==== 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 2OE7 . 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) . 8595.0 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 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 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.1 43.3 -1.8 9.0 2 2 X N > - 0 0 67 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.901 360.0 -79.8-148.1 179.6 40.0 -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 0.860 125.8 52.1 -54.6 -40.7 37.9 2.4 11.1 4 4 X F H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 112.8 42.2 -63.5 -49.2 40.1 3.6 14.0 5 5 X E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.860 114.3 54.4 -64.8 -35.4 43.4 3.3 12.1 6 6 X M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.953 111.9 41.6 -63.8 -54.1 41.7 4.8 9.0 7 7 X L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.826 109.6 58.7 -65.0 -31.8 40.5 7.9 10.8 8 8 X R H X S+ 0 0 100 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.881 109.3 45.9 -63.7 -36.5 43.8 8.3 12.7 9 9 X I H < S+ 0 0 84 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.936 117.9 42.2 -67.2 -46.0 45.5 8.5 9.3 10 10 X D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.810 125.5 32.4 -73.4 -30.8 43.0 11.0 8.0 11 11 X E H < S- 0 0 45 -4,-2.7 19,-0.4 -5,-0.2 -3,-0.2 0.732 90.0-153.7-102.3 -26.8 42.7 13.2 11.1 12 12 X G < - 0 0 24 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.177 25.0 -89.8 77.6 179.4 46.1 13.1 12.7 13 13 X L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 42.2 170.6-134.2 124.9 46.6 13.6 16.4 14 14 X R E -A 28 0A 147 14,-1.6 14,-2.6 -2,-0.4 4,-0.1 -0.996 19.3-161.7-133.2 131.7 47.2 17.0 18.1 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.392 74.5 62.6 -94.1 -1.0 47.2 17.4 21.8 16 16 X K E S-C 57 0B 92 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.933 101.7 -84.9-124.2 148.8 46.7 21.2 21.8 17 17 X I E + 0 0 17 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.254 58.5 169.4 -52.1 133.1 43.7 23.1 20.4 18 18 X Y E -A 26 0A 25 8,-3.0 8,-2.9 -4,-0.1 2,-0.4 -0.884 36.8-103.2-139.9 168.3 44.1 23.7 16.6 19 19 X K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.840 34.8-140.0 -96.9 135.5 42.1 24.9 13.7 20 20 X D > - 0 0 47 4,-2.3 3,-1.7 -2,-0.4 -1,-0.1 -0.043 41.6 -77.9 -82.1-167.7 40.8 22.3 11.3 21 21 X T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.749 135.1 48.4 -68.5 -23.4 40.7 22.6 7.5 22 22 X E T 3 S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.455 123.5-104.1 -93.0 -4.6 37.6 24.8 7.8 23 23 X G S < S+ 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.567 74.2 140.8 92.0 10.1 39.2 27.0 10.4 24 24 X Y - 0 0 79 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.714 60.9-101.2 -94.1 141.8 37.3 25.6 13.4 25 25 X Y E +AB 19 34A 33 9,-0.7 8,-2.6 11,-0.4 9,-1.2 -0.356 55.1 162.1 -60.1 128.2 38.7 24.9 16.8 26 26 X T E -AB 18 32A 3 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.884 18.2-170.5-144.2 159.5 39.5 21.2 17.1 27 27 X I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 -12,-0.2 -0.976 51.9 4.8-149.0 161.7 41.6 18.9 19.4 28 28 X G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.6 -2,-0.3 2,-1.0 -0.417 124.1 -6.5 74.7-133.5 42.8 15.3 19.5 29 29 X I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.711 128.9 -52.8-102.8 74.6 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 0.817 83.6 163.2 63.3 32.4 39.6 15.5 14.7 31 31 X H E < -B 27 0A 31 -4,-2.4 -4,-1.7 1,-0.0 2,-0.2 -0.749 31.8-142.3 -86.0 105.6 37.4 16.3 