1 -9.6 18.1 -10.6 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.825 126.7 51.7 -57.0 -35.7 -13.4 18.4 -11.1 4 4 X F H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.950 114.5 41.8 -66.1 -46.5 -13.3 16.0 -14.1 5 5 X E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.850 114.3 53.3 -68.7 -35.3 -11.4 13.3 -12.1 6 6 X M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.937 112.1 42.5 -65.8 -50.9 -13.6 13.9 -9.0 7 7 X L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.819 109.3 59.1 -68.2 -30.9 -16.9 13.4 -10.9 8 8 X R H X S+ 0 0 107 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.903 109.2 45.1 -63.4 -40.5 -15.5 10.4 -12.8 9 9 X I H < S+ 0 0 80 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.955 118.4 42.7 -64.1 -49.4 -14.8 8.7 -9.4 10 10 X D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 125.6 31.6 -69.0 -31.4 -18.3 9.7 -8.0 11 11 X E H < S- 0 0 42 -4,-2.8 19,-0.4 -5,-0.1 -1,-0.2 0.692 92.3-153.2-101.7 -24.6 -20.3 8.9 -11.1 12 12 X G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.182 24.2 -87.6 75.6-175.6 -18.4 6.0 -12.7 13 13 X L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 45.2 167.6-134.9 119.3 -18.4 5.2 -16.5 14 14 X R E -A 28 0A 146 14,-1.9 14,-2.6 -2,-0.4 4,-0.1 -0.997 20.9-160.9-133.3 131.2 -21.1 3.0 -18.0 15 15 X L E S+ 0 0 64 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.449 73.1 61.5 -95.3 -1.9 -21.6 2.8 -21.8 16 16 X K E S-C 57 0B 66 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.895 101.6 -83.2-119.8 153.1 -25.1 1.3 -21.8 17 17 X I E + 0 0 31 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.321 59.1 166.6 -56.0 127.8 -28.3 2.9 -20.4 18 18 X Y E -A 26 0A 26 8,-3.0 8,-3.5 -4,-0.1 2,-0.4 -0.876 37.8-103.4-135.4 168.3 -28.5 2.2 -16.6 19 19 X K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.836 34.3-137.1 -97.0 136.2 -30.6 3.5 -13.7 20 20 X D > - 0 0 47 4,-2.7 3,-1.7 -2,-0.4 -1,-0.1 0.015 41.6 -77.8 -77.0-170.7 -28.9 6.0 -11.3 21 21 X T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.696 135.0 49.5 -67.2 -19.4 -29.2 6.0 -7.5 22 22 X E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.402 123.9-104.4 -95.9 -0.6 -32.7 7.5 -7.7 23 23 X G S < S+ 0 0 37 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.613 74.3 142.5 86.6 16.8 -33.8 4.9 -10.3 24 24 X Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.769 60.0-101.0 -98.8 136.2 -33.5 7.3 -13.3 25 25 X Y E +A 19 0A 37 9,-0.5 8,-2.7 11,-0.4 9,-1.3 -0.256 55.6 162.3 -56.0 126.8 -32.3 6.3 -16.8 26 26 X T E -AB 18 32A 2 -8,-3.5 -8,-3.0 6,-0.3 2,-0.3 -0.907 19.9-167.2-144.6 158.3 -28.7 7.5 -17.2 27 27 X I E > - B 0 31A 0 4,-1.8 4,-2.2 -2,-0.3 -12,-0.2 -0.977 52.0 -0.3-146.1 163.6 -25.6 6.8 -19.4 28 28 X G E 4 S-A 14 0A 1 -14,-2.6 -14,-1.9 -2,-0.3 2,-0.9 -0.387 123.9 -4.5 71.0-128.6 -21.9 7.5 -19.5 29 29 X I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.684 128.5 -53.9-102.6 74.3 -20.5 9.5 -16.6 30 30 X G T 4 S+ 0 0 13 -2,-0.9 2,-1.2 -19,-0.4 -2,-0.2 0.818 81.9 163.0 62.1 33.1 -23.7 10.3 -14.7 31 31 X H E < -B 27 0A 29 -4,-2.2 -4,-1.8 -20,-0.1 2,-0.2 -0.734 32.4-143.0 -83.9 99.6 -25.5 11.8 -17.7 32 32 X L E -B 26 0A 72 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.432 18.5-174.7 -62.0 123.8 -29.1 11.8 -16.6 33 33 X L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.905 58.5 -32.2 -88.4 -46.8 -31.3 11.0 -19.6 34 34 X T - 0 0 32 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.962 35.4-130.8-169.5 153.1 -34.8 11.5 -18.2 35 35 