==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 28-JAN-91 1L43 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAOPIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 7.3 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 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 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 68 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.1 37.0 -23.4 8.9 2 2 A N > - 0 0 69 95,-0.0 4,-2.4 92,-0.0 3,-0.2 -0.862 360.0 -83.5-143.9 175.8 34.8 -21.0 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.826 124.0 51.0 -55.1 -42.7 34.5 -17.3 11.4 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 112.1 44.6 -64.8 -45.1 37.1 -17.2 14.1 5 5 A E H > S+ 0 0 93 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.875 113.1 53.1 -66.7 -36.9 39.8 -19.0 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 113.2 41.3 -61.7 -52.6 39.0 -17.0 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.4 0.850 109.6 58.4 -67.8 -33.2 39.4 -13.6 10.9 8 8 A R H X S+ 0 0 104 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.903 107.9 48.4 -62.7 -33.8 42.5 -14.8 12.7 9 9 A I H < S+ 0 0 54 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.987 116.3 42.2 -68.6 -48.3 44.1 -15.4 9.3 10 10 A D H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 124.8 31.7 -67.3 -34.3 43.1 -12.0 7.9 11 11 A E H < S- 0 0 43 -4,-2.3 19,-0.3 -5,-0.2 -1,-0.2 0.714 90.5-148.0-100.5 -28.7 43.9 -10.0 11.0 12 12 A G < - 0 0 24 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.220 21.9 -90.7 86.3 176.8 46.8 -11.6 12.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.976 42.6 171.5-133.3 124.4 47.5 -11.6 16.5 14 14 A R E -A 28 0A 112 14,-1.3 14,-1.9 -2,-0.4 4,-0.1 -0.998 19.7-164.5-135.7 133.5 49.6 -8.9 18.1 15 15 A L E S+ 0 0 56 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.373 74.0 63.0 -98.8 1.6 50.0 -8.5 21.9 16 16 A E E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.941 101.0 -86.7-126.4 146.2 51.4 -5.0 21.8 17 17 A I E + 0 0 28 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.202 58.7 170.6 -48.8 135.6 49.7 -1.8 20.5 18 18 A Y E -A 26 0A 22 8,-2.8 8,-3.1 -4,-0.1 2,-0.5 -0.888 35.6-105.7-143.1 170.7 50.3 -1.5 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.911 32.9-139.5-103.4 132.7 49.2 0.5 13.9 20 20 A D > - 0 0 45 4,-3.5 3,-2.1 -2,-0.5 -1,-0.1 -0.063 41.4 -80.1 -74.9-173.5 46.8 -1.1 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.787 133.6 49.3 -61.9 -28.1 47.0 -0.7 7.7 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.350 123.6-103.9 -91.0 -0.4 45.3 2.7 7.9 23 23 A G S < S+ 0 0 33 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.506 74.6 139.3 88.6 12.8 47.7 3.8 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-3.5 -5,-0.0 -1,-0.3 -0.659 60.9 -99.9 -93.6 153.9 45.3 3.5 13.5 25 25 A Y E +AB 19 34A 28 9,-0.8 8,-2.7 11,-0.4 9,-1.2 -0.459 53.3 164.3 -69.2 120.8 46.2 2.1 17.