==== 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) 01-MAY-89 1L32 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.A.BELL,S.DAO-PIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 87 53.0 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 0 0 1 3 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.8 36.9 -23.5 9.0 2 2 A N > - 0 0 69 95,-0.0 4,-2.7 1,-0.0 3,-0.3 -0.870 360.0 -86.4-144.2 172.9 34.7 -21.0 10.9 3 3 A I H > S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.800 123.3 53.3 -55.2 -42.2 34.5 -17.2 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.939 111.9 42.2 -61.9 -51.3 37.0 -17.2 14.1 5 5 A E H > S+ 0 0 92 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.899 114.7 53.5 -62.1 -37.8 39.7 -19.0 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.932 112.0 43.0 -61.8 -47.4 38.9 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.4 0.830 108.2 59.3 -70.9 -29.2 39.3 -13.7 10.9 8 8 A R H X S+ 0 0 107 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.912 106.6 48.8 -66.9 -31.4 42.4 -14.8 12.7 9 9 A I H < S+ 0 0 55 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.973 114.7 44.1 -70.8 -48.5 44.0 -15.4 9.4 10 10 A D H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 124.7 29.4 -65.6 -36.2 43.1 -12.1 8.0 11 11 A E H < S- 0 0 34 -4,-2.2 19,-0.3 -5,-0.1 -1,-0.2 0.719 91.6-149.4 -99.8 -27.2 43.9 -9.9 11.0 12 12 A G < - 0 0 18 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.226 23.6 -88.4 84.0-179.4 46.8 -11.7 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 42.5 173.6-133.5 127.0 47.4 -11.6 16.5 14 14 A R E -A 28 0A 133 14,-1.1 14,-2.8 -2,-0.4 4,-0.1 -0.997 18.2-165.4-136.3 123.8 49.6 -8.9 18.1 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.375 74.4 64.2 -89.1 1.5 50.0 -8.6 21.9 16 16 A K E S-C 57 0B 111 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.902 101.5 -88.4-122.1 147.7 51.5 -5.0 21.8 17 17 A I E + 0 0 22 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.263 58.3 172.1 -51.2 145.1 49.7 -1.8 20.5 18 18 A Y E -A 26 0A 29 8,-2.9 8,-2.7 -4,-0.1 2,-0.4 -0.905 34.7-106.2-148.8 170.5 50.3 -1.5 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.871 34.1-137.5-103.3 142.0 49.2 0.6 13.9 20 20 A D > - 0 0 50 4,-2.2 3,-2.3 -2,-0.4 -1,-0.0 -0.146 39.7 -81.5 -84.0-170.2 46.8 -0.9 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 134.0 50.3 -64.3 -29.1 47.0 -0.7 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.446 124.2-103.4 -86.0 2.1 45.3 2.7 7.9 23 23 A G S < S+ 0 0 35 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.564 74.8 141.5 87.0 11.6 47.7 3.9 10.6 24 24 A Y - 0 0 79 1,-0.1 -4,-2.2 -5,-0.0 2,-0.3 -0.600 60.5-102.7 -93.1 153.3 45.3 3.4 13.5 25 25 A Y E +AB 19 34A 32 9,-0.9 8,-3.2 11,-0.3 9,-1.3 -0.540 55.1 158.9 -71.4 122.7 46.2 2.2 17.0 26 26 A T E -AB 18 32A 3 -8,-2.7 -8,-2.9 -2,-0.3 2,-0.3 -0.865 19.4-172.1-134.7 165.0 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.7 -2,-0.3 -12,-0.2 -0.975 53.3 4.9-155.6 161.9 45.9 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.1 -2,-0.3 2,-1.0 -0.376 122.9 -6.2 72.4-137.4 45.1 -8.3 19.5 29 29 A I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.633 126.1 -54.2 -98.4 77.7 43.1 -9.6 16.6 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.754 83.4 159.4 66.1 24.6 42.2 -6.5 14.7 31 31 A H E < -B 27 0A 34 -4,-1.7 -4,-1.5 1,-0.0 -1,-0.2 -0.669 34.2-142.6 -82.8 104.4 40.6 -4.7 17.7 32 32 A L E -B 26 0A 69 