==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 28-MAY-93 118L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 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 . 8 4.9 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 . 85 52.5 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 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 A M 0 0 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.3 43.4 -1.8 9.2 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.897 360.0 -82.3-151.3 176.5 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.850 125.5 50.9 -55.5 -39.0 38.0 2.3 11.3 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 113.3 43.7 -66.5 -48.4 40.2 3.6 14.2 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.896 113.8 52.7 -63.0 -40.4 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.2 0.961 112.6 42.6 -59.6 -54.3 41.8 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.837 108.8 59.4 -63.3 -31.7 40.5 7.8 11.0 8 8 A R H X S+ 0 0 101 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.910 108.4 46.0 -65.3 -33.6 43.8 8.2 12.9 9 9 A I H < S+ 0 0 85 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.932 116.4 44.5 -72.3 -44.5 45.6 8.6 9.5 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.842 125.1 30.3 -70.6 -33.0 43.0 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.716 90.6-153.3-100.6 -24.3 42.7 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.173 26.1 -89.1 75.7-171.1 46.2 13.0 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.974 42.3 172.7-141.9 126.5 46.6 13.6 16.5 14 14 A R E -A 28 0A 140 14,-1.4 14,-2.3 -2,-0.4 4,-0.1 -0.999 19.1-162.1-136.8 132.7 47.2 17.0 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.435 74.7 63.6 -96.0 -3.0 47.2 17.6 21.9 16 16 A K E S-C 57 0B 141 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.919 101.1 -87.8-120.2 145.9 46.7 21.3 21.9 17 17 A I E + 0 0 30 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.252 59.2 169.8 -48.6 134.8 43.6 23.2 20.5 18 18 A Y E -A 26 0A 27 8,-2.8 8,-2.6 -4,-0.1 2,-0.5 -0.882 36.3-100.6-140.2 174.8 44.1 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.868 33.3-138.7-103.5 132.2 42.1 24.9 13.8 20 20 A D > - 0 0 48 4,-3.1 3,-1.6 -2,-0.5 -1,-0.1 -0.001 42.4 -81.0 -72.3-174.5 40.7 22.4 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.724 133.3 50.8 -65.3 -19.8 40.7 22.7 7.6 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.379 124.0-101.9 -94.3 -1.2 37.6 24.9 7.9 23 23 A G S < S+ 0 0 39 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.576 76.1 141.7 89.8 13.4 39.1 27.2 10.5 24 24 A Y - 0 0 78 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.729 59.4-103.7 -96.0 142.2 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-3.0 11,-0.4 9,-1.3 -0.400 53.8 159.9 -62.0 124.0 38.6 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.6 -8,-2.8 6,-0.3 2,-0.3 -0.867 19.1-169.0-138.9 163.7 39.5 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 -12,-0.2 -0.989 51.4 2.6-151.1 162.5 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.4 -2,-0.3 2,-0.9 -0.418 122.2 -6.5 71.6-132.2 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.677 128.0 -51.8-102.5 73.6 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.750 84.0 159.4 72.3 23.4 39.5 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.6 1,-0.0 -1,-0.2 -0.681 33.6-143.1 -85.5 103.7 37.3 16.3 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.374 18.3-176.0 -64.6 131.1 35.5 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.895 58.5 -28.8 -93.7 -48.0 35.1 21.7 19.8 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.962 35.7-135.3-164.4 155.6 33.0 24.7 18.4 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.473 75.2 111.3 -93.1 -4.9 32.3 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.420 72.8-131.9 -72.0 144.4 32.6 29.8 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.580 76.1 103.6 -72.3 -10.1 35.5 32.1 16.6 38 38 A S > - 0 0 49 