==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAY-02 1LW9 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.M.MOOERS,R.D.BUSAM,L.H.WEAVER, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 2 0 1 2 1 0 0 1 1 1 0 0 0 0 0 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 59 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.4 43.2 -1.7 8.7 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.921 360.0 -82.4-156.7 174.0 39.9 -0.8 10.5 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.830 126.4 49.8 -53.7 -41.1 37.8 2.3 11.0 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.952 114.2 44.4 -66.1 -46.6 39.8 3.6 13.9 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.879 114.5 51.4 -61.8 -37.2 43.1 3.2 12.0 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.930 113.0 42.2 -64.7 -51.7 41.5 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.833 109.4 59.3 -67.6 -32.6 40.3 7.7 10.8 8 8 A R H X S+ 0 0 105 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.859 108.5 46.4 -61.9 -36.8 43.5 8.1 12.7 9 9 A I H < S+ 0 0 52 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.945 116.4 43.7 -68.4 -47.8 45.3 8.4 9.4 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.768 123.2 34.0 -68.8 -29.9 42.8 10.9 8.0 11 11 A E H < S- 0 0 39 -4,-2.5 19,-0.5 1,-0.1 -1,-0.2 0.639 91.8-151.2-104.6 -14.9 42.5 13.1 11.1 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.178 23.4 -91.7 72.4-175.3 46.0 13.0 12.7 13 13 A L + 0 0 48 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.952 44.0 168.7-142.7 120.4 46.6 13.3 16.4 14 14 A R E -A 28 0A 141 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.999 21.3-159.6-136.3 131.2 47.3 16.7 18.1 15 15 A L E S+ 0 0 59 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.498 74.3 61.9 -89.8 -5.8 47.3 17.2 21.8 16 16 A K E S-C 57 0B 132 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.889 100.9 -88.8-120.0 149.3 46.8 21.0 21.8 17 17 A I E + 0 0 29 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.293 58.4 165.9 -54.0 135.8 43.8 22.8 20.5 18 18 A Y E -A 26 0A 29 8,-2.9 8,-3.3 6,-0.1 2,-0.5 -0.887 39.0 -95.6-145.5 173.7 44.4 23.6 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.840 36.1-140.5 -98.8 132.4 42.3 24.8 13.8 20 20 A D > - 0 0 46 4,-2.8 3,-2.1 -2,-0.5 -1,-0.1 0.023 42.1 -77.1 -77.2-170.4 40.9 22.1 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 135.2 49.5 -61.1 -27.8 40.7 22.4 7.6 22 22 A E T 3 S- 0 0 88 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.320 122.8-105.1 -90.2 0.7 37.7 24.6 7.9 23 23 A G S < S+ 0 0 36 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.566 75.5 138.3 87.7 8.9 39.4 26.9 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.680 61.5-102.4 -96.0 142.1 37.4 25.4 13.5 25 25 A Y E +A 19 0A 35 11,-0.5 8,-3.1 9,-0.5 9,-1.3 -0.341 54.4 156.7 -61.3 134.5 39.0 24.7 16.8 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-2.9 6,-0.3 2,-0.3 -0.910 19.8-167.0-146.9 169.2 39.6 21.0 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 2,-0.2 -0.978 51.7 8.6-156.5 166.3 41.8 18.7 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-1.0 -0.440 122.2 -6.4 68.6-129.8 42.9 15.1 19.5 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.746 128.2 -52.2-104.3 76.2 41.9 12.9 16.6 30 30 A G T 4 S+ 0 0 12 -2,-1.0 2,-1.1 -19,-0.5 -2,-0.2 0.800 83.3 163.5 64.8 28.7 39.7 15.2 14.7 31 31 A H E < -B 27 0A 31 -4,-2.4 -4,-1.7 -20,-0.1 -1,-0.2 -0.689 