==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-02 1LPY . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.M.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) . 8691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 0 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 X 0 0 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.9 42.5 -1.9 8.6 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.934 360.0 -80.5-156.2 173.7 39.3 -0.6 10.2 3 3 A I H > S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.824 126.0 53.3 -52.9 -36.8 37.3 2.6 10.6 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.951 111.9 41.6 -66.9 -49.5 39.6 3.7 13.5 5 5 A E H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 114.8 54.3 -64.1 -37.8 42.8 3.2 11.6 6 6 A X H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.930 112.2 41.2 -61.5 -49.6 41.3 4.8 8.5 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.755 109.3 59.9 -73.0 -22.4 40.2 7.9 10.2 8 8 A R H X S+ 0 0 99 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.904 109.2 45.2 -71.8 -39.0 43.4 8.1 12.1 9 9 A I H < S+ 0 0 91 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.962 118.1 40.9 -67.2 -51.5 45.1 8.3 8.9 10 10 A D H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.828 123.8 36.5 -66.3 -29.1 42.7 10.8 7.4 11 11 A E H < S- 0 0 36 -4,-2.4 19,-0.5 -5,-0.2 -3,-0.2 0.666 90.8-155.2-100.6 -19.8 42.3 13.1 10.4 12 12 A G < - 0 0 26 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.128 23.8 -83.1 72.7-176.3 45.8 13.0 12.0 13 13 A L + 0 0 48 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.951 42.2 172.0-137.9 117.7 46.5 13.7 15.7 14 14 A R E -A 28 0A 116 14,-1.8 14,-1.9 -2,-0.4 4,-0.1 -0.968 16.7-168.1-125.2 134.5 46.8 17.0 17.4 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.8 12,-0.2 2,-0.4 0.481 72.7 59.5-102.8 2.4 47.1 17.6 21.1 16 16 A K E S-C 57 0B 86 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.964 96.5 -93.0-129.3 144.8 46.6 21.3 21.1 17 17 A I E + 0 0 12 39,-2.0 2,-0.3 -2,-0.4 10,-0.2 -0.250 52.0 171.7 -56.0 127.9 43.7 23.3 19.8 18 18 A Y E -A 26 0A 46 8,-2.7 8,-2.9 6,-0.1 2,-0.4 -0.902 35.7-110.6-135.6 165.0 44.1 24.4 16.3 19 19 A K E -A 25 0A 113 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.840 37.7-140.2 -95.9 130.6 42.0 26.1 13.6 20 20 A D > - 0 0 50 4,-2.5 3,-3.1 -2,-0.4 -1,-0.1 -0.062 39.0 -73.3 -79.5-170.8 41.1 23.8 10.7 21 21 A T T 3 S+ 0 0 102 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.677 136.1 44.1 -54.2 -20.2 40.9 24.4 7.0 22 22 A E T 3 S- 0 0 60 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.226 123.9-102.9-107.9 6.0 37.7 26.3 7.5 23 23 A G S < S+ 0 0 28 -3,-3.1 2,-0.3 1,-0.2 -2,-0.1 0.575 74.3 139.7 87.0 5.4 39.1 28.2 10.4 24 24 A Y - 0 0 66 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.2 -0.660 57.6-105.7 -96.5 144.0 37.3 26.2 13.1 25 25 A Y E +AB 19 34A 25 9,-0.6 8,-3.0 11,-0.5 9,-1.3 -0.353 50.6 161.9 -63.3 130.8 38.8 25.2 16.4 26 26 A T E -AB 18 32A 6 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.920 16.3-173.1-145.0 164.5 39.5 21.6 16.6 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.4 -2,-0.3 -12,-0.2 -0.974 47.3 3.4-155.6 166.9 41.6 19.1 18.5 28 28 A G E 4 S-A 14 0A 0 -14,-1.9 -14,-1.8 -2,-0.3 2,-1.0 -0.314 119.3 -4.6 62.5-130.2 42.7 15.5 18.