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.669 56.9-159.7 -85.3 124.0 36.3 32.5 20.2 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.798 97.9 56.1 -62.8 -28.1 39.2 30.5 21.6 40 40 A N H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 102.8 51.5 -73.0 -40.0 37.6 31.0 25.0 41 41 A A H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.869 112.0 50.0 -61.2 -32.7 34.4 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.883 108.9 49.7 -71.9 -40.7 36.6 26.5 22.7 43 43 A K H X S+ 0 0 56 -4,-2.4 4,-2.2 2,-0.2 11,-0.2 0.875 110.1 52.2 -67.0 -33.5 38.5 26.1 25.9 44 44 A S H X S+ 0 0 71 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 110.6 45.9 -68.5 -41.9 35.2 26.1 27.8 45 45 A E H X S+ 0 0 66 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.892 112.0 54.8 -65.7 -39.7 33.9 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.930 108.1 45.9 -59.8 -48.2 37.1 21.5 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.2 4,-2.5 1,-0.2 5,-1.1 0.908 113.5 50.2 -61.9 -40.1 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.893 111.2 48.8 -65.4 -39.9 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 120.7 35.9 -67.7 -37.9 34.2 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.720 101.6-127.2 -88.7 -26.4 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 70 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.783 77.3 74.7 82.3 26.6 35.8 17.1 33.0 52 52 A R S - 0 0 9 -2,-0.9 3,-1.6 -11,-0.2 -1,-0.2 0.646 33.9-143.1 -98.3 -18.2 42.6 21.8 30.9 55 55 A N T 3 S- 0 0 118 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.828 75.0 -57.5 56.9 31.2 43.9 25.2 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.4 1,-0.2 2,-0.4 0.511 116.8 100.2 81.1 6.9 43.7 23.9 26.2 57 57 A V B < +C 16 0B 59 -3,-1.6 2,-0.2 -41,-0.2 -41,-0.2 -0.977 44.3 179.4-129.0 140.5 45.9 21.0 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.797 26.0-110.4-129.4 170.3 45.0 17.3 26.9 59 59 A T > - 0 0 68 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.612 33.9-105.0 -96.1 168.2 46.9 14.0 27.2 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.877 121.8 52.5 -55.2 -44.1 47.0 11.2 24.7 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.842 109.1 49.1 -59.2 -43.6 44.6 9.0 26.8 62 62 A E H > S+ 0 0 40 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.884 111.0 50.5 -64.0 -42.1 42.1 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.931 111.4 48.6 -61.2 -44.7 42.4 12.3 23.1 64 64 A E H X S+ 0 0 76 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.835 108.2 54.6 -66.6 -29.0 41.8 8.6 22.7 65 65 A K H X S+ 0 0 133 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.941 108.6 46.3 -71.0 -44.4 38.8 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 111.9 54.9 -61.8 -36.6 37.1 11.5 23.0 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.935 105.5 49.9 -64.2 -46.1 38.0 9.5 19.8 68 68 A N H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.907 112.3 48.7 -59.1 -41.6 36.3 6.4 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.909 111.0 50.1 -64.3 -41.2 33.2 8.3 21.9 70 70 A D H X S+ 0 0 35 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.859 110.7 47.3 -67.1 -38.3 33.1 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.974 114.0 48.9 -66.3 -48.2 33.5 6.8 16.5 72 72 A D H X S+ 0 0 114 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.951 112.0 49.2 -55.9 -48.3 30.8 5.2 18.6 73 73 A A H X S+ 0 0 53 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.913 109.0 52.1 -61.0 -40.7 28.6 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.953 111.6 46.7 -60.2 -47.6 29.1 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.966 113.9 47.4 -58.9 -49.2 28.1 4.5 14.1 76 76 A R H X S+ 0 0 155 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.890 109.9 54.0 -61.2 -36.6 25.0 5.1 16.3 77 77 A G H X S+ 0 0 4 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.900 109.2 48.3 -62.9 -43.0 24.1 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.3 