X K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.451 76.2 114.2 -88.9 -1.3 -36.8 11.1 -15.0 36 36 X S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.433 70.1-137.0 -68.8 138.8 -39.4 9.2 -17.1 37 37 X P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.445 77.2 103.8 -72.5 1.0 -40.0 5.5 -16.3 38 38 X S > - 0 0 50 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.770 56.2-163.7 -92.0 118.5 -40.1 4.9 -20.1 39 39 X L H > S+ 0 0 65 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.877 94.3 55.9 -64.2 -38.7 -36.9 3.3 -21.5 40 40 X N H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 105.9 51.0 -59.4 -39.3 -38.0 4.3 -25.0 41 41 X A H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 111.3 48.4 -63.1 -41.7 -38.2 7.9 -23.8 42 42 X A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.884 108.8 52.7 -63.5 -42.2 -34.7 7.6 -22.4 43 43 X K H X S+ 0 0 56 -4,-2.7 4,-2.1 1,-0.2 11,-0.3 0.863 109.0 51.0 -63.5 -35.0 -33.5 6.1 -25.7 44 44 X S H X S+ 0 0 69 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.907 109.2 49.1 -67.4 -44.9 -34.9 9.1 -27.5 45 45 X E H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 111.5 51.4 -60.1 -40.2 -33.2 11.6 -25.2 46 46 X L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.925 109.7 47.5 -61.4 -49.5 -29.9 9.7 -25.7 47 47 X D H X>S+ 0 0 33 -4,-2.1 4,-2.7 1,-0.2 5,-1.0 0.893 112.7 50.2 -60.7 -42.5 -30.2 9.8 -29.5 48 48 X K H <5S+ 0 0 141 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.889 112.2 47.3 -60.6 -44.6 -31.0 13.5 -29.4 49 49 X A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 120.9 36.5 -66.4 -38.3 -28.0 14.2 -27.1 50 50 X I H <5S- 0 0 38 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.747 102.5-126.7 -88.5 -29.5 -25.6 12.1 -29.3 51 51 X G T <5S+ 0 0 69 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.688 78.1 70.1 87.6 20.1 -27.0 13.0 -32.7 52 52 X R S - 0 0 11 -2,-1.0 3,-1.0 -11,-0.3 -1,-0.2 0.712 31.8-141.8 -88.9 -25.7 -27.7 4.7 -30.6 55 55 X N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.904 73.9 -55.6 52.4 45.0 -30.0 1.9 -29.5 56 56 X G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.488 118.5 100.5 76.4 6.5 -29.0 2.5 -25.8 57 57 X V B < +C 16 0B 75 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.985 43.2 175.3-129.0 133.3 -25.2 2.1 -26.3 58 58 X I - 0 0 4 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.870 28.0-109.7-128.9 166.2 -22.5 4.8 -26.7 59 59 X T > - 0 0 71 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.412 32.1-108.5 -88.3 169.1 -18.7 4.9 -27.0 60 60 X K H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 121.0 52.1 -63.5 -41.7 -16.2 6.1 -24.4 61 61 X D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.1 48.4 -59.2 -44.1 -15.5 9.2 -26.5 62 62 X E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 111.2 50.8 -65.1 -40.5 -19.2 10.0 -26.7 63 63 X A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -34,-0.4 0.919 111.2 47.7 -61.1 -44.5 -19.6 9.5 -23.0 64 64 X E H X S+ 0 0 90 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.853 108.5 55.8 -67.5 -34.3 -16.7 11.9 -22.3 65 65 X K H X S+ 0 0 136 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.943 110.2 43.6 -62.2 -48.5 -18.2 14.4 -24.8 66 66 X L H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.904 112.4 55.3 -62.6 -39.9 -21.5 14.5 -22.8 67 67 X F H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.910 106.9 48.5 -58.7 -46.4 -19.5 14.6 -19.6 68 68 X N H X S+ 0 0 91 