==== 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) 24-MAR-95 172L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.H.WEAVER,X.-J.ZHANG,B.W.MATTHEWS . 164 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 12 7.3 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 3 0 0 0 1 1 0 0 0 0 0 0 2 0 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 93 0, 0.0 2,-0.2 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.5 -17.2 39.1 48.7 2 2 A N > - 0 0 66 156,-0.0 4,-1.2 95,-0.0 3,-0.2 -0.618 360.0 -73.5-130.4-168.3 -15.4 36.4 50.6 3 3 A a H > S+ 0 0 20 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.803 123.1 60.6 -57.6 -36.7 -15.6 32.8 51.3 4 4 A F H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 104.1 48.8 -59.8 -45.1 -18.5 33.3 53.7 5 5 A E H > S+ 0 0 68 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.821 108.5 52.2 -64.6 -35.8 -20.7 34.7 51.1 6 6 A M H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.913 116.5 40.1 -66.4 -43.8 -20.0 32.0 48.5 7 7 A L H X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-1.5 0.827 107.6 61.2 -77.1 -30.9 -20.9 29.3 51.0 8 8 A R H <5S+ 0 0 103 -4,-2.6 5,-0.4 -5,-0.2 -1,-0.2 0.881 113.5 40.2 -60.7 -34.9 -23.8 31.2 52.5 9 9 A I H <5S+ 0 0 54 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.886 121.1 39.5 -78.6 -44.2 -25.2 31.0 48.9 10 10 A D H <5S+ 0 0 20 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.810 134.9 15.7 -77.0 -34.1 -24.2 27.4 48.1 11 11 A E T <5S- 0 0 94 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.764 104.8-117.5-111.6 -36.8 -24.9 25.8 51.3 12 12 A G < - 0 0 30 -5,-1.5 2,-0.4 -4,-0.1 18,-0.3 0.190 10.5-114.2 104.3 139.0 -27.0 28.1 53.3 13 13 A L - 0 0 33 -5,-0.4 2,-0.4 16,-0.1 16,-0.2 -0.873 24.8-170.9-108.9 133.1 -26.8 30.1 56.6 14 14 A R E -A 28 0A 136 14,-1.4 14,-2.3 -2,-0.4 4,-0.1 -0.998 10.4-168.4-129.2 124.6 -29.0 29.2 59.6 15 15 A L E S+ 0 0 49 -2,-0.4 43,-3.1 12,-0.2 2,-0.3 0.560 72.6 59.2 -90.5 -12.3 -29.1 31.5 62.6 16 16 A K E S-C 57 0B 111 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.881 102.1 -89.1-116.0 143.9 -31.1 29.2 64.9 17 17 A I E + 0 0 27 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.277 54.3 176.4 -52.4 134.4 -30.0 25.6 65.9 18 18 A Y E -A 26 0A 40 8,-2.8 8,-3.0 -4,-0.1 2,-0.4 -0.883 31.4-112.9-135.0 166.1 -31.3 23.1 63.4 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.848 32.4-135.9 -98.0 136.1 -30.9 19.3 62.9 20 20 A D > - 0 0 51 4,-3.6 3,-2.4 -2,-0.4 -1,-0.1 -0.167 42.4 -76.1 -79.6-168.8 -29.0 18.2 59.8 21 21 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.875 135.6 45.3 -48.0 -43.4 -30.1 15.4 57.5 22 22 A E T 3 S- 0 0 154 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.302 124.5 -98.4 -84.3 -0.3 -28.9 12.8 60.1 23 23 A G S < S+ 0 0 34 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.511 73.4 142.1 96.5 -0.1 -30.5 14.5 63.1 24 24 A Y - 0 0 72 1,-0.1 -4,-3.6 -5,-0.1 -1,-0.3 -0.613 56.4-110.8 -86.6 145.1 -27.5 16.4 64.5 25 25 A Y E +AB 19 34A 28 9,-0.7 8,-2.1 11,-0.4 9,-0.9 -0.500 50.9 163.5 -69.8 126.7 -27.8 19.9 66.1 26 26 A T E -AB 18 32A 4 -8,-3.0 -8,-2.8 -2,-0.3 2,-0.3 -0.904 17.3-176.5-142.6 168.2 -26.1 22.4 63.8 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.9 -2,-0.3 -12,-0.2 -0.973 50.0 15.2-161.5 168.4 -26.0 26.0 63.