==== 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) 06-NOV-95 196L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.BALDWIN,J.XU,O.HAJISEYEDJAVADI,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 74.7 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 0 1 1 2 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 134.6 43.6 -1.9 8.9 2 2 A N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.867 360.0 -83.7-146.7 177.1 40.4 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.830 124.9 50.0 -58.3 -35.5 38.3 2.4 11.1 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.972 113.8 42.8 -68.2 -54.5 40.5 3.7 14.0 5 5 A E H > S+ 0 0 100 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.858 115.8 53.0 -57.8 -36.3 43.7 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.904 112.1 41.2 -68.4 -42.5 42.0 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.794 108.8 61.0 -77.2 -26.2 40.7 7.9 10.7 8 8 A R H X S+ 0 0 94 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.846 106.7 46.4 -68.0 -28.6 43.9 8.3 12.6 9 9 A I H < S+ 0 0 91 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.936 114.9 46.1 -74.5 -47.9 45.7 8.6 9.2 10 10 A D H < S+ 0 0 19 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.764 125.5 27.5 -65.3 -33.6 43.2 11.0 7.8 11 11 A E H < S- 0 0 44 -4,-2.2 19,-0.4 1,-0.1 -1,-0.2 0.620 91.8-150.5-107.4 -21.6 42.9 13.3 10.7 12 12 A G < - 0 0 24 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.1 -0.073 24.0 -85.0 74.4 178.5 46.2 13.1 12.5 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.970 43.2 173.7-130.5 113.5 46.8 13.6 16.3 14 14 A R E -A 28 0A 136 14,-1.6 14,-2.0 -2,-0.4 4,-0.1 -0.983 18.1-164.6-124.5 128.3 47.3 17.1 17.8 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.1 12,-0.1 2,-0.4 0.486 73.1 61.4 -89.4 -4.2 47.6 17.7 21.5 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.932 98.3 -89.6-125.5 144.3 47.1 21.4 21.4 17 17 A I E + 0 0 4 39,-1.5 2,-0.3 -2,-0.4 10,-0.2 -0.158 57.8 163.9 -49.3 144.0 44.0 23.3 20.1 18 18 A Y E -A 26 0A 28 8,-3.0 8,-2.7 -4,-0.1 2,-0.3 -0.954 37.2 -99.3-155.7 172.5 44.2 24.1 16.5 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.730 32.2-140.0 -98.6 147.7 42.2 25.2 13.5 20 20 A D > - 0 0 48 4,-1.9 3,-1.7 -2,-0.3 -1,-0.1 -0.303 41.4 -84.1 -92.9-176.9 41.0 22.8 10.9 21 21 A T T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.747 132.1 54.2 -61.0 -21.4 41.0 23.3 7.2 22 22 A E T 3 S- 0 0 91 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.585 121.4-105.9 -86.9 -11.0 37.7 25.1 7.6 23 23 A G S < S+ 0 0 36 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.352 75.5 136.8 102.4 -2.5 39.1 27.5 10.2 24 24 A Y - 0 0 76 1,-0.1 -4,-1.9 -5,-0.1 -1,-0.3 -0.506 61.1-101.6 -85.7 151.1 37.3 25.8 13.2 25 25 A Y E +AB 19 34A 29 9,-1.1 8,-3.1 11,-0.5 9,-1.2 -0.415 53.0 159.4 -70.3 129.1 38.7 25.0 16.6 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-3.0 6,-0.3 2,-0.3 -0.910 19.7-166.9-146.3 166.1 39.6 21.4 16.9 27 27 A I E > - B 0 31A 0 4,-1.6 4,-1.6 -2,-0.3 -12,-0.1 -0.987 49.8 -6.1-156.2 159.9 41.7 19.1 19.0 28 28 A G E 4 S+A 14 0A 0 -14,-2.0 -14,-1.6 -2,-0.3 2,-1.0 -0.308 120.8 1.0 