==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-91 1L74 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR X.ZHANG,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8598.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 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 2 1 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 78 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 148.6 44.0 -1.9 8.9 2 2 A N > - 0 0 68 95,-0.0 4,-2.4 1,-0.0 5,-0.2 -0.843 360.0 -89.0-138.5 175.8 40.9 -0.8 10.8 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.849 123.8 50.6 -57.3 -38.6 38.7 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 112.1 45.9 -65.9 -44.9 40.8 3.7 14.1 5 5 A E H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.893 113.2 51.5 -66.4 -37.4 44.1 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 113.4 41.7 -61.8 -53.5 42.4 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.850 109.4 59.4 -69.3 -31.4 41.0 7.9 10.8 8 8 A R H X S+ 0 0 109 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.913 108.6 46.1 -63.7 -35.4 44.3 8.4 12.7 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.944 116.4 44.0 -68.9 -44.7 46.0 8.7 9.3 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 126.4 29.6 -68.4 -35.9 43.4 11.1 7.9 11 11 A E H < S- 0 0 44 -4,-3.0 19,-0.4 -5,-0.1 -3,-0.2 0.721 91.1-151.7-100.1 -25.6 43.2 13.3 11.0 12 12 A G < - 0 0 22 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.1 -0.164 25.0 -90.1 76.8-179.2 46.6 13.1 12.7 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 42.2 171.9-135.0 121.2 47.1 13.5 16.4 14 14 A R E -A 28 0A 140 14,-2.0 14,-2.3 -2,-0.4 4,-0.1 -1.000 20.0-161.3-132.4 134.1 47.8 16.9 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.405 74.7 62.6 -93.7 -2.4 47.8 17.3 22.0 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.893 101.0 -84.8-121.6 151.3 47.3 21.1 21.9 17 17 A I E + 0 0 18 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.234 59.0 168.5 -52.1 137.3 44.4 23.1 20.6 18 18 A Y E -A 26 0A 26 8,-2.8 8,-2.8 -4,-0.1 2,-0.4 -0.924 36.4-103.9-145.8 169.1 44.8 23.7 16.9 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.861 32.7-140.6-102.2 134.1 42.7 24.9 13.9 20 20 A D > - 0 0 48 4,-2.8 3,-1.8 -2,-0.4 -1,-0.1 -0.036 43.4 -76.0 -77.1-171.4 41.3 22.4 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 133.6 47.2 -61.0 -27.8 41.2 22.8 7.7 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.321 124.9 -98.7 -93.3 3.1 38.2 25.2 8.0 23 23 A G S < S+ 0 0 36 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.553 76.1 143.2 93.2 9.6 39.8 27.3 10.7 24 24 A Y - 0 0 76 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.659 57.7-104.9 -93.2 144.6 37.9 25.6 13.6 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.0 11,-0.4 9,-1.5 -0.429 54.0 158.1 -65.8 126.1 39.3 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.8 6,-0.3 2,-0.3 -0.877 20.2-166.1-142.4 166.1 40.0 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.0 -2,-0.3 2,-0.2 -0.965 51.0 2.2-155.1 162.5 42.2 18.9 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.3 -14,-2.0 -2,-0.3 2,-0.8 -0.453 122.5 -6.2 68.2-128.3 43.4 15.3 19.5 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -2,-0.2 -16,-0.1 -0.760 128.6 -50.6-103.8 76.8 42.4 13.1 16.6 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.795 84.7 159.4 66.4 27.8 40.0 15.4 14.7 31 31 A H E < -B 27 0A 31 -4,-2.0 -4,-1.4 1,-0.0 -1,-0.2 -0.697 33.5-143.7 -87.2 99.9 37.9 16.3 17.8 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.366 20.1-178.5 -63.9 130.1 36.1 19.5 16.9 33 33 A L E - 0 0 14 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.892 59.2 -24.1 -95.3 -50.8 35.8 21.8 19.9 34 34 A T E -B 25 0A 26 -9,-1.5 -9,-0.7 2,-0.1 -1,-0.4 -0.984 34.9-140.2-159.4 156.3 33.8 24.8 18.6 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.564 73.6 115.8 -90.8 -14.1 33.1 26.7 15.4 36 36 A S S S- 0 0 37 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.214 72.6-132.6 -60.3 138.7 33.5 29.9 17.4 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.643 77.6 104.2 -67.3 -11.4 36.2 32.3 16.7 38 38 A S > - 0 0 45 1,-0.2 4,-1.9 2,-0.0 3,-0.3 -0.628 56.3-162.6 -85.5 121.2 37.1 32.4 20.3 