==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-07 2OU9 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR Z.GUO,D.CASCIO,K.HIDEG,W.L.HUBBELL . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 68.9 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 6.1 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.2 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 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 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.3 43.0 -1.8 57.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.933 360.0 -81.2-158.9 177.2 39.7 -0.7 58.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.841 125.8 51.7 -61.9 -32.2 37.6 2.4 59.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 113.7 42.2 -66.9 -47.3 39.7 3.6 62.2 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 114.3 53.4 -67.6 -35.0 43.0 3.3 60.4 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.947 113.3 40.6 -64.2 -48.1 41.4 4.8 57.2 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.4 0.867 109.8 60.2 -74.0 -31.5 40.2 7.9 59.0 8 8 A R H X S+ 0 0 103 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.912 109.6 44.4 -58.7 -40.1 43.4 8.1 61.1 9 9 A I H < S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.8 43.0 -68.9 -44.3 45.2 8.5 57.7 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.845 124.2 34.3 -71.2 -31.4 42.8 11.0 56.3 11 11 A E H < S- 0 0 37 -4,-3.0 19,-0.4 1,-0.2 -3,-0.2 0.649 92.7-151.3-100.9 -17.9 42.4 13.1 59.4 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.205 21.7 -90.1 76.4-176.3 45.9 13.0 61.0 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.948 44.9 165.6-140.4 121.1 46.6 13.4 64.7 14 14 A R E -A 28 0A 144 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.999 23.0-159.9-138.2 135.5 47.2 16.7 66.4 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.471 74.4 61.1-101.5 -0.0 47.1 17.3 70.1 16 16 A K E S-C 57 0B 147 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.896 100.7 -85.4-119.0 153.4 46.6 21.1 70.1 17 17 A I E + 0 0 31 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.318 58.4 166.2 -55.0 131.7 43.7 23.0 68.6 18 18 A Y E -A 26 0A 28 8,-2.6 8,-3.1 6,-0.1 2,-0.4 -0.882 38.2-100.5-138.6 171.4 44.2 23.6 64.9 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.833 34.9-139.9-100.0 133.6 42.1 24.8 61.9 20 20 A D > - 0 0 45 4,-2.5 3,-2.2 -2,-0.4 -1,-0.1 -0.015 42.8 -76.3 -78.2-172.4 40.8 22.1 59.5 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.744 134.6 49.9 -63.7 -22.1 40.7 22.4 55.7 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.377 123.3-102.7 -95.7 4.1 37.6 24.6 56.0 23 23 A G S < S+ 0 0 39 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.573 75.7 141.2 88.8 14.0 39.3 26.9 58.6 24 24 A Y - 0 0 81 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.733 60.1-103.1-102.8 139.7 37.4 25.4 61.6 25 25 A Y E +A 19 0A 37 9,-0.4 8,-2.8 11,-0.4 9,-1.3 -0.322 54.7 159.6 -61.0 128.1 38.8 24.8 65.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.6 6,-0.3 2,-0.3 -0.899 19.1-169.1-140.9 163.0 39.5 21.1 65.4 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.3 -2,-0.3 2,-0.2 -0.979 50.9 6.0-150.5 166.6 41.6 18.8 67.