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.4 -2,-0.3 2,-1.1 -0.395 125.2 -11.6 64.2-133.7 -24.5 28.7 61.0 29 29 A I T 4 S- 0 0 5 34,-0.3 -1,-0.2 -16,-0.2 -16,-0.1 -0.760 129.2 -50.6 -98.4 84.6 -23.1 27.3 57.8 30 30 A G T 4 S+ 0 0 47 -2,-1.1 2,-0.8 -18,-0.3 -2,-0.2 0.747 85.7 165.2 58.3 30.6 -23.2 23.6 58.7 31 31 A H E < -B 27 0A 30 -4,-2.9 -4,-1.6 1,-0.0 2,-0.3 -0.675 31.5-138.3 -84.2 109.6 -21.4 24.1 62.0 32 32 A L E -B 26 0A 71 -2,-0.8 -6,-0.2 -6,-0.2 3,-0.1 -0.525 21.2-176.4 -71.8 128.7 -21.9 21.0 64.1 33 33 A L E - 0 0 16 -8,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.883 59.8 -30.8 -91.4 -49.9 -22.6 21.6 67.7 34 34 A T E -B 25 0A 25 -9,-0.9 -9,-0.7 2,-0.1 -1,-0.3 -0.973 36.2-131.1-168.3 153.8 -22.7 18.1 69.2 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.413 76.0 112.0 -91.4 4.3 -23.6 14.6 68.4 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.499 72.5-131.4 -77.2 144.8 -25.6 14.4 71.6 37 37 A P S S+ 0 0 128 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.413 74.6 108.3 -77.2 8.7 -29.4 14.1 71.1 38 38 A S > - 0 0 44 1,-0.2 4,-2.4 2,-0.0 -2,-0.1 -0.795 56.4-161.1 -97.3 123.3 -30.0 16.8 73.6 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-3.2 1,-0.2 5,-0.2 0.910 99.5 51.1 -57.5 -41.3 -31.3 20.2 72.5 40 40 A N H > S+ 0 0 115 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.904 108.0 49.6 -63.4 -43.6 -30.0 21.6 75.9 41 41 A A H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 111.5 51.6 -61.9 -39.0 -26.6 20.0 75.4 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.964 110.7 45.5 -61.0 -52.5 -26.7 21.7 72.0 43 43 A K H X S+ 0 0 51 -4,-3.2 4,-2.3 1,-0.2 13,-0.2 0.909 110.7 56.5 -57.4 -39.9 -27.5 25.1 73.4 44 44 A S H X S+ 0 0 66 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.887 106.5 48.5 -59.7 -42.0 -24.8 24.5 76.1 45 45 A E H X S+ 0 0 76 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.856 109.4 53.4 -65.4 -36.1 -22.2 24.0 73.4 46 46 A L H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.4 0.972 106.4 50.3 -62.7 -53.4 -23.2 27.1 71.6 47 47 A D H X>S+ 0 0 38 -4,-2.3 4,-3.7 1,-0.2 5,-1.3 0.906 112.2 50.9 -53.0 -37.2 -22.9 29.3 74.6 48 48 A K H <5S+ 0 0 149 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.0 43.3 -63.3 -47.4 -19.4 27.8 75.1 49 49 A A H <5S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.861 123.3 37.1 -67.5 -41.8 -18.4 28.5 71.6 50 50 A I H <5S- 0 0 41 -4,-3.4 -2,-0.2 2,-0.2 -3,-0.2 0.944 100.7-132.4 -76.7 -50.4 -19.9 32.0 71.6 51 51 A G T <5S+ 0 0 62 -4,-3.7 2,-0.3 1,-0.5 -3,-0.2 0.649 72.8 77.1 101.5 25.5 -19.0 32.7 75.1 52 52 A R S - 0 0 19 -2,-0.8 3,-0.7 -11,-0.2 -1,-0.2 0.663 40.2-145.5-110.5 -27.5 -27.6 32.6 73.3 55 55 A N T 3 S- 0 0 115 1,-0.2 -12,-0.1 -12,-0.2 3,-0.1 0.884 76.7 -53.1 60.0 34.5 -30.5 30.3 73.8 56 