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.769 97.1 55.6 -65.9 -24.2 40.0 30.6 21.8 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.862 104.0 52.1 -76.5 -33.1 38.4 31.0 25.2 41 41 A A H > S+ 0 0 30 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.916 109.6 51.2 -65.2 -39.3 35.4 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.930 109.5 48.4 -62.3 -49.8 37.6 26.5 22.7 43 43 A K H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 11,-0.3 0.877 110.9 51.6 -59.2 -39.1 39.4 26.1 26.1 44 44 A S H X S+ 0 0 75 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.930 109.7 49.4 -65.3 -42.4 36.1 26.1 27.9 45 45 A E H X S+ 0 0 62 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.915 110.6 51.3 -60.7 -43.7 34.7 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.926 108.4 49.1 -61.5 -47.4 37.8 21.3 26.2 47 47 A D H X>S+ 0 0 35 -4,-2.4 4,-2.7 1,-0.2 5,-0.6 0.896 113.6 48.3 -59.9 -40.6 37.7 21.5 30.0 48 48 A K H <5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.1 46.9 -64.7 -41.7 34.0 20.5 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.870 121.1 36.9 -70.2 -33.9 34.7 17.6 27.5 50 50 A I H <5S- 0 0 37 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.783 99.6-127.7 -89.4 -33.9 37.8 16.3 29.6 51 51 A G T <5S+ 0 0 69 -4,-2.7 2,-0.3 1,-0.4 -3,-0.2 0.618 78.4 73.0 95.9 10.3 36.5 17.0 33.1 52 52 A R S - 0 0 10 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.640 34.4-141.3 -93.9 -21.1 43.5 21.5 30.8 55 55 A N T 3 S- 0 0 118 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.925 74.4 -53.6 54.1 46.7 44.5 25.0 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.555 118.8 98.9 67.4 14.7 44.4 23.8 26.0 57 57 A V B < +C 16 0B 66 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.990 45.3 179.3-134.9 139.0 46.6 20.8 26.4 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.821 26.6-109.6-131.4 168.1 45.7 17.1 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.439 33.7-106.6 -91.2 171.2 47.4 13.8 27.2 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 121.0 52.9 -64.7 -40.1 47.6 11.0 24.6 61 61 A D H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 108.3 50.4 -60.4 -43.6 45.2 8.9 26.7 62 62 A E H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 109.1 51.4 -63.3 -39.3 42.8 11.7 26.8 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.897 110.7 48.9 -65.6 -37.2 43.0 12.1 23.0 64 64 A E H X S+ 0 0 80 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.823 107.4 54.5 -72.4 -30.6 42.3 8.4 22.6 65 65 A K H X S+ 0 0 136 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.930 109.5 47.1 -67.9 -44.6 39.3 8.6 24.9 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.915 112.1 52.5 -60.1 -39.8 37.8 11.4 22.9 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.941 107.0 50.7 -62.6 -49.0 38.5 9.3 19.7 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.930 112.9 47.1 -54.9 -43.7 36.8 6.2 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.929 112.3 49.5 -62.0 -46.4 33.7 8.3 21.9 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.870 111.7 46.6 -61.5 -43.2 33.7 10.0 18.5 71 71 A V H X S+ 0 0 7 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.908 114.3 48.9 -66.3 -43.5 34.0 6.8 16.5 72 72 A D H X S+ 0 0 86 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.922 111.4 49.7 -60.5 -47.0 31.2 5.1 18.7 73 73 A A H X S+ 0 0 46 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.897 110.2 50.8 -60.7 -38.8 29.0 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.943 112.2 46.0 -64.9 -46.6 29.6 8.1 14.5 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.922 115.0 46.2 -62.6 -45.2 28.7 4.4 14.2 76 76 A R H X S+ 0 0 121 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.917 110.4 54.7 -65.9 -37.3 25.6 4.7 16.4 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-1.1 -5,-0.3 3,-0.3 0.899 107.2 49.6 -60.5 -42.5 24.5 7.8 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 7,-0.3 0.944 110.6 50.8 -60.3 -45.0 24.7 5.8 11.2 79 79 A L H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.694 112.1 46.5 -68.6 -21.4 22.6 3.0 12.7 80 80 A R H 3< S+ 0 0 176 -4,-1.3 2,-0.5 -3,-0.3 -1,-0.3 0.588 92.6 96.2 -92.6 -19.4 20.0 5.4 13.9 