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.711 130.1 -49.7-101.8 78.6 41.7 13.2 15.9 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-0.9 -19,-0.5 -2,-0.2 0.778 86.0 161.7 65.8 31.4 39.5 15.4 13.9 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.9 -20,-0.1 2,-0.3 -0.684 31.2-145.7 -92.1 100.2 37.4 16.6 16.9 32 32 A L E -B 26 0A 77 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.522 16.8-175.9 -65.4 123.1 35.5 19.8 16.0 33 33 A L E - 0 0 14 -8,-3.0 2,-0.3 1,-0.3 -7,-0.2 0.933 55.9 -35.0 -86.8 -53.3 35.3 22.0 19.1 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.987 31.9-131.1-165.0 162.6 33.3 24.8 17.9 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.456 74.8 114.6 -97.2 -1.1 32.4 27.1 15.0 36 36 A S - 0 0 37 1,-0.2 -11,-0.5 2,-0.1 -2,-0.1 -0.370 67.7-140.7 -66.7 142.2 32.8 30.0 17.2 37 37 A P S S+ 0 0 104 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.406 75.7 103.6 -85.3 6.4 35.7 32.3 16.3 38 38 A S > - 0 0 50 1,-0.2 4,-2.5 2,-0.0 3,-0.5 -0.758 59.8-159.3 -97.6 115.7 36.3 32.6 19.9 39 39 A L H > S+ 0 0 51 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.861 92.6 50.8 -57.9 -39.9 39.2 30.7 21.3 40 40 A N H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 106.4 55.1 -71.7 -26.2 38.1 30.7 24.9 41 41 A A H > S+ 0 0 32 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 0.975 109.2 49.7 -61.9 -50.0 34.7 29.5 23.8 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.859 108.7 50.9 -57.7 -35.9 36.7 26.7 22.2 43 43 A K H X S+ 0 0 41 -4,-2.2 4,-2.7 2,-0.2 11,-0.3 0.883 108.2 52.9 -71.9 -32.7 38.6 26.1 25.4 44 44 A S H X S+ 0 0 71 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.957 109.8 48.1 -64.3 -45.7 35.3 25.9 27.3 45 45 A E H X S+ 0 0 63 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.924 110.7 52.4 -59.8 -45.9 34.0 23.3 24.9 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.4 0.942 107.8 49.3 -60.3 -40.9 37.2 21.4 25.2 47 47 A D H X>S+ 0 0 36 -4,-2.7 4,-2.9 1,-0.2 5,-0.9 0.911 112.0 50.3 -64.2 -34.7 37.1 21.3 29.0 48 48 A K H <5S+ 0 0 152 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.881 110.9 50.1 -67.5 -37.4 33.5 20.1 28.8 49 49 A A H <5S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 121.6 31.2 -64.4 -48.3 34.5 17.4 26.3 50 50 A I H <5S- 0 0 38 -4,-2.7 -2,-0.2 2,-0.3 -1,-0.2 0.735 104.1-125.3 -89.6 -26.8 37.3 16.1 28.4 51 51 A G T <5S+ 0 0 65 -4,-2.9 2,-0.3 -5,-0.4 -3,-0.2 0.748 78.0 71.2 90.2 23.6 35.8 16.9 31.8 52 52 A R S - 0 0 12 -2,-0.6 3,-1.1 -11,-0.3 -1,-0.1 0.644 37.7-141.4-109.9 -17.3 42.7 22.0 30.2 55 55 A N T 3 S- 0 0 114 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.874 77.0 -54.3 55.2 34.1 43.8 25.3 28.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.535 113.7 98.6 81.1 8.6 43.9 23.8 25.1 57 57 A V B < +C 16 0B 75 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.990 42.8 175.3-132.6 135.0 46.1 20.8 25.5 58 58 A I - 0 0 3 -43,-2.8 2,-0.2 -2,-0.4 -30,-0.1 -0.806 29.8-106.7-128.9 171.7 45.2 17.2 26.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.507 32.0-111.5 -92.6 162.9 46.9 13.9 26.2 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.915 119.5 54.1 -62.6 -36.4 46.9 11.3 23.5 61 61 A D H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 109.0 48.8 -65.9 -35.0 44.9 9.0 25.6 62 62 A E H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 110.5 52.2 -64.0 -42.7 42.3 11.8 26.0 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.917 109.5 47.9 -59.3 -43.8 42.4 12.3 22.3 64 64 A E H X S+ 0 0 76 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.862 108.5 55.3 -68.4 -29.6 41.7 8.7 21.6 