==== 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 2OTY . 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) . 8814.0 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 2 1 0 0 1 1 0 0 0 0 0 1 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 X M 0 0 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.1 -7.2 15.9 -9.1 2 2 X N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.922 360.0 -77.7-158.6 177.9 -9.7 18.3 -10.7 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.816 127.4 50.3 -57.2 -35.0 -13.5 18.6 -11.2 4 4 X F H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.957 114.5 42.1 -68.1 -48.9 -13.4 16.1 -14.1 5 5 X E H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.867 114.9 53.5 -64.4 -36.9 -11.4 13.5 -12.3 6 6 X M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.955 112.3 41.1 -63.1 -56.4 -13.6 14.1 -9.2 7 7 X L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.833 109.3 60.6 -63.0 -33.7 -16.9 13.6 -10.9 8 8 X R H X S+ 0 0 104 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.907 109.2 43.6 -61.2 -40.6 -15.5 10.6 -12.9 9 9 X I H < S+ 0 0 89 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.947 118.8 43.2 -63.9 -49.6 -14.8 8.9 -9.5 10 10 X D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.781 125.1 32.7 -69.9 -28.4 -18.2 9.8 -8.1 11 11 X E H < S- 0 0 42 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.711 91.4-154.9-102.8 -26.4 -20.3 9.1 -11.2 12 12 X G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.238 23.8 -88.4 74.8-172.0 -18.5 6.1 -12.8 13 13 X L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.946 43.9 166.9-143.5 119.5 -18.6 5.3 -16.5 14 14 X R E -A 28 0A 146 14,-1.7 14,-2.5 -2,-0.4 4,-0.1 -0.998 21.9-160.5-135.5 131.6 -21.3 3.1 -18.2 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.504 74.5 64.5 -94.0 -6.3 -21.9 2.9 -21.9 16 16 X K E S-C 57 0B 98 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.881 100.8 -87.2-112.7 149.7 -25.4 1.4 -21.7 17 17 X I E + 0 0 31 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.311 58.1 167.8 -52.9 127.3 -28.5 3.1 -20.3 18 18 X Y E -A 26 0A 28 8,-2.6 8,-2.7 -4,-0.1 2,-0.4 -0.873 37.5-102.5-135.0 169.2 -28.7 2.4 -16.6 19 19 X K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.837 34.6-137.0 -97.4 133.6 -30.7 3.7 -13.6 20 20 X D > - 0 0 45 4,-2.8 3,-1.8 -2,-0.4 -1,-0.1 0.015 42.3 -77.3 -74.6-170.5 -29.0 6.2 -11.3 21 21 X T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.743 135.4 49.2 -65.0 -23.2 -29.2 6.1 -7.5 22 22 X E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.389 123.3-104.0 -95.7 2.0 -32.7 7.7 -7.7 23 23 X G S < S+ 0 0 38 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.593 75.2 139.9 84.6 15.6 -33.9 5.1 -10.3 24 24 X Y - 0 0 78 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.746 60.8-101.3 -96.2 138.3 -33.7 7.5 -13.3 25 25 X Y E +A 19 0A 37 11,-0.4 8,-2.6 9,-0.4 9,-1.2 -0.311 54.5 160.4 -59.1 132.6 -32.4 6.6 -16.7 26 26 X T E -AB 18 32A 2 -8,-2.7 -8,-2.6 6,-0.3 2,-0.3 -0.919 19.5-165.3-150.9 157.7 -28.8 7.8 -17.2 27 27 X I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 -12,-0.2 -0.972 52.1 0.2-146.5 164.4 -25.8 7.0 -19.4 28 28 X G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.7 -2,-0.3 2,-0.9 -0.358 124.4 -3.1 68.1-127.6 -22.0 7.7 -19.6 29 29 X I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.667 128.8 -54.1-103.3 74.8 -20.6 9.7 -16.7 30 30 X G T 4 S+ 0 0 12 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.821 81.7 164.7 60.6 33.5 -23.8 10.5 -14.7 31 31 X H E < -B 27 0A 29 -4,-2.3 -4,-1.8 -20,-0.1 2,-0.2 -0.724 31.0-143.7 -82.7 100.7 -25.6 12.0 -17.7 32 32 X L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.462 18.6-175.2 -63.7 126.2 -29.2 12.1 -16.6 33 33 X L - 0 0 11 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.882 58.5 -34.8 -90.3 -45.4 -31.4 11.3 -19.6 34 34 X T - 0 0 32 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.960 34.9-130.0-171.6 154.8 -34.9 11.8 -18.1 35 35 X K S S+ 0 0 127 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.411 75.9 114.8 -93.9 0.7 -36.9 11.4 -14.9 36 36 X S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.475 69.6-137.6 -67.2 136.0 -39.6 9.6 -17.0 37 37 X P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.487 76.3 105.7 -71.9 -0.6 -40.1 5.9 -16.2 38 38 X S > - 0 0 51 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.731 55.6-164.3 -86.5 117.1 -40.3 5.3 -19.9 39 39 X L H > S+ 0 0 69 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.858 94.2 55.8 -64.4 -37.7 -37.2 3.6 -21.4 40 40 X N H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 106.7 49.7 -59.2 -41.7 -38.3 4.6 -24.9 41 41 X A H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 111.8 49.1 -63.0 -40.5 -38.5 8.3 -23.7 42 42 X A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.899 108.7 51.9 -64.7 -43.5 -34.9 7.8 -22.3 43 43 X K H X S+ 0 0 73 -4,-2.7 4,-2.3 1,-0.2 11,-0.3 0.858 108.9 52.0 -61.7 -36.6 -33.7 6.3 -25.6 44 44 X S H X S+ 0 0 71 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 108.6 49.3 -64.7 -46.9 -35.1 9.3 -27.4 45 45 X E H X S+ 0 0 67 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.881 111.1 51.6 -58.4 -40.8 -33.3 11.8 -25.1 46 46 X L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.945 110.1 47.1 -61.0 -50.2 -30.1 9.8 -25.7 47 47 X D H X>S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 5,-0.8 0.884 112.7 50.9 -59.5 -40.8 -30.5 9.9 -29.5 48 48 X K H <5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 112.3 46.4 -62.8 -43.4 -31.2 13.7 -29.2 49 49 X A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 119.9 37.9 -68.4 -37.3 -28.1 14.3 -27.1 50 50 X I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.750 102.3-126.8 -88.7 -29.1 -25.7 12.2 -29.3 51 51 X G T <5S+ 0 0 69 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.670 77.6 70.2 88.0 19.7 -27.1 13.2 -32.7 52 52 X R S - 0 0 14 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.715 31.9-141.2 -89.8 -23.4 -27.9 4.9 -30.6 55 55 X N T 3 S- 0 0 49 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.867 73.0 -57.5 57.2 38.6 -30.2 2.1 -29.6 56 56 X G T 3 S+ 0 0 7 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.480 118.5 100.4 76.6 4.6 -29.3 2.8 -25.9 57 57 X V B < +C 16 0B 73 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.976 43.8 176.3-126.4 136.8 -25.5 2.3 -26.4 58 58 X I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.865 26.8-109.8-131.3 167.9 -22.8 4.9 -26.7 59 59 X T > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.425 32.1-108.1 -90.8 168.5 -19.0 5.0 -27.0 60 60 X K H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 120.9 52.4 -61.0 -43.6 -16.4 6.2 -24.4 61 61 X D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 110.1 47.7 -59.3 -46.5 -15.7 9.3 -26.6 62 62 X E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 111.0 51.9 -60.1 -42.4 -19.4 10.1 -26.8 63 63 X A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.928 111.5 46.5 -59.2 -44.7 -19.7 9.7 -23.0 64 64 X E H X S+ 0 0 86 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.832 109.0 55.5 -70.1 -32.4 -16.8 12.1 -22.4 65 65 X K H X S+ 0 0 138 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.953 110.9 43.7 -63.9 -51.3 -18.3 14.6 -24.9 66 66 X L