17.7 32 32 X L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.449 20.0-177.0 -67.7 126.7 35.5 19.5 16.7 33 33 X L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.918 59.7 -29.4 -87.0 -53.9 35.1 21.8 19.8 34 34 X T E -B 25 0A 30 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.4 -0.973 36.2-135.2-164.0 148.9 33.1 24.7 18.4 35 35 X K S S+ 0 0 139 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.460 73.8 115.4 -86.3 -1.9 32.5 26.6 15.1 36 36 X S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.442 72.5-130.7 -72.7 139.3 32.7 29.8 17.1 37 37 X P S S+ 0 0 125 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.467 78.6 103.2 -64.6 -3.6 35.7 32.2 16.4 38 38 X S > - 0 0 48 1,-0.2 4,-1.5 -13,-0.0 -2,-0.1 -0.734 56.9-162.1 -96.9 123.0 36.4 32.4 20.1 39 39 X L H > S+ 0 0 69 -2,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.807 96.6 55.7 -67.7 -28.7 39.4 30.5 21.6 40 40 X N H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 104.2 52.3 -69.7 -40.2 37.8 31.0 25.0 41 41 X A H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.864 111.5 48.7 -57.8 -36.9 34.6 29.4 23.8 42 42 X A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.923 109.3 50.5 -68.5 -47.7 36.8 26.4 22.5 43 43 X K H X S+ 0 0 52 -4,-2.4 4,-2.3 1,-0.2 11,-0.3 0.893 111.5 49.2 -59.4 -41.0 38.7 26.1 25.8 44 44 X S H X S+ 0 0 73 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.877 111.0 48.2 -69.0 -39.5 35.4 26.0 27.7 45 45 X E H X S+ 0 0 65 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.903 112.5 52.1 -61.4 -41.2 33.9 23.3 25.4 46 46 X L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.3 0.907 107.8 48.8 -61.6 -44.0 37.2 21.4 25.9 47 47 X D H X>S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 5,-1.2 0.918 113.3 47.9 -63.5 -40.3 37.0 21.6 29.7 48 48 X K H <5S+ 0 0 143 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.850 111.9 50.1 -66.3 -38.0 33.4 20.4 29.6 49 49 X A H <5S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 121.7 33.2 -67.8 -38.0 34.3 17.5 27.1 50 50 X I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.728 102.7-128.6 -91.6 -28.0 37.2 16.3 29.3 51 51 X G T <5S+ 0 0 68 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.772 76.1 73.0 80.5 28.4 35.8 17.2 32.7 52 52 X R S - 0 0 10 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.724 31.8-144.6 -94.7 -24.2 42.7 21.8 30.6 55 55 X N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.838 75.0 -58.2 50.7 35.6 44.1 25.1 29.5 56 56 X G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.471 117.6 101.1 84.2 3.9 43.8 23.9 25.9 57 57 X V B < +C 16 0B 71 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.979 44.0 178.2-125.2 135.3 46.1 20.9 26.3 58 58 X I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.798 27.0-111.6-126.3 168.5 45.0 17.2 26.7 59 59 X T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.531 32.3-105.5 -95.0 169.7 46.9 14.0 27.1 60 60 X K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 121.2 53.2 -60.1 -46.8 47.0 11.1 24.6 61 61 X D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 110.3 48.6 -51.3 -45.1 44.6 8.9 26.7 62 62 X E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.896 110.2 50.8 -67.1 -37.8 42.1 11.8 26.7 63 63 X A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -34,-0.5 0.904 111.9 47.9 -65.0 -41.6 42.5 12.3 22.9 64 64 X E H X S+ 0 0 76 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.821 108.3 54.9 -70.1 -32.2 41.8 8.6 22.4 65 65 X K H X S+ 0 0 137 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 