==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAY-04 1T8G . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.M.HE,Z.A.WOOD,W.A.BAASE,H.XIAO,B.W.MATTHEWS . 158 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 72.8 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 6.3 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 1.3 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 2 0 0 1 1 1 0 0 0 0 0 1 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 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, 0.0 154,-0.0 0.000 360.0 360.0 360.0 149.1 89.1 31.5 20.3 2 2 A N > - 0 0 70 153,-0.0 4,-2.3 92,-0.0 3,-0.3 -0.891 360.0 -83.0-146.0 175.5 85.6 30.2 19.5 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.833 123.8 56.3 -54.1 -36.2 83.7 28.9 16.5 4 4 A F H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.952 110.6 41.9 -63.6 -46.6 83.0 32.4 15.3 5 5 A E H > S+ 0 0 97 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.858 114.6 53.5 -68.2 -32.8 86.6 33.5 15.1 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.946 111.9 42.0 -67.3 -50.5 87.6 30.1 13.6 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.855 108.7 59.9 -67.9 -31.5 85.1 30.2 10.8 8 8 A R H X S+ 0 0 102 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.913 107.9 47.0 -61.6 -40.3 85.8 33.9 10.1 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.945 117.2 42.1 -65.1 -48.1 89.4 32.9 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 124.7 34.0 -69.6 -31.8 88.5 30.0 7.2 11 11 A E H < S- 0 0 51 -4,-3.3 19,-0.5 -5,-0.2 -3,-0.2 0.680 91.7-153.6-100.0 -19.4 85.7 31.8 5.3 12 12 A G < - 0 0 26 -4,-2.2 2,-0.4 -5,-0.4 -1,-0.1 -0.171 24.9 -83.6 72.4-172.8 87.0 35.4 5.1 13 13 A L + 0 0 50 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.973 40.6 174.2-140.5 123.4 84.7 38.4 4.8 14 14 A R E -A 28 0A 109 14,-2.0 14,-2.4 -2,-0.4 4,-0.1 -0.989 14.9-169.6-126.2 134.8 83.2 39.9 1.6 15 15 A L E S+ 0 0 72 -2,-0.4 40,-2.4 12,-0.2 2,-0.4 0.408 75.0 57.5-104.4 3.3 80.7 42.7 1.6 16 16 A K E S-C 54 0B 136 38,-0.2 38,-0.2 12,-0.1 10,-0.1 -0.998 99.3 -93.3-133.8 136.5 79.7 42.4 -2.1 17 17 A I E - 0 0 29 36,-2.2 2,-0.3 -2,-0.4 10,-0.2 -0.164 49.5-175.7 -48.4 134.6 78.4 39.3 -3.8 18 18 A Y E -A 26 0A 105 8,-3.0 8,-3.5 -4,-0.1 2,-0.7 -0.954 26.3-129.1-136.0 151.2 81.2 37.3 -5.3 19 19 A K E -A 25 0A 116 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.902 30.6-147.0-104.5 113.7 81.3 34.2 -7.5 20 20 A D > - 0 0 49 4,-2.6 3,-1.7 -2,-0.7 -1,-0.0 -0.054 32.3 -87.6 -71.7 178.2 83.6 31.6 -6.0 21 21 A T T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.735 126.2 51.8 -59.0 -28.3 85.8 29.1 -7.9 22 22 A E T 3 S- 0 0 124 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.492 122.7-102.2 -89.5 -1.9 83.1 26.4 -8.1 23 23 A G S < S+ 0 0 42 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.446 76.1 134.4 100.5 0.2 80.6 28.9 -9.5 24 24 A Y - 0 0 132 9,-0.1 -4,-2.6 -5,-0.0 2,-0.5 -0.555 56.4-122.6 -83.9 147.4 78.5 29.7 -6.4 25 25 A Y E +A 19 0A 58 -6,-0.2 8,-2.4 -2,-0.2 2,-0.3 -0.767 41.4 174.2 -87.4 133.5 77.5 33.2 -5.5 26 26 A T E +AB 18 32A 20 -8,-3.5 -8,-3.0 -2,-0.5 2,-0.3 -0.929 12.1 166.9-137.8 160.0 78.8 34.0 -2.0 27 27 A I E > + B 0 31A 5 4,-1.5 4,-2.1 -2,-0.3 -12,-0.2 -0.968 49.3 18.3-162.8 168.5 78.9 37.0 0.3 28 28 A G E 4 S-A 14 0A 3 -14,-2.4 -14,-2.0 -2,-0.3 2,-0.8 -0.395 121.6 -16.7 67.6-134.3 79.6 37.8 4.0 29 29 A I T 4 S- 0 0 7 31,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.783 127.7 -44.9-110.1 84.4 81.4 35.2 