==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2RBQ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8893.0 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 . 82 50.6 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 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.8 43.0 -1.8 9.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.909 360.0 -81.7-154.8 178.5 39.8 -0.8 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.849 126.6 51.2 -60.9 -35.5 37.7 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.953 112.6 43.5 -66.3 -48.5 39.9 3.5 14.2 5 5 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 114.9 52.4 -63.6 -37.2 43.2 3.2 12.3 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.956 112.6 41.3 -63.9 -55.4 41.5 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.835 110.4 59.7 -64.0 -31.4 40.2 7.8 10.9 8 8 A R H X S+ 0 0 107 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.922 108.4 44.9 -63.4 -40.6 43.5 8.1 12.8 9 9 A I H < S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.943 118.6 42.5 -62.3 -47.5 45.3 8.4 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.782 124.9 32.7 -73.5 -29.7 42.7 10.9 8.1 11 11 A E H < S- 0 0 41 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.673 91.6-153.0-103.9 -24.5 42.4 13.1 11.2 12 12 A G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.2 -0.186 23.1 -89.4 73.6-172.8 45.8 13.0 12.8 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.961 44.4 166.5-141.5 118.5 46.4 13.5 16.5 14 14 A R E -A 28 0A 153 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.999 20.9-161.8-135.7 131.3 47.0 16.9 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.492 73.5 65.0 -96.0 -5.9 46.9 17.4 21.9 16 16 A K E S-C 57 0B 115 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.901 101.2 -86.7-115.6 149.0 46.5 21.2 21.8 17 17 A I E + 0 0 31 39,-2.3 2,-0.3 -2,-0.3 10,-0.2 -0.259 58.3 166.1 -54.0 130.7 43.5 23.1 20.4 18 18 A Y E -A 26 0A 30 8,-2.6 8,-3.1 -4,-0.1 2,-0.5 -0.886 38.8-102.3-137.0 169.3 43.9 23.7 16.6 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.851 35.2-137.6 -96.6 131.8 41.7 24.8 13.7 20 20 A D > - 0 0 45 4,-2.7 3,-1.9 -2,-0.5 -1,-0.1 0.009 43.1 -76.1 -71.2-172.3 40.5 22.0 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.712 135.3 50.7 -60.9 -25.2 40.4 22.2 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.428 123.0-104.1 -95.2 0.8 37.3 24.5 7.8 23 23 A G S < S+ 0 0 40 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.588 75.6 139.7 88.3 12.2 38.9 26.8 10.3 24 24 A Y - 0 0 74 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.759 61.1-102.6 -93.9 135.8 37.0 25.4 13.3 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.6 -2,-0.4 9,-1.3 -0.293 54.7 159.5 -58.8 131.3 38.5 24.7 16.7 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.6 6,-0.3 2,-0.3 -0.872 19.0-168.8-148.1 161.0 39.2 21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.4 -2,-0.3 -12,-0.2 -0.977 51.6 7.6-151.1 168.1 41.4 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.9 -0.421 124.3 -9.2 69.7-134.0 42.6 15.2 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.742 128.9 -50.7-103.0 74.9 41.7 13.0 16.7 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.826 82.2 163.4 63.5 33.4 39.3 15.3 14.8 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.8 -20,-0.1 2,-0.3 -0.746 31.3-144.6 -83.1 103.5 37.2 16.1 17.8 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.499 18.3-175.6 -68.1 126.1 35.3 19.3 16.7 33 33 A L - 0 0 13 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.881 58.5 -35.0 -88.3 -46.2 34.8 21.6 19.7 34 34 A T - 0 0 32 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.3 -0.967 34.5-129.3-168.9 157.7 32.7 24.4 18.2 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.469 75.9 114.6 -91.7 -5.2 32.1 26.3 15.0 36 36 A S - 0 0 36 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.395 