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.8 -2,-0.2 2,-0.3 -0.857 18.6-165.7-135.8 163.2 45.1 -1.5 17.2 27 27 A I E > - B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 -12,-0.2 -0.960 52.9 -6.6-149.4 160.6 45.7 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-1.9 -14,-1.3 -2,-0.3 2,-1.0 -0.251 123.5 -2.0 60.6-127.6 45.1 -8.3 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.687 128.0 -54.7 -99.2 75.1 43.1 -9.7 16.6 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.746 82.7 161.4 62.0 28.1 42.2 -6.5 14.7 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.5 1,-0.0 -1,-0.2 -0.683 33.5-142.3 -82.3 99.1 40.6 -4.8 17.8 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.434 20.6-177.0 -62.3 128.1 40.6 -1.1 16.8 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.891 57.7 -26.8 -94.0 -50.7 41.4 1.1 19.8 34 34 A T E -B 25 0A 27 -9,-1.2 -9,-0.8 2,-0.1 -1,-0.4 -0.979 34.5-138.0-161.9 151.2 41.2 4.7 18.5 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.561 74.3 115.6 -87.6 -8.8 41.5 6.7 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.212 71.7-132.7 -60.3 142.8 43.3 9.3 17.4 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.626 76.9 102.5 -72.7 -11.0 46.9 10.1 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.644 55.9-161.9 -87.7 119.3 47.8 9.8 20.3 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-1.8 1,-0.3 -1,-0.2 0.759 100.0 55.1 -61.2 -20.5 49.6 6.7 21.7 40 40 A N H > S+ 0 0 119 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.938 103.6 49.5 -78.8 -46.6 48.4 7.9 24.9 41 41 A A H >> S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.976 113.8 50.8 -51.6 -51.6 44.8 8.1 23.9 42 42 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.864 107.9 49.8 -52.3 -45.5 45.3 4.5 22.6 43 43 A K H 3X S+ 0 0 58 -4,-1.8 4,-1.6 -5,-0.2 11,-0.3 0.832 110.5 51.1 -69.1 -25.5 46.8 3.3 25.8 44 44 A S H S+ 0 0 34 -4,-1.6 4,-2.6 2,-0.2 5,-0.7 0.859 112.7 53.4 -68.2 -29.9 43.1 -0.1 29.8 48 48 A K H <5S+ 0 0 142 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 110.5 47.3 -68.7 -42.7 39.4 0.9 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.860 121.0 35.6 -68.5 -34.2 38.8 -2.0 27.4 50 50 A I H <5S- 0 0 39 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.803 98.7-127.6 -93.4 -28.8 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.6 2,-0.3 1,-0.4 -3,-0.2 0.659 78.7 79.8 89.9 14.7 39.9 -3.3 33.0 52 52 A R S - 0 0 9 -2,-0.8 3,-1.4 -11,-0.3 -1,-0.2 0.673 32.6-146.6-103.3 -24.8 48.2 -2.7 30.6 55 55 A N T 3 S- 0 0 127 1,-0.3 -2,-0.1 -12,-0.2 -11,-0.1 0.954 75.4 -50.1 54.3 55.8 50.8 -0.2 29.6 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.5 -17,-0.1 2,-0.4 0.447 119.8 93.9 66.2 5.6 50.3 -1.2 25.9 57 57 A V B < +C 16 0B 78 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.975 45.7 178.1-134.9 140.3 50.5 -4.9 26.3 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.791 27.1-108.0-129.5 170.3 48.0 -7.7 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.507 33.6-105.7 -93.9 169.0 47.9 -11.5 27.1 60 60 A K H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 122.5 53.6 -56.2 -45.7 46.7 -14.1 24.6 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 108.3 48.9 -56.1 -44.1 43.6 -14.6 26.8 62 62 A E H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.865 110.2 52.3 -66.6 -37.4 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -34,-0.4 0.883 111.3 46.1 -64.8 -44.7 43.2 -10.8 23.0 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.817 109.5 54.5 -67.8 -33.2 40.8 -13.7 22.5 65 65 A K H X S+ 0 0 136 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.966 110.1 45.9 -66.4 -46.8 38.4 -12.2 24.9 66 66 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.889 112.0 53.5 -58.9 -37.7 38.3 -9.0 22.9 67 67 A F H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.923 105.6 52.7 -65.1 -45.8 38.0 -11.1 19.8 68 68 A N H X S+ 0 0 91 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.929 111.6 46.9 -57.0 -40.0 35.0 -12.9 21.2 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.1 50.3 -66.0 -43.6 33.3 -9.6 21.9 70 70 A D H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.851 110.1 48.1 -61.7 -41.4 34.0 -8.