62.6-123.5 43.2 15.6 19.1 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.583 126.9 -57.6-102.1 72.9 42.0 13.2 16.5 30 30 A G T 4 S+ 0 0 18 -2,-1.0 2,-0.9 -19,-0.4 -2,-0.2 0.640 85.3 157.3 68.9 16.7 39.7 15.4 14.4 31 31 A H E < -B 27 0A 32 -4,-1.6 -4,-1.6 1,-0.1 2,-0.2 -0.587 36.7-138.0 -76.3 106.3 37.5 16.2 17.4 32 32 A L E -B 26 0A 69 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.381 21.0-175.9 -66.0 129.9 35.7 19.5 16.6 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.951 59.1 -26.3 -88.8 -54.2 35.4 21.9 19.4 34 34 A T E -B 25 0A 28 -9,-1.2 -9,-1.1 2,-0.1 -1,-0.3 -0.984 33.7-134.8-162.7 149.1 33.3 24.7 18.0 35 35 A K S S+ 0 0 149 -2,-0.3 -1,-0.0 -11,-0.2 -3,-0.0 0.230 79.3 108.3 -88.4 15.9 32.3 26.5 15.0 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.5 -11,-0.1 -2,-0.1 -0.679 71.6-134.3 -99.0 151.5 33.0 29.7 16.9 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.481 73.9 100.8 -81.5 -4.8 35.8 32.1 16.4 38 38 A S >> - 0 0 50 1,-0.2 4,-2.5 -13,-0.0 3,-0.6 -0.733 58.4-156.4 -92.6 116.8 36.6 32.5 20.0 39 39 A L H 3> S+ 0 0 56 -2,-0.7 4,-1.6 1,-0.3 -1,-0.2 0.717 99.1 56.6 -56.6 -17.4 39.6 30.7 21.4 40 40 A N H 3> S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.886 100.9 51.4 -85.2 -36.3 37.8 31.1 24.6 41 41 A A H <> S+ 0 0 33 -3,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.910 113.4 50.3 -63.4 -34.0 34.7 29.5 23.6 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.851 107.3 49.6 -73.0 -35.2 37.0 26.8 22.5 43 43 A K H X S+ 0 0 57 -4,-1.6 4,-2.2 -5,-0.2 11,-0.2 0.896 111.6 52.7 -70.2 -31.3 38.9 26.5 25.7 44 44 A S H X S+ 0 0 71 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.939 109.7 45.7 -64.1 -52.1 35.5 26.3 27.5 45 45 A E H X S+ 0 0 71 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.925 110.5 56.1 -59.4 -44.6 34.2 23.5 25.3 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.916 107.6 46.1 -57.0 -46.7 37.5 21.6 25.7 47 47 A D H X>S+ 0 0 34 -4,-2.2 4,-3.1 2,-0.2 5,-0.9 0.893 112.2 50.9 -65.9 -37.0 37.4 21.6 29.5 48 48 A K H <5S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.9 47.0 -66.8 -36.4 33.8 20.5 29.6 49 49 A A H <5S+ 0 0 43 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.897 120.5 37.3 -69.3 -40.3 34.6 17.7 27.2 50 50 A I H <5S- 0 0 33 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.852 103.3-127.1 -80.5 -40.4 37.6 16.6 29.1 51 51 A G T <5S+ 0 0 64 -4,-3.1 2,-0.3 1,-0.4 -3,-0.2 0.585 75.6 66.6 99.5 18.3 36.3 17.2 32.5 52 52 A R S - 0 0 8 -2,-1.0 3,-0.8 -11,-0.2 -1,-0.2 0.770 34.7-144.1 -92.1 -32.7 43.1 22.0 30.4 55 55 A N T 3 S- 0 0 116 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.923 75.3 -56.0 65.0 39.3 44.4 25.3 29.3 56 56 A G T 3 S+ 0 0 1 -13,-0.2 -39,-1.5 1,-0.1 2,-0.4 0.607 118.4 101.1 68.0 15.5 44.0 24.2 25.7 57 57 A V B < +C 16 0B 75 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.979 44.5 179.7-137.0 128.9 46.3 21.1 26.1 58 58 A I - 0 0 3 -43,-2.1 2,-0.1 -2,-0.4 -30,-0.1 -0.838 26.8-111.7-124.3 163.6 45.4 17.4 26.5 59 59 A T > - 0 0 70 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.455 32.9-110.3 -86.8 160.8 47.2 14.1 26.9 60 60 A K H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.883 