109.5 45.6 -66.2 -46.7 38.8 8.7 24.8 66 66 X L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.900 111.9 54.6 -59.0 -40.2 37.2 11.5 22.8 67 67 X F H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.928 106.5 49.4 -60.2 -50.2 38.0 9.5 19.6 68 68 X N H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 113.1 48.2 -55.5 -41.6 36.3 6.4 20.8 69 69 X Q H X S+ 0 0 94 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.889 111.6 49.5 -66.0 -41.0 33.2 8.4 21.7 70 70 X D H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.874 111.7 47.2 -71.1 -39.3 33.2 10.2 18.3 71 71 X V H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.949 113.4 49.2 -63.3 -48.3 33.5 6.9 16.4 72 72 X D H X S+ 0 0 92 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.944 112.5 48.8 -54.1 -49.5 30.7 5.4 18.5 73 73 X A H X S+ 0 0 42 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.898 108.9 52.1 -60.1 -43.0 28.6 8.5 17.9 74 74 X A H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.942 111.8 46.6 -59.0 -47.9 29.2 8.4 14.1 75 75 X V H X S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.946 112.9 49.2 -58.1 -48.9 28.1 4.7 14.0 76 76 X R H X S+ 0 0 118 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.873 109.0 53.2 -62.3 -35.6 25.0 5.5 16.2 77 77 X G H X S+ 0 0 4 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.881 108.6 49.9 -66.9 -39.8 24.1 8.4 13.9 78 78 X I H >< S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.2 7,-0.5 0.964 112.4 47.3 -55.8 -52.0 24.2 6.2 10.8 79 79 X L H 3< S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.798 113.2 47.7 -69.0 -25.7 22.0 3.5 12.4 80 80 X R H 3< S+ 0 0 171 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.537 94.8 91.9 -87.6 -8.7 19.4 6.1 13.6 81 81 X N S+ 0 0 140 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.817 120.4 37.7 -85.7 -32.4 18.7 7.6 4.8 84 84 X L H > S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.2 0.863 102.5 67.5 -90.2 -39.7 22.0 6.2 6.0 85 85 X K H X S+ 0 0 88 -4,-2.7 4,-2.8 -7,-0.5 5,-0.2 0.916 100.6 47.4 -52.4 -53.0 21.0 3.0 7.8 86 86 X P H > S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.876 113.1 49.8 -63.2 -31.6 19.8 1.1 4.7 87 87 X V H X S+ 0 0 2 -4,-0.5 4,-1.0 -3,-0.2 3,-0.3 0.952 112.3 47.5 -65.0 -48.0 23.0 2.0 2.8 88 88 X Y H >< S+ 0 0 31 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.938 110.3 51.6 -58.5 -49.6 25.2 0.9 5.7 89 89 X D H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.800 108.4 53.7 -57.6 -30.1 23.3 -2.4 6.1 90 90 X S H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.711 97.0 86.8 -76.2 -22.3 23.8 -3.1 2.4 91 91 X L S << S- 0 0 4 -3,-1.1 31,-0.0 -4,-1.0 2,-0.0 -0.464 76.8-117.4 -85.5 150.4 27.6 -2.6 2.5 92 92 X D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.238 44.6 -92.3 -69.8 171.5 30.5 -5.0 3.2 93 93 X A H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.828 122.2 49.3 -64.0 -38.7 32.7 -4.3 6.3 94 94 X V H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.943 113.1 44.9 -67.6 -47.9 35.4 -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 0.819 105.9 62.6 -69.4 -29.6 32.9 0.1 2.7 96 96 X R H X S+ 0 0 83 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.924 100.8 53.4 -54.3 -43.9 31.0 0.5 5.9 97 97 X A H X S+ 0 0 6 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.877 104.7 54.7 -59.8 -40.0 34.2 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 0.883 108.1 48.8 -58.5 -41.7 34.2 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 0.900 110.7 