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 114.1 48.4 -65.2 -47.7 32.7 -11.1 16.5 72 72 A D H X S+ 0 0 87 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.928 112.0 48.6 -56.5 -48.2 29.5 -11.2 18.7 73 73 A A H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.904 109.9 52.9 -64.3 -36.9 29.0 -7.4 18.3 74 74 A A H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 112.0 44.4 -62.1 -50.3 29.6 -7.8 14.5 75 75 A V H X S+ 0 0 34 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.950 115.9 46.4 -58.7 -49.4 26.9 -10.5 14.2 76 76 A R H X S+ 0 0 112 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.892 110.6 55.6 -62.0 -37.2 24.3 -8.6 16.5 77 77 A G H < S+ 0 0 2 -4,-2.5 3,-0.4 -5,-0.3 -1,-0.2 0.935 107.5 45.8 -62.4 -45.4 25.1 -5.6 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 7,-0.4 0.907 111.8 54.1 -58.6 -42.2 24.2 -7.2 11.1 79 79 A L H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 110.8 45.4 -69.2 -22.4 21.0 -8.6 12.7 80 80 A R T 3< S+ 0 0 168 -4,-1.4 2,-0.5 -3,-0.4 -1,-0.3 0.252 93.2 95.4 -99.1 0.6 19.9 -5.2 13.9 81 81 A N <> - 0 0 23 -3,-1.3 4,-2.4 -4,-0.2 3,-0.1 -0.885 65.6-147.2-105.8 131.1 20.6 -3.4 10.7 82 82 A A T 4 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.738 98.6 42.8 -66.2 -21.1 17.8 -2.9 8.2 83 83 A K T 4 S+ 0 0 136 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.827 119.9 37.4 -92.3 -34.4 20.1 -3.1 5.3 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.9 -7,-0.2 3,-0.4 0.812 101.9 69.7 -88.1 -38.2 22.3 -6.0 6.2 85 85 A K H X S+ 0 0 76 -4,-2.4 4,-3.2 -7,-0.4 5,-0.2 0.915 99.0 48.2 -48.6 -50.9 19.8 -8.3 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.867 113.3 48.8 -64.0 -33.2 17.9 -9.2 4.8 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.8 -3,-0.4 3,-0.3 0.948 111.7 48.3 -69.8 -46.8 21.1 -9.9 3.0 88 88 A Y H >< S+ 0 0 36 -4,-2.9 3,-1.6 1,-0.2 -3,-0.2 0.953 110.3 53.1 -55.9 -46.2 22.5 -12.0 5.8 89 89 A D H 3< S+ 0 0 79 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 106.6 53.2 -59.4 -33.1 19.2 -14.0 6.0 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.604 95.3 88.8 -78.1 -16.5 19.3 -14.7 2.3 91 91 A L S << S- 0 0 5 -3,-1.6 31,-0.0 -4,-0.8 30,-0.0 -0.576 74.1-117.2 -91.5 159.1 22.8 -16.2 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.8 1,-0.1 -1,-0.1 -0.149 46.5 -90.8 -75.3 171.7 24.1 -19.7 2.9 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.832 121.6 45.8 -57.5 -38.9 26.5 -20.4 5.9 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.3 62,-0.2 3,-0.4 0.921 112.9 48.9 -71.8 -47.3 29.9 -19.7 4.2 95 95 A R H > S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.836 104.4 61.3 -63.9 -32.9 28.8 -16.5 2.5 96 96 A R H X S+ 0 0 82 -4,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.905 101.3 52.9 -57.6 -41.5 27.4 -15.4 5.8 97 97 A C H X S+ 0 0 19 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.874 105.1 56.0 -61.5 -37.1 31.0 -15.6 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.879 108.4 45.7 -60.8 -44.8 32.2 -13.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.888 111.2 53.3 -68.4 -36.3 29.7 -10.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 106.5 53.1 -64.0 -38.5 30.6 -11.