==== 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 22-AUG-99 1CV3 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.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) . 8609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 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 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.8 43.5 -1.8 9.2 2 2 A N > - 0 0 69 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.923 360.0 -79.9-158.0 176.2 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.834 125.0 52.3 -55.7 -42.2 38.1 2.4 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 113.6 41.3 -63.3 -47.4 40.2 3.6 14.1 5 5 A E H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.840 114.2 55.6 -65.5 -37.3 43.5 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.5 0.966 112.1 39.5 -61.7 -52.5 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.4 0.846 109.4 61.2 -68.7 -26.7 40.6 7.9 10.9 8 8 A R H X S+ 0 0 96 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.870 107.5 46.9 -67.2 -27.1 43.8 8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.933 115.6 43.6 -75.8 -45.8 45.5 8.5 9.5 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.777 125.2 31.1 -69.9 -32.2 43.1 11.0 8.0 11 11 A E H < S- 0 0 45 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.683 90.5-152.3-101.5 -28.1 42.8 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.4 2,-0.3 -5,-0.4 -1,-0.2 -0.256 24.8 -88.5 77.5-173.8 46.1 13.1 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.969 41.6 174.4-139.1 123.6 46.6 13.6 16.6 14 14 A R E -A 28 0A 143 14,-1.5 14,-2.5 -2,-0.3 4,-0.1 -0.999 17.6-164.0-134.4 129.2 47.2 17.0 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.491 74.3 61.0 -93.1 -4.5 47.3 17.6 21.9 16 16 A K E S-C 57 0B 106 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.890 102.3 -85.4-120.1 148.1 46.9 21.3 21.9 17 17 A I E + 0 0 10 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.279 58.5 172.5 -50.6 138.8 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.881 35.0-105.6-143.8 167.6 44.1 23.8 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.857 34.4-140.9 -98.6 132.9 42.1 25.0 13.8 20 20 A D > - 0 0 49 4,-2.9 3,-2.2 -2,-0.5 -1,-0.1 -0.088 42.0 -77.6 -78.1-166.0 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.708 135.6 49.5 -71.0 -16.2 40.9 22.8 7.6 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.325 123.2-104.7 -96.5 -0.4 37.7 25.0 7.9 23 23 A G S < S+ 0 0 37 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.642 75.0 139.6 83.6 19.6 39.4 27.2 10.6 24 24 A Y - 0 0 73 1,-0.0 -4,-2.9 9,-0.0 -1,-0.3 -0.782 60.4-102.6 -99.0 148.2 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 36 9,-0.7 8,-2.7 11,-0.4 9,-1.5 -0.464 53.9 156.9 -72.5 128.8 38.8 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.871 19.5-165.8-141.3 168.6 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 2,-0.2 -0.976 51.7 4.6-155.4 163.9 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.5 -2,-0.3 2,-0.9 -0.410 122.7 -5.1 68.8-127.8 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.658 127.4 -53.4-105.2 73.2 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.759 83.9 159.5 69.2 27.1 39.7 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.6 1,-0.0 -1,-0.2 -0.686 33.2-143.3 -87.0 106.0 37.4 16.3 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.326 19.9-178.5 -63.7 133.1 35.6 19.5 16.8 33 33 A L E - 0 0 17 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.878 59.4 -19.9 -98.1 -46.8 35.1 21.8 19.7 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.971 36.2-141.0-161.2 149.3 33.2 24.7 18.4 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.482 75.4 110.6 -92.9 -0.1 32.4 26.6 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.376 73.6-130.9 -81.9 151.4 32.8 29.7 17.1 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.495 76.3 101.0 -75.0 -6.7 35.7 32.2 16.6 38 38 A S > - 0 0 49 1,-0.1 4,-1.8 -13,-0.0 5,-0.1 -0.756 58.0-158.1 -94.7 126.8 36.4 32.5 20.1 39 39 A L H > S+ 0 0 66 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.810 97.8 54.5 -67.1 -26.5 39.3 30.6 21.7 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.883 103.1 52.6 -72.4 -44.9 37.6 30.9 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 112.6 48.6 -56.7 -37.5 34.5 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.888 109.9 48.7 -70.5 -41.0 36.7 26.6 22.6 43 43 A K H X S+ 0 0 64 -4,-2.6 4,-2.3 2,-0.2 11,-0.2 0.900 111.7 52.0 -65.5 -34.2 38.6 26.2 25.9 44 44 A S H X S+ 0 0 70 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.946 110.2 45.9 -66.3 -48.0 35.3 26.2 27.6 45 45 A E H X S+ 0 0 64 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.901 111.3 55.6 -61.5 -40.1 33.9 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.938 107.7 46.5 -59.4 -45.5 37.1 21.6 25.9 47 47 A D H X>S+ 0 0 31 -4,-2.3 4,-2.5 1,-0.2 5,-1.1 0.909 111.6 50.9 -64.0 -39.4 36.9 21.6 29.7 48 48 A K H <5S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.5 50.0 -63.9 -33.6 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 120.2 33.1 -74.9 -36.9 34.3 17.7 27.4 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.695 102.0-126.6 -91.2 -27.6 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.804 76.1 71.4 84.8 29.0 35.9 17.2 32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.1 -11,-0.2 -1,-0.2 0.707 33.0-142.1 -92.0 -27.2 42.7 21.8 30.8 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.781 71.8 -60.3 65.7 28.2 44.1 25.0 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.588 117.6 98.6 77.8 11.0 43.8 23.9 26.1 57 57 A V B < +C 16 0B 69 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.992 46.5 179.9-128.3 141.9 46.1 20.9 26.4 58 58 A I - 0 0 4 -43,-1.9 2,-0.2 -2,-0.4 -30,-0.1 -0.869 26.3-111.0-133.3 167.1 45.1 17.2 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.501 34.0-102.1 -94.2 176.5 47.0 14.1 27.2 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 122.1 52.8 -59.2 -44.5 47.1 11.1 24.7 61 61 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 108.0 48.0 -56.2 -50.1 44.7 9.2 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 110.7 53.1 -61.4 -42.8 42.1 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -34,-0.4 0.922 110.3 48.1 -57.6 -42.8 42.5 12.4 23.1 64 64 A E H X S+ 0 0 76 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.838 108.1 54.7 -69.9 -28.8 41.8 8.7 22.7 65 65 A K H X S+ 0 0 141 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.953 108.9 46.1 -71.4 -43.6 38.9 8.8 24.9 66 66 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 111.7 55.2 -59.7 -39.3 37.3 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.942 105.8 48.9 -61.9 -48.0 38.1 9.6 19.8 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.935 112.1 49.3 -59.2 -41.3 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.916 111.1 50.2 -62.8 -41.0 33.3 8.4 21.9 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.878 110.7 48.3 -66.3 -36.8 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 3,-0.3 0.965 112.5 49.5 -68.3 -45.1 33.6 6.8 16.6 72 72 A D H X S+ 0 0 81 -4,-2.6 4,-2.6 1,-0.3 5,-0.3 0.923 110.4 50.1 -55.9 -47.1 30.8 5.3 18.6 73 73 A A H X S+ 0 0 51 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.3 0.845 107.0 53.7 -62.1 -36.9 28.6 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.2 0.942 111.3 46.4 -64.4 -46.2 29.1 8.2 14.3 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.962 113.6 47.3 -57.3 -51.9 28.1 4.6 14.1 76 76 A R H X S+ 0 0 112 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.926 109.5 55.3 -61.2 -35.9 25.1 5.1 16.3 77 77 A G H X S+ 0 0 11 -4,-2.7 4,-1.0 -5,-0.3 3,-0.4 0.946 108.6 47.6 -60.3 -46.9 24.2 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 7,-0.4 0.956 109.9 52.7 -58.3 -46.3 24.2 6.1 11.0 79 79 A L H 3< S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.737 112.2 45.2 -66.7 -22.0 22.1 3.4 12.6 80 80 