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.9 -0.456 123.1 -8.3 74.0-132.6 42.7 15.2 67.8 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.688 129.1 -51.1-103.6 74.5 41.8 12.9 64.9 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.831 83.1 162.8 67.0 30.0 39.5 15.3 63.0 31 31 A H E < -B 27 0A 29 -4,-2.3 -4,-1.9 -20,-0.1 2,-0.3 -0.705 31.6-143.7 -80.7 104.8 37.3 16.2 66.0 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.533 18.0-174.9 -67.0 126.9 35.5 19.4 64.9 33 33 A L - 0 0 10 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.879 57.7 -37.9 -91.0 -44.5 35.1 21.7 67.9 34 34 A T - 0 0 28 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.969 35.5-128.1-170.4 160.4 33.0 24.5 66.5 35 35 A K S S+ 0 0 117 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.395 75.5 114.2 -97.5 2.4 32.5 26.6 63.4 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.451 70.6-135.1 -73.3 146.2 32.8 29.7 65.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.506 75.9 104.6 -78.4 3.5 35.8 31.9 64.7 38 38 A S > - 0 0 46 1,-0.2 4,-2.0 2,-0.1 3,-0.4 -0.755 57.0-160.5 -90.6 116.6 36.4 32.3 68.5 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.827 96.1 57.6 -56.4 -32.5 39.3 30.3 69.8 40 40 A N H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 104.2 49.6 -68.8 -37.7 37.7 30.8 73.3 41 41 A A H > S+ 0 0 35 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.899 111.0 51.1 -63.0 -39.7 34.5 29.1 72.1 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 108.2 51.1 -66.2 -39.8 36.6 26.3 70.7 43 43 A K H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.905 108.4 52.6 -64.0 -37.2 38.4 25.8 74.0 44 44 A S H X S+ 0 0 75 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 108.6 49.2 -65.1 -43.1 35.1 25.7 75.8 45 45 A E H X S+ 0 0 72 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.901 111.2 51.7 -59.7 -41.3 33.8 23.0 73.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.922 108.0 48.7 -64.0 -45.3 37.0 21.1 74.1 47 47 A D H X>S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 5,-0.9 0.880 113.4 49.7 -61.4 -36.4 36.9 21.2 77.9 48 48 A K H <5S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.4 48.2 -66.4 -40.9 33.2 20.1 77.7 49 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 120.9 35.7 -68.5 -35.8 34.1 17.2 75.4 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.695 102.2-125.3 -93.5 -26.9 37.0 16.0 77.5 51 51 A G T <5S+ 0 0 68 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.702 78.8 68.6 90.9 17.3 35.6 16.7 81.0 52 52 A R S - 0 0 8 -2,-1.0 3,-1.5 -11,-0.3 -1,-0.2 0.633 33.7-140.9 -95.8 -14.7 42.5 21.5 78.9 55 55 A N T 3 S- 0 0 116 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.829 75.2 -54.2 49.0 35.1 43.7 25.0 77.8 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.547 118.5 100.6 88.7 6.1 43.6 23.7 74.2 57 57 A V B < +C 16 0B 71 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.993 42.5 174.4-130.7 132.6 45.9 20.7 74.7 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.819 28.8-107.1-130.1 172.7 44.9 17.0 75.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.488 32.1-109.4 -94.1 165.8 46.7 13.7 75.3 60 60 A K H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 121.1 53.3 -61.5 -39.3 46.9 10.9 72.6 61 61 A D H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 109.4 48.6 -61.1 -44.0 44.5 8.8 74.7 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 110.3 51.4 -59.9 -44.1 42.0 11.6 74.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.930 110.4 48.5 -57.9 -44.3 42.3 12.1 71.2 64 64 A E H X S+ 0 0 85 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.852 107.7 56.1 -67.8 -31.3 41.6 8.5 70.6 65 65 A K H X S+ 0 0 136 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.958 109.6 44.1 -65.8 -46.4 38.7 8.6 72.