==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JAN-02 1KW5 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.MOOERS,R.D.BUSAM,L.H.WEAVER, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 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 1 2 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 69 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.9 43.6 -1.8 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.920 360.0 -81.3-155.3 178.4 40.3 -0.7 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.821 124.8 50.6 -56.6 -39.6 38.2 2.4 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 113.7 42.5 -68.0 -49.7 40.3 3.7 14.1 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.869 114.4 53.4 -60.6 -41.7 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.936 112.8 42.3 -60.2 -51.8 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.4 0.852 108.5 58.6 -66.0 -30.7 40.7 7.8 10.9 8 8 A R H X S+ 0 0 97 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.911 109.4 47.9 -67.2 -30.6 44.0 8.3 12.9 9 9 A I H < S+ 0 0 89 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.937 114.8 42.9 -71.6 -46.7 45.7 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.804 125.5 32.2 -68.5 -33.2 43.2 11.0 8.0 11 11 A E H < S- 0 0 45 -4,-2.6 19,-0.3 1,-0.2 -2,-0.2 0.673 91.2-153.2-100.7 -24.2 42.9 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.2 -0.238 24.9 -83.0 75.6-172.4 46.3 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.945 44.1 168.7-136.1 115.2 46.9 13.7 16.5 14 14 A R E -A 28 0A 146 14,-1.9 14,-2.4 -2,-0.3 4,-0.1 -0.999 18.8-165.9-130.3 130.8 47.3 17.1 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.387 74.0 62.6 -96.2 2.0 47.3 17.6 21.9 16 16 A K E S-C 57 0B 92 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.937 101.2 -87.5-124.6 147.6 46.9 21.3 21.8 17 17 A I E + 0 0 22 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.282 57.2 168.6 -53.2 134.4 43.9 23.2 20.4 18 18 A Y E -A 26 0A 24 8,-3.0 8,-3.0 -4,-0.1 2,-0.5 -0.835 36.8-104.9-139.6 173.3 44.4 23.8 16.7 19 19 A K E -A 25 0A 118 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.881 34.3-135.9-103.3 139.7 42.3 25.0 13.9 20 20 A D > - 0 0 49 4,-3.6 3,-2.2 -2,-0.5 -1,-0.1 -0.109 41.3 -77.7 -78.8-170.6 41.1 22.5 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.745 135.4 47.6 -58.8 -28.7 41.0 22.8 7.5 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.392 125.1-102.6 -90.5 -2.5 37.9 25.0 7.8 23 23 A G S < S+ 0 0 32 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.604 74.2 141.8 88.7 18.4 39.5 27.2 10.5 24 24 A Y - 0 0 75 1,-0.0 -4,-3.6 9,-0.0 -1,-0.3 -0.803 59.3-102.1-101.3 146.5 37.6 25.7 13.5 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-2.8 11,-0.4 9,-1.4 -0.427 54.4 159.3 -62.8 123.5 38.9 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.0 -2,-0.3 2,-0.3 -0.875 18.4-171.6-137.9 165.7 39.7 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.1 -2,-0.3 2,-0.2 -0.986 51.2 5.1-152.4 167.8 41.8 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.9 -0.461 123.4 -4.9 67.3-135.9 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.699 128.0 -55.2 -97.1 68.7 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.786 83.6 162.8 67.8 31.2 39.8 15.6 14.8 31 31 A H E < -B 27 0A 31 -4,-2.1 -4,-1.8 1,-0.0 -1,-0.2 -0.705 31.7-142.4 -86.0 105.4 37.5 16.4 17.7 32 32 A L E -B 26 0A 75 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.367 19.8-177.4 -66.2 127.7 35.7 19.6 16.8 33 33 A L E - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.863 58.9 -24.5 -92.0 -48.1 35.2 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.951 35.3-137.9-165.3 153.0 33.3 24.7 18.4 35 35 A K S S+ 0 0 152 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.507 74.8 111.5 -93.6 -5.2 32.5 26.6 15.2 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.363 73.5-132.1 -72.2 142.3 32.9 29.9 17.1 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.529 77.1 104.6 -75.5 1.0 35.8 32.2 16.5 38 38 A S > - 0 0 46 1,-0.1 4,-2.3 -13,-0.0 5,-0.1 -0.728 55.4-162.1 -94.0 125.1 36.4 32.5 20.2 39 39 A L H > S+ 0 0 65 -2,-0.5 4,-3.4 1,-0.3 5,-0.3 0.857 95.1 54.0 -70.2 -33.7 39.2 30.7 21.7 40 