56 A G T 3 S+ 0 0 4 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.681 115.5 102.8 77.7 18.1 -29.8 28.8 70.4 57 57 A V B < -C 16 0B 62 -3,-0.7 2,-0.2 -41,-0.2 -41,-0.2 -0.985 44.2-178.7-139.3 127.7 -29.8 31.9 68.3 58 58 A I - 0 0 5 -43,-3.1 2,-0.2 -2,-0.4 -30,-0.1 -0.759 24.8-112.2-121.0 167.3 -26.8 33.7 66.9 59 59 A T > - 0 0 69 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.488 34.1-108.0 -90.7 166.5 -26.0 36.8 64.9 60 60 A K H > S+ 0 0 85 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.907 120.4 54.8 -58.7 -41.4 -24.6 36.8 61.4 61 61 A D H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.904 107.3 49.9 -59.4 -39.6 -21.3 38.0 62.7 62 62 A E H > S+ 0 0 57 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.884 107.6 52.3 -67.6 -42.0 -21.1 35.1 65.1 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -34,-0.3 0.815 106.8 55.2 -61.5 -34.3 -21.9 32.6 62.5 64 64 A E H X S+ 0 0 48 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.929 103.9 53.9 -68.8 -39.4 -19.1 34.1 60.5 65 65 A K H X S+ 0 0 126 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.961 112.5 43.9 -53.5 -58.4 -16.8 33.6 63.4 66 66 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.901 109.7 55.4 -55.1 -46.4 -17.7 29.9 63.5 67 67 A F H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.943 106.3 52.3 -56.5 -43.5 -17.5 29.6 59.7 68 68 A N H X S+ 0 0 54 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.826 107.5 50.7 -61.9 -34.4 -13.9 30.9 59.9 69 69 A Q H X S+ 0 0 108 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.947 111.2 49.3 -65.0 -46.1 -12.9 28.3 62.5 70 70 A D H X S+ 0 0 43 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.893 110.7 50.7 -53.5 -47.3 -14.3 25.7 60.3 71 71 A V H X S+ 0 0 19 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.951 108.1 52.3 -63.6 -43.7 -12.4 27.1 57.4 72 72 A D H X S+ 0 0 90 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 108.4 49.8 -57.8 -43.4 -9.2 27.1 59.4 73 73 A A H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.890 109.9 52.0 -60.7 -42.6 -9.6 23.4 60.3 74 74 A A H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.943 111.4 46.7 -59.4 -45.0 -10.2 22.6 56.7 75 75 A V H X S+ 0 0 17 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.857 105.4 58.6 -65.0 -38.4 -7.1 24.3 55.6 76 76 A R H X S+ 0 0 173 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.942 109.0 45.7 -60.6 -42.9 -5.0 22.7 58.2 77 77 A G H >< S+ 0 0 19 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.921 109.4 54.6 -63.4 -41.4 -6.0 19.4 56.8 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 7,-0.4 0.863 103.7 55.7 -56.5 -41.3 -5.3 20.5 53.3 79 79 A L H 3< S+ 0 0 69 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.664 103.3 53.7 -71.8 -15.5 -1.9 21.5 54.2 80 80 A R T << S+ 0 0 239 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.3 0.135 93.7 92.4 -98.2 10.7 -1.1 18.0 55.6 81 81 A N <> - 0 0 31 -3,-1.6 4,-4.2 1,-0.1 3,-0.4 -0.945 64.8-155.8-115.6 107.9 -2.2 16.6 52.2 82 82 A A T 4 S+ 0 0 89 