50.0 -65.6 -41.5 30.7 5.6 5.3 100 100 X I H X S+ 0 0 8 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.929 107.7 55.4 -60.8 -43.3 31.7 6.0 9.0 101 101 X N H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 108.6 46.9 -54.9 -49.7 34.6 8.1 7.9 102 102 X M H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.898 113.6 48.0 -59.6 -44.5 32.4 10.5 5.9 103 103 X V H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 110.1 52.3 -65.5 -43.5 29.9 10.8 8.8 104 104 X F H < S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.0 41.3 -54.8 -45.1 32.7 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 0.884 134.0 14.1 -74.7 -42.3 34.1 14.3 9.0 106 106 X M H X S- 0 0 52 -4,-2.7 4,-0.5 -5,-0.2 -3,-0.2 0.481 103.7-111.7-122.8 0.5 30.9 16.0 8.0 107 107 X G H X - 0 0 33 -4,-2.6 4,-2.0 -5,-0.3 5,-0.2 0.068 35.7 -78.6 86.3 160.3 28.1 14.8 10.2 108 108 X E H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.876 127.8 52.4 -66.7 -37.0 25.0 12.6 9.6 109 109 X T H > S+ 0 0 119 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.912 109.0 49.7 -64.0 -44.0 23.0 15.5 8.0 110 110 X G H < S+ 0 0 33 -4,-0.5 3,-0.5 2,-0.2 -2,-0.2 0.913 114.1 44.2 -61.2 -46.1 25.8 16.3 5.5 111 111 X V H >< S+ 0 0 0 -4,-2.0 3,-2.9 1,-0.2 -2,-0.2 0.934 105.8 60.4 -67.6 -43.2 26.3 12.7 4.4 112 112 X A H 3< S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 95.2 68.0 -55.3 -22.8 22.5 12.1 4.1 113 113 X G T 3< S+ 0 0 55 -4,-0.9 2,-0.8 -3,-0.5 -1,-0.3 0.529 75.7 83.0 -70.5 -8.7 22.7 15.0 1.6 114 114 X F <> + 0 0 37 -3,-2.9 4,-2.8 1,-0.2 5,-0.2 -0.259 57.2 154.8 -91.3 50.9 24.6 12.7 -0.8 115 115 X T H > + 0 0 86 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.813 67.5 44.3 -46.8 -51.1 21.3 11.2 -2.0 116 116 X N H > S+ 0 0 81 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 115.4 46.9 -65.8 -44.6 22.5 10.2 -5.5 117 117 X S H > S+ 0 0 0 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.889 110.9 53.3 -62.0 -43.0 25.8 8.7 -4.3 118 118 X L H X S+ 0 0 11 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.912 108.9 48.9 -60.7 -45.6 24.0 6.8 -1.5 119 119 X R H X S+ 0 0 121 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 112.5 47.9 -59.2 -44.6 21.6 5.3 -4.0 120 120 X M H <>S+ 0 0 40 -4,-2.1 5,-2.3 2,-0.2 4,-0.5 0.883 111.1 51.2 -64.3 -37.6 24.5 4.2 -6.2 121 121 X L H ><5S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.959 108.7 50.7 -64.7 -47.8 26.3 2.8 -3.2 122 122 X Q H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.852 111.5 48.5 -54.5 -36.8 23.2 0.8 -2.2 123 123 X Q T 3<5S- 0 0 89 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.475 112.5-122.3 -82.3 -5.1 23.0 -0.6 -5.8 124 124 X K T < 5 + 0 0 99 -3,-1.6 2,-1.3 -4,-0.5 -3,-0.2 0.786 61.5 147.7 63.9 34.1 26.7 -1.5 -5.8 125 125 X R >< + 0 0 117 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.673 20.3 172.3 -92.6 75.6 27.4 0.7 -8.8 126 126 X W H > + 0 0 50 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.862 67.4 47.9 -63.4 -45.8 30.9 1.4 -7.5 127 127 X D H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 115.9 46.4 -63.3 -41.4 32.5 3.3 -10.4 128 128 X E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.855 110.6 50.8 -68.9 -39.7 29.5 5.5 -10.8 129 129 X A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.879 109.1 53.3 -60.3 -42.4 29.2 6.3 -7.0 130 130 X A H X S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.895 109.7 47.1 -60.6 -46.2 32.9 7.2 -7.0 131 131 X V H X S+ 0 0 87 -4,-1.9 4,-0.6 2,-0.2 3,-0.3 0.925 115.4 45.6 -59.7 -48.1 32.3 9.7 -9.9 