121.4 53.0 -54.4 -49.4 47.3 11.4 24.2 61 61 A D H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.971 108.4 50.5 -49.6 -56.7 45.1 9.2 26.4 62 62 A E H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.877 110.9 49.2 -47.3 -50.0 42.7 12.1 26.6 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -34,-0.4 0.854 110.8 50.6 -61.0 -38.6 42.7 12.5 22.8 64 64 A E H X S+ 0 0 78 -4,-2.9 4,-2.2 -3,-0.2 -1,-0.2 0.812 106.1 55.7 -71.4 -30.1 42.1 8.8 22.4 65 65 A K H X S+ 0 0 128 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.943 108.4 46.6 -68.5 -43.5 39.2 8.9 24.7 66 66 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 111.6 52.3 -62.5 -39.4 37.5 11.6 22.7 67 67 A F H X S+ 0 0 11 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.937 107.1 51.6 -61.8 -49.6 38.2 9.6 19.5 68 68 A N H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 111.8 47.4 -52.8 -47.5 36.7 6.5 20.9 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.910 112.8 50.0 -63.2 -39.3 33.6 8.4 21.8 70 70 A D H X S+ 0 0 35 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.856 110.7 46.8 -67.2 -40.3 33.5 10.0 18.4 71 71 A V H X S+ 0 0 6 -4,-3.3 4,-2.7 2,-0.2 3,-0.3 0.940 112.3 52.1 -66.4 -43.3 33.8 6.8 16.4 72 72 A D H X S+ 0 0 81 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.934 109.8 48.9 -56.4 -44.5 31.1 5.2 18.6 73 73 A A H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.773 108.4 54.1 -66.0 -31.9 28.8 8.1 18.0 74 74 A A H X S+ 0 0 8 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.960 109.2 46.8 -68.7 -51.2 29.4 7.9 14.3 75 75 A V H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 115.0 47.5 -54.3 -48.0 28.4 4.3 14.1 76 76 A R H X S+ 0 0 112 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.926 108.8 53.1 -64.9 -40.7 25.3 5.0 16.3 77 77 A G H >X S+ 0 0 3 -4,-2.5 4,-0.6 1,-0.2 3,-0.6 0.901 109.8 49.9 -61.5 -35.3 24.3 8.0 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 7,-0.5 0.979 108.8 51.2 -61.6 -53.5 24.5 5.8 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.564 113.4 46.2 -60.9 -12.6 22.4 3.0 12.7 80 80 A R H << S+ 0 0 176 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.3 0.424 89.5 98.3-108.7 -11.2 19.7 5.5 13.7 81 81 A N S+ 0 0 111 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.840 120.8 41.4 -83.2 -33.0 18.7 7.2 5.2 84 84 A L H >> S+ 0 0 0 -7,-0.2 4,-2.0 -6,-0.2 3,-0.9 0.902 97.4 67.3 -83.6 -45.3 21.8 5.8 6.4 85 85 A K H 3X S+ 0 0 86 -4,-2.9 4,-2.9 -7,-0.5 5,-0.2 0.867 100.8 50.2 -45.3 -49.8 21.1 2.5 8.1 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.823 108.8 51.5 -65.8 -30.7 20.0 0.8 5.0 87 87 A V H < S+ 0 0 34 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.929 107.6 55.4 -59.9 -53.2 25.3 0.5 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 107.7 52.8 -54.3 -33.5 23.4 -2.7 6.2 90 90 A S H 3< S+ 0 0 43 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.589 97.3 85.4 -77.9 -13.4 23.9 -3.4 2.5 91 91 A L S << S- 0 0 5 -3,-1.8 31,-0.0 -4,-0.5 30,-0.0 -0.595 76.0-111.8 -96.5 165.4 27.6 -2.9 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.3 1,-0.1 5,-0.1 -0.057 43.5 -95.5 -74.0 173.7 