30.3-146.1 -85.5 103.1 37.5 16.1 17.8 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.472 17.3-175.4 -63.6 131.5 35.7 19.2 16.7 33 33 A L - 0 0 13 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.882 57.7 -36.3 -95.5 -44.5 35.2 21.5 19.7 34 34 A T - 0 0 30 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.964 35.2-127.3-172.1 158.4 33.1 24.3 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.415 74.6 119.5 -94.2 -1.7 32.6 26.4 15.2 36 36 A S - 0 0 38 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.302 67.3-138.1 -64.5 145.0 32.9 29.5 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.556 78.0 101.0 -81.4 -4.7 35.7 31.9 16.6 38 38 A S > - 0 0 53 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.701 56.4-164.6 -91.1 117.7 36.3 32.1 20.3 39 39 A L H > S+ 0 0 61 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.837 94.9 56.6 -63.9 -31.7 39.2 30.2 21.7 40 40 A N H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 105.2 50.7 -66.8 -39.1 37.8 30.6 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 109.9 50.4 -60.8 -43.0 34.7 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.907 109.4 51.4 -62.5 -39.9 36.6 26.2 22.5 43 43 A K H X S+ 0 0 45 -4,-2.5 4,-2.8 1,-0.2 11,-0.3 0.900 108.0 51.7 -62.8 -40.6 38.5 25.8 25.8 44 44 A S H X S+ 0 0 74 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.912 109.9 48.3 -63.1 -43.9 35.2 25.7 27.7 45 45 A E H X S+ 0 0 66 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.936 111.5 53.0 -63.0 -38.7 33.9 22.9 25.4 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.948 108.0 48.1 -62.6 -44.5 37.1 21.1 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.8 4,-2.3 1,-0.2 5,-1.4 0.908 113.7 47.9 -62.3 -38.4 37.0 21.2 29.6 48 48 A K H <5S+ 0 0 144 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.871 111.2 50.5 -67.1 -40.6 33.4 20.0 29.5 49 49 A A H <5S+ 0 0 42 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.893 120.6 34.0 -64.2 -41.1 34.2 17.2 27.1 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.668 103.7-125.1 -87.0 -26.7 37.1 15.9 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.796 76.5 76.6 86.2 25.1 35.7 16.7 32.7 52 52 A R S - 0 0 13 -2,-1.1 3,-1.1 -11,-0.3 -1,-0.2 0.686 35.1-145.8 -98.9 -24.2 42.6 21.7 30.9 55 55 A N T 3 S- 0 0 116 1,-0.2 -12,-0.1 -12,-0.1 -2,-0.1 0.830 76.0 -48.8 60.9 33.9 43.5 25.1 29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.515 115.0 93.9 92.4 -4.0 43.9 23.7 25.9 57 57 A V B < +C 16 0B 61 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.995 42.7 175.2-130.3 137.8 46.1 20.6 26.3 58 58 A I - 0 0 4 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.823 28.5-107.4-130.6 171.4 45.1 16.9 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.422 32.9-107.1 -92.3 170.2 46.9 13.6 27.0 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.915 121.5 53.1 -62.6 -42.1 47.0 10.8 24.4 61 61 A D H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 109.7 48.6 -58.0 -45.8 44.7 8.7 26.5 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.942 110.2 51.7 -59.9 -44.5 42.2 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -34,-0.4 0.916 110.7 48.4 -55.7 -44.7 42.4 12.1 22.9 64 64 A E H X S+ 0 0 74 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.855 106.4 57.8 -67.9 -31.9 41.7 8.4 22.4 65 65 A K H X S+ 0 0 132 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.966 108.9 43.4 -64.7 -47.0 38.8 8.6 24.8 66 66 