==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CU5 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 75.3 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 . 9 5.6 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 . 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 1 0 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 79 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.4 43.5 -1.6 9.2 2 2 A N > - 0 0 70 95,-0.0 4,-2.0 1,-0.0 3,-0.4 -0.892 360.0 -81.7-155.1 175.2 40.2 -0.7 10.8 3 3 A I H > S+ 0 0 25 1,-0.3 4,-3.2 -2,-0.3 5,-0.3 0.879 124.8 54.2 -60.1 -35.2 38.2 2.5 11.3 4 4 A F H > S+ 0 0 76 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.896 113.1 39.6 -61.0 -55.9 40.3 3.6 14.1 5 5 A E H > S+ 0 0 95 -3,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.709 113.8 57.5 -62.6 -31.4 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.970 111.5 38.1 -72.4 -48.5 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.727 108.7 64.9 -66.4 -26.7 40.8 8.0 10.7 8 8 A R H X S+ 0 0 106 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.2 0.857 106.6 44.6 -66.5 -28.0 43.9 8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.925 114.7 46.0 -79.2 -43.6 45.6 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.846 124.7 31.5 -66.5 -36.5 43.2 11.0 8.0 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.655 92.0-150.4 -95.0 -32.5 42.9 13.3 11.0 12 12 A G < - 0 0 21 -4,-1.3 2,-0.4 -5,-0.3 -1,-0.1 -0.161 25.3 -88.3 83.7 178.5 46.3 13.1 12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.959 43.1 173.5-132.1 121.5 46.7 13.6 16.5 14 14 A R E -A 28 0A 126 14,-2.2 14,-2.9 -2,-0.4 4,-0.1 -0.987 19.8-164.7-129.4 129.9 47.3 17.0 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.450 73.6 65.1 -89.9 -1.9 47.4 17.7 21.9 16 16 A K E S-C 57 0B 100 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.889 99.8 -89.2-115.3 147.9 46.9 21.5 21.7 17 17 A I E + 0 0 18 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.295 58.0 176.4 -52.0 141.1 43.8 23.3 20.5 18 18 A Y E -A 26 0A 24 8,-3.6 8,-3.4 -4,-0.1 2,-0.5 -0.897 33.4-108.4-144.3 165.8 44.2 23.8 16.8 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.839 34.7-140.2 -95.1 136.2 42.3 25.2 13.9 20 20 A D > - 0 0 51 4,-3.0 3,-2.7 -2,-0.5 -1,-0.0 -0.179 40.0 -79.7 -80.2-172.5 41.0 22.6 11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 136.0 46.1 -56.7 -27.5 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.210 125.6-104.3 -91.9 -2.8 37.8 25.1 7.8 23 23 A G S < S+ 0 0 34 -3,-2.7 2,-0.3 1,-0.2 -2,-0.1 0.602 72.5 144.1 85.0 22.9 39.4 27.2 10.5 24 24 A Y - 0 0 67 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.2 -0.708 58.0-100.1 -95.7 154.3 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.1 11,-0.5 9,-1.2 -0.397 55.7 158.5 -69.5 125.4 38.8 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.4 -8,-3.6 6,-0.3 2,-0.3 -0.936 20.0-168.0-138.4 172.3 39.7 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-2.2 4,-1.6 -2,-0.3 2,-0.4 -0.987 52.3 0.2-155.5 161.8 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.9 -14,-2.2 -2,-0.3 2,-0.8 -0.469 122.3 -2.5 70.1-125.6 43.1 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.4 -17,-0.1 -0.661 126.3 -55.0-106.8 74.7 42.0 13.3 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-0.8 -19,-0.4 -2,-0.2 0.721 84.2 159.6 64.7 28.1 39.7 15.5 14.7 31 31 A H E < -B 27 0A 32 -4,-1.6 -4,-2.2 1,-0.0 -1,-0.2 -0.668 34.5-140.3 -86.8 111.2 37.5 16.3 17.6 32 32 A L E -B 26 0A 73 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.435 18.8-174.3 -72.8 127.5 35.7 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.941 56.7 -34.2 -88.0 -52.8 35.3 21.8 19.6 34 34 A T E -B 25 0A 27 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.4 -0.965 33.6-131.4-161.8 158.1 33.2 24.6 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.483 75.6 110.7 -92.6 -5.9 32.4 26.6 15.4 36 36 A S - 0 0 47 