A R H 3< S+ 0 0 171 -4,-1.5 2,-0.6 -3,-0.4 -1,-0.3 0.564 93.1 96.5 -93.4 -15.1 19.5 5.9 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.5 0.865 100.4 66.9 -89.1 -41.0 21.9 6.1 6.1 85 85 A K H X S+ 0 0 83 -4,-3.4 4,-3.1 -7,-0.4 5,-0.2 0.884 98.1 51.6 -50.2 -47.5 21.1 2.9 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.884 111.2 49.5 -63.9 -33.3 20.0 1.0 4.8 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.8 -3,-0.5 3,-0.3 0.952 112.0 47.5 -65.3 -49.4 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.926 109.5 53.7 -57.0 -45.4 25.2 0.9 5.7 89 89 A D H 3< S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 106.4 53.4 -61.7 -30.2 23.4 -2.4 6.1 90 90 A S H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.635 96.1 88.7 -79.1 -16.4 23.9 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.527 74.7-116.7 -86.8 157.2 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.246 43.8 -93.7 -75.0 171.4 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.851 121.6 48.8 -62.6 -40.8 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.5 1,-0.2 3,-0.4 0.945 112.8 47.1 -62.8 -49.2 35.5 -2.3 4.4 95 95 A R H > S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.857 104.9 60.1 -67.2 -30.8 33.0 -0.0 2.7 96 96 A R H X S+ 0 0 77 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.898 101.2 55.7 -61.5 -37.0 31.1 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.915 104.6 53.6 -62.8 -33.7 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.897 108.4 48.7 -66.6 -39.1 34.4 4.4 4.5 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.901 109.8 52.0 -66.8 -36.7 30.9 5.6 5.3 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.953 106.3 54.0 -65.1 -41.5 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.929 108.4 49.7 -57.2 -47.2 34.8 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.920 111.6 47.7 -57.0 -47.1 32.5 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.895 109.5 53.6 -63.4 -37.5 30.0 10.8 8.8 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.907 116.1 40.0 -64.1 -37.1 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 61 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.951 132.6 17.8 -76.6 -50.6 34.1 14.3 9.1 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.487 103.7-111.9-108.8 -6.7 30.9 15.9 7.9 107 107 A G H X - 0 0 27 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.073 35.8 -80.2 86.3 154.6 28.1 14.8 10.2 108 108 A E H > S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.850 129.4 52.4 -61.9 -31.5 25.2 12.6 9.6 109 109 A T H > S+ 0 0 113 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.919 105.8 51.4 -69.6 -51.9 23.4 15.3 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.939 114.3 44.5 -52.4 -53.3 26.1 16.3 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.875 102.8 63.0 -63.6 -41.0 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 94.5 67.2 -59.0 -19.0 22.7 12.1 4.1 113 113 A G T << S+ 0 0 57 -3,-1.0 2,-1.3 -4,-0.8 3,-0.3 0.558 74.8 85.4 -76.4 -11.9 22.7 14.9 1.4 114 114 A F <> + 0 0 39 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 -0.259 57.2 155.3 -85.2 50.9 24.7 12.8 -1.0 115 115 A T H > + 0 0 86 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.841 66.0 44.5 -45.2 -55.8 21.5 11.3 -2.1 116 116 A N H > S+ 0 0 91 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.894 114.4 48.7 -62.9 -40.9 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 109.2 55.0 -64.2 -41.2 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.903 107.5 48.0 -58.5 -45.6 24.1 6.8 -1.6 119 119 A R H X S+ 0 0 121 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.8 52.2 -64.8 -39.1 21.7 5.2 -4.0 120 120 A M H <>S+ 0 0 28 -4,-1.9 5,-2.0 1,-0.2 4,-0.4 0.881 110.0 48.1 -65.8 -40.5 24.6 4.2 -6.2 121 121 A M H ><5S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.932 108.7 53.3 -67.0 -41.0 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.878 110.0 49.8 -57.8 -35.9 