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.900 112.4 55.0 -63.0 -36.2 37.0 11.4 71.0 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.925 106.3 49.2 -64.2 -44.7 37.8 9.6 67.8 68 68 A N H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.911 112.8 48.3 -61.0 -40.0 36.1 6.4 68.9 69 69 A Q H X S+ 0 0 96 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.903 111.7 50.3 -63.1 -41.8 33.0 8.4 69.9 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.857 111.0 47.6 -68.7 -38.1 33.0 10.2 66.6 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.954 113.8 47.4 -64.0 -49.6 33.3 7.0 64.5 72 72 A D H X S+ 0 0 81 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.946 112.0 50.5 -55.6 -48.6 30.5 5.3 66.5 73 73 A A H X S+ 0 0 63 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.913 108.1 53.0 -60.2 -38.0 28.3 8.4 66.2 74 74 A A H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.962 113.3 43.3 -61.0 -49.9 28.9 8.5 62.4 75 75 A V H X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.958 113.7 48.2 -61.6 -50.1 27.8 4.9 62.0 76 76 A R H X S+ 0 0 127 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.853 110.9 55.2 -62.0 -26.6 24.8 5.2 64.3 77 77 A G H < S+ 0 0 11 -4,-2.0 3,-0.4 -5,-0.3 4,-0.3 0.896 105.9 50.1 -65.8 -46.8 23.9 8.3 62.4 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 7,-0.5 0.933 109.4 51.8 -54.1 -49.5 23.9 6.5 59.1 79 79 A L H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.702 110.9 47.4 -69.8 -19.4 21.7 3.8 60.6 80 80 A R T 3< S+ 0 0 192 -4,-1.0 2,-0.6 -3,-0.4 -1,-0.3 0.393 93.8 93.3 -95.5 -0.4 19.1 6.3 61.8 81 81 A N <> - 0 0 23 -3,-1.6 4,-3.1 -4,-0.3 3,-0.4 -0.858 64.7-152.1-104.3 119.6 19.1 8.2 58.5 82 82 A A T 4 S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.1 0.671 96.8 46.0 -62.5 -20.5 16.4 7.1 56.0 83 83 A K T 4 S+ 0 0 126 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.787 120.3 37.2 -91.0 -26.8 18.5 8.2 53.0 84 84 A L T > S+ 0 0 0 -3,-0.4 4,-2.7 -6,-0.2 5,-0.2 0.859 101.0 68.6 -92.9 -36.4 21.7 6.6 54.2 85 85 A K H X S+ 0 0 86 -4,-3.1 4,-3.1 -7,-0.5 5,-0.2 0.906 97.7 51.0 -57.2 -46.1 20.7 3.3 55.9 86 86 A P H > S+ 0 0 64 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.929 114.1 44.1 -63.0 -38.5 19.5 1.4 52.8 87 87 A V H >> S+ 0 0 6 -4,-0.5 4,-0.8 -3,-0.2 3,-0.6 0.958 114.1 50.4 -66.0 -46.3 22.6 2.2 50.8 88 88 A Y H >< S+ 0 0 32 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.928 110.5 49.4 -52.6 -50.7 24.8 1.4 53.8 89 89 A D H 3< S+ 0 0 73 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.759 106.9 56.5 -63.5 -24.6 23.1 -1.9 54.4 90 90 A S H << S+ 0 0 33 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.638 96.4 88.3 -79.5 -16.4 23.4 -2.8 50.7 91 91 A L S << S- 0 0 6 -3,-1.5 2,-0.1 -4,-0.8 31,-0.0 -0.451 77.2-116.7 -89.4 156.3 27.2 -2.4 50.8 92 92 A D > - 0 0 54 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.315 45.0 -95.7 -71.6 165.7 30.1 -4.7 51.7 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.805 121.9 52.4 -60.8 -30.1 32.3 -3.9 54.7 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 112.6 42.5 -74.5 -45.8 34.9 -2.0 52.7 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.860 107.9 61.9 -72.0 -28.6 32.5 0.3 50.9 96 96 A R H X S+ 0 0 77 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.921 101.9 52.4 -55.2 -43.2 30.7 0.7 54.2 97 97 A A H X S+ 0 0 5 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.910 105.4 54.5 -63.1 -40.5 33.9 2.2 55.5 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.905 109.0 47.9 -56.0 -40.6 34.0 4.6 52.6 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.921 110.8 50.7 -71.9 -39.4 30.5 5.8 53.4 100 100 A I H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.913 107.4 54.9 -59.3 -42.3 31.4 6.3 57.