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.308 69.8-135.2 -65.0 156.2 32.7 29.8 17.4 37 37 A P S S+ 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.569 74.4 105.6 -83.7 -15.3 35.7 32.1 16.6 38 38 A S > - 0 0 44 1,-0.2 4,-1.7 -13,-0.0 5,-0.2 -0.622 60.7-154.6 -75.4 125.7 36.3 32.6 20.2 39 39 A L H > S+ 0 0 66 -2,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.684 97.0 54.9 -67.2 -18.9 39.3 30.8 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-3.8 3,-0.2 -1,-0.2 0.890 101.1 54.6 -78.3 -47.2 37.6 30.9 25.0 41 41 A A H > S+ 0 0 32 1,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.914 110.4 49.6 -51.2 -38.8 34.5 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.3 0.833 110.0 49.7 -66.6 -38.0 36.8 26.5 22.7 43 43 A K H X S+ 0 0 55 -4,-1.2 4,-2.5 2,-0.2 5,-0.3 0.958 110.9 49.7 -69.8 -42.8 38.5 26.4 25.9 44 44 A S H X S+ 0 0 73 -4,-3.8 4,-2.5 2,-0.2 5,-0.3 0.961 110.9 48.8 -53.6 -52.7 35.3 26.2 27.7 45 45 A E H X S+ 0 0 68 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.919 110.6 54.2 -58.5 -41.4 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.904 107.3 46.0 -62.3 -40.8 37.2 21.6 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 5,-1.2 0.897 112.6 52.0 -74.2 -30.1 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 145 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.858 110.6 48.2 -63.2 -42.3 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.907 120.3 37.2 -67.5 -33.5 34.5 17.7 27.3 50 50 A I H <5S- 0 0 35 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.671 103.0-125.6 -92.2 -21.3 37.4 16.5 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.771 77.2 64.1 83.3 21.8 35.9 17.1 32.9 52 52 A R S - 0 0 10 -2,-0.7 3,-1.3 -11,-0.2 -1,-0.2 0.658 33.4-147.0-101.3 -34.2 42.8 21.9 30.7 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.855 74.7 -54.8 59.0 39.7 44.0 25.3 29.7 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.4 -13,-0.2 2,-0.4 0.423 118.9 96.9 76.6 1.7 44.0 24.1 25.9 57 57 A V B < +C 16 0B 65 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.939 44.7 170.4-125.4 148.2 46.1 21.1 26.4 58 58 A I - 0 0 6 -43,-1.8 2,-0.2 -2,-0.4 -30,-0.1 -0.937 28.7-106.2-145.0 167.6 45.3 17.3 27.0 59 59 A T > - 0 0 64 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.476 32.6-105.1 -95.7 178.0 47.0 14.0 27.1 60 60 A K H > S+ 0 0 108 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.927 121.1 51.1 -67.5 -40.7 47.1 11.1 24.7 61 61 A D H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.898 110.2 48.7 -60.7 -44.4 44.9 9.1 26.7 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.956 112.8 48.8 -64.1 -50.9 42.4 11.9 26.9 63 63 A A H X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.3 -34,-0.4 0.896 111.5 49.9 -51.5 -47.7 42.6 12.4 23.2 64 64 A E H X S+ 0 0 72 -4,-3.7 4,-2.2 2,-0.2 -1,-0.3 0.827 108.3 53.2 -64.8 -34.5 42.2 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-2.2 4,-2.0 -5,-0.3 5,-0.2 0.965 108.4 47.4 -72.4 -41.9 39.2 8.7 24.8 66 66 A L H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.897 109.0 59.3 -58.3 -32.0 37.5 11.5 22.9 67 67 A F H X S+ 0 0 15 -4,-1.9 4,-2.2 -5,-0.3 5,-0.3 0.955 105.4 45.5 -67.0 -41.0 38.4 9.5 19.9 68 68 A N H X S+ 0 0 92 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.925 112.3 51.2 -61.5 -43.6 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 94 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.940 110.3 51.2 -58.3 -42.2 33.4 8.4 22.0 70 70 A D H X S+ 0 0 35 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.871 109.7 46.3 -67.6 -41.5 33.5 10.0 18.6 71 71 A V H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.934 113.0 51.6 -66.0 -47.0 33.7 6.9 16.6 72 72 A D H X S+ 0 0 78 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.964 109.1 49.4 -51.3 -49.9 30.9 5.4 18.7 73 73 A A H X S+ 0 0 50 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.915 109.1 53.3 -57.5 -44.4 28.7 8.4 