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.882 112.8 54.6 -61.9 -35.4 37.1 11.3 22.8 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-3.2 -5,-0.2 5,-0.3 0.956 106.4 50.0 -62.9 -48.7 37.9 9.4 19.5 68 68 A N H X S+ 0 0 88 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.946 113.9 46.6 -53.3 -49.0 36.3 6.3 20.8 69 69 A Q H X S+ 0 0 92 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.881 112.9 49.9 -60.8 -36.9 33.2 8.3 21.7 70 70 A D H X S+ 0 0 34 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.885 110.3 47.9 -71.5 -39.0 33.3 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.942 113.7 48.7 -65.3 -45.6 33.5 6.9 16.3 72 72 A D H X S+ 0 0 90 -4,-2.7 4,-3.3 -5,-0.3 5,-0.3 0.948 110.1 51.3 -58.7 -42.6 30.7 5.4 18.4 73 73 A A H X S+ 0 0 40 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.878 106.9 53.9 -63.8 -34.3 28.6 8.5 17.9 74 74 A A H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.955 111.8 45.1 -63.5 -46.6 29.2 8.4 14.1 75 75 A V H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.963 113.3 49.2 -60.1 -51.6 27.9 4.8 14.0 76 76 A R H X S+ 0 0 119 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.916 109.3 53.5 -57.7 -37.9 25.0 5.6 16.2 77 77 A G H X S+ 0 0 1 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.928 109.1 48.1 -63.2 -41.3 24.1 8.5 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 7,-0.4 0.960 112.0 49.4 -62.0 -46.8 24.1 6.3 10.9 79 79 A L H 3< S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 112.0 49.3 -64.3 -27.6 21.9 3.7 12.6 80 80 A R H 3< S+ 0 0 166 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 0.531 93.7 90.1 -86.1 -15.2 19.5 6.4 13.8 81 81 A N S+ 0 0 104 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.806 118.3 41.9 -89.9 -38.1 18.5 7.7 5.0 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-3.1 1,-0.1 5,-0.3 0.874 101.5 65.0 -77.5 -40.9 21.8 6.3 6.2 85 85 A K H X S+ 0 0 83 -4,-2.5 4,-3.5 -7,-0.4 5,-0.3 0.923 100.0 48.8 -51.5 -52.4 20.8 3.1 7.8 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.896 113.6 49.5 -60.3 -35.4 19.6 1.2 4.8 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.9 2,-0.2 3,-0.5 0.980 112.4 45.7 -66.4 -52.5 22.7 2.2 3.0 88 88 A Y H >< S+ 0 0 36 -4,-3.1 3,-1.2 1,-0.3 -1,-0.2 0.938 111.3 53.5 -55.0 -46.2 25.0 1.1 5.7 89 89 A D H 3< S+ 0 0 72 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.2 0.830 106.2 53.4 -61.2 -30.8 23.1 -2.1 6.2 90 90 A S H 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.651 97.1 90.1 -78.1 -14.6 23.5 -2.9 2.5 91 91 A L S << S- 0 0 5 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.529 74.9-119.9 -88.8 156.6 27.3 -2.5 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.194 45.5 -92.9 -76.0 172.4 30.2 -4.8 3.2 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.867 121.2 50.0 -61.4 -40.1 32.5 -4.0 6.1 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.955 114.1 45.8 -66.2 -46.6 35.1 -2.0 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.870 106.6 58.4 -65.5 -33.9 32.5 0.2 2.6 96 96 A R H X S+ 0 0 80 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.933 103.7 53.3 -58.3 -42.4 30.7 0.6 5.9 97 97 A A H X S+ 0 0 6 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.910 105.3 55.4 -59.6 -41.0 34.0 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.919 109.2 46.4 -60.5 -39.0 34.0 4.6 4.4 99 99 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.919 109.9 52.2 -69.3 -37.6 30.6 5.8 