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.935 107.6 49.0 -59.3 -46.1 34.4 8.3 56.1 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-3.3 1,-0.2 5,-0.4 0.930 112.3 48.1 -60.0 -42.5 32.3 10.7 54.0 103 103 A V H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.902 109.3 53.1 -67.2 -36.1 29.8 11.2 56.9 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.916 115.9 40.7 -61.5 -42.9 32.7 11.8 59.3 105 105 A Q H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.936 133.7 14.5 -74.8 -47.1 34.1 14.5 57.1 106 106 A M H X S- 0 0 53 -4,-3.3 4,-0.8 -5,-0.2 -3,-0.2 0.451 103.4-111.8-117.6 1.5 30.9 16.3 55.9 107 107 A G H X - 0 0 31 -4,-2.0 4,-2.4 -5,-0.4 5,-0.2 0.106 35.2 -78.2 83.7 153.1 28.1 15.2 58.1 108 108 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 128.7 53.8 -54.9 -43.5 25.0 13.1 57.5 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.949 107.1 48.6 -62.6 -53.4 23.3 16.0 55.9 110 110 A G H < S+ 0 0 32 -4,-0.8 4,-0.2 1,-0.2 -2,-0.2 0.914 115.6 45.8 -55.0 -41.5 26.0 16.7 53.4 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.912 104.4 58.8 -74.3 -37.9 26.2 13.0 52.4 112 112 A A H 3< S+ 0 0 13 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.881 96.9 65.7 -54.0 -34.2 22.5 12.5 52.1 113 113 A G T 3< S+ 0 0 63 -4,-1.6 2,-1.0 1,-0.3 3,-0.4 0.694 80.5 79.2 -63.9 -12.5 22.6 15.2 49.5 114 114 A F <> + 0 0 37 -3,-2.5 4,-3.0 -4,-0.2 3,-0.3 -0.147 57.3 143.0 -85.6 43.0 24.7 12.9 47.3 115 115 A C H > + 0 0 55 -2,-1.0 4,-2.3 -3,-0.3 -1,-0.2 0.850 64.6 52.5 -61.3 -31.4 21.5 11.2 46.3 116 116 A N H > S+ 0 0 121 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.945 113.6 44.0 -70.9 -37.9 22.4 10.6 42.7 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.889 111.3 54.4 -69.4 -38.3 25.7 9.0 43.8 118 118 A L H X S+ 0 0 10 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.915 106.0 51.9 -61.6 -42.1 23.9 7.0 46.5 119 119 A A H X S+ 0 0 49 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.924 109.3 49.8 -61.3 -41.1 21.5 5.5 44.0 120 120 A M H <>S+ 0 0 44 -4,-1.6 5,-2.5 1,-0.2 4,-0.3 0.914 111.8 49.0 -65.1 -40.2 24.3 4.4 41.8 121 121 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.935 107.6 53.6 -61.9 -43.7 26.0 2.8 44.8 122 122 A Q H 3<5S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.8 48.9 -57.4 -34.5 22.7 1.1 45.7 123 123 A Q T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.418 111.7-123.6 -83.4 -3.9 22.7 -0.3 42.2 124 124 A K T < 5 + 0 0 100 -3,-1.8 2,-1.3 -4,-0.3 -3,-0.2 0.783 62.5 145.3 60.0 33.1 26.3 -1.5 42.4 125 125 A R >< + 0 0 122 -5,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.707 22.7 173.1 -93.1 76.5 27.2 0.7 39.3 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.838 67.6 45.4 -67.4 -38.4 30.6 1.3 40.8 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 115.6 47.4 -71.5 -42.1 32.4 3.2 38.0 128 128 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 111.1 52.3 -63.6 -40.3 29.3 5.4 37.3 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.947 108.3 51.4 -60.4 -45.3 29.1 6.1 41.1 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.918 108.8 50.2 -59.9 -43.4 32.7 7.1 41.1 131 131 A V H < S+ 0 0 87 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.932 113.3 45.9 -60.9 -39.9 32.3 9.5 38.3 132 