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.862 93.7 45.2 -54.1 -40.1 0.5 16.1 49.5 83 83 A K T 4 S+ 0 0 99 1,-0.1 4,-0.4 2,-0.1 -1,-0.3 0.867 121.8 36.2 -76.3 -30.5 -1.8 16.3 46.6 84 84 A L T >> S+ 0 0 0 -3,-0.4 4,-2.3 -6,-0.2 3,-0.8 0.853 100.5 74.3 -88.8 -34.5 -3.7 19.2 47.8 85 85 A K H 3X S+ 0 0 94 -4,-4.2 4,-2.2 -7,-0.4 5,-0.2 0.863 96.4 45.2 -45.1 -56.2 -1.0 21.2 49.5 86 86 A P H 3> S+ 0 0 50 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.739 113.2 51.6 -64.8 -27.1 0.8 22.6 46.4 87 87 A V H <> S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.4 -2,-0.2 0.939 112.5 43.2 -70.8 -53.3 -2.4 23.5 44.6 88 88 A Y H >< S+ 0 0 27 -4,-2.3 3,-0.6 1,-0.3 -3,-0.2 0.920 112.7 55.6 -56.2 -41.7 -3.9 25.5 47.4 89 89 A D H 3< S+ 0 0 87 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.882 110.3 46.2 -59.4 -38.1 -0.5 26.9 47.9 90 90 A S H 3< S+ 0 0 33 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.720 96.1 89.3 -82.4 -16.6 -0.6 28.0 44.3 91 91 A L S << S- 0 0 8 -4,-1.4 31,-0.0 -3,-0.6 2,-0.0 -0.450 71.8-117.1 -86.7 157.0 -4.1 29.6 44.0 92 92 A D > - 0 0 61 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.248 40.7 -93.3 -78.8 169.8 -5.3 33.0 44.6 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.827 124.6 46.8 -55.8 -43.2 -7.8 33.9 47.4 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.973 114.9 46.6 -62.8 -52.9 -10.9 33.6 45.3 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.775 107.2 58.5 -60.8 -30.5 -9.7 30.4 43.8 96 96 A R H X S+ 0 0 76 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.889 102.1 55.4 -67.9 -38.3 -8.8 29.1 47.3 97 97 A a H X S+ 0 0 10 -4,-1.6 4,-2.3 -3,-0.4 -2,-0.2 0.920 104.9 52.3 -61.0 -39.5 -12.4 29.7 48.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.892 108.8 49.9 -62.8 -41.9 -13.6 27.5 45.4 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.876 111.4 49.1 -62.4 -37.8 -11.4 24.6 46.5 100 100 A I H X S+ 0 0 4 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.904 104.9 58.8 -67.6 -37.7 -12.6 24.9 50.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.923 106.6 47.6 -58.3 -45.1 -16.1 24.9 48.8 102 102 A M H X S+ 0 0 4 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.909 110.1 51.9 -64.6 -42.0 -15.4 21.6 47.2 103 103 A V H X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.916 108.5 50.8 -58.6 -44.5 -13.8 20.2 50.4 104 104 A F H < S+ 0 0 57 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.865 114.7 46.2 -59.5 -39.1 -16.8 21.2 52.4 105 105 A Q H < S+ 0 0 51 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.970 134.2 6.1 -70.0 -59.8 -19.0 19.5 49.9 106 106 A M H X S- 0 0 56 -4,-2.8 4,-0.8 1,-0.2 -3,-0.2 0.277 104.0-112.8-112.2 9.3 -17.3 16.2 49.4 107 107 A G H X - 0 0 29 -4,-2.7 4,-1.9 -5,-0.3 5,-0.2 0.285 36.5 -70.6 76.5 158.1 -14.5 16.1 51.9 108 108 A E H > S+ 0 0 64 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.849 129.7 51.9 -51.2 -48.2 -10.8 16.1 51.7 109 109 A T H > S+ 0 0 118 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.898 105.8 52.9 -64.3 -40.7 -10.6 12.7 50.3 