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.941 108.9 46.3 -68.3 -44.1 38.9 8.7 24.1 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.899 110.2 55.7 -63.1 -36.9 37.2 11.5 22.3 67 67 A F H X S+ 0 0 12 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.927 105.1 50.0 -63.5 -43.9 37.8 9.8 19.0 68 68 A N H X S+ 0 0 84 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.919 111.3 50.1 -62.0 -36.9 36.1 6.6 20.1 69 69 A Q H X S+ 0 0 85 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.899 110.6 50.4 -64.4 -38.4 33.1 8.7 21.3 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.843 109.3 49.9 -69.4 -33.3 33.1 10.4 18.0 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.917 112.2 48.1 -72.2 -40.3 33.2 7.2 16.0 72 72 A D H X S+ 0 0 76 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.933 108.7 53.9 -64.5 -45.5 30.3 5.9 18.0 73 73 A A H X S+ 0 0 61 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.929 106.4 53.7 -53.5 -46.1 28.4 9.0 17.5 74 74 A A H X S+ 0 0 7 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.919 111.4 42.6 -58.9 -44.2 28.8 8.8 13.8 75 75 A V H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.924 110.7 56.5 -72.4 -37.1 27.4 5.3 13.5 76 76 A R H X S+ 0 0 115 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.933 107.5 49.5 -57.3 -38.6 24.7 6.0 15.9 77 77 A G H X S+ 0 0 23 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.899 109.0 49.2 -69.8 -38.2 23.7 8.8 13.7 78 78 A I H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 7,-0.5 0.965 112.4 50.6 -61.0 -50.2 23.6 6.9 10.4 79 79 A L H 3< S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.738 109.4 51.0 -62.8 -21.1 21.6 4.2 12.2 80 80 A R H 3< S+ 0 0 217 -4,-1.2 2,-0.6 -5,-0.3 -1,-0.3 0.601 88.8 93.1 -94.0 -10.2 19.1 6.7 13.4 81 81 A N S S+ 0 0 139 2,-0.1 4,-1.0 1,-0.1 -1,-0.2 0.875 117.4 46.8 -86.4 -40.1 17.1 6.8 5.0 84 84 A X H > S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.868 98.5 69.8 -71.2 -38.6 20.8 6.0 5.9 85 85 A K H X S+ 0 0 84 -4,-2.6 4,-3.0 -7,-0.5 5,-0.3 0.930 102.7 40.6 -47.2 -55.9 20.1 3.0 8.1 86 86 A P H > S+ 0 0 63 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.921 113.4 56.8 -65.2 -35.3 18.9 0.7 5.4 87 87 A X H < S+ 0 0 5 -4,-1.0 3,-0.4 1,-0.2 4,-0.4 0.970 112.5 40.5 -57.7 -46.9 21.6 2.0 3.1 88 88 A Y H >< S+ 0 0 27 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.890 110.1 57.1 -67.6 -41.7 24.3 1.1 5.6 89 89 A D H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.811 104.7 54.9 -62.1 -24.6 22.8 -2.1 6.6 90 90 A S T 3< S+ 0 0 73 -4,-1.5 -1,-0.3 -3,-0.4 2,-0.2 0.575 94.9 88.6 -84.6 -9.2 23.0 -3.1 3.0 91 91 A X S < S- 0 0 10 -3,-1.5 2,-0.0 -4,-0.4 -3,-0.0 -0.561 77.6-114.8 -94.1 156.4 26.7 -2.5 2.6 92 92 A D > - 0 0 62 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.265 44.2 -94.0 -76.4 171.5 29.6 -4.7 3.2 93 93 A A H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.791 121.1 50.1 -62.6 -33.0 32.0 -3.7 6.0 94 94 A V H > S+ 0 0 22 62,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.957 114.3 45.4 -70.4 -47.2 34.5 -1.7 4.0 95 95 A R H > S+ 0 0 35 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.877 108.7 55.6 -62.7 -38.6 31.8 0.4 2.5 96 96 A R H X S+ 0 0 77 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.899 105.7 52.9 -61.1 -37.0 30.1 0.8 5.7 97 97 A A H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.903 105.3 55.5 -61.5 -39.7 33.5 2.2 7.0 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.924 108.6 46.9 -55.8 -45.9 