30.7 -5.1 3.1 93 93 A A H > S+ 0 0 84 2,-0.2 4,-0.8 1,-0.1 -1,-0.1 0.802 120.0 48.2 -69.7 -26.6 33.0 -4.4 6.0 94 94 A V H >> S+ 0 0 25 62,-0.2 4,-1.3 2,-0.2 3,-1.1 0.976 112.2 47.3 -74.3 -54.5 35.6 -2.3 4.2 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.754 106.6 60.0 -55.4 -28.5 33.1 -0.0 2.5 96 96 A R H 3X S+ 0 0 77 -4,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.840 100.5 55.6 -69.1 -35.2 31.3 0.4 5.9 97 97 A A H S+ 0 0 58 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.835 129.2 51.8 -51.0 -48.7 24.9 12.3 9.6 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 107.5 51.7 -58.2 -48.3 23.0 15.1 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.6 1,-0.2 4,-0.3 0.939 119.0 35.5 -53.8 -54.0 25.8 16.0 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.7 1,-0.2 -2,-0.2 0.914 107.3 65.8 -68.7 -42.4 26.1 12.5 4.5 112 112 A A H 3< S+ 0 0 15 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 99.0 59.0 -52.8 -21.7 22.4 11.8 4.7 113 113 A G T << S+ 0 0 47 -4,-1.1 2,-3.1 -3,-0.6 -1,-0.3 0.626 72.2 93.7 -84.8 -14.1 22.2 14.5 2.0 114 114 A F <> + 0 0 48 -3,-2.7 4,-2.2 -4,-0.3 3,-0.4 -0.246 54.8 166.8 -74.8 57.7 24.4 12.9 -0.7 115 115 A T H > + 0 0 91 -2,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.779 65.1 43.2 -40.4 -53.5 21.2 11.4 -2.1 116 116 A N H > S+ 0 0 81 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 114.2 48.5 -69.1 -39.2 22.4 10.3 -5.5 117 117 A S H > S+ 0 0 4 -3,-0.4 4,-3.2 2,-0.2 5,-0.2 0.922 108.7 55.3 -68.2 -36.3 25.6 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.901 109.1 48.5 -60.2 -41.4 23.8 6.9 -1.5 119 119 A R H X S+ 0 0 113 -4,-1.6 4,-3.2 -5,-0.3 -1,-0.2 0.944 112.3 46.4 -67.6 -44.8 21.5 5.3 -4.1 120 120 A M H X>S+ 0 0 21 -4,-2.3 5,-2.0 2,-0.2 4,-0.6 0.954 111.7 52.7 -63.3 -41.9 24.4 4.3 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-3.2 3,-1.5 1,-0.3 -2,-0.2 0.944 110.5 48.5 -54.0 -47.4 26.2 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.947 109.9 49.9 -60.7 -45.0 23.1 1.0 -2.6 123 123 A Q H 3<5S- 0 0 96 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.445 109.9-124.3 -76.1 5.3 22.9 -0.2 -6.2 124 124 A K T <<5 + 0 0 90 -3,-1.5 2,-1.6 -4,-0.6 -3,-0.2 0.754 59.5 150.3 59.1 27.2 26.6 -1.3 -5.9 125 125 A R >< + 0 0 98 -5,-2.0 4,-1.6 1,-0.2 -1,-0.2 -0.647 20.5 177.6 -88.1 74.1 27.4 0.8 -9.0 126 126 A W H > + 0 0 54 -2,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.793 66.3 48.3 -51.2 -43.6 31.0 1.5 -7.7 127 127 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.930 112.0 44.4 -71.9 -42.8 32.3 3.5 -10.6 128 128 A E H > S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.842 110.1 56.9 -70.4 -33.6 29.6 6.1 -11.1 129 129 A M H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 5,-0.2 0.928 104.7 52.2 -59.0 -47.7 29.3 6.6 -7.4 130 130 A A H X S+ 0 0 11 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.875 110.4 47.9 -61.3 -34.7 33.0 7.5 -7.3 131 131 A V H < S+ 0 0 95 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.933 113.0 49.2 -70.9 -43.4 32.5 10.1 -10.1 132 132 A N H >< S+ 0 0 42 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.889 105.6 54.3 -64.3 -40.0 29.5 11.5 -8.3 