5.9 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.3 -19,-0.5 -2,-0.2 0.742 84.9 157.1 66.5 24.5 80.9 32.1 3.8 31 31 A H E < -B 27 0A 16 -4,-2.1 -4,-1.5 -20,-0.1 2,-0.2 -0.686 24.4-174.8 -83.4 97.5 77.2 32.7 3.1 32 32 A A E B 26 0A 52 -2,-1.3 -6,-0.2 -6,-0.2 -3,-0.0 -0.590 360.0 360.0 -99.0 156.9 76.9 30.8 -0.2 33 33 A A 0 0 64 -8,-2.4 -1,-0.1 -2,-0.2 -9,-0.1 0.189 360.0 360.0-103.1 360.0 74.0 30.3 -2.6 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 38 A S > 0 0 106 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.4 71.8 32.8 -11.3 36 39 A L H > + 0 0 68 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.904 360.0 54.5 -62.1 -42.7 72.7 36.1 -9.9 37 40 A N H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 109.2 48.4 -59.7 -37.7 69.1 37.2 -9.6 38 41 A A H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 111.5 50.5 -67.2 -41.0 68.4 34.0 -7.6 39 42 A A H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.919 111.7 46.2 -62.7 -46.9 71.4 34.8 -5.4 40 43 A K H X S+ 0 0 47 -4,-3.0 4,-3.0 1,-0.2 11,-0.2 0.859 110.4 54.3 -66.1 -34.4 70.3 38.3 -4.7 41 44 A S H X S+ 0 0 80 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.923 110.5 45.6 -65.2 -42.3 66.8 37.2 -4.0 42 45 A E H X S+ 0 0 77 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.929 115.2 48.3 -65.2 -44.8 68.0 34.7 -1.4 43 46 A L H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.914 109.2 51.4 -61.9 -46.3 70.3 37.4 0.1 44 47 A D H X>S+ 0 0 37 -4,-3.0 4,-2.8 1,-0.2 5,-1.0 0.880 111.4 48.1 -61.0 -38.1 67.5 40.0 0.2 45 48 A K H <5S+ 0 0 184 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.1 47.5 -67.7 -40.2 65.2 37.6 2.0 46 49 A A H <5S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 120.7 35.7 -68.0 -41.5 68.0 36.7 4.4 47 50 A I H <5S- 0 0 16 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.857 106.6-124.6 -81.1 -38.0 69.0 40.3 5.1 48 51 A G T <5S+ 0 0 65 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.694 75.3 62.2 100.7 22.6 65.5 41.8 5.0 49 52 A R S - 0 0 3 -2,-1.3 3,-1.9 -11,-0.2 -1,-0.2 0.683 30.7-146.1 -83.9 -20.7 70.6 45.0 -1.0 52 55 A N T 3 S- 0 0 109 1,-0.3 -2,-0.1 -3,-0.1 3,-0.1 0.838 72.3 -60.1 52.7 32.6 71.5 45.0 -4.7 53 56 A G T 3 S+ 0 0 2 -13,-0.2 -36,-2.2 1,-0.1 2,-0.4 0.521 116.9 101.2 79.2 6.3 74.3 42.7 -3.6 54 57 A V B < +C 16 0B 75 -3,-1.9 2,-0.2 -38,-0.2 -38,-0.2 -0.991 44.9 173.0-128.6 128.1 76.1 45.0 -1.2 55 58 A I - 0 0 13 -40,-2.4 2,-0.2 -2,-0.4 -27,-0.1 -0.779 28.8-104.6-128.1 171.5 75.8 44.7 2.6 56 59 A T > - 0 0 68 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.489 32.2-111.3 -92.7 166.2 77.2 46.1 5.8 57 60 A K H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 119.9 52.9 -62.0 -42.9 79.7 44.4 8.2 58 61 A D H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 109.1 49.2 -60.4 -40.0 76.9 44.2 10.8 59 62 A E H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 109.7 51.9 -67.7 -36.8 74.6 42.5 8.3 60 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -31,-0.4 0.905 110.3 48.8 -64.7 -41.3 77.4 40.0 7.4 61 64 A E H X S+ 0 0 73 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.891 110.1 50.1 -67.6 -37.8 77.9 39.2 11.0 62 65 A K H X S+ 0 0 72 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.912 112.4 47.7 -65.8 -40.5 74.2 38.6 11.6 63 66 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.910 111.4 51.3 -64.0 -42.6 74.0 36.3 8.6 64 67 A F H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.929 108.4 51.4 -60.3 -45.5 77.1 34.5 9.8 65 68 A N H X S+ 0 0 84 