132 A N H >< S+ 0 0 38 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.906 105.9 59.3 -72.5 -35.5 29.3 11.1 39.9 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.807 100.4 57.6 -60.8 -31.9 31.0 11.4 43.3 134 134 A A T 3< S+ 0 0 28 -4,-1.2 2,-2.0 -3,-0.3 -1,-0.3 0.616 84.1 83.3 -77.5 -12.7 33.7 13.5 41.8 135 135 A K S < S+ 0 0 158 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.472 80.7 97.5 -88.4 71.6 31.3 16.1 40.5 136 136 A S S > S- 0 0 14 -2,-2.0 4,-2.0 1,-0.1 5,-0.2 -0.998 85.2-117.2-156.1 150.2 31.2 17.8 43.9 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.910 115.5 62.2 -52.8 -44.0 32.5 20.6 46.0 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.925 105.3 43.6 -49.0 -50.4 33.9 17.9 48.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.3 50.2 -62.7 -44.0 36.2 16.5 45.4 140 140 A N H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 116.2 40.1 -65.9 -35.8 37.3 20.0 44.3 141 141 A Q H < S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.839 133.6 20.5 -87.6 -30.5 38.3 21.1 47.8 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.540 74.7 158.1-129.3 67.4 39.9 17.9 49.1 143 143 A P H > + 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.851 70.0 52.5 -65.8 -35.1 40.7 16.0 45.9 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.941 116.1 40.1 -70.3 -42.0 43.4 13.7 47.2 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 115.4 51.6 -67.7 -42.6 41.2 12.5 50.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.908 106.3 55.5 -63.1 -37.7 38.2 12.3 47.9 147 147 A K H X S+ 0 0 98 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.901 108.0 49.1 -60.0 -39.3 40.1 10.3 45.3 148 148 A R H X S+ 0 0 54 -4,-1.5 4,-1.8 2,-0.2 12,-0.2 0.938 113.6 44.6 -66.7 -43.6 41.0 7.7 48.0 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 114.0 50.4 -68.6 -40.6 37.4 7.4 49.2 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.9 -5,-0.2 -1,-0.2 0.909 108.0 52.8 -65.9 -37.5 36.1 7.2 45.6 151 151 A T H X S+ 0 0 37 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.881 107.8 52.9 -59.8 -38.0 38.7 4.5 44.8 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.926 111.6 44.3 -65.6 -44.5 37.4 2.6 47.8 153 153 A F H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 115.2 49.9 -66.7 -36.8 33.8 2.8 46.5 154 154 A R H < S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.897 126.2 22.0 -69.1 -39.4 34.9 1.9 43.0 155 155 A T H < S- 0 0 39 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.653 85.8-134.7-100.8 -25.2 37.0 -1.1 43.8 156 156 A G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.4 -62,-0.2 0.754 73.9 108.0 67.6 22.8 35.7 -2.4 47.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.793 79.3-124.0-120.7 168.2 39.4 -2.7 48.1 158 158 A W >> + 0 0 51 -2,-0.3 3,-2.4 1,-0.2 4,-1.4 0.134 69.3 124.2 -95.0 21.0 41.8 -0.8 50.3 159 159 A D T 34 + 0 0 81 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.815 68.4 55.9 -56.0 -31.4 44.2 -0.2 47.5 160 160 A A T 34 S+ 0 0 22 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.632 113.4 41.0 -76.0 -12.6 44.2 3.6 48.0 161 161 A Y T <4 S+ 0 0 1 -3,-2.4 3,-0.4 -13,-0.1 -2,-0.2 0.502 91.7 89.2-113.1 -13.7 45.2 3.3 51.6 162 162 A K S < S+ 0 0 104 -4,-1.4 0, 0.0 1,-0.2 0, 0.0 -0.523 86.4 36.5 -82.0 161.0 47.8 0.6 51.7 163 163 A N 0 0 153 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.940 360.0 360.0 62.9 42.8 51.4 1.8 51.2 164 164 A L 0 0 142 -3,-0.4 -1,-0.3 0, 0.0 -3,-0.1 -0.943 360.0 360.0-167.5 360.0 50.3 4.9 53.2