==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DN4 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 6.1 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 1 1 0 1 1 2 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 A M 0 0 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.0 43.0 -1.6 8.9 2 2 A N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.920 360.0 -78.6-157.8-180.0 39.7 -0.6 10.5 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.840 126.9 50.3 -59.0 -36.1 37.6 2.5 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 114.5 41.3 -68.1 -49.4 39.8 3.7 14.1 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.835 115.2 54.4 -65.2 -33.6 43.1 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.949 111.9 40.6 -66.7 -52.4 41.4 4.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.831 109.5 60.6 -69.1 -31.5 40.2 8.0 10.9 8 8 A R H X S+ 0 0 106 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.912 108.5 45.2 -58.4 -42.4 43.5 8.3 12.8 9 9 A I H < S+ 0 0 49 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.952 118.4 41.7 -63.1 -50.8 45.2 8.6 9.4 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.825 125.5 32.5 -69.2 -34.1 42.7 11.1 8.0 11 11 A E H < S- 0 0 42 -4,-3.0 19,-0.4 1,-0.2 -1,-0.2 0.695 92.6-153.2 -98.0 -22.8 42.3 13.2 11.1 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.199 23.5 -87.0 72.7-174.3 45.8 13.0 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 45.5 165.5-137.7 117.9 46.5 13.5 16.4 14 14 A R E -A 28 0A 149 14,-1.8 14,-2.3 -2,-0.4 4,-0.1 -0.998 21.6-161.4-134.1 129.8 47.0 16.8 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.451 73.8 62.8 -94.0 -2.6 46.9 17.3 21.9 16 16 A K E S-C 57 0B 147 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.924 101.5 -83.9-120.3 150.5 46.5 21.1 21.8 17 17 A I E + 0 0 33 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.240 58.7 166.8 -53.6 129.2 43.5 23.1 20.4 18 18 A Y E -A 26 0A 29 8,-2.8 8,-3.0 -4,-0.1 2,-0.5 -0.879 38.3-100.7-136.5 169.4 44.0 23.6 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.845 34.9-138.2 -96.9 130.7 41.9 24.8 13.7 20 20 A D > - 0 0 43 4,-3.0 3,-1.9 -2,-0.5 -1,-0.1 -0.000 42.7 -77.6 -72.4-173.9 40.5 22.1 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.703 134.4 49.8 -62.7 -20.9 40.3 22.4 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.387 123.8-102.2 -96.5 -0.0 37.3 24.7 7.8 23 23 A G S < S+ 0 0 39 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.591 76.2 140.4 89.4 15.4 39.0 27.0 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.731 60.9-100.4 -99.8 139.9 37.1 25.5 13.4 25 25 A Y E +A 19 0A 37 9,-0.5 8,-2.6 11,-0.4 9,-1.2 -0.303 54.9 161.9 -59.7 130.7 38.5 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.916 19.3-167.6-147.7 159.2 39.3 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.6 -2,-0.3 -12,-0.2 -0.971 51.9 1.1-148.8 163.4 41.4 18.9 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.3 -14,-1.8 -2,-0.3 2,-1.0 -0.350 124.3 -4.9 68.3-128.8 42.6 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.684 128.9 -54.4-103.4 74.3 41.7 13.1 16.6 30 30 A G T 4 S+ 0 0 12 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.840 81.2 164.9 58.1 38.8 39.4 15.5 14.7 31 31 A H E < -B 27 0A 30 -4,-2.6 -4,-1.7 -20,-0.1 -1,-0.2 -0.763 32.0-141.4 -84.9 100.3 37.2 16.2 17.7 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.434 20.5-176.1 -60.9 126.2 35.3 19.4 16.7 33 33 A L - 0 0 11 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.880 57.7 -32.6 -91.2 -47.0 34.9 21.7 19.7 34 34 A T - 0 0 31 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.969 35.0-131.7-170.0 154.7 32.8 24.5 18.3 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.483 76.3 112.0 -91.7 -4.9 32.2 26.6 15.1 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.405 70.9-136.3 -68.7 139.8 32.5 29.8 17.2 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.491 75.7 106.1 -74.5 -0.9 35.5 32.0 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.712 56.8-161.0 -84.3 117.0 36.0 32.4 20.3 39 39 A L H > S+ 0 0 72 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.876 95.0 56.0 -59.7 -39.2 39.0 30.5 21.7 40 40 A N