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.906 112.8 48.7 -60.8 -42.1 -17.6 17.7 -20.7 69 69 X Q H X S+ 0 0 96 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.917 111.8 49.5 -62.9 -43.9 -20.8 19.4 -21.7 70 70 X D H X S+ 0 0 35 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.868 111.7 46.6 -65.6 -42.5 -22.5 18.5 -18.4 71 71 X V H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.952 114.1 49.3 -62.4 -48.5 -19.6 19.9 -16.3 72 72 X D H X S+ 0 0 91 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.941 111.8 48.9 -53.3 -52.5 -19.6 23.0 -18.4 73 73 X A H X S+ 0 0 62 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.852 109.0 52.6 -55.4 -42.4 -23.3 23.4 -18.0 74 74 X A H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.929 112.7 43.8 -63.5 -47.4 -23.1 22.9 -14.2 75 75 X V H X S+ 0 0 31 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.952 114.2 49.5 -59.5 -52.2 -20.5 25.7 -13.8 76 76 X R H X S+ 0 0 109 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.874 110.5 52.1 -60.3 -36.5 -22.3 28.0 -16.2 77 77 X G H X S+ 0 0 12 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.904 107.0 51.9 -61.3 -46.4 -25.5 27.3 -14.2 78 78 X I H >< S+ 0 0 3 -4,-2.1 3,-0.9 1,-0.2 7,-0.5 0.932 110.0 49.4 -53.8 -48.7 -23.8 28.2 -10.9 79 79 X L H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 111.1 49.3 -68.7 -24.3 -22.6 31.5 -12.4 80 80 X R H 3< S+ 0 0 178 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.584 92.8 93.5 -87.5 -11.8 -26.1 32.4 -13.7 81 81 X N S+ 0 0 83 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.841 120.4 40.2 -84.8 -37.2 -27.8 32.6 -4.8 84 84 X L H > S+ 0 0 7 -6,-0.2 4,-2.9 -7,-0.1 5,-0.2 0.857 101.9 68.1 -81.8 -39.0 -25.0 30.3 -5.9 85 85 X K H X S+ 0 0 83 -4,-2.8 4,-3.0 -7,-0.5 5,-0.2 0.894 99.6 46.0 -54.3 -52.4 -22.7 32.7 -7.7 86 86 X P H > S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.871 115.8 47.6 -63.2 -33.1 -21.5 34.8 -4.8 87 87 X V H X S+ 0 0 13 -4,-0.6 4,-0.7 -3,-0.2 3,-0.3 0.957 114.0 47.1 -68.5 -48.1 -20.8 31.7 -2.7 88 88 X Y H >< S+ 0 0 29 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.912 111.4 51.0 -56.2 -47.5 -19.0 30.0 -5.6 89 89 X D H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.4 56.6 -62.9 -32.0 -16.9 33.2 -6.2 90 90 X S H 3< S+ 0 0 36 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.640 96.5 87.3 -72.0 -18.1 -15.9 33.4 -2.5 91 91 X L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.7 31,-0.0 -0.424 78.1-117.2 -86.6 155.3 -14.4 29.9 -2.6 92 92 X D > - 0 0 55 -2,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.383 42.4 -93.9 -75.1 169.6 -11.0 28.6 -3.6 93 93 X A H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.785 122.1 51.8 -61.3 -35.3 -10.5 26.2 -6.6 94 94 X V H > S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.964 114.1 42.4 -68.0 -50.9 -10.7 22.9 -4.6 95 95 X R H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.821 106.9 62.7 -65.5 -32.2 -14.0 23.9 -2.8 96 96 X R H X S+ 0 0 79 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 101.1 53.1 -56.1 -39.0 -15.3 25.2 -6.1 97 97 X A H X S+ 0 0 6 -4,-1.2 4,-2.8 -3,-0.5 -2,-0.2 0.893 106.2 52.2 -63.8 -39.3 -15.0 21.7 -7.4 98 98 X A H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.889 109.3 50.3 -61.7 -41.0 -17.1 20.4 -4.5 99 99 X A H X S+ 0 0 16 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.902 111.0 47.8 -62.6 -44.7 -19.7 23.0 -5.4 100 100 X I H X S+ 0 0 8 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.935 108.3 