110 110 A G H >< S+ 0 0 31 -4,-0.8 3,-0.6 -3,-0.2 4,-0.3 0.911 111.0 46.7 -60.9 -42.3 -13.1 13.3 47.5 111 111 A V H >< S+ 0 0 1 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.900 102.0 63.4 -67.4 -36.9 -11.2 16.3 46.2 112 112 A A H 3< S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 91.7 70.3 -56.7 -25.5 -7.9 14.5 46.3 113 113 A G T << S+ 0 0 51 -4,-0.9 2,-1.8 -3,-0.6 -1,-0.3 0.724 73.7 84.2 -62.4 -27.6 -9.4 12.2 43.7 114 114 A F <> + 0 0 38 -3,-2.0 4,-3.7 -4,-0.3 5,-0.3 -0.211 56.6 162.0 -77.3 48.4 -9.3 14.9 41.0 115 115 A T H > S+ 0 0 69 -2,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.799 71.1 36.0 -34.4 -58.2 -5.8 14.1 40.1 116 116 A N H > S+ 0 0 100 -3,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.911 115.0 53.6 -69.5 -46.3 -5.7 15.6 36.8 117 117 A S H > S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.931 109.3 50.8 -56.3 -45.8 -7.9 18.6 37.5 118 118 A L H X S+ 0 0 9 -4,-3.7 4,-1.9 1,-0.2 -1,-0.3 0.909 106.7 54.3 -58.0 -43.4 -5.7 19.4 40.4 119 119 A R H X S+ 0 0 157 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.957 108.9 48.2 -57.9 -45.7 -2.7 19.2 38.2 120 120 A M H <>S+ 0 0 29 -4,-2.6 5,-2.3 1,-0.2 3,-0.4 0.906 108.4 54.5 -61.8 -38.4 -4.1 21.7 35.7 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.851 104.7 52.9 -65.0 -34.8 -5.1 24.1 38.4 122 122 A Q H 3<5S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.5 48.3 -73.6 -19.1 -1.6 24.2 39.8 123 123 A Q T 3<5S- 0 0 84 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.316 113.8-116.7 -97.6 -0.8 -0.4 25.1 36.4 124 124 A K T < 5 + 0 0 105 -3,-0.9 2,-1.2 -4,-0.3 -3,-0.2 0.781 64.1 145.4 62.5 34.2 -3.0 27.8 35.7 125 125 A R >< + 0 0 103 -5,-2.3 4,-2.6 1,-0.2 5,-0.2 -0.681 20.3 170.7 -95.9 69.2 -4.7 26.0 32.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.900 68.2 45.1 -51.3 -47.3 -8.0 27.4 33.9 127 127 A D H > S+ 0 0 108 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.956 112.9 48.5 -65.3 -51.5 -10.0 26.3 30.9 128 128 A E H > S+ 0 0 92 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.890 112.1 52.3 -57.5 -36.0 -8.7 22.8 30.7 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.944 108.9 48.5 -65.2 -45.4 -9.4 22.6 34.4 130 130 A A H X S+ 0 0 12 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.917 112.9 48.5 -59.7 -42.4 -12.9 23.7 33.9 131 131 A V H < S+ 0 0 80 -4,-3.1 4,-0.4 1,-0.2 3,-0.3 0.947 113.7 48.0 -59.4 -49.9 -13.3 21.2 31.0 132 132 A N H >< S+ 0 0 48 -4,-3.4 3,-1.5 1,-0.2 4,-0.3 0.880 107.5 53.4 -59.1 -42.1 -11.9 18.6 33.2 133 133 A L H >< S+ 0 0 2 -4,-3.2 3,-1.6 1,-0.3 6,-0.4 0.880 97.9 65.6 -64.1 -31.8 -14.0 19.3 36.1 134 134 A A T 3< S+ 0 0 33 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.560 91.9 63.4 -67.8 -7.8 -17.2 19.1 34.1 135 135 A K T < S+ 0 0 142 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.445 82.5 108.4 -92.3 -7.6 -16.7 15.3 33.4 136 136 A S S <> S- 0 0 19 -3,-1.6 4,-0.8 -4,-0.3 -3,-0.0 -0.226 80.2-121.2 -68.1 168.6 -16.9 14.4 37.1 137 137 A R H > S+ 0 0 186 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.845 