H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 104.3 52.2 -60.5 -40.3 37.4 30.8 25.2 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 110.6 49.0 -60.6 -41.7 34.2 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.897 109.0 51.3 -64.8 -43.1 36.3 26.3 22.5 43 43 A K H X S+ 0 0 50 -4,-2.5 4,-2.6 2,-0.2 11,-0.3 0.881 109.5 51.7 -62.5 -38.3 38.2 25.9 25.8 44 44 A S H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 109.6 48.3 -62.4 -49.1 34.9 25.7 27.6 45 45 A E H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.887 111.7 51.9 -56.7 -41.4 33.6 23.0 25.2 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.952 109.1 47.8 -60.8 -52.7 36.9 21.1 25.8 47 47 A D H X>S+ 0 0 40 -4,-2.6 4,-2.8 1,-0.2 5,-1.0 0.892 112.2 50.8 -53.5 -44.5 36.6 21.2 29.6 48 48 A K H <5S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.9 47.6 -61.1 -42.5 33.0 20.0 29.3 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 120.6 35.4 -66.7 -41.6 34.0 17.1 27.1 50 50 A I H <5S- 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.768 102.7-126.0 -87.8 -31.5 37.0 15.9 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.707 77.4 72.7 90.5 23.8 35.4 16.7 32.7 52 52 A R S - 0 0 14 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.733 33.7-145.7 -92.5 -27.2 42.2 21.6 30.7 55 55 A N T 3 S- 0 0 105 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.924 74.6 -51.3 45.5 50.9 43.2 25.1 29.4 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.463 117.5 98.0 80.7 3.7 43.4 23.8 25.9 57 57 A V B < +C 16 0B 69 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.990 42.9 175.0-129.5 133.8 45.7 20.8 26.4 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.871 28.5-108.5-129.6 165.1 44.8 17.1 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.415 32.7-109.0 -84.8 165.2 46.6 13.7 27.0 60 60 A K H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 121.3 53.5 -58.3 -42.6 46.8 11.0 24.3 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 110.1 46.6 -59.0 -46.0 44.5 8.8 26.5 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 111.1 52.0 -63.6 -43.0 42.0 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.916 111.3 47.5 -56.7 -45.4 42.2 12.2 23.0 64 64 A E H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.841 108.2 55.7 -66.6 -34.5 41.6 8.5 22.4 65 65 A K H X S+ 0 0 137 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.970 110.5 43.7 -61.1 -54.2 38.6 8.5 24.8 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.894 112.0 55.5 -55.6 -42.9 36.9 11.3 22.9 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.932 106.7 48.2 -58.3 -50.6 37.7 9.6 19.6 68 68 A N H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.896 113.2 49.4 -55.6 -42.9 36.0 6.3 20.6 69 69 A Q H X S+ 0 0 95 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.894 111.1 49.2 -63.7 -41.8 33.0 8.3 21.7 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.883 111.3 47.8 -67.4 -42.9 32.9 10.2 18.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.934 113.4 49.5 -60.9 -48.1 33.1 7.1 16.3 72 72 A D H X S+ 0 0 82 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.926 111.3 48.7 -55.0 -50.2 30.4 5.5 18.4 73 73 A A H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.869 109.6 52.8 -60.3 -41.5 28.2 8.6 18.1 74 74 A A H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.943 112.8 43.4 -59.4 -50.8 28.7 8.6 14.3 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.950 114.5 49.7 -59.9 -49.8 27.7 5.0 13.9 76 76 A R H X S+ 0 0 127 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.870 109.7 52.9 -57.6 -40.2 24.7 5.4 16.3 77 77 A G H X S+ 0 0 11 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.886 106.7 51.5 -62.0 -43.9 23.6 8.5 14.3 78 78 A I H >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.2 7,-0.5 0.935 110.3 49.2 -55.8 -49.3 23.6 6.6 11.0 79 79 A L H 3< S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.764 110.2 50.7 -67.5 -25.6 21.5 3.8 12.5 80 80 A R H 3< S+ 0 0 181 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.497 92.3 90.2 -88.0 -6.6 18.9 6.3 13.9 81 81 A N S+ 0 0 165 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.877 119.1 39.4 -79.3 -42.5 17.6 7.6 5.2 84 84 A L H > S+ 0 0 18 -6,-0.2 4,-2.6 1,-0.2 