H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.892 112.2 55.0 -57.3 -42.2 -21.6 14.7 -22.9 67 67 X F H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 106.8 49.3 -59.0 -48.4 -19.6 14.8 -19.6 68 68 X N H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.905 113.2 47.2 -57.3 -44.5 -17.7 17.9 -20.7 69 69 X Q H X S+ 0 0 96 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.908 112.0 50.6 -63.0 -42.7 -20.9 19.6 -21.8 70 70 X D H X S+ 0 0 37 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.908 111.8 46.0 -65.2 -45.8 -22.6 18.7 -18.5 71 71 X V H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.943 113.7 50.0 -59.4 -49.7 -19.8 20.0 -16.3 72 72 X D H X S+ 0 0 95 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.936 112.9 45.7 -54.3 -52.2 -19.6 23.2 -18.4 73 73 X A H X S+ 0 0 66 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.835 110.3 54.6 -63.4 -34.8 -23.4 23.8 -18.1 74 74 X A H X S+ 0 0 13 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.938 112.0 43.0 -62.9 -49.0 -23.3 23.1 -14.4 75 75 X V H X S+ 0 0 33 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.911 114.3 50.5 -61.6 -47.1 -20.6 25.7 -13.7 76 76 X R H X S+ 0 0 123 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.889 107.9 53.7 -63.2 -38.9 -22.3 28.3 -16.1 77 77 X G H X S+ 0 0 12 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.886 105.8 53.7 -59.5 -43.1 -25.6 27.7 -14.3 78 78 X I H >< S+ 0 0 3 -4,-1.8 3,-1.4 1,-0.2 7,-0.5 0.946 108.8 48.4 -53.8 -50.9 -24.0 28.5 -10.9 79 79 X L H 3< S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 111.5 50.9 -64.1 -28.9 -22.7 31.8 -12.3 80 80 X R H 3< S+ 0 0 180 -4,-1.5 2,-0.7 -5,-0.2 -1,-0.3 0.479 92.4 89.4 -86.3 -5.8 -26.1 32.6 -13.6 81 81 X N XX - 0 0 39 -3,-1.4 4,-3.2 -4,-0.6 3,-1.2 -0.859 65.6-155.2-100.3 114.7 -27.8 31.9 -10.3 82 82 X A T 34 S+ 0 0 92 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.717 95.1 48.6 -61.9 -25.0 -27.9 35.0 -8.0 83 83 X K T 34 S+ 0 0 70 2,-0.1 -1,-0.3 1,-0.1 4,-0.3 0.662 120.0 36.5 -85.8 -20.3 -28.1 32.8 -4.9 84 84 X L T <> S+ 0 0 16 -3,-1.2 4,-2.6 -6,-0.3 3,-0.3 0.809 101.2 71.3-100.3 -37.9 -25.2 30.6 -5.9 85 85 X K H X S+ 0 0 97 -4,-3.2 4,-2.9 -7,-0.5 5,-0.2 0.872 96.6 48.6 -52.4 -50.2 -22.8 33.0 -7.6 86 86 X P H > S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.902 114.8 45.9 -62.3 -38.7 -21.5 35.0 -4.6 87 87 X V H > S+ 0 0 10 -3,-0.3 4,-0.7 -4,-0.3 3,-0.3 0.954 114.1 48.2 -66.2 -48.5 -20.8 31.9 -2.6 88 88 X Y H >< S+ 0 0 31 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.933 111.7 49.3 -56.0 -49.3 -19.1 30.1 -5.5 89 89 X D H 3< S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.2 59.4 -63.3 -27.4 -16.9 33.2 -6.2 90 90 X S H 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.683 94.9 87.6 -73.0 -18.2 -16.0 33.4 -2.5 91 91 X L S << S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.7 31,-0.0 -0.458 78.8-117.3 -86.7 152.6 -14.4 29.9 -2.7 92 92 X D > - 0 0 55 -2,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.343 44.1 -94.7 -70.3 168.5 -11.0 28.7 -3.6 93 93 X A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.773 121.8 52.6 -63.1 -33.6 -10.6 26.4 -6.6 94 94 X V H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.960 112.5 43.8 -68.9 -50.0 -10.8 23.1 -4.7 95 95 X R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.824 107.0 62.6 -65.1 -30.9 -14.0 24.0 -2.9 96 96 X R H X S+ 0 0 77 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 101.0 52.0 -56.7 -40.9 -15.4 25.3 -6.2 97 97 X A H X S+ 0 0 6 -4,-1.3 4,-2.9 -3,-0.5 -2,-0.2 0.915 106.6 53.1 -63.5 -42.4 -15.1 21.8 -7.6 98 98 X A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.893 