33.5 4.6 4.1 99 99 A X H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.912 110.5 51.7 -66.1 -40.8 30.1 5.9 5.2 100 100 A X H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.907 108.0 53.3 -61.6 -39.0 31.2 6.2 8.8 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.967 110.8 46.6 -56.4 -52.7 34.2 8.2 7.5 102 102 A X H X>S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.931 113.4 47.5 -56.8 -46.8 31.9 10.6 5.7 103 103 A X H X5S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.915 111.1 51.7 -59.6 -49.2 29.5 11.1 8.6 104 104 A F H <5S+ 0 0 30 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.905 115.6 41.1 -55.0 -46.0 32.3 11.6 11.0 105 105 A Q H <5S+ 0 0 58 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 131.2 16.3 -73.6 -44.2 33.8 14.3 8.8 106 106 A X H X5S- 0 0 34 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.678 95.3-128.8-110.1 -15.3 30.8 16.3 7.6 107 107 A G H X< - 0 0 28 -4,-2.4 4,-2.4 -5,-0.5 5,-0.1 -0.016 35.8 -65.1 86.7 157.9 27.8 15.4 9.7 108 108 A E H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.903 124.5 53.1 -52.5 -55.8 24.2 14.3 9.0 109 109 A T H >4 S+ 0 0 126 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.900 114.0 39.5 -51.8 -55.4 23.0 17.3 7.3 110 110 A R H >< S+ 0 0 121 -4,-0.6 3,-1.7 1,-0.2 -1,-0.2 0.859 109.9 63.5 -64.7 -32.9 25.8 17.6 4.7 111 111 A X H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.840 91.2 64.3 -60.9 -30.8 25.7 13.8 4.4 112 112 A A G X< S+ 0 0 59 -4,-1.8 3,-1.6 -3,-0.6 -1,-0.3 0.711 85.5 74.1 -64.7 -18.5 22.2 14.0 3.1 113 113 A G G < S+ 0 0 62 -3,-1.7 3,-0.3 -4,-0.4 -1,-0.3 0.664 91.3 59.7 -66.9 -15.4 23.5 15.9 0.1 114 114 A F G X> + 0 0 18 -3,-1.9 4,-1.9 -4,-0.2 3,-0.6 0.249 66.6 110.1 -99.5 9.3 24.9 12.6 -1.1 115 115 A T H <> S+ 0 0 76 -3,-1.6 4,-2.4 1,-0.2 5,-0.3 0.877 74.1 57.3 -55.5 -38.0 21.7 10.6 -1.3 116 116 A N H 3> S+ 0 0 93 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.922 107.7 49.3 -59.4 -39.8 21.7 10.5 -5.1 117 117 A S H <> S+ 0 0 0 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.840 110.3 50.9 -60.0 -42.9 25.1 8.8 -5.0 118 118 A X H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.898 108.1 49.4 -68.9 -38.9 24.0 6.3 -2.5 119 119 A R H X S+ 0 0 104 -4,-2.4 4,-2.9 1,-0.2 6,-0.2 0.930 106.3 58.5 -65.6 -40.6 20.9 5.3 -4.4 120 120 A X H <>S+ 0 0 18 -4,-2.1 5,-3.0 -5,-0.3 -1,-0.2 0.877 108.0 46.4 -55.9 -37.3 23.2 4.9 -7.4 121 121 A X H ><5S+ 0 0 3 -4,-1.4 3,-2.5 3,-0.2 -1,-0.2 0.890 104.9 58.4 -72.7 -35.8 25.2 2.4 -5.3 122 122 A Q H 3<5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.967 108.1 50.7 -53.3 -44.9 22.1 0.6 -4.1 123 123 A Q T 3<5S- 0 0 79 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.142 119.3-112.0 -83.7 27.7 21.6 0.1 -7.8 124 124 A K T < 5S+ 0 0 167 -3,-2.5 2,-1.2 1,-0.2 3,-0.2 0.673 75.7 135.9 51.5 20.0 25.1 -1.2 -8.5 125 125 A R >< + 0 0 111 -5,-3.0 4,-2.4 -6,-0.2 5,-0.2 -0.477 25.0 157.7 -91.6 59.0 25.9 2.0 -10.5 126 126 A W H > + 0 0 72 -2,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.842 64.1 40.2 -56.0 -49.8 29.3 2.1 -8.7 127 127 A D H > S+ 0 0 107 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.938 115.5 52.7 -72.9 -40.2 31.4 4.2 -11.0 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 109.9 47.9 -57.8 -44.0 28.6 6.6 -11.7 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.904 112.1 51.9 -62.9 -39.9 28.1 7.1 -7.9 130 130 A A H X S+ 0 0 13 -4,-2.0 4,-1.2 2,-0.2 3,-0.3 0.968 111.0 44.5 -64.1 -50.9 