40 A N H > S+ 0 0 111 2,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.923 105.5 52.1 -69.7 -38.3 37.8 31.0 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 111.1 49.2 -60.4 -42.5 34.7 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.3 0.912 110.2 50.1 -62.3 -43.9 36.8 26.6 22.6 43 43 A K H X S+ 0 0 54 -4,-3.4 4,-2.3 1,-0.2 11,-0.2 0.909 109.9 51.9 -66.4 -32.7 38.6 26.3 25.9 44 44 A S H X S+ 0 0 68 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.967 108.6 47.6 -63.7 -53.2 35.4 26.2 27.6 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.897 110.9 56.2 -56.4 -39.9 34.0 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.964 106.4 46.1 -60.3 -47.2 37.2 21.6 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.3 4,-2.6 1,-0.2 5,-1.4 0.903 112.3 51.6 -64.7 -36.8 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.845 110.4 48.4 -66.3 -33.8 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.881 120.6 37.1 -72.1 -36.9 34.4 17.6 27.4 50 50 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.729 102.8-126.9 -84.9 -33.9 37.3 16.5 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.822 76.9 67.7 86.4 30.9 35.9 17.2 32.9 52 52 A R S - 0 0 7 -2,-1.0 3,-1.1 -11,-0.2 -1,-0.2 0.717 31.6-146.2 -86.0 -28.4 42.7 21.8 30.8 55 55 A N T 3 S- 0 0 121 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.813 72.0 -59.3 64.3 22.9 44.1 25.1 29.9 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.7 -13,-0.2 2,-0.4 0.517 116.5 98.1 90.8 -13.2 44.0 23.9 26.1 57 57 A V B < -C 16 0B 67 -3,-1.1 2,-0.3 -41,-0.2 -1,-0.2 -0.971 47.4-178.7-110.0 139.8 46.2 21.0 26.4 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.856 25.3-109.8-133.6 164.3 45.2 17.3 26.8 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.541 32.1-106.9 -93.0 169.8 47.0 14.0 27.3 60 60 A K H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.831 121.2 52.9 -59.3 -44.2 47.2 11.2 24.8 61 61 A D H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.6 50.2 -63.7 -35.0 44.8 9.2 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.898 109.5 52.3 -68.7 -41.0 42.2 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -34,-0.4 0.928 110.7 47.7 -56.5 -48.9 42.6 12.3 23.1 64 64 A E H X S+ 0 0 71 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.872 109.3 54.0 -62.7 -38.0 41.9 8.6 22.6 65 65 A K H X S+ 0 0 141 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.964 110.4 44.7 -66.0 -47.3 39.0 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 111.8 55.8 -59.9 -40.7 37.4 11.5 22.9 67 67 A F H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.929 105.8 49.3 -58.5 -50.2 38.2 9.6 19.8 68 68 A N H X S+ 0 0 91 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.935 112.3 48.3 -53.1 -47.4 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.890 110.9 50.8 -62.6 -40.8 33.4 8.3 21.9 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.865 110.0 48.6 -64.5 -40.9 33.4 10.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.945 112.4 49.6 -64.7 -46.2 33.7 7.0 16.5 72 72 A D H X S+ 0 0 93 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.950 110.7 50.1 -57.5 -44.8 30.9 5.4 18.5 73 73 A A H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.896 106.7 53.7 -61.6 -39.9 28.8 8.5 18.0 74 74 A A H X S+ 0 0 8 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.949 109.3 50.1 -61.4 -43.7 29.4 8.5 14.2 75 75 A V H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.945 112.2 48.2 -59.7 -45.9 28.2 4.8 14.0 76 76 A R H X S+ 0 0 129 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.898 106.1 54.8 -68.4 -31.2 25.1 5.6 16.0 77 77 A G H < S+ 0 0 4 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.3 0.875 109.3 49.3 -67.1 -38.0 24.2 8.5 13.9 78 78 A I H >< S+ 0 0 0 -4,-1.7 3,-1.6 -3,-0.3 7,-0.4 0.947 112.7 47.0 -59.9 -51.1 24.3 6.3 10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.764 110.4 52.2 -67.1 -25.8 22.2 3.7 12.5 80 80 A R T 3< S+ 0 0 186 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.496 92.2 93.6 -86.2 -8.5 19.7 6.2 13.6 81 81 A N <> - 0 0 23 -3,-1.6 4,-3.3 -4,-0.4 3,-0.3 -0.799 62.2-153.8 -96.2 122.8 19.4 7.7 10.2 82 82 A A T 4 S+ 0 0 83 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.773 