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.439 18.4-174.6 -62.8 131.5 40.7 -0.9 16.8 33 33 A L E - 0 0 14 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.913 59.7 -26.4 -93.6 -45.0 41.5 1.2 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.9 2,-0.1 -1,-0.4 -0.956 37.0-137.1-162.4 147.1 41.2 4.8 18.6 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.425 75.9 114.3 -85.4 -1.5 41.5 6.7 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.3 2,-0.1 -2,-0.1 -0.395 72.4-131.9 -70.3 146.9 43.3 9.4 17.4 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.650 76.2 101.8 -75.2 -7.8 47.0 10.1 16.7 38 38 A S > - 0 0 49 1,-0.2 4,-1.6 2,-0.1 5,-0.2 -0.698 55.6-162.1 -92.2 121.1 47.9 9.9 20.3 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.707 99.8 57.6 -61.2 -20.6 49.6 6.7 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.964 101.5 48.7 -76.5 -50.4 48.5 8.1 24.9 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.821 113.7 52.6 -54.2 -32.7 44.9 8.3 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.825 105.4 51.0 -73.5 -41.8 45.4 4.6 22.8 43 43 A K H X S+ 0 0 54 -4,-1.9 4,-1.8 1,-0.2 11,-0.3 0.858 110.6 50.4 -68.4 -27.4 46.9 3.4 25.9 44 44 A S H X S+ 0 0 72 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.886 109.3 49.4 -74.3 -42.5 44.0 4.8 27.8 45 45 A E H X S+ 0 0 68 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.934 110.4 54.0 -60.7 -42.0 41.4 3.2 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.927 108.3 46.2 -57.6 -45.9 43.2 -0.0 26.1 47 47 A D H X>S+ 0 0 36 -4,-1.8 4,-2.3 1,-0.2 5,-0.8 0.902 112.3 52.1 -67.4 -34.7 43.1 0.1 29.8 48 48 A K H <5S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 111.2 47.6 -65.9 -39.9 39.5 1.0 29.7 49 49 A A H <5S+ 0 0 47 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.0 35.9 -72.1 -35.9 38.8 -2.0 27.5 50 50 A I H <5S- 0 0 37 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.724 100.1-126.5 -90.4 -29.8 40.7 -4.5 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 1,-0.4 -3,-0.2 0.742 78.2 74.3 88.0 18.9 40.0 -3.3 33.0 52 52 A R S - 0 0 7 -2,-0.8 3,-1.4 -11,-0.3 -1,-0.2 0.675 31.3-144.4 -94.9 -21.8 48.2 -2.6 30.6 55 55 A N T 3 S- 0 0 130 1,-0.3 -2,-0.1 -12,-0.2 -11,-0.1 0.939 74.9 -53.2 56.7 47.9 51.0 -0.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.592 119.5 96.5 69.7 4.5 50.3 -1.1 26.0 57 57 A V B < -C 16 0B 58 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.966 46.3-178.6-134.3 146.0 50.5 -4.8 26.3 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.831 24.8-113.9-133.5 166.8 48.0 -7.7 26.7 59 59 A T >> - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.536 35.9-103.9 -92.7 166.4 48.0 -11.5 27.2 60 60 A K H 3> S+ 0 0 110 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.892 121.6 54.6 -54.1 -51.5 46.7 -14.0 24.7 61 61 A D H 3> S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.833 107.0 49.6 -49.2 -46.4 43.6 -14.6 26.8 62 62 A E H <> S+ 0 0 36 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.867 110.2 51.7 -67.4 -36.1 42.8 -10.8 26.8 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -34,-0.5 0.856 110.3 47.8 -65.7 -41.2 43.2 -10.7 23.1 64 64 A E H X S+ 0 0 78 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.803 108.2 55.0 -71.8 -31.5 40.8 -13.6 22.6 65 65 A K H X S+ 0 0 139 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.950 109.2 46.2 -64.7 -45.2 38.3 -12.1 24.9 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.915 111.4 55.0 -59.4 -40.2 38.2 -8.8 22.9 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.943 105.8 50.5 -61.6 -47.5 38.0 -11.0 19.8 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.910 112.4 47.7 -55.9 -43.1 34.9 -12.8 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.888 111.0 50.3 -67.2 -40.7 33.3 -9.6 21.9 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.825 110.3 47.5 -66.5 -36.7 34.0 -8.