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.500 112.6-121.7 -82.3 -5.0 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.7 2,-1.3 -4,-0.4 -3,-0.2 0.734 62.5 144.7 69.3 29.8 26.8 -1.6 -5.8 125 125 A R >< + 0 0 117 -5,-2.0 4,-2.5 1,-0.2 -1,-0.2 -0.686 22.9 173.7 -96.2 76.7 27.6 0.6 -8.8 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.899 67.1 45.5 -60.1 -53.7 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 115.3 49.3 -59.6 -42.3 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 109.6 50.1 -64.0 -43.8 29.7 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.4 2,-0.2 -1,-0.2 0.917 108.4 55.1 -58.8 -39.1 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.924 109.0 46.8 -63.2 -39.6 33.1 7.2 -7.2 131 131 A V H X S+ 0 0 89 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.930 114.0 46.5 -69.4 -44.3 32.5 9.6 -9.9 132 132 A N H >< S+ 0 0 44 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.918 107.7 56.7 -64.0 -42.5 29.5 11.1 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.4 6,-0.4 1,-0.3 -1,-0.2 0.861 100.6 60.1 -56.8 -34.4 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.8 -5,-0.2 -1,-0.3 0.681 85.3 79.4 -69.5 -19.0 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 162 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.520 80.2 97.9 -88.4 71.2 31.5 16.2 -7.6 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.993 83.8-119.4-152.2 154.8 31.3 17.8 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.910 113.7 64.3 -61.0 -41.8 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.949 105.8 43.6 -45.8 -48.5 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.923 114.2 49.2 -67.6 -42.1 36.3 16.5 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 116.6 41.9 -68.5 -32.8 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 132.2 19.3 -80.9 -42.5 38.3 21.2 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.557 74.2 160.3-127.4 71.9 40.0 18.0 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.846 67.7 53.1 -64.2 -40.4 40.9 16.2 -2.1 144 144 A N H > S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.944 115.6 40.4 -66.0 -40.1 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 114.1 53.1 -70.7 -44.1 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -8,-0.2 5,-0.2 0.916 107.1 53.3 -57.7 -40.1 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 95 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.880 107.1 52.6 -61.3 -38.3 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.4 4,-1.3 -5,-0.2 12,-0.2 0.940 113.6 41.2 -62.2 -46.5 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.914 114.4 52.6 -68.2 -42.1 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.911 107.9 50.3 -60.9 -42.1 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.819 107.5 55.8 -63.9 -31.5 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 -1,-0.2 0.900 110.0 43.8 -66.6 -43.5 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.4 50.8 -66.5 -39.4 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 108 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.913 124.5 22.5 -65.9 -45.3 35.4 1.9 -5.3 155 155 A T H < S- 0 0 44 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.611 85.7-134.7-100.1 -22.0 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.702 73.2 101.2 71.5 19.4 36.4 -2.4 -1.3 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.805 80.1-119.3-128.0 175.0 39.9 -2.8 -0.1 158 158 A W S > S+ 0 0 42 -2,-0.3 3,-2.4 1,-0.2 4,-0.4 0.167 71.6 121.1 -95.6 15.4 42.3 -0.8 2.2 159 159 A D G > + 0 0 95 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.790 66.3 60.2 -50.5 -34.9 44.8 -0.1 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.658 105.7 50.8 -70.4 -15.7 44.6 3.7 -0.3 161 161 A Y G < 0 0 19 -3,-2.4 -1,-0.3 -13,-0.1 -2,-0.2 0.461 360.0 360.0-104.6 3.1 45.7 3.4 3.2 162 162 A K < 0 0 181 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.811 360.0 360.0-103.0 360.0 48.8 1.3 2.8