31.8 7.6 -7.6 131 131 A V H < S+ 0 0 91 -4,-3.4 4,-0.5 1,-0.3 3,-0.5 0.896 112.7 54.9 -60.3 -35.5 32.1 10.2 -10.3 132 132 A N H >< S+ 0 0 47 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.3 0.839 102.4 55.1 -64.8 -33.1 29.0 11.8 -8.8 133 133 A X H 3< S+ 0 0 1 -4,-1.8 6,-0.4 -3,-0.3 -1,-0.2 0.798 98.6 62.3 -75.1 -21.5 30.5 12.0 -5.4 134 134 A A T 3< S+ 0 0 29 -4,-1.2 2,-1.6 -3,-0.5 -1,-0.3 0.642 85.8 81.2 -74.2 -14.9 33.5 13.9 -6.7 135 135 A K S < S+ 0 0 171 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.634 81.2 92.8 -91.0 77.2 31.1 16.7 -7.8 136 136 A S S > S- 0 0 22 -2,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.997 86.5-108.4-166.9 159.6 30.9 18.3 -4.5 137 137 A R H > S+ 0 0 125 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.897 115.7 58.2 -58.6 -39.5 32.1 20.8 -2.0 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.961 109.0 41.1 -56.4 -53.3 33.6 18.0 -0.0 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.930 113.6 55.1 -64.8 -42.1 35.8 16.7 -2.7 140 140 A N H < S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.7 43.1 -61.1 -28.9 36.6 20.3 -3.8 141 141 A Q H < S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.956 131.9 15.3 -88.0 -41.3 37.8 21.1 -0.4 142 142 A T S X S+ 0 0 39 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 -0.692 72.4 169.2-128.6 74.8 39.8 18.0 0.6 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 71.9 48.9 -58.6 -43.3 40.4 16.2 -2.6 144 144 A N H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.927 115.4 44.4 -67.4 -40.5 43.0 13.6 -1.5 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 115.5 47.3 -62.3 -51.6 41.0 12.6 1.5 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.929 108.3 56.8 -59.0 -38.6 37.7 12.5 -0.5 147 147 A K H X S+ 0 0 85 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.924 107.7 48.0 -60.5 -40.1 39.4 10.5 -3.2 148 148 A R H X S+ 0 0 63 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.915 113.9 45.8 -63.1 -42.1 40.4 7.9 -0.7 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.927 113.1 50.1 -68.7 -45.1 36.9 7.7 0.8 150 150 A I H X S+ 0 0 14 -4,-3.5 4,-2.6 1,-0.2 5,-0.3 0.935 111.0 48.0 -60.2 -48.2 35.4 7.5 -2.7 151 151 A T H X S+ 0 0 38 -4,-2.9 4,-2.7 -5,-0.3 6,-0.4 0.925 111.0 52.0 -57.5 -41.5 37.7 4.8 -3.8 152 152 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.937 112.5 45.1 -57.4 -50.3 36.9 2.9 -0.6 153 153 A F H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.9 47.5 -62.8 -37.3 33.1 3.2 -1.2 154 154 A R H < S+ 0 0 83 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.898 122.4 30.0 -75.2 -39.9 33.4 2.3 -4.8 155 155 A T H < S- 0 0 38 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.675 84.5-135.2 -96.6 -26.7 35.6 -0.7 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.5 -62,-0.2 -5,-0.3 2,-0.2 0.649 74.3 107.4 77.5 8.9 34.8 -2.3 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.678 75.3-130.1-116.7 173.4 38.6 -2.6 -0.7 158 158 A W > + 0 0 43 -2,-0.2 3,-2.0 1,-0.2 4,-0.2 0.089 68.0 121.2-105.0 23.6 41.2 -0.8 1.4 159 159 A D G > + 0 0 98 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.847 65.0 59.0 -55.9 -38.1 43.5 -0.1 -1.5 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.607 105.8 54.7 -66.9 -7.5 43.5 3.6 -1.1 161 161 A Y G < 0 0 18 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.354 360.0 360.0-111.1 9.0 44.9 3.2 2.3 162 162 A K < 0 0 180 -3,-1.5 -3,-0.1 -4,-0.2 -2,-0.1 0.554 360.0 360.0-131.0 360.0 48.0 1.1 2.0