133 133 A L H 3< S+ 0 0 4 -4,-3.0 6,-0.5 1,-0.2 -1,-0.2 0.865 101.1 64.2 -64.1 -28.5 31.2 11.8 -4.9 134 134 A A T 3< S+ 0 0 29 -4,-1.1 2,-1.5 -5,-0.2 -1,-0.2 0.660 84.8 73.2 -67.3 -19.9 33.9 13.9 -6.7 135 135 A K S < S+ 0 0 166 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.620 82.5 106.3 -94.6 71.1 31.6 16.7 -7.7 136 136 A S S > S- 0 0 20 -2,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.998 80.8-123.3-149.9 153.7 31.4 18.0 -4.2 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.913 114.4 61.2 -60.4 -39.0 32.5 20.8 -2.1 138 138 A W H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 8,-0.2 0.937 106.3 42.5 -51.7 -55.5 33.9 18.0 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.9 53.0 -60.0 -42.4 36.2 16.6 -2.5 140 140 A N H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 111.2 44.9 -64.9 -32.9 37.3 20.1 -3.6 141 141 A Q H < S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 133.0 15.7 -79.1 -36.1 38.3 21.3 -0.2 142 142 A T S X S+ 0 0 26 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 -0.512 71.5 162.4-139.9 67.9 40.2 18.1 0.8 143 143 A P H > + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.818 70.0 55.4 -60.2 -37.7 40.9 16.2 -2.3 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.971 115.5 39.0 -63.9 -49.7 43.7 13.9 -1.0 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 115.8 51.8 -60.3 -52.2 41.6 12.6 1.8 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.928 107.2 53.9 -53.8 -45.5 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 97 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.902 108.1 51.3 -55.8 -41.7 40.3 10.5 -2.9 148 148 A R H X S+ 0 0 66 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.930 113.1 43.1 -60.5 -46.3 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.940 114.0 51.3 -66.2 -44.3 37.7 7.6 0.9 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.824 109.5 49.8 -61.2 -36.9 36.4 7.4 -2.6 151 151 A T H X S+ 0 0 41 -4,-2.2 4,-3.3 -5,-0.2 5,-0.5 0.899 106.3 56.4 -67.9 -42.1 38.9 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.890 111.1 43.6 -56.6 -40.7 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.875 115.6 49.0 -71.7 -40.4 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 84 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.964 123.3 27.4 -64.0 -54.5 35.1 2.0 -5.2 155 155 A T H < S- 0 0 45 -4,-3.3 -2,-0.2 2,-0.2 -1,-0.2 0.673 88.5-136.6 -84.9 -23.0 37.4 -0.8 -4.7 156 156 A G S < S+ 0 0 14 -4,-1.7 2,-0.2 -5,-0.5 -62,-0.2 0.694 71.8 101.9 73.2 12.6 36.2 -2.2 -1.5 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.773 79.3-119.8-125.4 172.5 39.9 -2.6 -0.3 158 158 A W S > S+ 0 0 42 -2,-0.2 3,-2.1 1,-0.2 4,-0.3 0.166 73.1 118.6 -93.9 14.8 42.3 -0.7 2.0 159 159 A D G > + 0 0 96 1,-0.3 3,-2.8 2,-0.2 -1,-0.2 0.886 65.5 60.5 -50.9 -46.0 44.8 0.0 -0.8 160 160 A A G 3 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.716 110.5 44.8 -56.3 -20.5 44.5 3.7 -0.6 161 161 A Y G < 0 0 19 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.380 360.0 360.0-107.3 5.1 45.7 3.4 2.9 162 162 A K < 0 0 171 -3,-2.8 -2,-0.2 -4,-0.3 -3,-0.1 0.785 360.0 360.0-112.3 360.0 48.5 1.0 2.5