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.901 110.7 48.8 -60.3 -39.8 75.4 34.1 13.2 66 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.927 111.7 48.8 -64.9 -44.6 72.4 32.6 11.5 67 70 A D H X S+ 0 0 38 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.862 110.8 49.5 -65.4 -37.3 74.5 30.2 9.4 68 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.917 110.4 51.1 -67.2 -42.4 76.5 29.0 12.4 69 72 A D H X S+ 0 0 77 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.893 108.5 52.4 -61.2 -38.8 73.2 28.4 14.3 70 73 A A H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.882 109.7 48.9 -64.6 -38.3 71.9 26.4 11.4 71 74 A A H X S+ 0 0 7 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.933 112.3 47.5 -68.3 -44.1 75.0 24.3 11.4 72 75 A V H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.945 114.2 46.5 -61.9 -46.2 74.8 23.6 15.1 73 76 A R H X S+ 0 0 144 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.870 108.3 56.9 -65.6 -32.8 71.1 22.8 14.9 74 77 A G H < S+ 0 0 16 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.903 108.3 47.6 -63.0 -40.7 71.8 20.5 11.9 75 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 7,-0.5 0.950 111.6 49.0 -63.7 -50.5 74.2 18.5 14.0 76 79 A L H 3< S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 111.2 50.1 -62.9 -27.4 71.9 18.2 16.9 77 80 A R T 3< S+ 0 0 204 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.472 94.4 89.9 -89.6 -1.3 69.0 17.1 14.7 78 81 A N <> - 0 0 34 -3,-1.5 4,-2.6 -4,-0.4 -4,-0.0 -0.856 67.9-148.5-103.2 124.1 71.2 14.4 13.0 79 82 A A T 4 S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.793 97.2 43.2 -57.7 -32.7 71.3 10.9 14.5 80 83 A K T > S+ 0 0 139 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.870 119.6 39.7 -83.2 -37.4 74.9 10.2 13.5 81 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.853 101.4 68.0 -82.1 -37.1 76.4 13.6 14.4 82 85 A K H X S+ 0 0 115 -4,-2.6 4,-2.9 -7,-0.5 5,-0.2 0.911 99.9 47.9 -51.7 -52.9 74.7 14.4 17.6 83 86 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.867 113.7 48.6 -58.5 -37.6 76.3 11.7 19.8 84 87 A V H X S+ 0 0 4 -4,-0.6 4,-1.2 -3,-0.3 -2,-0.2 0.957 112.1 48.0 -66.4 -49.2 79.7 12.6 18.4 85 88 A Y H >< S+ 0 0 37 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.921 110.4 51.7 -56.5 -48.5 79.2 16.3 19.1 86 89 A D H 3< S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.899 109.1 51.4 -57.3 -40.5 78.0 15.6 22.6 87 90 A S H 3< S+ 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.716 96.2 91.8 -70.4 -22.4 81.0 13.5 23.4 88 91 A L S << S- 0 0 6 -4,-1.2 2,-0.1 -3,-0.7 31,-0.0 -0.373 75.8-119.6 -79.6 154.4 83.5 16.1 22.2 89 92 A D > - 0 0 56 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.302 44.6 -89.9 -77.3 171.2 85.2 18.8 24.2 90 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.818 122.9 47.4 -55.6 -41.4 84.6 22.5 23.2 91 94 A V H > S+ 0 0 22 62,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.937 114.0 45.0 -70.9 -45.9 87.5 22.8 20.7 92 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.853 108.3 59.1 -67.5 -31.7 86.8 19.6 18.8 93 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.909 103.3 53.3 -60.0 -40.6 83.1 20.5 18.8 94 97 A A H X S+ 0 0 5 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.874 105.0 53.8 -62.4 -37.7 84.1 23.7 16.9 95 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.898 109.3 48.5 -65.2 -36.8 85.9 21.7 14.3 96 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 111.7 48.4 -69.6 -41.0 82.8 19.6 13.7 97 100 A I H