68.2-139.2 -61.9 136.1 32.3 29.6 17.1 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.524 75.8 103.5 -72.6 -1.8 35.3 31.8 16.2 38 38 A S > - 0 0 59 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.726 58.5-160.0 -88.0 113.6 35.8 32.5 20.0 39 39 A L H > S+ 0 0 70 -2,-0.7 4,-2.6 1,-0.3 -1,-0.2 0.849 94.6 56.6 -59.1 -36.8 38.7 30.5 21.4 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.893 104.5 51.4 -61.1 -37.9 37.3 30.9 24.9 41 41 A A H > S+ 0 0 38 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.904 111.1 49.9 -65.7 -36.7 34.0 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.919 108.3 51.1 -64.9 -44.7 36.1 26.4 22.4 43 43 A K H X S+ 0 0 53 -4,-2.6 4,-2.6 1,-0.2 11,-0.3 0.862 108.7 52.7 -61.7 -38.4 38.0 26.0 25.7 44 44 A S H X S+ 0 0 69 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.938 109.1 48.7 -61.7 -47.3 34.7 25.9 27.5 45 45 A E H X S+ 0 0 69 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.877 111.4 51.3 -59.5 -37.8 33.5 23.1 25.2 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.966 110.6 46.3 -63.8 -53.2 36.8 21.2 25.8 47 47 A D H X>S+ 0 0 36 -4,-2.6 4,-2.7 1,-0.2 5,-0.7 0.879 113.1 51.4 -55.5 -39.6 36.5 21.5 29.6 48 48 A K H <5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.7 46.7 -64.7 -45.1 32.9 20.3 29.3 49 49 A A H <5S+ 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.821 121.6 34.9 -66.1 -35.8 33.8 17.3 27.2 50 50 A I H <5S- 0 0 37 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.740 101.4-126.4 -95.5 -29.9 36.8 16.2 29.4 51 51 A G T <5S+ 0 0 69 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.683 78.0 70.1 87.7 20.6 35.4 17.1 32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.625 29.2-143.9 -94.2 -18.1 42.2 21.7 30.5 55 55 A N T 3 S- 0 0 84 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.894 75.0 -51.9 45.0 47.2 43.4 25.2 29.4 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-2.3 1,-0.1 2,-0.4 0.504 119.4 97.7 78.7 7.3 43.4 24.0 25.8 57 57 A V B < +C 16 0B 68 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.991 43.4 177.1-133.8 135.1 45.5 20.9 26.2 58 58 A I - 0 0 3 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.854 27.2-109.6-126.5 168.8 44.6 17.2 26.7 59 59 A T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.464 32.8-108.0 -91.0 167.8 46.5 13.9 27.0 60 60 A K H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 121.9 52.3 -60.3 -43.5 46.7 11.0 24.5 61 61 A D H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 110.0 48.3 -58.8 -42.7 44.4 8.9 26.7 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 110.8 50.9 -65.7 -40.2 41.9 11.8 26.8 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -34,-0.4 0.926 111.4 48.3 -61.6 -43.3 42.1 12.2 22.9 64 64 A E H X S+ 0 0 76 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.843 108.4 54.3 -68.1 -33.0 41.5 8.5 22.5 65 65 A K H X S+ 0 0 131 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.956 110.3 45.1 -64.6 -50.4 38.5 8.6 24.8 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.901 111.7 55.1 -56.1 -40.3 36.8 11.4 22.8 67 67 A F H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.931 106.7 49.0 -61.3 -48.4 37.7 9.5 19.6 68 68 A N H X S+ 0 0 86 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.916 114.0 47.0 -55.7 -45.7 35.9 6.3 20.9 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.927 112.7 49.2 -62.8 -42.3 32.9 8.4 21.8 70 70 A D H X S+ 0 0 38 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.891 112.2 46.3 -68.6 -41.9 32.9 10.2 18.5 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.938 113.9 49.6 -63.9 -47.0 33.1 7.0 16.3 72 72 A D H X S+ 0 0 96 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.950 111.9 47.3 -58.1 -50.7 30.4 5.3 18.4 73 73 A A H X S+ 0 0 57 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.847 109.2 55.0 -61.9 -33.6 28.1 8.3 18.1 74 74 A A H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.951 