108.9 50.5 -56.7 -40.8 -17.1 20.5 -4.5 99 99 X A H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.915 111.2 47.3 -62.1 -45.2 -19.8 23.1 -5.4 100 100 X I H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.903 108.3 56.8 -65.0 -40.9 -19.9 21.9 -9.0 101 101 X N H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.940 107.6 47.3 -53.9 -51.4 -20.1 18.3 -7.8 102 102 X M H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.894 113.2 47.0 -58.8 -45.9 -23.2 19.0 -5.8 103 103 X V H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 109.6 54.9 -65.0 -40.8 -25.0 20.9 -8.6 104 104 X F H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 115.1 40.0 -55.5 -44.3 -24.1 18.1 -11.0 105 105 X Q H < S+ 0 0 48 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 133.7 15.9 -76.1 -43.4 -25.7 15.5 -8.7 106 106 X M H X S- 0 0 41 -4,-2.6 4,-0.9 -5,-0.2 -3,-0.2 0.519 97.3-130.5-114.8 -5.8 -28.8 17.3 -7.5 107 107 X G H X - 0 0 28 -4,-2.4 4,-1.6 -5,-0.4 3,-0.2 0.012 42.2 -67.0 74.0 169.9 -29.3 20.3 -9.9 108 108 X E H > S+ 0 0 72 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.845 136.3 55.3 -61.5 -34.2 -29.8 23.9 -8.8 109 109 X T H 4 S+ 0 0 125 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.845 106.9 50.5 -66.9 -35.3 -33.3 23.0 -7.4 110 110 X G H >< S+ 0 0 28 -4,-0.9 3,-0.7 1,-0.2 -1,-0.2 0.840 109.4 51.2 -67.9 -35.0 -31.7 20.3 -5.2 111 111 X V H >< S+ 0 0 9 -4,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.681 89.5 82.5 -76.7 -18.3 -29.1 22.9 -4.0 112 112 X A G >< S+ 0 0 63 -4,-0.9 3,-0.8 1,-0.3 -1,-0.2 0.786 85.6 57.6 -57.6 -30.9 -32.0 25.4 -3.1 113 113 X G G < S+ 0 0 73 -3,-0.7 3,-0.4 -4,-0.4 -1,-0.3 0.601 91.9 73.2 -74.2 -9.8 -32.5 23.6 0.2 114 114 X F G X> + 0 0 20 -3,-2.0 4,-2.6 1,-0.2 3,-0.8 0.199 54.3 122.8 -95.3 17.0 -28.9 24.2 1.2 115 115 X T H <> S+ 0 0 78 -3,-0.8 4,-1.8 1,-0.3 -1,-0.2 0.837 76.4 48.6 -44.6 -47.0 -29.2 28.0 1.9 116 116 X N H 3> S+ 0 0 91 -3,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.846 112.0 48.5 -66.8 -36.3 -27.9 27.6 5.5 117 117 X S H <> S+ 0 0 1 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.899 109.6 52.5 -67.5 -44.3 -24.9 25.5 4.4 118 118 X L H X S+ 0 0 28 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.865 106.4 53.6 -60.7 -39.6 -24.0 28.0 1.7 119 119 X R H X S+ 0 0 127 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.934 109.4 47.9 -59.9 -47.5 -24.0 30.9 4.2 120 120 X M H <>S+ 0 0 44 -4,-1.5 5,-2.5 1,-0.2 4,-0.3 0.859 111.2 51.8 -61.7 -37.4 -21.6 29.0 6.4 121 121 X L H ><5S+ 0 0 4 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.915 108.7 49.1 -63.4 -45.2 -19.4 28.3 3.3 122 122 X Q H 3<5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.857 111.1 51.8 -62.2 -34.5 -19.4 32.0 2.4 123 123 X Q T 3<5S- 0 0 90 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.529 110.3-127.8 -75.4 -9.7 -18.4 32.7 6.0 124 124 X K T < 5 + 0 0 100 -3,-1.2 2,-1.3 -4,-0.3 -3,-0.2 0.814 59.5 147.1 58.1 34.0 -15.6 30.1 5.8 125 125 X R >< + 0 0 121 -5,-2.5 4,-2.9 1,-0.2 -1,-0.2 -0.689 22.7 174.7 -91.6 75.6 -16.9 28.4 8.9 126 126 X W H > + 0 0 50 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.834 67.7 44.4 -64.0 -43.0 -15.7 25.1 7.4 127 127 X D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 116.9 47.0 -69.7 -42.7 -16.4 22.6 10.3 128 128 X E H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.908 111.7 51.4 -62.0 -47.2 -19.8 24.1 10.9 129 129 X A H X S+ 0 0 0 -4,-2.9 4,-2.7 -9,-0.2 -2,-0.2 0.916 109.0 51.5 -51.9 -48.3 -20.6 24.1 7.2 130 130 X A H X S+ 0 0 9 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.915 110.6 47.7 -59.7 -46.1 -19.6 20.4 7.0 131 131 X V H < S+ 0 0 99 -4,-2.1 3,-0.5 1,-0.2 4,-0.5 0.941 113.7 47.8 -59.0 -48.1 -21.9 19.5 10.0 132 132 X N H >< S+ 0 0 39 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.869 106.3 57.8 -61.8 -38.9 -24.8 21.5 8.4 133 133 X L H 3< S+ 0 0 0 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.813 101.3 56.1 -61.2 -33.1 -24.2 19.8 4.9 134 134 X A T 3< S+ 0 0 29 -4,-1.2 2,-1.7 -3,-0.5 -1,-0.2 0.576 84.7 84.1 -78.7 -11.7 -24.7 16.3 6.5 135 135 X K S < S+ 0 0 117 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.518 80.9 97.9 -88.1 66.0 -28.1 17.2 7.8 136 136 X S S > S- 0 0 18 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.995 85.6-118.5-154.6 151.2 -29.7 16.4 4.5 137 137 X R H > S+ 0 0 143 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.927 115.9 62.2 -54.3 -45.8 -31.6 13.9 2.4 138 138 X W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.909 105.5 43.2 -43.2 -56.0 -28.5 14.1 0.1 139 139 X Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.8 49.9 -61.5 -45.8 -26.2 12.8 2.9 140 140 X N H < S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 116.1 40.5 -64.1 -36.4 -28.6 10.1 4.0 141 141 X Q H < S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 133.2 21.2 -85.8 -33.3 -29.2 8.7 0.5 142 142 X T S X S+ 0 0 18 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.537 73.5 158.3-130.2 69.6 -25.6 8.9 -0.8 143 143 X P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 70.6 52.0 -65.5 -39.3 -23.5 9.0 2.4 144 144 X N H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.943 116.3 39.8 -65.6 -45.8 -20.2 7.8 0.9 145 145 X R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 115.2 52.8 -63.6 -46.3 -20.2 10.4 -1.9 146 146 X A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.902 106.6 53.7 -57.0 -43.2 -21.6 13.1 0.5 147 147 X K H X S+ 0 0 77 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.872 109.4 48.2 -58.3 -40.5 -18.7 12.4 2.9 148 148 X R H X S+ 0 0 68 -4,-1.5 4,-1.7 -3,-0.2 12,-0.2 0.932 114.7 44.4 -64.1 -46.9 -16.1 12.9 0.1 149 149 X V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.922 114.8 49.4 -65.9 -44.3 -17.7 16.1 -1.1 150 150 X I H X S+ 0 0 15 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.906 108.3 52.5 -62.0 -44.6 -18.1 17.4 2.5 151 151 X T H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 6,-0.4 0.873 107.8 53.2 -57.3 -39.2 -14.5 16.6 3.4 152 152 X T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.3 0.919 112.0 44.0 -63.1 -45.8 -13.5 18.6 0.3 153 153 X F H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 114.8 50.6 -62.3 -39.6 -15.5 21.6 1.6 154 154 X R H < S+ 0 0 106 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.906 126.4 20.5 -67.7 -41.3 -14.2 21.1 5.2 155 155 X T H < S- 0 0 42 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.685 85.8-132.1-105.1 -25.3 -10.5 21.0 4.2 156 156 X G S < S+ 0 0 19 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.763 74.5 109.5 67.9 24.2 -10.0 22.6 0.8 157 157 X T S S- 0 0 47 -6,-0.4 3,-0.4 -5,-0.3 -1,-0.3 -0.832 78.5-125.1-122.9 166.6 -7.9 19.5 -0.1 158 158 X W S > S+ 0 0 51 -2,-0.3 3,-1.8 1,-0.2 4,-0.4 0.076 70.4 122.5 -95.5 20.3 -8.4 16.5 -2.4 159 159 X D G > + 0 0 123 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.836 67.8 56.9 -51.2 -41.0 -7.7 14.1 0.6 160 160 X A G 3 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.624 112.8 41.2 -69.7 -12.7 -11.0 12.3 0.2 161 161 X Y G < 0 0 9 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.334 360.0 360.0-113.5 6.5 -10.2 11.4 -3.5 162 162 X K < 0 0 217 -3,-1.1 -1,-0.3 -4,-0.4 -4,-0.1 -0.629 360.0 360.0 63.4 360.0 -6.5 10.5 -3.0