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.961 108.9 48.8 -55.2 -51.8 29.3 8.3 14.4 75 75 A V H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.926 113.8 45.7 -55.2 -46.8 28.2 4.7 14.1 76 76 A R H X S+ 0 0 104 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.914 107.9 57.1 -70.9 -30.0 25.1 5.3 16.1 77 77 A G H X S+ 0 0 4 -4,-3.1 4,-0.7 -5,-0.3 3,-0.3 0.963 107.8 49.5 -60.5 -50.3 24.4 8.4 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 7,-0.3 0.937 110.9 48.5 -53.1 -47.4 24.5 6.2 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 110.3 50.9 -71.4 -22.2 22.2 3.6 12.6 80 80 A R H 3< S+ 0 0 186 -4,-1.9 2,-0.6 -3,-0.3 -1,-0.3 0.505 92.4 94.1 -84.8 -13.1 19.7 6.0 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 5,-0.3 0.814 99.0 70.2 -88.5 -43.2 22.1 6.1 6.0 85 85 A K H X S+ 0 0 87 -4,-3.0 4,-3.2 -7,-0.3 5,-0.2 0.890 99.7 48.4 -46.9 -46.4 21.3 2.8 7.8 86 86 A P H > S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.929 110.6 51.5 -63.5 -39.0 20.3 1.0 4.7 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-0.6 -3,-0.3 -2,-0.2 0.985 113.9 43.8 -62.6 -44.0 23.3 2.1 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.881 110.9 54.7 -63.3 -46.4 25.4 0.9 5.6 89 89 A D H 3< S+ 0 0 68 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.906 105.1 55.3 -60.2 -32.5 23.5 -2.3 6.0 90 90 A S H 3< S+ 0 0 41 -4,-2.6 -1,-0.3 -5,-0.2 2,-0.3 0.538 98.5 79.6 -72.8 -20.5 23.9 -3.1 2.4 91 91 A M S << S- 0 0 7 -3,-1.2 31,-0.0 -4,-0.6 30,-0.0 -0.704 74.8-111.6 -94.9 164.3 27.8 -2.9 2.4 92 92 A D > - 0 0 55 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.158 45.3 -88.7 -78.0 173.7 30.8 -5.0 3.4 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.840 121.0 45.9 -55.0 -46.2 33.1 -4.2 6.2 94 94 A V H >> S+ 0 0 24 1,-0.2 4,-1.7 62,-0.2 3,-0.5 0.943 113.0 47.8 -66.4 -49.6 35.6 -2.1 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.836 106.5 59.4 -61.4 -31.0 33.1 0.0 2.6 96 96 A R H 3X S+ 0 0 78 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.912 102.2 53.9 -58.0 -38.9 31.3 0.5 5.9 97 97 A A H S+ 0 0 53 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.875 126.1 50.4 -65.8 -42.9 25.3 12.6 9.5 109 109 A T H > S+ 0 0 114 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.920 108.9 51.0 -67.3 -39.6 23.3 15.4 8.1 110 110 A G H >< S+ 0 0 36 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.976 115.5 42.7 -64.6 -44.5 26.1 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.8 3,-2.5 1,-0.2 -2,-0.2 0.892 102.7 65.8 -70.1 -35.8 26.4 12.9 4.5 112 112 A A H 3< S+ 0 0 12 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 94.0 65.4 -57.9 -24.9 22.6 12.3 4.3 113 113 A G T << S+ 0 0 58 -4,-1.2 2,-1.2 -3,-0.8 3,-0.3 0.535 73.8 86.3 -74.3 -7.7 22.6 14.9 1.5 114 114 A F X> + 0 0 40 -3,-2.5 4,-3.0 1,-0.2 3,-0.5 -0.248 58.5 155.9 -85.5 50.3 24.7 12.9 -1.0 115 115 A T H 3> + 0 0 87 -2,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.818 64.4 43.9 -39.7 -64.2 21.5 11.3 -2.0 116 116 A N H 3> S+ 0 0 92 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.852 114.0 49.4 -57.3 -41.4 22.4 10.2 -5.4 117 117 A S H <> S+ 0 0 1 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.938 110.4 53.0 -67.2 -35.6 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 11 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.910 105.4 53.4 -62.9 -40.7 24.2 7.0 -1.6 119 119 A R H X S+ 0 0 129 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.965 111.8 46.6 -62.1 -36.0 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 25 -4,-2.0 5,-2.6 2,-0.2 -1,-0.3 0.818 109.3 51.3 -70.5 -43.5 24.6 4.2 -6.1 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.934 110.0 52.3 -59.6 -47.7 26.6 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.876 110.0 47.6 -58.2 -37.1 23.6 1.0 -2.3 123 123 A Q T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.429 113.3-118.7 -82.2 -2.3 23.2 -0.4 -5.6 124 124 A K T < 5 + 0 0 103 -3,-2.4 2,-1.4 1,-0.2 -3,-0.2 0.685 62.6 147.1 71.3 34.5 26.8 -1.4 -5.8 125 125 A R >< + 0 0 111 -5,-2.6 4,-2.6 1,-0.2 5,-0.2 -0.687 22.1 174.6 -97.3 78.3 27.6 0.8 -8.8 126 126 A W H > + 0 0 49 -2,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.910 67.9 42.1 -57.9 -54.0 31.1 1.5 -7.6 127 127 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 115.4 51.1 -65.8 -38.1 32.7 3.5 -10.3 128 128 A E H > S+ 0 0 110 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.926 109.5 49.3 -67.6 -44.0 29.7 5.6 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 -1,-0.3 0.874 108.0 54.4 -58.1 -41.5 29.4 6.4 -7.2 130 130 A A H X S+ 0 0 13 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.933 109.3 48.2 -64.8 -37.8 33.0 7.4 -7.1 131 131 A V H >X S+ 0 0 89 -4,-2.3 4,-0.6 1,-0.2 3,-0.6 0.961 114.2 46.4 -63.5 -48.0 32.5 9.7 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.906 106.4 57.2 -64.5 -38.7 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.5 6,-0.4 -5,-0.3 -1,-0.2 0.856 100.0 60.8 -62.2 -27.6 31.1 11.6 -4.9 134 134 A A H << S+ 0 0 27 -4,-1.2 2,-1.9 -3,-0.6 -1,-0.2 0.676 83.2 80.6 -70.4 -22.5 33.9 13.7 -6.5 135 135 A K S << S+ 0 0 166 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.478 80.2 102.9 -86.6 71.4 31.4 16.4 -7.7 136 136 A S S > S- 0 0 15 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.994 83.0-123.2-155.2 146.2 31.4 17.9 -4.2 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.835 112.9 63.4 -52.7 -44.8 32.7 20.7 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.928 104.5 44.2 -47.4 -51.7 34.1 18.0 -0.0 139 139 A Y H 4 S+ 0 0 64 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 114.5 49.6 -63.9 -45.7 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.5 42.2 -65.0 -32.3 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.913 132.6 19.2 -82.8 -38.1 38.3 21.3 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 -0.642 75.7 161.2-128.7 64.8 40.1 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.813 66.7 51.7 -57.7 -41.6 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 121 2,-0.2 4,-1.6 3,-0.1 -5,-0.1 0.907 115.8 41.9 -69.7 -33.6 43.6 13.9 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.941 114.0 53.0 -74.0 -46.7 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 5,-0.2 0.942 107.3 51.6 -55.5 -41.0 38.5 12.5 -0.3 147 147 A K H X S+ 0 0 83 -4,-2.7 4,-2.4 1,-0.2 -1,-0.3 0.895 108.0 53.9 -62.2 -40.6 40.5 10.4 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.957 112.2 41.0 -56.6 -52.0 41.4 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 114.4 54.1 -60.8 -40.2 37.8 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.883 107.1 48.3 -59.7 -52.0 36.6 7.3 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-3.0 -5,-0.2 6,-0.4 0.785 107.3 57.9 -57.3 -33.4 38.9 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.2 5,-0.3 0.962 108.2 44.8 -67.2 -41.1 38.0 2.8 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.9 50.7 -62.2 -41.0 34.3 2.8 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.953 122.7 24.7 -63.6 -51.8 35.5 1.9 -5.2 155 155 A T H < S- 0 0 50 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.517 85.2-136.0 -91.7 -13.5 37.7 -1.1 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.2 2,-0.3 1,-0.2 -62,-0.2 0.708 75.8 100.7 57.8 17.1 36.4 -2.5 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.2 -0.806 81.6-121.3-121.7 175.7 40.0 -2.7 -0.1 158 158 A W >> + 0 0 42 -2,-0.3 3,-2.9 1,-0.2 4,-0.6 0.196 69.0 123.2 -93.3 14.7 42.4 -0.6 2.1 159 159 A D G >4 + 0 0 91 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.826 67.7 58.7 -48.1 -36.5 44.9 -0.0 -0.7 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.588 108.2 49.5 -69.4 -14.0 44.7 3.8 -0.4 161 161 A Y G <4 0 0 20 -3,-2.9 -1,-0.3 -13,-0.1 -2,-0.2 0.458 360.0 360.0-106.6 -3.2 45.8 3.4 3.1 162 162 A K << 0 0 184 -3,-1.6 -2,-0.1 -4,-0.6 -3,-0.1 0.669 360.0 360.0-103.4 360.0 48.8 1.1 2.5