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.929 112.8 51.5 -70.3 -41.1 32.7 -11.0 16.5 72 72 A D H X S+ 0 0 83 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.930 111.6 45.8 -55.3 -48.2 29.6 -11.0 18.7 73 73 A A H X S+ 0 0 42 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.867 109.5 55.5 -66.8 -36.2 29.0 -7.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.960 111.6 43.9 -59.8 -53.0 29.7 -7.7 14.3 75 75 A V H X S+ 0 0 34 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.946 114.4 49.0 -55.5 -50.0 26.9 -10.3 14.1 76 76 A R H X S+ 0 0 113 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.915 108.6 55.0 -59.0 -39.4 24.5 -8.3 16.3 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.922 107.8 48.0 -64.7 -39.9 25.1 -5.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 7,-0.4 0.930 111.2 51.2 -61.5 -43.4 24.2 -7.1 11.0 79 79 A L H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.728 111.0 49.7 -69.2 -22.2 21.0 -8.4 12.7 80 80 A R H 3< S+ 0 0 167 -4,-1.6 2,-0.6 -3,-0.2 -1,-0.3 0.406 94.9 79.8 -92.2 -9.3 20.1 -4.9 13.8 81 81 A N S+ 0 0 81 -2,-0.6 4,-1.6 2,-0.2 5,-0.2 0.922 95.8 49.1 -53.7 -51.9 17.6 -3.8 8.1 83 83 A K H > S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.961 119.1 41.0 -53.7 -48.9 19.7 -3.5 4.8 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.871 110.2 53.7 -69.6 -45.6 22.2 -6.0 6.2 85 85 A K H X S+ 0 0 74 -4,-2.6 4,-2.9 -7,-0.4 5,-0.2 0.878 104.3 56.9 -60.9 -36.1 19.9 -8.6 7.9 86 86 A S H X S+ 0 0 48 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.949 110.9 41.6 -67.9 -39.9 18.0 -9.0 4.8 87 87 A V H X S+ 0 0 2 -4,-1.2 4,-0.7 -5,-0.2 3,-0.4 0.935 114.3 53.1 -66.9 -46.7 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 37 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.935 106.8 51.5 -54.0 -46.9 22.4 -12.2 5.7 89 89 A D H 3< S+ 0 0 85 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.804 107.7 53.4 -64.4 -28.4 19.2 -14.1 6.0 90 90 A S H 3< S+ 0 0 33 -4,-1.0 -1,-0.3 -3,-0.4 2,-0.2 0.564 96.6 90.3 -80.1 -14.0 19.2 -14.9 2.3 91 91 A L S << S- 0 0 6 -3,-1.3 31,-0.0 -4,-0.7 30,-0.0 -0.644 74.8-117.9 -91.0 159.6 22.7 -16.3 2.3 92 92 A D > - 0 0 56 -2,-0.2 4,-2.0 1,-0.1 -1,-0.1 -0.094 44.9 -92.7 -74.9 174.9 24.2 -19.8 2.9 93 93 A A H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.850 121.4 46.5 -64.4 -36.8 26.5 -20.5 5.9 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.3 62,-0.2 3,-0.3 0.927 112.5 48.7 -69.4 -49.4 29.9 -19.8 4.2 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.868 103.4 62.7 -58.6 -37.1 28.8 -16.6 2.5 96 96 A R H X S+ 0 0 82 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.942 100.2 54.8 -52.1 -40.9 27.4 -15.5 5.8 97 97 A C H X S+ 0 0 17 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.877 104.2 54.5 -59.8 -38.8 31.0 -15.7 7.1 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.863 108.5 46.4 -64.0 -41.1 32.2 -13.