132 132 X N H >< S+ 0 0 39 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.909 107.8 56.7 -65.9 -41.5 29.3 11.2 -8.2 133 133 X L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.2 -1,-0.2 0.829 102.2 58.0 -55.3 -34.8 31.0 11.4 -4.8 134 134 X A H 3< S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.2 0.657 85.8 79.6 -73.1 -19.9 33.8 13.6 -6.4 135 135 X K S << S+ 0 0 157 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.569 81.3 99.8 -84.8 70.9 31.3 16.2 -7.6 136 136 X S S > S- 0 0 16 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.991 84.7-118.7-155.4 150.9 31.1 17.8 -4.1 137 137 X R H > S+ 0 0 148 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.910 116.0 62.4 -56.0 -42.4 32.5 20.6 -2.1 138 138 X W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.908 106.0 42.2 -46.4 -52.2 33.9 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 0.893 115.7 48.9 -67.9 -42.6 36.1 16.5 -2.7 140 140 X N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.839 116.7 41.7 -70.8 -30.9 37.2 20.0 -3.9 141 141 X Q H < S+ 0 0 105 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.866 132.3 20.1 -82.0 -39.9 38.1 21.2 -0.3 142 142 X T S X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 -0.594 74.2 161.4-127.1 68.4 39.9 18.1 1.0 143 143 X P H > S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 70.1 51.7 -63.5 -36.9 40.8 16.2 -2.2 144 144 X N H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.944 116.4 39.4 -69.0 -45.5 43.5 13.8 -0.8 145 145 X R H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 116.3 51.2 -63.5 -46.8 41.3 12.6 2.0 146 146 X A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.917 108.2 53.0 -59.7 -42.0 38.2 12.4 -0.2 147 147 X K H X S+ 0 0 97 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.871 107.9 50.7 -58.8 -40.8 40.2 10.4 -2.8 148 148 X R H X S+ 0 0 69 -4,-1.6 4,-1.2 2,-0.2 12,-0.2 0.903 114.5 43.7 -64.0 -39.6 41.2 7.9 -0.1 149 149 X V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 114.1 49.5 -71.8 -47.3 37.6 7.5 1.0 150 150 X I H X S+ 0 0 13 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.909 109.2 52.5 -57.2 -45.6 36.2 7.3 -2.6 151 151 X T H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 6,-0.3 0.850 106.3 54.8 -56.0 -36.7 38.9 4.7 -3.5 152 152 X T H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.905 111.1 43.5 -67.8 -41.7 37.7 2.6 -0.5 153 153 X F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.847 114.8 51.5 -68.1 -36.4 34.1 2.7 -1.8 154 154 X R H < S+ 0 0 107 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.920 126.2 20.1 -69.0 -41.1 35.2 2.0 -5.3 155 155 X T H < S- 0 0 46 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.639 85.2-135.5-104.8 -22.3 37.4 -1.1 -4.5 156 156 X G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.771 73.1 103.8 60.9 27.8 36.2 -2.4 -1.1 157 157 X T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.831 80.1-120.5-129.0 171.0 39.9 -2.8 -0.1 158 158 X W S >> S+ 0 0 42 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 0.144 71.9 121.3 -94.5 16.4 42.2 -0.7 2.1 159 159 X D G >4 + 0 0 97 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.793 66.9 57.7 -57.1 -32.4 44.7 -0.0 -0.7 160 160 X A G 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.675 109.6 48.1 -72.1 -13.6 44.5 3.8 -0.4 161 161 X Y G <4 0 0 18 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.472 360.0 360.0-103.6 -3.0 45.6 3.5 3.2 162 162 X K << 0 0 173 -3,-0.9 -3,-0.1 -4,-0.6 0, 0.0 0.177 360.0 360.0-109.9 360.0 48.6 1.1 2.7