96.2 44.4 -61.9 -27.5 16.6 6.5 7.9 83 83 A K T 4 S+ 0 0 131 2,-0.1 4,-0.4 1,-0.1 -1,-0.3 0.774 121.7 36.7 -84.5 -31.7 18.4 7.4 4.7 84 84 A M T >> S+ 0 0 0 -3,-0.3 4,-2.6 -6,-0.2 3,-0.6 0.849 98.5 71.6 -88.8 -38.7 21.7 6.1 5.7 85 85 A K H 3X S+ 0 0 82 -4,-3.3 4,-2.8 -7,-0.4 5,-0.2 0.891 99.3 49.2 -45.0 -49.3 21.0 3.0 7.7 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.854 111.8 49.4 -64.1 -32.5 19.9 0.9 4.7 87 87 A V H <> S+ 0 0 4 -3,-0.6 4,-0.6 -4,-0.4 -2,-0.2 0.944 112.3 46.7 -70.1 -47.1 22.9 1.9 2.7 88 88 A Y H >< S+ 0 0 29 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.904 111.5 51.6 -59.7 -44.5 25.3 1.1 5.5 89 89 A D H 3< S+ 0 0 73 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.838 104.1 58.9 -65.0 -29.8 23.6 -2.3 6.1 90 90 A S H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.2 0.645 97.3 82.0 -72.9 -17.6 23.9 -3.2 2.4 91 91 A M S << S- 0 0 5 -3,-1.0 31,-0.0 -4,-0.6 30,-0.0 -0.592 78.7-110.6 -95.3 162.1 27.6 -2.9 2.4 92 92 A D > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.156 44.7 -95.4 -73.8 171.6 30.7 -5.0 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.822 121.0 50.6 -62.8 -38.8 32.9 -4.1 6.4 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.6 62,-0.2 3,-0.3 0.949 112.2 46.5 -64.6 -50.9 35.5 -2.1 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 106.6 58.9 -61.8 -36.3 33.0 0.0 2.7 96 96 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 102.5 55.0 -55.4 -42.3 31.2 0.6 6.0 97 97 A A H X S+ 0 0 7 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.874 103.3 54.6 -59.2 -39.3 34.4 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.883 109.1 48.6 -62.0 -39.1 34.5 4.5 4.5 99 99 A M H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.914 108.3 51.5 -68.2 -40.7 31.0 5.7 5.4 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.933 107.1 56.8 -59.8 -41.1 31.8 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.936 107.1 47.6 -55.1 -49.3 34.9 8.2 7.9 102 102 A M H X S+ 0 0 5 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.905 112.6 47.3 -60.8 -45.0 32.7 10.6 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.914 110.1 53.7 -65.1 -39.5 30.2 11.0 8.8 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.935 116.7 39.1 -55.7 -44.3 32.9 11.6 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.929 133.4 18.7 -73.7 -47.8 34.3 14.3 9.1 106 106 A M H X S- 0 0 51 -4,-3.2 4,-0.9 -5,-0.2 -3,-0.2 0.419 102.1-119.3-110.6 -0.9 31.1 16.0 7.9 107 107 A G H X - 0 0 28 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.213 35.9 -73.4 74.1 163.0 28.5 15.0 10.3 108 108 A E H > S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.788 130.2 50.1 -65.2 -33.4 25.4 13.1 9.7 109 109 A T H > S+ 0 0 120 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.984 107.2 52.6 -71.2 -54.7 23.7 15.8 8.1 110 110 A G H >< S+ 0 0 34 -4,-0.9 3,-0.7 1,-0.3 -2,-0.2 0.903 115.8 42.6 -45.3 -52.6 26.5 16.6 5.6 111 111 A V H >< S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.2 -1,-0.3 0.871 103.9 60.9 -68.4 -41.1 26.6 13.0 4.6 112 112 A A H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.781 96.0 67.4 -60.8 -19.0 22.8 12.4 4.4 113 113 A G T << S+ 0 0 60 -4,-1.5 -1,-0.3 -3,-0.7 3,-0.2 0.341 76.1 84.0 -79.5 6.7 22.8 15.2 1.6 114 114 A F <> + 0 0 36 -3,-1.9 4,-2.7 1,-0.2 3,-0.4 -0.337 57.4 152.5-100.1 45.5 24.9 12.9 -0.8 115 115 A T H > + 0 0 80 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.846 64.8 46.2 -44.6 -55.5 21.6 11.3 -1.9 116 116 A N H > S+ 0 0 95 -3,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.901 113.6 48.0 -59.6 -40.9 22.5 10.4 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.902 110.0 54.7 -63.8 -42.9 25.9 8.9 -4.2 118 118 A L H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.897 106.8 50.5 -55.7 -46.7 24.1 6.9 -1.4 119 119 A R H X S+ 0 0 150 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.920 111.7 48.2 -57.3 -48.9 21.6 5.4 -4.0 120 120 A M H <>S+ 0 0 35 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.852 110.6 50.5 -62.9 -38.6 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 4 -4,-2.2 3,-1.7 2,-0.2 -1,-0.2 0.931 108.8 51.3 -66.3 -41.9 