56.1 -61.3 -46.0 -19.8 21.8 -9.0 101 101 X N H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.927 107.7 48.2 -48.9 -53.5 -20.0 18.2 -7.8 102 102 X M H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.914 113.4 46.1 -54.6 -50.3 -23.2 19.0 -5.8 103 103 X V H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.914 109.7 55.4 -62.2 -44.1 -24.9 20.9 -8.7 104 104 X F H < S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 116.5 37.1 -51.1 -46.1 -23.9 18.1 -11.1 105 105 X Q H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 133.4 18.7 -79.2 -42.0 -25.6 15.5 -8.8 106 106 X M H X S- 0 0 53 -4,-2.9 4,-0.5 -5,-0.2 -3,-0.2 0.529 103.3-112.6-115.0 -5.8 -28.7 17.4 -7.6 107 107 X G H X - 0 0 32 -4,-2.5 4,-2.0 -5,-0.4 5,-0.2 0.148 34.4 -83.3 83.8 154.7 -29.2 20.3 -9.9 108 108 X E H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.782 126.5 54.0 -71.9 -26.9 -28.9 24.0 -9.1 109 109 X T H > S+ 0 0 124 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.945 108.1 51.8 -67.0 -49.0 -32.3 24.4 -7.6 110 110 X G H >< S+ 0 0 36 -4,-0.5 3,-0.7 1,-0.2 -2,-0.2 0.920 114.3 42.8 -47.0 -51.7 -31.6 21.5 -5.2 111 111 X V H >< S+ 0 0 9 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.882 104.8 62.2 -68.6 -40.8 -28.3 23.1 -4.1 112 112 X A H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.694 95.6 63.5 -61.1 -19.4 -29.7 26.7 -3.9 113 113 X G T << S+ 0 0 58 -4,-1.0 -1,-0.3 -3,-0.7 3,-0.3 0.283 76.7 87.1 -86.7 7.2 -32.1 25.4 -1.1 114 114 X F <> + 0 0 33 -3,-2.3 4,-3.1 1,-0.2 3,-0.2 -0.308 56.6 151.7 -91.1 45.9 -29.0 24.6 1.0 115 115 X T H > + 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.810 65.6 45.0 -51.7 -43.3 -29.3 28.3 2.2 116 116 X N H > S+ 0 0 86 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.891 115.0 46.8 -73.0 -40.2 -27.8 27.7 5.7 117 117 X S H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.4 53.6 -62.7 -46.7 -24.9 25.6 4.4 118 118 X L H X S+ 0 0 19 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.891 107.9 49.5 -54.3 -46.4 -24.3 28.2 1.6 119 119 X R H X S+ 0 0 125 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.933 111.8 48.3 -58.8 -48.0 -24.1 31.0 4.2 120 120 X M H <>S+ 0 0 38 -4,-2.0 5,-2.6 1,-0.2 4,-0.3 0.844 109.8 53.2 -61.0 -37.8 -21.6 29.0 6.3 121 121 X L H ><5S+ 0 0 4 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.903 109.7 47.6 -64.6 -43.0 -19.5 28.3 3.2 122 122 X Q H 3<5S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 111.3 50.3 -68.1 -34.2 -19.3 32.0 2.3 123 123 X Q T 3<5S- 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.534 112.3-125.2 -77.3 -6.6 -18.4 32.8 5.9 124 124 X K T < 5 + 0 0 94 -3,-0.8 2,-1.3 -4,-0.3 -3,-0.2 0.820 59.3 149.1 61.2 35.3 -15.7 30.1 5.7 125 125 X R >< + 0 0 117 -5,-2.6 4,-3.0 1,-0.2 -1,-0.2 -0.677 20.7 174.7 -92.5 77.4 -17.0 28.3 8.8 126 126 X W H > + 0 0 48 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.819 68.8 45.5 -64.7 -43.9 -15.9 25.0 7.4 127 127 X D H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 116.5 47.6 -66.0 -40.5 -16.6 22.6 10.3 128 128 X E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 111.3 50.3 -66.4 -44.4 -20.0 24.2 10.7 129 129 X A H X S+ 0 0 0 -4,-3.0 4,-2.8 -9,-0.2 -2,-0.2 0.936 109.4 52.9 -53.8 -49.5 -20.8 24.0 7.0 130 130 X A H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.885 109.9 46.6 -57.4 -45.2 -19.8 20.4 7.0 131 131 X V H < S+ 0 0 87 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.902 114.4 47.9 -63.5 -42.7 -22.1 19.5 9.9 132 132 X N H >< S+ 0 0 38 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.892 106.2 57.3 -66.7 -40.3 -25.0 21.4 8.2 133 133 X L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.816 102.1 55.9 -59.9 -34.0 -24.4 19.8 4.8 134 134 X A T 3< S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.2 -1,-0.3 0.612 85.3 83.2 -77.6 -13.5 -24.9 16.3 6.3 135 135 X K S < S+ 0 0 159 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.533 81.6 97.8 -86.6 67.9 -28.3 17.2 7.7 136 136 X S S > S- 0 0 17 -2,-1.7 4,-2.0 1,-0.1 5,-0.1 -0.989 86.2-117.6-155.2 152.4 -29.9 16.4 4.3 137 137 X R H > S+ 0 0 145 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.911 116.2 62.7 -57.1 -42.2 -31.7 13.9 2.2 138 138 X W H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.901 105.4 42.6 -46.4 -54.0 -28.6 14.1 -0.0 139 139 X Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 115.0 49.4 -63.9 -46.8 -26.3 12.8 2.8 140 140 X N H < S+ 0 0 113 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.862 116.1 41.5 -64.3 -36.5 -28.8 10.0 3.9 141 141 X Q H < S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 134.0 19.5 -82.4 -33.0 -29.4 8.7 0.4 142 142 X T S X S+ 0 0 18 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 -0.553 74.0 159.2-133.5 67.4 -25.7 8.9 -0.8 143 143 X P H > S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.870 71.3 50.6 -64.0 -40.1 -23.6 9.0 2.4 144 144 X N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.933 116.4 40.4 -66.7 -46.8 -20.3 7.9 1.0 145 145 X R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 116.2 51.3 -62.5 -47.8 -20.3 10.3 -1.9 146 146 X A H X S+ 0 0 0 -4,-2.6 4,-3.2 -8,-0.2 -2,-0.2 0.908 107.6 53.4 -57.3 -43.4 -21.7 13.1 0.3 147 147 X K H X S+ 0 0 86 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.880 109.0 49.0 -58.8 -42.0 -18.9 12.4 2.9 148 148 X R H X S+ 0 0 68 -4,-1.6 4,-1.6 2,-0.2 12,-0.2 0.938 114.3 44.6 -61.6 -46.9 -16.2 12.8 0.2 149 149 X V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 114.3 50.0 -66.9 -41.3 -17.8 16.1 -1.1 150 150 X I H X S+ 0 0 15 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.883 107.2 53.4 -63.2 -41.1 -18.2 17.4 2.5 151 151 X T H X S+ 0 0 39 -4,-2.4 4,-2.5 2,-0.2 6,-0.4 0.875 107.3 53.6 -60.7 -36.6 -14.6 16.5 3.4 152 152 X T H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.928 111.5 43.8 -65.0 -47.3 -13.6 18.6 0.4 153 153 X F H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 116.0 49.6 -61.0 -39.6 -15.6 21.6 1.6 154 154 X R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.895 126.9 20.4 -69.4 -39.0 -14.3 21.1 5.2 155 155 X T H < S- 0 0 42 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.700 84.5-134.2-105.9 -28.4 -10.6 20.9 4.3 156 156 X G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.4 -62,-0.2 0.786 74.0 108.9 68.6 25.6 -10.1 22.5 0.9 157 157 X T S S- 0 0 47 -6,-0.4 -1,-0.3 -5,-0.2 3,-0.3 -0.818 78.3-125.6-122.6 167.7 -7.9 19.4 0.1 158 158 X W S >> S+ 0 0 55 -2,-0.3 3,-1.9 1,-0.2 4,-0.6 0.049 70.2 122.3 -96.2 22.0 -8.4 16.4 -2.2 159 159 X D G >4 + 0 0 116 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.853 67.1 57.9 -57.0 -39.1 -7.8 14.0 0.7 160 160 X A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.605 107.5 48.5 -67.8 -12.3 -11.1 12.2 0.3 161 161 X Y G <4 0 0 8 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.426 360.0 360.0-110.5 -3.9 -10.3 11.3 -3.3 162 162 X K << 0 0 214 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 -0.039 360.0 360.0 134.0 360.0 -6.8 10.0 -2.4