0.940 110.8 51.1 -61.5 -45.4 24.2 6.1 11.1 79 79 A L H 3< S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.746 112.2 46.8 -67.3 -22.4 22.1 3.3 12.6 80 80 A R H 3< S+ 0 0 170 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.494 92.4 96.1 -92.6 -13.4 19.5 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.3 0.820 102.4 68.6 -90.7 -37.7 22.0 6.1 6.1 85 85 A K H X S+ 0 0 78 -4,-3.0 4,-2.8 -7,-0.3 5,-0.2 0.896 98.4 50.0 -50.6 -50.0 21.0 2.9 7.8 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.882 112.4 48.6 -61.8 -35.0 19.9 1.1 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.3 3,-0.3 0.959 112.0 47.9 -66.8 -50.6 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.930 110.7 52.6 -52.9 -47.5 25.3 0.9 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 107.6 52.6 -62.3 -32.1 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.677 96.8 87.9 -77.1 -19.2 23.9 -3.1 2.4 91 91 A L S << S- 0 0 5 -4,-1.0 2,-0.1 -3,-1.0 31,-0.0 -0.471 75.3-116.8 -86.7 158.1 27.7 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.245 45.0 -92.7 -75.6 169.1 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.868 122.3 49.6 -56.0 -42.8 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.936 112.5 45.6 -63.3 -49.6 35.5 -2.3 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 105.3 61.9 -69.1 -28.1 33.0 0.0 2.7 96 96 A R H X S+ 0 0 78 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.925 101.3 53.4 -60.6 -40.5 31.1 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.876 105.4 55.3 -61.9 -35.4 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.910 108.2 47.2 -63.0 -41.8 34.3 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.895 109.8 52.6 -68.1 -35.1 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.925 107.1 54.3 -65.0 -41.2 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.947 107.7 48.2 -57.8 -48.4 34.6 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.905 113.1 48.3 -61.3 -40.8 32.5 10.5 5.9 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 109.3 52.6 -66.2 -39.5 30.0 10.8 8.8 104 104 A F H < S+ 0 0 32 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.931 116.1 42.3 -60.0 -41.6 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.918 132.7 14.3 -72.2 -52.2 34.0 14.3 9.1 106 106 A M H X S- 0 0 57 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.424 103.7-113.7-115.2 7.1 30.9 16.0 8.0 107 107 A G H X - 0 0 32 -4,-2.3 4,-1.9 -5,-0.3 5,-0.2 0.212 35.2 -77.7 78.1 157.6 28.2 14.7 10.3 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.870 127.2 52.4 -59.7 -42.8 25.1 12.6 9.6 109 109 A T H > S+ 0 0 121 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.930 108.7 51.0 -61.1 -47.4 23.1 15.4 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.5 1,-0.2 4,-0.2 0.912 114.1 42.3 -57.7 -48.7 25.8 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.2 -1,-0.2 0.905 106.6 61.2 -67.7 -39.1 26.3 12.7 4.3 112 112 A A H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 95.2 67.0 -60.5 -20.3 22.5 12.1 4.2 113 113 A G T << S+ 0 0 56 -4,-0.9 2,-1.7 -3,-0.5 -1,-0.3 0.643 75.6 84.6 -71.9 -17.8 22.6 15.0 1.7 114 114 A F <> + 0 0 41 -3,-2.5 4,-2.7 -4,-0.2 3,-0.3 -0.242 57.4 158.8 -81.4 50.0 24.6 12.8 -0.9 115 115 A T H > + 0 0 83 -2,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.812 65.8 43.4 -40.2 -53.9 21.3 11.3 -2.1 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.876 114.4 49.0 -68.3 -39.5 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.895 109.2 54.2 -67.8 -38.7 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.882 108.4 49.4 -60.7 -39.6 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 115 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.915 111.3 48.6 -66.2 -41.4 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 22 -4,-2.1 5,-2.3 2,-0.2 4,-0.3 0.866 110.5 50.6 -67.2 -38.4 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.937 109.2 51.7 -65.3 -42.3 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.9 