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.3 -1,-0.2 0.876 111.0 53.3 -72.7 -35.7 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.926 106.2 53.1 -63.1 -40.5 30.6 -10.9 8.8 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.951 108.9 49.4 -58.1 -44.8 34.3 -10.5 7.9 102 102 A M H X S+ 0 0 4 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.910 111.0 49.6 -59.2 -44.4 33.5 -7.2 6.0 103 103 A V H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 108.7 52.5 -63.0 -37.9 31.5 -5.9 8.9 104 104 A F H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.919 117.1 39.2 -64.8 -39.2 34.2 -6.6 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.896 132.9 18.9 -78.3 -42.6 36.8 -4.8 9.2 106 106 A M H X S- 0 0 49 -4,-3.1 4,-0.7 -5,-0.2 -3,-0.2 0.483 101.8-117.4-119.5 9.9 34.8 -1.9 8.0 107 107 A G H X - 0 0 33 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.238 34.7 -78.8 70.1 158.0 31.8 -1.5 10.3 108 108 A E H > S+ 0 0 59 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 127.0 52.8 -55.7 -47.6 28.1 -1.7 9.6 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.958 108.6 49.0 -59.1 -52.6 27.9 1.7 8.2 110 110 A G H < S+ 0 0 33 -4,-0.7 3,-0.4 1,-0.2 4,-0.2 0.890 114.2 44.1 -56.8 -44.8 30.6 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.6 1,-0.2 -1,-0.2 0.926 106.4 60.5 -70.6 -35.9 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 15 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 94.4 67.6 -60.2 -23.9 25.8 -0.8 4.3 113 113 A G T 3< S+ 0 0 56 -4,-1.3 2,-1.3 -3,-0.4 -1,-0.3 0.583 75.9 84.9 -66.8 -16.2 27.2 1.7 1.8 114 114 A F <> + 0 0 39 -3,-2.6 4,-2.5 -4,-0.2 3,-0.3 -0.257 56.6 158.2 -83.4 50.6 27.9 -1.2 -0.8 115 115 A T H > + 0 0 92 -2,-1.3 4,-1.8 1,-0.3 -1,-0.2 0.857 66.5 42.7 -41.3 -58.1 24.3 -0.8 -2.0 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.864 114.4 49.0 -63.4 -46.0 24.7 -2.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.837 109.3 53.5 -60.3 -42.2 26.9 -5.2 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.912 107.7 52.0 -58.7 -44.6 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 115 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.928 110.7 48.5 -55.0 -46.1 21.5 -6.2 -4.1 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.1 2,-0.2 4,-0.4 0.922 109.9 49.6 -65.4 -42.8 23.5 -8.6 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.966 109.7 53.2 -62.8 -39.3 24.4 -10.9 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.927 109.7 47.6 -60.1 -39.2 20.8 -10.9 -2.5 123 123 A Q T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.428 112.8-123.0 -79.3 -2.2 19.9 -11.9 -5.9 124 124 A K T < 5 + 0 0 96 -3,-2.4 2,-1.2 -4,-0.4 -3,-0.2 0.732 59.6 148.3 63.8 35.3 22.6 -14.6 -5.9 125 125 A R >< + 0 0 120 -5,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.749 21.2 177.2 -97.7 80.3 24.4 -13.2 -8.9 126 126 A W H > S+ 0 0 51 -2,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.881 70.5 44.0 -56.7 -48.2 27.8 -14.3 -7.6 127 127 A D H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 114.9 49.3 -67.3 -42.0 30.1 -13.3 -10.5 128 128 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 111.1 48.2 -65.0 -43.8 28.5 -10.0 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.875 107.6 56.6 -65.1 -34.5 28.7 -9.1 -7.3 130 130 A A H X S+ 0 0 13 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.897 108.8 47.6 -61.2 -39.2 32.4 -10.2 -7.2 131 131 A V H X S+ 0 0 89 -4,-1.8 4,-0.5 1,-0.2 3,-0.5 0.930 112.7 47.6 -68.1 -44.3 33.2 -7.8 -9.9 132 132 A N H >< S+ 0 0 44 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.852 