112.3 43.1 -63.4 -47.1 28.7 8.5 14.3 75 75 A V H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.962 113.9 49.1 -60.9 -53.4 27.7 4.9 13.8 76 76 A R H X S+ 0 0 137 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.864 109.8 54.7 -58.8 -36.9 24.6 5.1 16.1 77 77 A G H X S+ 0 0 2 -4,-2.1 4,-0.7 -5,-0.3 3,-0.3 0.913 105.4 50.6 -58.4 -49.2 23.6 8.3 14.2 78 78 A I H >< S+ 0 0 4 -4,-2.0 3,-1.5 1,-0.2 7,-0.5 0.946 109.6 52.0 -53.6 -48.0 23.7 6.5 10.9 79 79 A L H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.788 108.6 50.5 -62.9 -28.8 21.5 3.7 12.4 80 80 A R H 3< S+ 0 0 184 -4,-1.3 2,-0.7 -3,-0.3 -1,-0.3 0.532 92.1 92.0 -83.8 -10.7 19.0 6.3 13.6 81 81 A N S+ 0 0 14 -3,-0.4 4,-2.9 -6,-0.2 3,-0.3 0.860 101.9 69.4 -89.0 -39.4 21.3 6.3 5.8 85 85 A K H X S+ 0 0 80 -4,-3.1 4,-3.0 -7,-0.5 5,-0.2 0.884 98.2 48.4 -52.7 -50.9 20.5 3.1 7.6 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.897 115.2 46.0 -61.3 -36.1 19.2 1.0 4.7 87 87 A V H >> S+ 0 0 10 -4,-0.4 4,-0.8 -3,-0.3 3,-0.7 0.967 113.7 48.8 -68.3 -48.6 22.3 2.0 2.6 88 88 A Y H >< S+ 0 0 27 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.926 111.3 49.2 -54.0 -49.0 24.7 1.3 5.5 89 89 A D H 3< S+ 0 0 74 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.741 104.2 60.5 -68.6 -21.8 23.1 -2.1 6.2 90 90 A S H << S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.681 94.4 89.2 -73.0 -21.5 23.4 -3.0 2.5 91 91 A L S << S- 0 0 9 -3,-1.4 2,-0.1 -4,-0.8 31,-0.0 -0.442 78.0-118.4 -81.7 153.6 27.2 -2.6 2.6 92 92 A D > - 0 0 54 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.349 44.7 -94.6 -71.2 165.9 30.0 -5.0 3.5 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.811 122.6 51.4 -61.1 -34.6 32.2 -4.2 6.6 94 94 A V H >> S+ 0 0 31 2,-0.2 4,-1.4 62,-0.2 3,-0.6 0.963 112.2 44.5 -68.9 -51.4 35.0 -2.3 4.6 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.871 106.6 62.0 -62.4 -34.9 32.5 -0.0 2.7 96 96 A R H 3X S+ 0 0 82 -4,-2.6 4,-2.3 1,-0.2 -1,-0.3 0.887 100.4 54.6 -52.3 -38.8 30.7 0.5 6.1 97 97 A C H 4 S+ 0 0 134 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.849 104.5 63.8 -66.9 -33.7 23.4 17.3 7.5 110 110 A G G >4 S+ 0 0 32 -4,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.865 104.6 43.7 -53.4 -42.3 26.7 17.2 5.6 111 111 A V G >< S+ 0 0 10 -4,-1.1 3,-1.8 -3,-0.2 -1,-0.2 0.353 80.5 102.1 -94.2 7.7 25.5 14.2 3.6 112 112 A A G X S+ 0 0 66 -3,-1.2 3,-0.6 1,-0.3 -1,-0.2 0.804 81.5 53.7 -58.0 -31.4 22.0 15.4 2.8 113 113 A G G < S+ 0 0 70 -3,-0.5 3,-0.5 -4,-0.3 -1,-0.3 0.500 88.9 82.0 -83.4 -2.1 23.1 16.3 -0.7 114 114 A F G <> + 0 0 29 -3,-1.8 4,-3.1 1,-0.2 3,-0.3 0.227 49.8 120.9 -88.8 19.0 24.5 12.8 -1.4 115 115 A T H <> S+ 0 0 78 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.856 76.4 47.9 -48.3 -43.9 21.1 11.2 -2.3 116 116 A N H > S+ 0 0 79 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.909 112.8 46.5 -70.2 -40.8 22.3 10.2 -5.7 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.915 110.5 55.3 -62.1 -44.8 25.6 8.7 -4.5 118 118 A L H X S+ 0 0 33 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.922 107.4 48.8 -55.3 -48.3 23.6 6.8 -1.7 119 119 A R H X S+ 0 0 113 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.931 111.4 49.0 -57.2 -49.1 21.3 5.2 -4.4 120 120 A M H <>S+ 0 0 34 -4,-2.0 5,-2.6 1,-0.2 4,-0.5 0.900 111.3 50.4 -59.9 -38.7 24.3 4.1 -6.5 121 121 A L H ><5S+ 0 0 5 -4,-2.6 3,-1.2 2,-0.2 -2,-0.2 0.934 109.5 49.8 -65.6 -44.6 26.0 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.887 111.6 49.7 -59.0 -37.7 22.8 0.7 -2.5 123 123 A Q T 3<5S- 0 0 88 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.560 111.2-126.5 -74.7 -10.3 22.7 -0.6 -6.1 124 124 A K T < 5 + 0 0 96 -3,-1.2 2,-1.4 -4,-0.5 -3,-0.2 0.840 58.3 150.1 62.6 33.8 26.3 -1.6 -5.8 125 125 A R >< + 0 0 122 -5,-2.6 4,-3.0 1,-0.2 5,-0.2 -0.692 22.2 177.1 -91.5 75.9 27.2 0.4 -8.9 126 126 A W H > + 0 0 