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.938 108.8 49.1 -60.6 -48.1 34.3 -10.5 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.914 111.5 49.0 -57.6 -47.0 33.5 -7.3 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.873 108.7 52.6 -65.5 -36.8 31.5 -5.8 8.9 104 104 A F H < S+ 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.927 117.9 38.6 -64.4 -40.5 34.3 -6.7 11.4 105 105 A Q H < S+ 0 0 58 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.915 133.1 18.8 -74.8 -49.3 36.9 -4.8 9.2 106 106 A M H X S- 0 0 51 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.483 103.3-116.3-110.6 2.1 34.9 -1.8 8.0 107 107 A G H X - 0 0 33 -4,-1.7 4,-2.1 -5,-0.3 5,-0.3 0.184 34.0 -78.9 76.0 157.0 31.9 -1.5 10.4 108 108 A E H > S+ 0 0 53 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.925 128.7 53.7 -53.5 -48.4 28.1 -1.8 9.8 109 109 A T H > S+ 0 0 126 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.899 107.9 48.5 -58.2 -45.6 28.0 1.6 8.3 110 110 A G H < S+ 0 0 31 -4,-0.6 3,-0.4 1,-0.2 -1,-0.2 0.910 114.8 42.6 -65.7 -45.3 30.7 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.2 -2,-0.2 0.891 106.0 63.1 -70.1 -37.0 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 16 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 95.9 64.3 -57.4 -23.6 25.8 -0.8 4.5 113 113 A G T 3< S+ 0 0 54 -4,-1.0 2,-1.6 -3,-0.4 3,-0.3 0.581 75.3 86.7 -73.6 -12.8 27.1 1.6 1.9 114 114 A F <> + 0 0 41 -3,-2.6 4,-2.4 1,-0.2 3,-0.4 -0.199 57.2 160.0 -85.5 55.5 27.9 -1.1 -0.7 115 115 A T H > + 0 0 88 -2,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.829 66.5 42.6 -39.6 -58.1 24.3 -0.7 -1.9 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.848 114.0 50.1 -67.3 -38.5 24.7 -2.3 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.861 108.9 53.5 -67.1 -39.3 26.8 -5.2 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.890 108.3 51.1 -60.8 -39.8 24.3 -6.0 -1.4 119 119 A R H X S+ 0 0 115 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.950 109.9 49.0 -65.0 -46.2 21.6 -6.1 -4.0 120 120 A M H <>S+ 0 0 24 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.847 110.7 49.4 -65.0 -36.4 23.6 -8.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.9 3,-0.2 -1,-0.2 0.933 108.6 53.5 -69.3 -41.2 24.4 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.865 110.5 47.2 -58.7 -32.2 20.8 -10.9 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.432 113.1-122.7 -86.1 -3.3 19.9 -11.9 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.9 2,-1.1 -4,-0.3 -3,-0.2 0.804 59.3 150.2 61.8 37.2 22.6 -14.5 -5.8 125 125 A R >< + 0 0 122 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.723 21.0 176.9 -99.7 77.0 24.4 -13.0 -8.9 126 126 A W H > + 0 0 49 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.873 68.9 42.9 -50.0 -56.0 27.8 -14.2 -7.7 127 127 A D H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 114.5 50.8 -63.8 -41.8 30.1 -13.2 -10.4 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 110.0 49.3 -66.8 -40.8 28.5 -9.8 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.832 107.9 54.3 -62.1 -38.7 28.7 -9.0 -7.2 130 130 A A H X S+ 0 0 10 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.895 110.3 47.9 -60.9 -43.3 32.5 -10.1 -7.1 131 131 A V H X S+ 0 0 91 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.928 114.6 44.7 -66.0 -44.0 33.2 -7.7 -9.9 132 132 A N H >< S+ 0 0 44 