106.9 55.7 -66.1 -37.7 31.3 -4.9 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.3 6,-0.4 1,-0.2 -1,-0.2 0.809 99.6 63.1 -64.7 -28.1 32.9 -5.4 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-0.9 2,-1.5 -3,-0.5 -1,-0.2 0.675 85.8 77.9 -72.5 -16.0 36.3 -5.1 -6.5 135 135 A K S << S+ 0 0 154 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 -0.482 80.1 96.4 -90.5 63.5 35.5 -1.5 -7.5 136 136 A S S > S- 0 0 19 -2,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.997 84.5-117.3-151.3 152.7 36.1 -0.0 -4.1 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.928 115.0 65.0 -52.7 -40.8 38.7 1.7 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.920 105.2 41.5 -46.8 -55.5 38.5 -1.4 0.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.899 115.2 50.1 -64.2 -42.8 39.9 -3.7 -2.6 140 140 A N H < S+ 0 0 106 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 115.1 43.9 -66.0 -35.0 42.5 -1.2 -3.7 141 141 A Q H < S+ 0 0 107 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 131.5 16.8 -76.8 -45.9 43.8 -0.7 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.539 74.6 164.7-125.5 69.1 43.9 -4.3 1.1 143 143 A P H > + 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.826 68.0 50.5 -59.2 -38.8 43.8 -6.3 -2.1 144 144 A N H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.934 116.3 42.2 -69.5 -42.6 44.9 -9.8 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.932 114.4 51.2 -62.8 -51.2 42.4 -9.9 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.933 109.6 52.1 -54.2 -42.9 39.6 -8.4 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.877 106.8 51.8 -61.6 -40.3 40.3 -11.0 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.958 113.9 43.3 -61.8 -44.7 40.0 -13.8 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.929 113.7 52.6 -63.7 -42.3 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.944 108.1 49.5 -59.3 -47.8 35.5 -11.8 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.832 106.6 57.2 -59.1 -41.1 36.3 -15.4 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.891 111.2 41.7 -58.5 -41.7 34.4 -16.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.838 115.3 51.5 -74.7 -34.1 31.3 -14.8 -1.9 154 154 A R H < S+ 0 0 99 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.937 124.9 22.6 -65.1 -46.3 31.9 -15.9 -5.4 155 155 A T H < S- 0 0 44 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.613 85.5-134.8 -98.1 -27.2 32.3 -19.6 -4.7 156 156 A G S < S+ 0 0 17 -4,-1.9 2,-0.3 -5,-0.4 -62,-0.2 0.729 73.1 100.1 75.3 16.8 30.6 -20.3 -1.5 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.808 81.4-116.6-130.0 173.2 33.6 -22.4 -0.4 158 158 A W S > S+ 0 0 29 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 0.172 72.0 122.2 -96.3 21.3 36.6 -21.9 1.9 159 159 A D G > + 0 0 101 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.799 64.5 59.6 -52.8 -38.9 39.0 -22.4 -0.9 160 160 A A G 3 S+ 0 0 12 -3,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.711 112.4 39.7 -66.0 -16.6 40.8 -19.0 -0.5 161 161 A Y G < S+ 0 0 1 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.363 93.5 82.7-108.3 -2.8 41.8 -19.8 3.0 162 162 A K S < S+ 0 0 136 -3,-1.1 -2,-0.1 -4,-0.5 -3,-0.1 0.482 92.6 53.1 -88.0 1.2 42.7 -23.5 2.6 163 163 A N 0 0 126 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.848 360.0 360.0 -77.7 -59.3 45.9 -22.4 1.4 164 164 A L 0 0 119 -4,-0.2 -2,-0.2 0, 0.0 -3,-0.1 0.514 360.0 360.0 -70.9 360.0 46.7 -20.2 4.4