51 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.869 67.9 43.3 -62.5 -44.0 30.6 1.0 -7.5 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 116.9 47.6 -68.4 -44.0 32.3 2.9 -10.3 128 128 A E H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.919 111.4 51.5 -57.6 -48.8 29.3 5.1 -10.9 129 129 A A H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.944 110.0 50.0 -51.1 -51.0 29.0 5.8 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.914 110.8 48.4 -61.4 -43.9 32.7 6.8 -7.1 131 131 A V H < S+ 0 0 88 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.943 114.2 46.6 -59.1 -45.9 32.3 9.2 -10.0 132 132 A N H >< S+ 0 0 35 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.909 106.5 58.3 -66.4 -38.6 29.2 10.7 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.821 102.2 55.1 -58.7 -34.2 30.9 11.0 -4.9 134 134 A A T 3< S+ 0 0 31 -4,-1.3 2,-1.7 -3,-0.4 -1,-0.3 0.575 84.6 84.2 -80.6 -12.4 33.7 13.2 -6.4 135 135 A K S < S+ 0 0 159 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.521 81.5 100.1 -85.3 66.3 31.2 15.7 -7.8 136 136 A S S > S- 0 0 15 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.995 85.5-119.3-154.3 151.1 31.1 17.5 -4.5 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.935 116.4 60.4 -53.1 -47.3 32.3 20.4 -2.3 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.910 106.6 43.1 -43.4 -56.9 33.7 17.6 -0.1 139 139 A Y H 4 S+ 0 0 52 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.932 115.3 49.2 -61.3 -45.7 36.0 16.2 -2.8 140 140 A N H < S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.0 41.3 -66.5 -33.1 37.1 19.7 -4.0 141 141 A Q H < S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 132.7 21.2 -85.8 -35.6 38.0 21.0 -0.5 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 -0.569 74.1 156.5-129.6 66.8 39.7 17.8 0.8 143 143 A P H > + 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.860 69.2 53.3 -67.4 -37.0 40.7 15.8 -2.3 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.949 116.8 38.3 -65.2 -45.7 43.4 13.7 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 115.5 53.0 -67.6 -43.6 41.3 12.3 1.9 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.899 105.1 56.2 -61.5 -39.1 38.2 12.1 -0.3 147 147 A K H X S+ 0 0 92 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.905 108.9 46.9 -56.3 -42.1 40.2 10.1 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.3 4,-2.0 2,-0.2 12,-0.2 0.934 114.9 45.2 -67.0 -45.0 41.0 7.5 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.940 114.2 48.7 -66.7 -45.2 37.5 7.3 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.906 108.7 53.4 -60.9 -43.7 36.0 7.0 -2.4 151 151 A T H X S+ 0 0 39 -4,-2.5 4,-2.3 -5,-0.3 6,-0.4 0.905 108.5 51.4 -57.8 -41.3 38.6 4.3 -3.3 152 152 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 111.6 45.8 -59.2 -47.7 37.4 2.4 -0.3 153 153 A F H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.2 49.0 -58.8 -39.1 33.7 2.8 -1.4 154 154 A R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.888 126.3 21.0 -70.5 -41.1 34.7 1.8 -5.0 155 155 A T H < S- 0 0 36 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.653 83.4-134.0-105.4 -23.2 36.7 -1.4 -4.1 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.775 74.2 106.8 61.8 26.8 35.7 -2.6 -0.7 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.808 79.6-121.9-125.6 172.7 39.4 -3.0 0.1 158 158 A W >> + 0 0 59 -2,-0.3 3,-2.5 1,-0.2 4,-1.4 0.163 69.9 123.4 -98.9 19.7 41.9 -1.1 2.2 159 159 A D T 34 + 0 0 128 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.798 69.5 56.3 -54.5 -34.9 44.2 -0.4 -0.8 160 160 A A T 34 S+ 0 0 33 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.600 113.8 39.8 -74.4 -7.9 44.1 3.4 -0.2 161 161 A Y T <4 0 0 15 -3,-2.5 -2,-0.2 -13,-0.1 -1,-0.2 0.524 360.0 360.0-122.2 -17.7 45.3 3.1 3.4 162 162 A K < 0 0 219 -4,-1.4 -3,-0.1 -3,-0.1 -2,-0.1 0.431 360.0 360.0 53.7 360.0 48.0 0.3 3.2