3,-0.4 0.876 102.0 69.0 -78.8 -39.8 21.1 6.5 6.1 85 85 A K H X S+ 0 0 88 -4,-2.9 4,-2.9 -7,-0.5 5,-0.2 0.869 98.3 48.4 -50.9 -50.3 20.4 3.2 7.9 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.881 113.4 47.9 -62.7 -36.8 19.2 1.2 4.9 87 87 A V H X S+ 0 0 14 -4,-0.6 4,-0.7 -3,-0.4 -2,-0.2 0.941 113.7 47.9 -66.9 -45.3 22.2 2.2 2.8 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.924 110.5 50.7 -57.7 -49.6 24.5 1.4 5.7 89 89 A D H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 105.6 58.2 -58.8 -33.3 22.9 -2.0 6.3 90 90 A S H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.687 95.3 86.1 -70.7 -20.5 23.3 -2.8 2.5 91 91 A L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.7 31,-0.0 -0.450 78.0-117.4 -87.2 153.5 27.1 -2.3 2.7 92 92 A D > - 0 0 54 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.343 43.2 -96.2 -71.0 167.8 29.9 -4.7 3.5 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.808 121.5 53.6 -62.6 -36.3 32.1 -3.8 6.5 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.964 113.1 42.6 -64.4 -50.8 34.9 -2.1 4.6 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.817 107.1 62.2 -65.9 -32.1 32.5 0.3 2.8 96 96 A R H X S+ 0 0 78 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.877 101.4 53.1 -57.0 -40.4 30.6 0.8 6.1 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.8 -3,-0.4 -2,-0.2 0.917 105.6 52.8 -61.2 -42.8 33.9 2.3 7.5 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.894 109.3 50.5 -58.8 -39.4 33.9 4.7 4.5 99 99 A A H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.913 110.6 47.5 -62.8 -46.9 30.4 5.7 5.5 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.897 108.1 57.8 -62.1 -40.7 31.4 6.3 9.1 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.935 108.3 44.8 -53.9 -52.2 34.4 8.3 7.9 102 102 A M H X S+ 0 0 10 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.917 113.9 48.7 -59.9 -47.5 32.2 10.7 5.9 103 103 A V H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.905 109.3 54.2 -59.9 -44.2 29.6 11.1 8.8 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.923 117.6 36.0 -51.7 -48.9 32.5 11.8 11.2 105 105 A Q H < S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.880 133.8 22.1 -74.8 -40.7 33.9 14.6 8.9 106 106 A M H X S- 0 0 41 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.628 93.8-133.6-104.8 -25.3 30.6 16.1 7.7 107 107 A G H >X - 0 0 29 -4,-2.7 4,-1.5 -5,-0.4 3,-0.6 0.025 44.2 -71.3 74.8 165.8 27.9 15.2 10.2 108 108 A E H 3> S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.847 136.8 58.3 -59.3 -34.4 24.5 13.8 9.0 109 109 A T H 34 S+ 0 0 126 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.816 104.3 51.5 -65.1 -32.5 23.6 17.3 7.7 110 110 A G H X< S+ 0 0 23 -4,-0.7 3,-0.7 -3,-0.6 -1,-0.2 0.868 109.5 49.8 -67.4 -38.0 26.8 17.2 5.5 111 111 A V H >< S+ 0 0 10 -4,-1.5 3,-2.3 1,-0.2 -2,-0.2 0.660 88.1 86.9 -77.1 -17.7 25.6 13.8 4.1 112 112 A A G >< S+ 0 0 65 -4,-1.1 3,-0.7 1,-0.3 -1,-0.2 0.823 85.8 53.1 -51.6 -38.5 22.1 15.2 3.4 113 113 A G G < S+ 0 0 73 -3,-0.7 3,-0.4 -4,-0.4 -1,-0.3 0.499 92.1 78.1 -76.4 -2.5 23.2 16.5 -0.0 114 114 A F G <> + 0 0 22 -3,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.109 52.6 123.2 -97.3 23.5 24.6 13.0 -1.0 115 115 A T H <> S+ 0 0 68 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.865 76.0 46.2 -49.5 -47.7 21.1 11.4 -1.8 116 116 A N H > S+ 0 0 88 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.871 112.7 49.6 -69.8 -38.3 22.1 10.4 -5.3 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 110.3 52.0 -60.0 -46.3 25.5 9.0 -4.2 118 118 A L H X S+ 0 0 28 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.884 107.4 51.8 -61.5 -41.8 23.7 7.0 -1.5 119 119 A R H X S+ 0 0 124 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.937 110.8 47.8 -58.4 -48.3 21.2 5.5 -4.0 120 120 A M H <>S+ 0 0 43 -4,-2.0 5,-2.5 1,-0.2 4,-0.5 0.853 109.6 53.5 -63.7 -37.1 24.1 4.4 -6.2 121 121 A L H ><5S+ 0 0 4 -4,-2.3 3,-0.8 2,-0.2 -1,-0.2 0.905 108.8 48.4 -61.8 -44.6 25.9 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 111.2 50.8 -63.8 -34.5 22.8 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.568 111.2-127.0 -75.1 -11.8 22.5 -0.3 -6.0 124 124 A K T < 5 + 0 0 