5.3 100 100 A I H X S+ 0 0 8 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.941 108.5 54.3 -59.0 -43.3 31.5 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.936 107.8 47.4 -55.2 -51.7 34.4 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.916 112.5 49.5 -59.6 -42.5 32.3 10.5 6.0 103 103 A V H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.926 108.7 53.1 -64.6 -38.9 29.8 10.9 8.9 104 104 A F H < S+ 0 0 31 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.958 115.6 40.8 -59.4 -44.4 32.6 11.5 11.3 105 105 A Q H < S+ 0 0 51 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.936 133.6 17.2 -69.8 -45.0 34.0 14.3 9.1 106 106 A M H < S- 0 0 54 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.444 104.3-113.0-110.1 -6.6 30.7 15.9 8.0 107 107 A G X - 0 0 32 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.193 33.9 -78.9 85.6 154.2 28.0 14.8 10.5 108 108 A E H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 127.4 49.8 -53.9 -54.6 25.0 12.6 10.0 109 109 A T H > S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.898 109.0 53.4 -56.9 -40.5 22.9 15.3 8.5 110 110 A G H >4 S+ 0 0 30 -4,-0.4 3,-1.1 1,-0.2 4,-0.3 0.974 112.8 40.3 -61.1 -53.5 25.5 16.3 6.0 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.892 106.4 65.6 -64.2 -35.6 26.1 12.8 4.6 112 112 A A H 3< S+ 0 0 4 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.784 95.6 61.1 -57.2 -25.9 22.3 12.1 4.7 113 113 A G T << S+ 0 0 52 -3,-1.1 2,-2.5 -4,-1.0 3,-0.3 0.562 72.7 94.1 -81.4 -6.7 22.0 14.8 2.1 114 114 A F <> + 0 0 45 -3,-2.2 4,-2.9 -4,-0.3 5,-0.3 -0.249 53.8 162.9 -79.9 59.7 24.1 13.1 -0.5 115 115 A T H > + 0 0 93 -2,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.853 66.4 42.5 -44.0 -53.8 20.9 11.6 -2.0 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.899 115.5 47.5 -66.7 -44.0 22.1 10.5 -5.4 117 117 A S H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.941 110.9 53.8 -64.0 -40.3 25.4 9.1 -4.2 118 118 A L H X S+ 0 0 11 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.914 108.2 49.8 -56.3 -44.8 23.6 7.2 -1.5 119 119 A R H X S+ 0 0 105 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.954 110.1 49.6 -60.4 -47.8 21.3 5.7 -4.0 120 120 A M H <>S+ 0 0 21 -4,-2.4 5,-2.6 1,-0.2 4,-0.4 0.872 110.5 51.6 -61.1 -38.0 24.2 4.6 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.918 108.4 49.0 -64.4 -43.6 25.9 3.0 -3.3 122 122 A Q H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 110.8 52.9 -61.8 -35.0 22.8 1.1 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.545 110.9-123.9 -77.1 -7.0 22.6 -0.0 -5.9 124 124 A K T < 5 + 0 0 99 -3,-1.2 2,-1.2 -4,-0.4 -3,-0.2 0.835 61.8 146.8 65.7 33.1 26.1 -1.2 -5.8 125 125 A R >< + 0 0 123 -5,-2.6 4,-2.8 1,-0.2 5,-0.2 -0.705 21.5 173.9-100.1 74.8 27.0 1.0 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.861 68.6 43.9 -54.0 -52.8 30.6 1.6 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 116.3 47.8 -65.0 -41.3 32.2 3.5 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 110.4 51.5 -66.2 -38.8 29.2 5.7 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.928 108.1 53.8 -59.1 -44.1 28.9 6.4 -7.0 130 130 A A H X S+ 0 0 9 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.892 108.4 47.4 -59.0 -43.1 32.5 7.4 -7.0 131 131 A V H < S+ 0 0 89 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.902 113.9 49.4 -66.6 -38.2 32.1 9.9 -9.8 132 132 A N H >< S+ 0 0 40 