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.876 110.0 50.9 -60.2 -36.8 23.3 0.9 -2.2 123 123 A Q T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.535 112.0-123.7 -75.8 -9.1 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 96 -3,-1.7 2,-1.5 -4,-0.3 -3,-0.2 0.722 61.2 147.3 68.1 28.1 26.7 -1.4 -5.7 125 125 A R >< + 0 0 102 -5,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.640 21.4 175.1 -91.1 74.7 27.5 0.7 -8.7 126 126 A W H > + 0 0 50 -2,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.877 68.5 44.2 -54.5 -53.3 31.1 1.4 -7.4 127 127 A D H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 115.5 49.2 -60.9 -43.1 32.7 3.4 -10.3 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 110.8 48.2 -62.2 -47.9 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.889 108.9 56.1 -57.6 -41.9 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.935 109.1 46.1 -59.1 -41.1 33.0 7.2 -7.1 131 131 A V H >X S+ 0 0 96 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.947 114.4 47.5 -66.0 -48.8 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 35 -4,-2.6 3,-0.9 1,-0.3 -2,-0.2 0.881 107.3 55.9 -59.0 -43.1 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.2 -1,-0.3 0.814 102.2 58.3 -58.6 -34.4 31.2 11.5 -4.9 134 134 A A H << S+ 0 0 28 -4,-1.1 2,-2.0 -3,-0.6 -1,-0.2 0.673 84.8 80.7 -72.6 -20.2 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 160 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.521 81.7 98.5 -81.5 69.0 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-2.0 4,-2.2 1,-0.1 5,-0.2 -1.000 84.8-118.1-156.3 156.0 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.917 114.7 62.7 -60.9 -40.0 32.8 20.7 -2.3 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.941 105.7 43.2 -50.4 -47.9 34.2 17.9 0.0 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.2 49.7 -69.6 -40.7 36.4 16.6 -2.8 140 140 A N H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 115.5 42.5 -66.9 -36.8 37.5 20.1 -3.9 141 141 A Q H < S+ 0 0 98 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 132.6 17.2 -77.5 -42.5 38.4 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 -0.661 73.6 161.5-131.3 68.8 40.2 18.0 0.9 143 143 A P H > + 0 0 45 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.855 68.9 53.9 -59.5 -44.3 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.937 115.7 38.9 -62.1 -44.7 43.7 13.9 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 114.8 54.8 -63.5 -49.4 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -8,-0.2 5,-0.2 0.928 107.2 50.9 -52.7 -47.8 38.5 12.5 -0.3 147 147 A K H X S+ 0 0 85 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.865 108.2 52.0 -58.5 -41.3 40.4 10.3 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.6 4,-1.3 2,-0.2 12,-0.2 0.890 113.3 43.9 -60.9 -42.2 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 114.1 49.9 -66.4 -45.8 37.8 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.883 108.7 51.7 -61.3 -42.5 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.9 -5,-0.2 6,-0.4 0.875 107.3 55.5 -62.0 -36.4 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.913 110.9 41.7 -61.9 -46.9 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.9 52.2 -68.6 -36.2 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 123.6 23.4 -67.5 -41.9 35.3 2.0 -5.2 155 155 A T H < S- 0 0 48 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.594 84.9-136.1-100.8 -20.9 37.5 -1.1 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.631 74.0 100.0 70.1 13.5 36.3 -2.4 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.733 80.0-120.3-120.2 177.3 40.0 -2.8 -0.0 158 158 A W S >> S+ 0 0 35 -2,-0.2 3,-2.5 1,-0.2 4,-0.6 0.198 71.7 121.4 -99.2 16.8 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 106 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.798 65.3 60.2 -54.3 -31.5 44.8 -0.1 -0.5 160 160 A A G 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.661 108.5 47.3 -68.6 -17.8 44.6 3.7 -0.3 161 161 A Y G <4 0 0 21 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.524 360.0 360.0-103.7 -3.3 45.7 3.4 3.2 162 162 A K << 0 0 176 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.827 360.0 360.0 -95.5 360.0 48.7 1.0 2.5