X S+ 0 0 9 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.916 109.0 55.6 -62.2 -39.9 80.6 22.7 13.4 98 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.937 108.1 47.4 -57.4 -49.1 83.2 24.1 11.0 99 102 A M H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.924 113.2 47.6 -60.7 -44.4 82.9 21.0 8.8 100 103 A V H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.909 109.2 54.2 -64.5 -39.5 79.1 21.2 8.8 101 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.913 115.9 40.0 -58.8 -42.5 79.2 24.9 8.0 102 105 A Q H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.946 133.4 14.5 -74.0 -49.3 81.3 24.2 5.0 103 106 A M H < S- 0 0 53 -4,-2.9 4,-0.4 1,-0.2 -3,-0.2 0.523 102.7-111.5-110.8 -7.1 79.8 21.0 3.6 104 107 A G X - 0 0 31 -4,-2.3 4,-1.8 -5,-0.4 5,-0.2 -0.032 36.4 -74.8 94.3 160.5 76.4 20.5 5.1 105 108 A V H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 127.0 51.3 -60.1 -49.4 75.0 17.9 7.6 106 109 A T H > S+ 0 0 126 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.914 108.3 53.3 -56.5 -45.2 74.8 15.0 5.1 107 110 A G H >4 S+ 0 0 31 -4,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.927 112.8 41.7 -56.7 -48.3 78.4 15.5 4.0 108 111 A V H >< S+ 0 0 1 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.888 108.1 60.5 -68.9 -37.8 79.8 15.3 7.5 109 112 A A H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 94.5 67.2 -61.8 -19.6 77.5 12.4 8.4 110 113 A G T << S+ 0 0 54 -4,-1.0 2,-1.7 -3,-0.6 -1,-0.3 0.580 74.3 90.7 -77.3 -8.2 79.2 10.5 5.6 111 114 A F <> + 0 0 38 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 -0.367 51.3 159.9 -86.1 61.2 82.5 10.4 7.5 112 115 A T H > + 0 0 62 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.895 68.0 43.4 -50.1 -58.0 81.7 7.1 9.3 113 116 A N H > S+ 0 0 93 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 116.7 47.6 -57.3 -49.3 85.2 6.0 10.2 114 117 A S H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 111.0 50.4 -60.3 -43.9 86.2 9.5 11.4 115 118 A L H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 111.1 48.9 -61.3 -42.0 83.1 10.0 13.4 116 119 A R H X S+ 0 0 153 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.910 112.4 48.7 -64.8 -41.6 83.6 6.6 15.2 117 120 A M H <>S+ 0 0 32 -4,-2.5 5,-2.8 -5,-0.2 -2,-0.2 0.908 110.8 49.8 -65.7 -40.4 87.2 7.4 15.9 118 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.906 108.8 52.4 -63.3 -42.2 86.3 10.9 17.3 119 122 A Q H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 112.3 46.3 -62.3 -31.9 83.7 9.3 19.5 120 123 A Q T 3<5S- 0 0 129 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.328 113.1-121.0 -91.7 4.8 86.3 6.9 20.8 121 124 A K T < 5 + 0 0 107 -3,-1.4 2,-1.4 1,-0.2 -3,-0.2 0.789 64.8 144.9 58.1 27.8 88.8 9.7 21.3 122 125 A R >< + 0 0 131 -5,-2.8 4,-2.5 1,-0.2 -1,-0.2 -0.641 21.7 172.9 -92.1 72.9 91.2 8.0 18.9 123 126 A W H > + 0 0 53 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.846 70.0 47.4 -53.9 -45.7 92.4 11.4 17.6 124 127 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 112.5 49.8 -68.4 -36.8 95.2 10.3 15.4 125 128 A E H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.916 111.3 50.4 -65.4 -41.8 93.1 7.6 13.8 126 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.959 109.8 50.3 -58.8 -49.8 90.4 10.2 13.2 127 130 A A H X S+ 0 0 14 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.854 107.8 53.2 -57.7 -39.2 93.0 12.5 11.6 128 131 A V H X S+ 0 0 81 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.929 113.3 42.9 -62.7 -46.6 94.3 9.8 9.3 