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.892 108.4 56.3 -67.1 -42.4 31.3 -4.8 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.805 99.9 62.0 -57.3 -32.7 32.8 -5.4 -4.8 134 134 A A H 3< S+ 0 0 28 -4,-1.1 2,-1.5 -3,-0.4 -1,-0.2 0.668 86.6 78.9 -70.8 -14.9 36.4 -5.0 -6.5 135 135 A K S << S+ 0 0 153 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.474 79.4 95.8 -93.7 69.1 35.5 -1.4 -7.4 136 136 A S S > S- 0 0 19 -2,-1.5 4,-2.0 1,-0.1 3,-0.3 -0.995 84.7-117.0-154.0 154.3 36.1 0.0 -4.0 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.915 114.8 64.1 -57.1 -41.3 38.7 1.8 -2.0 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.906 104.6 43.4 -45.0 -53.9 38.6 -1.4 0.3 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.889 114.7 49.7 -63.8 -45.5 39.9 -3.6 -2.5 140 140 A N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.1 43.5 -65.4 -36.5 42.5 -1.1 -3.6 141 141 A Q H < S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.883 131.4 18.6 -77.2 -42.0 43.8 -0.6 -0.1 142 142 A T S X S+ 0 0 22 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.555 74.0 163.4-128.8 68.9 43.9 -4.2 1.1 143 143 A P H > S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.833 70.2 50.0 -61.1 -41.3 43.8 -6.2 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.901 116.9 41.8 -66.7 -41.9 44.9 -9.7 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.922 115.3 50.5 -68.0 -45.8 42.4 -9.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -8,-0.2 5,-0.3 0.939 109.6 52.7 -55.8 -46.1 39.6 -8.2 -0.2 147 147 A K H X S+ 0 0 89 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.870 106.4 52.1 -56.4 -40.4 40.4 -11.0 -2.8 148 148 A R H X S+ 0 0 52 -4,-1.5 4,-1.6 2,-0.2 12,-0.2 0.941 114.3 42.3 -62.8 -44.5 40.0 -13.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.915 113.6 51.4 -67.3 -46.9 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.894 108.8 51.1 -57.5 -44.6 35.4 -11.7 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.4 4,-2.6 -5,-0.3 6,-0.3 0.867 107.3 55.3 -61.1 -37.9 36.4 -15.3 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.894 110.7 43.4 -61.5 -41.5 34.4 -16.5 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 114.7 52.3 -71.9 -34.7 31.3 -14.7 -1.9 154 154 A R H < S+ 0 0 103 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.938 124.4 20.8 -63.9 -50.3 31.9 -15.9 -5.4 155 155 A T H < S- 0 0 45 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.674 84.7-133.8 -97.3 -29.9 32.3 -19.6 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.736 74.6 99.5 76.3 20.8 30.6 -20.2 -1.4 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.809 81.5-117.0-131.8 171.2 33.6 -22.4 -0.3 158 158 A W S >> S+ 0 0 29 -2,-0.2 3,-1.6 1,-0.2 4,-0.7 0.070 71.4 123.0 -95.7 19.9 36.6 -21.8 1.9 159 159 A D G >4 + 0 0 100 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.814 66.1 58.6 -51.2 -38.4 39.1 -22.3 -1.0 160 160 A A G 34 S+ 0 0 14 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.710 113.4 39.2 -68.7 -16.1 40.8 -18.9 -0.5 161 161 A Y G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.427 94.0 82.2-109.8 -3.7 41.7 -19.7 3.0 162 162 A K S << S+ 0 0 134 -3,-0.9 -2,-0.1 -4,-0.7 -3,-0.1 0.657 92.1 53.9 -80.6 -8.5 42.6 -23.3 2.5 163 163 A N 0 0 133 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.910 360.0 360.0 -75.0 -49.7 45.9 -22.2 1.4 164 164 A L 0 0 115 -4,-0.3 -2,-0.2 0, 0.0 -1,-0.1 0.582 360.0 360.0 -84.1 360.0 46.6 -20.1 4.4