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.905 105.0 56.3 -66.6 -40.5 29.1 11.3 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.826 100.3 60.0 -59.1 -34.7 30.7 11.6 -4.8 134 134 A A T 3< S+ 0 0 29 -4,-1.2 2,-1.9 -3,-0.2 -1,-0.3 0.634 82.5 83.2 -71.7 -13.1 33.5 13.8 -6.2 135 135 A K S < S+ 0 0 159 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.475 79.8 100.7 -88.4 66.3 31.0 16.4 -7.4 136 136 A S S > S- 0 0 14 -2,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.989 84.2-119.0-150.6 157.1 31.0 18.0 -3.9 137 137 A R H > S+ 0 0 178 -2,-0.3 4,-3.0 1,-0.2 5,-0.4 0.927 116.0 60.3 -57.5 -40.2 32.2 20.8 -1.8 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.929 106.5 43.0 -50.1 -52.6 33.7 18.0 0.3 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.934 114.1 51.8 -61.9 -46.4 35.9 16.6 -2.4 140 140 A N H < S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.6 39.6 -58.1 -43.6 36.9 20.2 -3.6 141 141 A Q H < S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 132.6 22.6 -78.3 -34.5 38.0 21.3 -0.1 142 142 A T S X S+ 0 0 17 -4,-2.5 4,-2.4 -5,-0.4 -1,-0.2 -0.576 73.8 159.3-130.8 73.5 39.7 18.0 1.1 143 143 A P H > + 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.878 69.8 50.1 -67.3 -39.5 40.5 16.3 -2.2 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.923 116.7 41.2 -66.9 -41.7 43.2 13.9 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 115.4 50.9 -67.4 -44.9 41.1 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.3 5,-0.2 0.929 107.6 54.5 -57.7 -45.1 38.0 12.5 -0.2 147 147 A K H X S+ 0 0 88 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.3 0.885 107.3 50.7 -58.2 -36.7 39.9 10.5 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.945 113.2 44.2 -63.9 -47.4 40.9 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 113.5 50.2 -64.9 -42.7 37.4 7.5 1.0 150 150 A I H X S+ 0 0 15 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.909 108.0 53.6 -62.4 -42.6 36.0 7.4 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.9 4,-2.9 1,-0.2 6,-0.4 0.852 106.6 54.1 -56.8 -37.4 38.5 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.931 111.4 42.9 -63.6 -45.5 37.4 2.7 -0.6 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.0 52.7 -69.5 -34.2 33.8 2.9 -1.7 154 154 A R H < S+ 0 0 103 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.942 125.2 20.4 -61.6 -51.0 34.9 2.2 -5.3 155 155 A T H < S- 0 0 39 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.670 85.1-134.7 -94.5 -29.0 36.9 -0.8 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.7 2,-0.3 -5,-0.4 -62,-0.2 0.732 75.0 104.8 73.5 20.3 35.7 -2.2 -1.3 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.820 80.1-122.0-125.3 172.6 39.4 -2.6 -0.4 158 158 A W S >> S+ 0 0 39 -2,-0.3 3,-2.0 1,-0.2 4,-1.2 0.058 70.7 123.8 -98.2 20.6 41.8 -0.6 1.9 159 159 A D T 34 + 0 0 111 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.828 67.5 57.4 -54.2 -34.1 44.2 0.1 -1.0 160 160 A A T 34 S+ 0 0 23 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.670 114.8 37.5 -70.4 -17.5 44.0 3.9 -0.5 161 161 A Y T X4 S+ 0 0 3 -3,-2.0 3,-1.0 -13,-0.1 -1,-0.2 0.505 93.5 106.3-112.6 -5.0 45.2 3.5 3.1 162 162 A K T 3< S+ 0 0 86 -4,-1.2 -3,-0.0 -3,-0.3 0, 0.0 -0.481 84.0 18.0 -76.0 141.5 47.6 0.8 2.5 163 163 A N T 3 0 0 171 -2,-0.2 -1,-0.2 1,-0.2 -4,-0.0 0.729 360.0 360.0 69.2 26.5 51.2 1.8 2.6 164 164 A L < 0 0 124 -3,-1.0 -1,-0.2 0, 0.0 -4,-0.0 -0.795 360.0 360.0-107.0 360.0 50.5 5.1 4.5