129 132 A N H >< S+ 0 0 38 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.883 109.3 57.0 -67.6 -40.8 90.8 9.0 8.0 130 133 A L H 3< S+ 0 0 3 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.876 105.4 51.2 -59.5 -37.7 89.8 12.7 7.6 131 134 A A H 3< S+ 0 0 33 -4,-1.7 2,-1.7 1,-0.2 -1,-0.2 0.741 94.5 74.3 -72.5 -23.2 92.7 13.4 5.3 132 135 A K S << S+ 0 0 153 -4,-0.8 2,-0.3 -3,-0.6 -1,-0.2 -0.508 84.5 100.7 -88.4 67.7 91.8 10.5 3.1 133 136 A S S > S- 0 0 17 -2,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.982 80.8-123.6-149.4 158.9 88.8 12.3 1.6 134 137 A R H > S+ 0 0 224 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.840 114.1 60.7 -69.9 -32.5 87.7 14.3 -1.4 135 138 A W H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.961 105.7 46.6 -55.9 -52.6 86.9 17.1 1.0 136 139 A Y H 4 S+ 0 0 58 -6,-0.4 7,-0.2 1,-0.2 -2,-0.2 0.936 112.6 48.3 -56.9 -49.8 90.5 17.3 2.1 137 140 A N H < S+ 0 0 118 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.809 112.0 50.3 -64.8 -27.3 91.8 17.2 -1.5 138 141 A Q H < S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 130.9 13.9 -77.4 -43.8 89.4 19.9 -2.6 139 142 A T S X S+ 0 0 44 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 -0.604 78.4 161.2-131.3 70.2 90.1 22.5 0.2 140 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.826 67.3 54.8 -63.7 -39.1 93.4 21.1 1.7 141 144 A N H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.954 116.1 40.5 -62.4 -45.3 94.7 24.1 3.6 142 145 A R H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 113.8 52.6 -66.6 -45.2 91.4 24.5 5.4 143 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 -7,-0.2 5,-0.3 0.907 106.5 54.6 -59.1 -41.0 91.0 20.7 5.9 144 147 A K H X S+ 0 0 109 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.929 109.0 47.5 -61.0 -40.8 94.5 20.6 7.4 145 148 A R H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 12,-0.2 0.939 114.6 46.3 -63.7 -44.9 93.6 23.3 10.0 146 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.914 114.2 47.9 -63.5 -43.3 90.4 21.5 10.9 147 150 A I H X S+ 0 0 15 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.905 109.2 52.1 -66.9 -40.9 92.1 18.1 11.1 148 151 A T H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.893 109.3 52.6 -61.2 -35.7 94.9 19.5 13.3 149 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.909 110.6 45.9 -65.7 -43.9 92.2 20.9 15.5 150 153 A F H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.887 115.3 49.0 -65.0 -38.6 90.4 17.5 15.8 151 154 A R H < S+ 0 0 119 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.934 124.4 24.9 -68.2 -46.9 93.8 15.9 16.5 152 155 A T H < S- 0 0 45 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.710 85.9-135.9 -93.8 -24.2 95.1 18.2 19.2 153 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.748 72.7 106.9 71.0 19.9 92.0 19.7 20.7 154 157 A T S S- 0 0 48 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.812 80.6-121.6-124.9 168.6 93.8 23.0 20.6 155 158 A W S > S+ 0 0 32 -2,-0.3 3,-2.4 1,-0.2 4,-0.4 0.226 72.8 121.3 -93.1 12.7 93.5 26.2 18.5 156 159 A D G > + 0 0 108 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.791 66.7 56.6 -45.7 -41.5 97.1 25.8 17.4 157 160 A A G 3 S+ 0 0 32 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.650 110.0 46.9 -70.8 -12.4 96.3 25.7 13.6 158 161 A Y G < 0 0 21 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.359 360.0 360.0-109.4 4.1 94.5 29.0 13.9 159 162 A K < 0 0 182 -3,-1.1 0, 0.0 -4,-0.4 0, 0.0 -0.705 360.0 360.0-112.9 360.0 97.1 31.0 15.8