96 -3,-0.8 2,-1.4 -4,-0.5 -3,-0.2 0.810 58.1 149.4 63.2 35.1 26.2 -1.3 -5.8 125 125 A R >< + 0 0 122 -5,-2.5 4,-3.2 1,-0.2 5,-0.2 -0.650 20.8 175.5 -92.2 76.8 27.1 0.8 -8.9 126 126 A W H > + 0 0 52 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.852 69.4 44.2 -62.6 -45.2 30.6 1.4 -7.5 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 117.2 46.5 -65.4 -44.0 32.2 3.3 -10.3 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.906 112.4 50.3 -63.6 -44.6 29.1 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.2 4,-2.8 -9,-0.2 -2,-0.2 0.925 110.0 51.6 -55.9 -45.9 28.8 6.1 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.897 110.2 47.5 -61.3 -44.3 32.6 7.1 -7.1 131 131 A V H X S+ 0 0 86 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.934 114.4 47.6 -59.8 -47.6 32.1 9.6 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.881 106.1 57.2 -63.1 -41.1 29.0 11.1 -8.2 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.824 102.2 56.1 -59.6 -34.9 30.8 11.4 -4.8 134 134 A A H 3< S+ 0 0 28 -4,-1.3 2,-1.8 -3,-0.3 -1,-0.3 0.647 85.6 83.7 -74.1 -16.0 33.6 13.5 -6.3 135 135 A K S << S+ 0 0 159 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.488 80.8 96.8 -85.4 67.1 31.0 16.0 -7.6 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.993 85.8-117.8-155.0 151.7 30.9 17.8 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.917 116.2 61.9 -53.6 -44.0 32.2 20.6 -2.1 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.901 105.7 42.5 -49.6 -53.3 33.6 17.8 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.938 115.6 49.7 -61.2 -48.8 35.9 16.5 -2.7 140 140 A N H < S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.3 40.7 -60.7 -38.4 37.0 19.9 -3.8 141 141 A Q H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 133.1 21.2 -82.1 -37.1 37.9 21.1 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.568 73.8 158.4-128.2 70.2 39.6 17.9 0.9 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.870 70.7 51.4 -66.7 -39.6 40.5 16.0 -2.3 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.922 116.4 40.6 -65.3 -44.2 43.2 13.8 -0.9 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 115.7 50.8 -65.6 -46.3 41.0 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.898 107.2 54.9 -58.8 -41.6 38.0 12.3 -0.4 147 147 A K H X S+ 0 0 100 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.894 109.2 47.3 -59.9 -42.8 40.0 10.3 -2.9 148 148 A R H X S+ 0 0 57 -4,-1.6 4,-1.9 2,-0.2 12,-0.2 0.940 115.1 45.3 -61.1 -49.0 40.9 7.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 114.2 49.1 -62.4 -44.3 37.3 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.898 108.8 52.2 -63.6 -43.8 36.0 7.2 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.6 -5,-0.2 6,-0.4 0.886 107.7 53.6 -58.5 -39.0 38.5 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.935 112.7 43.2 -61.8 -46.0 37.3 2.6 -0.4 153 153 A F H < S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 115.6 49.5 -63.8 -39.1 33.7 2.8 -1.7 154 154 A R H < S+ 0 0 104 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.912 126.2 21.9 -68.8 -42.8 34.7 2.0 -5.2 155 155 A T H < S- 0 0 41 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.689 85.8-133.8-101.0 -26.6 36.8 -1.1 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.763 73.7 108.7 67.0 25.6 35.6 -2.4 -1.0 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.796 79.3-123.9-122.6 168.9 39.4 -2.7 -0.1 158 158 A W S >> S+ 0 0 35 -2,-0.3 3,-2.3 1,-0.2 4,-2.0 0.116 71.1 122.5 -94.2 18.2 41.8 -0.8 2.2 159 159 A D H 3> + 0 0 99 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.810 68.5 56.2 -53.2 -35.9 44.2 -0.1 -0.8 160 160 A A H 34 S+ 0 0 23 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.622 119.6 31.6 -72.1 -12.4 44.0 3.7 -0.3 161 161 A Y H X4 S+ 0 0 0 -3,-2.3 3,-1.9 -13,-0.1 -2,-0.2 0.571 93.7 86.6-118.5 -19.6 45.2 3.3 3.4 162 162 A K H 3< S+ 0 0 135 -4,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.818 92.6 49.3 -54.9 -36.4 47.5 0.2 3.4 163 163 A N T 3< 0 0 151 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.416 360.0 360.0 -84.5 -0.4 50.5 2.3 2.4 164 164 A L < 0 0 127 -3,-1.9 -1,-0.2 0, 0.0 -2,-0.2 0.409 360.0 360.0-116.5 360.0 50.0 4.9 5.1