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.3 0.825 100.7 68.9 -91.9 -35.5 22.3 6.0 6.2 85 85 A K H X S+ 0 0 80 -4,-2.7 4,-2.8 -7,-0.3 5,-0.2 0.890 97.6 49.7 -51.9 -51.8 21.4 2.7 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.863 112.0 50.2 -59.4 -34.4 20.2 0.8 4.8 87 87 A V H >> S+ 0 0 2 -4,-0.4 4,-1.1 -3,-0.3 3,-0.6 0.972 111.8 47.2 -68.1 -49.6 23.4 1.8 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.938 110.0 53.4 -53.4 -49.0 25.6 0.7 5.8 89 89 A D H 3< S+ 0 0 79 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.810 108.3 51.3 -57.5 -32.3 23.7 -2.6 6.1 90 90 A S H << S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.683 95.8 89.4 -80.8 -18.9 24.3 -3.3 2.3 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-1.1 31,-0.0 -0.430 74.1-119.8 -86.1 157.8 28.0 -2.7 2.3 92 92 A D > - 0 0 58 -2,-0.1 4,-1.7 1,-0.0 -1,-0.1 -0.274 45.3 -89.4 -78.7 173.0 30.9 -5.1 2.9 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.872 121.6 46.9 -52.7 -51.7 33.4 -4.4 5.8 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.2 62,-0.2 3,-0.3 0.939 113.4 48.3 -62.0 -46.0 35.9 -2.2 4.1 95 95 A R H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.814 103.8 61.6 -65.1 -30.9 33.4 0.0 2.5 96 96 A R H X S+ 0 0 79 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.927 101.6 53.5 -61.6 -39.6 31.5 0.4 5.8 97 97 A C H X S+ 0 0 19 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.858 102.7 57.1 -61.1 -37.1 34.7 1.9 7.2 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.5 47.2 -59.0 -41.4 34.6 4.5 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.877 109.6 51.6 -68.2 -40.9 31.2 5.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.931 108.2 54.1 -64.3 -38.5 32.1 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 109.4 47.0 -57.2 -48.2 35.1 8.0 7.9 102 102 A M H X S+ 0 0 9 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.917 113.0 48.1 -59.3 -48.8 32.8 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 108.9 54.7 -61.3 -40.5 30.3 10.7 8.9 104 104 A F H < S+ 0 0 30 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.931 116.2 38.3 -56.9 -47.1 33.2 11.3 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 134.0 16.8 -71.7 -48.9 34.4 14.3 9.2 106 106 A M H X S- 0 0 53 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.438 101.5-117.9-113.0 1.1 31.1 15.9 8.0 107 107 A G H X - 0 0 31 -4,-2.2 4,-2.0 -5,-0.4 5,-0.2 0.119 36.4 -73.5 80.0 156.1 28.5 14.6 10.3 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 129.3 51.9 -55.3 -47.2 25.4 12.5 9.5 109 109 A T H > S+ 0 0 125 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.879 108.7 50.4 -60.9 -44.3 23.5 15.4 7.9 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-1.2 2,-0.2 -2,-0.2 0.958 113.1 45.0 -60.4 -52.5 26.3 16.2 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.0 3,-2.1 1,-0.3 -2,-0.2 0.852 106.4 59.3 -59.1 -40.6 26.7 12.6 4.4 112 112 A A H 3< S+ 0 0 15 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.747 93.7 70.3 -64.6 -16.1 23.0 12.2 4.0 113 113 A G T << S+ 0 0 56 -3,-1.2 2,-1.6 -4,-0.7 -1,-0.3 0.646 76.7 81.7 -72.1 -15.2 23.3 15.1 1.6 114 114 A F <> + 0 0 38 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.363 58.0 160.6 -89.7 59.2 25.1 12.9 -0.9 115 115 A T H > + 0 0 90 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.868 69.0 41.3 -45.8 -55.3 21.9 11.5 -2.2 116 116 A N H > S+ 0 0 96 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 113.5 52.2 -64.9 -46.8 23.0 10.1 -5.5 117 117 A S H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 110.6 50.1 -54.5 -44.4 26.3 8.7 -4.2 118 118 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.921 110.3 49.1 -64.3 -43.5 24.4 6.8 -1.5 119 119 A R H X S+ 0 0 119 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.925 111.9 49.0 -59.6 -45.3 22.0 5.4 -4.0 120 120 A M H <>S+ 0 0 30 -4,-2.7 5,-2.6 2,-0.2 4,-0.2 0.903 110.3 51.1 -64.1 -41.4 24.9 4.2 -6.2 121 121 A L H ><5S+ 0 0 5 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.935 108.3 51.9 -62.1 -46.3 26.6 2.6 -3.2 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.3 47.5 -60.7 -30.8 23.4 0.8 -2.4 123 123 A Q T 3<5S- 0 0 94 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.380 