113.0 61.6 -74.0 -36.1 -19.6 12.6 38.7 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.848 97.7 57.2 -55.9 -42.6 -20.0 15.7 41.0 139 139 A Y H 4 S+ 0 0 65 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.2 46.0 -62.2 -36.6 -20.8 17.9 38.1 140 140 A N H < S+ 0 0 111 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.925 113.5 47.4 -77.1 -35.9 -23.7 15.8 37.2 141 141 A Q H < S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.847 128.4 18.2 -70.3 -40.1 -25.1 15.4 40.7 142 142 A T S X S+ 0 0 43 -4,-2.2 4,-2.9 1,-0.1 -1,-0.2 -0.660 75.3 164.0-135.4 71.4 -25.1 19.0 41.9 143 143 A P H > + 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.750 68.2 53.0 -67.1 -32.5 -24.8 20.9 38.7 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.905 116.8 38.9 -69.0 -49.1 -25.9 24.4 39.8 145 145 A R H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 117.3 50.9 -66.8 -48.4 -23.4 24.4 42.6 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -8,-0.2 5,-0.3 0.904 107.9 51.9 -59.6 -39.6 -20.7 22.7 40.5 147 147 A K H X S+ 0 0 125 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.955 111.1 48.3 -59.8 -46.8 -21.2 25.1 37.6 148 148 A R H X S+ 0 0 46 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.902 112.5 48.5 -58.7 -49.7 -20.7 28.1 40.0 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.956 113.3 46.2 -59.7 -48.5 -17.6 26.6 41.5 150 150 A I H X S+ 0 0 12 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.882 108.9 55.2 -61.7 -39.5 -16.0 25.8 38.2 151 151 A T H X S+ 0 0 25 -4,-2.5 4,-3.3 -5,-0.3 5,-0.3 0.935 107.0 51.4 -59.2 -39.6 -16.8 29.2 36.9 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.886 111.7 46.3 -63.3 -41.6 -14.9 30.6 39.9 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.912 115.0 49.2 -67.8 -42.1 -11.9 28.4 39.2 154 154 A R H < S+ 0 0 104 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.957 125.3 23.1 -63.7 -48.8 -12.1 29.4 35.5 155 155 A T H < S- 0 0 45 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.729 86.9-134.1 -92.1 -25.1 -12.4 33.2 36.0 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.672 75.7 93.4 77.7 16.7 -10.8 33.9 39.4 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.809 85.2-112.8-129.5 178.5 -13.8 36.2 40.2 158 158 A W S >> S+ 0 0 47 -2,-0.2 3,-1.0 1,-0.2 4,-0.7 0.068 73.0 122.0 -99.3 24.0 -17.2 36.0 41.9 159 159 A D G >4 + 0 0 109 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.879 66.6 60.9 -57.3 -36.2 -19.1 36.5 38.7 160 160 A A G 34 S+ 0 0 28 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.857 112.5 39.6 -59.0 -31.2 -21.0 33.3 39.1 161 161 A Y G X4 S+ 0 0 4 -3,-1.0 3,-1.8 1,-0.1 -1,-0.3 0.458 83.9 111.0 -96.7 -3.5 -22.4 34.6 42.3 162 162 A K T << S+ 0 0 135 -3,-1.3 2,-0.1 -4,-0.7 -1,-0.1 0.895 86.1 28.0 -35.2 -73.2 -23.0 38.2 41.3 163 163 A N T 3 0 0 133 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.041 360.0 360.0 -92.7 37.1 -26.7 38.4 41.2 164 164 A L < 0 0 117 -3,-1.8 -1,-0.2 -2,-0.1 -2,-0.2 0.488 360.0 360.0-111.1 360.0 -27.5 35.7 43.8