49.6 -62.3 -30.4 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.459 113.6-121.0 -86.2 -2.9 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 99 -3,-1.7 2,-1.2 -4,-0.3 -3,-0.2 0.752 62.5 146.4 65.8 32.8 26.7 -1.5 -5.8 125 125 A R >< + 0 0 111 -5,-2.3 4,-2.7 1,-0.2 5,-0.2 -0.716 19.7 172.7 -98.1 76.2 27.6 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.877 69.5 47.4 -56.2 -50.6 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 115.2 45.8 -61.0 -46.3 32.5 3.2 -10.4 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.879 111.5 51.4 -65.9 -40.2 29.5 5.4 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.894 107.7 54.3 -62.5 -39.9 29.3 6.2 -7.1 130 130 A S H X S+ 0 0 9 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.896 108.7 47.8 -62.4 -38.8 32.9 7.2 -7.2 131 131 A V H < S+ 0 0 89 -4,-1.9 4,-0.4 1,-0.2 3,-0.4 0.930 114.2 45.5 -67.6 -44.5 32.4 9.6 -10.0 132 132 A N H >< S+ 0 0 40 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.873 107.1 58.2 -66.4 -38.2 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.827 100.8 58.5 -60.2 -34.5 31.0 11.5 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.1 2,-1.7 -3,-0.4 -1,-0.2 0.613 86.5 79.5 -72.9 -13.7 33.9 13.6 -6.4 135 135 A K S < S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.556 80.9 96.5 -90.5 69.4 31.4 16.2 -7.6 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.996 86.2-115.5-152.8 157.8 31.2 17.8 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.900 115.6 62.8 -58.9 -39.9 32.5 20.6 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.933 105.7 43.3 -47.8 -52.8 34.0 17.8 0.1 139 139 A Y H 4 S+ 0 0 54 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.7 47.9 -65.4 -42.0 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 116.4 42.4 -72.1 -30.5 37.3 20.0 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 131.4 20.2 -83.0 -40.7 38.1 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 -0.572 73.7 162.2-128.4 72.7 39.9 18.1 1.0 143 143 A P H > + 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.833 69.9 51.9 -64.7 -36.4 40.9 16.2 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.938 115.6 40.3 -69.7 -43.3 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 115.3 52.6 -65.5 -45.7 41.3 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 -8,-0.2 5,-0.2 0.927 107.8 52.1 -55.5 -46.8 38.3 12.4 -0.3 147 147 A K H X S+ 0 0 95 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.864 108.5 51.0 -58.1 -41.3 40.3 10.4 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.925 114.8 42.0 -62.6 -45.6 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 114.7 50.8 -67.1 -46.0 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.900 109.2 50.7 -58.6 -43.3 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.5 4,-2.4 -5,-0.2 6,-0.4 0.840 107.1 55.3 -64.0 -33.3 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.909 111.2 44.2 -64.5 -41.9 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.911 115.4 49.1 -67.5 -41.5 34.2 2.7 -1.8 154 154 A R H < S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 125.1 24.7 -63.6 -44.7 35.4 1.9 -5.4 155 155 A T H < S- 0 0 42 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.686 85.1-135.4 -98.6 -24.2 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.724 74.4 102.5 70.1 20.5 36.3 -2.5 -1.3 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.831 80.2-121.7-128.1 171.6 39.9 -2.7 -0.1 158 158 A W S >> S+ 0 0 45 -2,-0.3 3,-2.2 1,-0.2 4,-0.8 0.141 70.7 122.8 -96.2 16.5 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 93 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.833 66.5 57.9 -50.5 -36.4 44.7 -0.0 -0.6 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.685 109.3 48.2 -70.6 -13.3 44.6 3.8 -0.3 161 161 A Y G <4 0 0 19 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.503 360.0 360.0-104.6 -6.7 45.6 3.5 3.3 162 162 A K << 0 0 173 -3,-0.8 -2,-0.2 -4,-0.8 -3,-0.1 0.812 360.0 360.0-104.1 360.0 48.6 1.1 2.9