113.5-119.1 -89.3 3.3 23.2 -0.5 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.6 2,-0.9 -4,-0.2 -3,-0.2 0.835 64.5 144.9 62.2 36.5 26.9 -1.5 -5.9 125 125 A R >< + 0 0 128 -5,-2.6 4,-2.2 1,-0.2 5,-0.2 -0.777 22.2 176.4-106.0 78.0 27.8 0.8 -8.8 126 126 A W H > S+ 0 0 54 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.865 71.7 45.7 -56.0 -49.5 31.2 1.6 -7.5 127 127 A D H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 114.1 49.3 -64.6 -39.3 32.6 3.8 -10.3 128 128 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.898 110.1 50.8 -68.0 -38.3 29.4 5.8 -10.5 129 129 A A H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 111.1 49.7 -64.3 -40.5 29.3 6.4 -6.7 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.877 109.9 50.2 -65.3 -38.8 32.9 7.6 -6.9 131 131 A A H < S+ 0 0 48 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.849 111.7 47.6 -72.5 -32.2 32.2 9.9 -9.7 132 132 A A H >< S+ 0 0 25 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.890 108.7 52.6 -75.2 -40.7 29.3 11.5 -8.0 133 133 A A H 3< S+ 0 0 5 -4,-2.2 6,-0.4 1,-0.2 -1,-0.2 0.791 100.4 63.7 -64.2 -29.4 31.0 12.0 -4.6 134 134 A A T 3< S+ 0 0 28 -4,-1.2 2,-1.6 1,-0.2 -1,-0.2 0.676 84.7 78.1 -70.8 -17.3 33.9 13.8 -6.4 135 135 A K S < S+ 0 0 169 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 -0.557 81.9 98.7 -88.5 67.9 31.5 16.5 -7.5 136 136 A S S > S- 0 0 19 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.994 84.7-116.8-151.4 159.5 31.4 18.2 -4.1 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.914 115.3 62.7 -58.6 -41.5 32.8 20.9 -2.0 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.932 105.5 43.8 -47.8 -51.2 34.2 18.1 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.1 48.2 -66.1 -41.1 36.4 16.8 -2.6 140 140 A N H < S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 115.5 44.8 -70.9 -29.4 37.6 20.4 -3.7 141 141 A Q H < S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 131.5 16.5 -83.7 -38.2 38.4 21.4 -0.1 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 -0.557 73.7 163.4-132.5 69.2 40.3 18.3 1.0 143 143 A P H > S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.850 70.5 52.0 -59.7 -41.2 41.1 16.4 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.941 115.1 42.1 -65.2 -43.5 43.8 14.0 -0.9 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.952 115.7 50.2 -62.4 -51.4 41.6 12.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 -8,-0.2 5,-0.2 0.908 108.9 51.9 -53.4 -47.5 38.6 12.6 -0.3 147 147 A K H X S+ 0 0 87 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.893 108.8 50.7 -60.4 -39.7 40.5 10.6 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.947 114.3 43.5 -62.6 -45.6 41.6 8.1 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.918 114.9 49.5 -66.2 -41.3 38.0 7.6 1.0 150 150 A I H X S+ 0 0 16 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.898 108.8 51.8 -64.3 -41.2 36.6 7.5 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.5 4,-2.9 -5,-0.2 5,-0.4 0.877 106.5 55.2 -61.9 -39.0 39.1 4.9 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.900 110.8 44.7 -61.0 -42.2 38.2 2.8 -0.6 153 153 A F H < S+ 0 0 10 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.851 114.1 51.6 -66.5 -39.0 34.5 2.9 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.950 124.8 20.2 -66.3 -50.7 35.6 2.2 -5.3 155 155 A T H < S- 0 0 45 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.711 86.4-132.5 -95.7 -27.4 37.8 -0.9 -4.7 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.746 73.8 104.0 77.3 22.0 36.7 -2.3 -1.3 157 157 A T S S- 0 0 46 -6,-0.3 -1,-0.3 -5,-0.2 3,-0.3 -0.773 79.1-122.0-129.1 172.0 40.4 -2.5 -0.3 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.8 1,-0.2 4,-0.6 0.201 70.9 121.4 -98.9 12.8 42.7 -0.5 1.9 159 159 A D G >4 + 0 0 102 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.818 67.8 58.6 -46.1 -39.0 45.2 0.2 -0.9 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.677 108.6 46.1 -69.0 -16.7 44.8 3.9 -0.5 161 161 A Y G <4 0 0 20 -3,-2.8 -1,-0.3 -13,-0.1 -2,-0.2 0.324 360.0 360.0-106.7 1.6 46.0 3.7 3.0 162 162 A K << 0 0 169 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.739 360.0 360.0-112.3 360.0 48.9 1.4 2.5