==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 28-MAY-93 120L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 7.4 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 . 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.5 43.9 -1.7 9.2 2 2 A N > - 0 0 68 95,-0.0 4,-2.2 92,-0.0 3,-0.3 -0.870 360.0 -83.8-142.2 176.3 40.6 -0.8 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.838 124.9 52.8 -52.6 -39.9 38.4 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 112.1 41.7 -65.1 -48.6 40.6 3.6 14.2 5 5 A E H > S+ 0 0 100 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.811 114.3 54.6 -68.2 -34.1 43.9 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.959 112.1 42.1 -65.9 -50.8 42.3 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.793 109.4 59.4 -66.1 -30.1 40.9 7.9 11.0 8 8 A R H X S+ 0 0 103 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.873 107.9 46.0 -66.0 -33.8 44.3 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.0 46.4 -74.6 -37.2 46.1 8.7 9.5 10 10 A D H < S+ 0 0 19 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.851 124.3 27.7 -73.3 -36.3 43.4 11.1 8.2 11 11 A E H < S- 0 0 42 -4,-2.3 19,-0.4 -5,-0.1 -3,-0.2 0.704 92.1-152.1-102.4 -24.5 43.1 13.4 11.2 12 12 A G < - 0 0 23 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.1 -0.119 25.5 -84.3 74.2-171.4 46.6 13.2 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 44.0 170.8-135.6 126.5 47.1 13.8 16.5 14 14 A R E -A 28 0A 143 14,-1.3 14,-2.3 -2,-0.4 4,-0.1 -1.000 19.0-164.1-136.3 133.1 47.6 17.2 18.3 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.424 74.3 61.1 -97.2 1.7 47.7 17.8 22.0 16 16 A K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.941 101.4 -85.7-128.0 146.8 47.2 21.5 21.9 17 17 A I E + 0 0 18 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.248 58.2 170.9 -51.8 137.0 44.1 23.4 20.5 18 18 A Y E -A 26 0A 27 8,-2.5 8,-2.9 -4,-0.1 2,-0.5 -0.862 36.0-102.5-142.6 169.5 44.6 24.0 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.876 34.4-137.6-100.1 132.2 42.6 25.2 13.9 20 20 A D > - 0 0 47 4,-2.7 3,-1.5 -2,-0.5 -1,-0.1 0.030 41.8 -81.2 -75.0-176.0 41.2 22.6 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.775 133.9 49.3 -64.5 -19.6 41.2 22.9 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.390 124.1-102.5 -93.4 -4.8 38.0 25.2 7.9 23 23 A G S < S+ 0 0 38 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.614 74.6 140.3 94.0 12.0 39.6 27.3 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.691 60.2-100.1 -96.9 151.3 37.7 25.8 13.6 25 25 A Y E +AB 19 34A 35 9,-0.8 8,-3.2 11,-0.4 9,-1.2 -0.460 54.4 161.9 -66.4 120.8 39.1 25.1 17.0 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-2.5 -2,-0.3 2,-0.3 -0.897 19.1-166.4-136.9 162.0 39.9 21.4 17.4 27 27 A I E > - B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 -12,-0.2 -0.979 52.3 -5.2-149.0 159.5 42.0 19.1 19.6 28 28 A G E 4 S-A 14 0A 1 -14,-2.3 -14,-1.3 -2,-0.3 2,-1.0 -0.312 123.2 -2.0 64.6-130.5 43.4 15.5 19.7 29 29 A I T 4 S- 0 0 6 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.651 127.3 -54.3 -97.9 73.4 42.3 13.3 16.8 30 30 A G T 4 S+ 0 0 17 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.802 83.0 158.8 66.4 29.6 39.9 15.6 14.8 31 31 A H E < -B 27 0A 35 -4,-1.8 -4,-1.5 32,-0.0 -1,-0.2 -0.712 34.7-142.8 -87.4 97.4 37.6 16.4 17.8 32 32 A L E -B 26 0A 67 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.298 18.3-174.2 -56.4 135.3 35.9 19.7 16.8 33 33 A L E - 0 0 15 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.914 56.9 -28.6 -96.7 -49.1 35.5 22.0 19.8 34 34 A T E -B 25 0A 27 -9,-1.2 -9,-0.8 2,-0.1 -1,-0.4 -0.955 35.4-135.6-164.5 152.1 33.4 24.9 18.5 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.537 75.8 111.1 -89.0 -8.4 32.7 26.8 15.4 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.247 71.2-134.0 -65.0 154.2 33.0 30.0 17.4 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.538 74.7 102.2 -86.8 -5.1 35.9 32.4 16.8 38 38 A S > - 0 0 47 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.667 58.2-157.6 -86.8 125.8 36.7 32.8 20.4 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.813 96.4 55.5 -67.2 -26.9 39.7 30.9 21.8 40 40 A N H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 102.9 52.4 -73.9 -37.4 38.1 31.3 25.2 41 41 A S H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 110.6 50.2 -64.2 -36.3 35.0 29.8 24.2 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.856 108.9 50.9 -66.9 -36.3 37.1 26.8 22.8 43 43 A K H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 11,-0.3 0.862 108.2 53.9 -70.9 -33.1 39.0 26.4 26.1 44 44 A S H X S+ 0 0 71 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.934 109.6 45.8 -65.6 -43.3 35.7 26.4 27.9 45 45 A E H X S+ 0 0 62 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.910 110.3 55.7 -66.7 -40.4 34.4 23.5 25.7 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.946 108.5 45.0 -58.0 -48.5 37.6 21.6 26.1 47 47 A D H X>S+ 0 0 40 -4,-2.1 4,-2.3 1,-0.2 5,-0.7 0.843 112.8 52.1 -64.6 -34.5 37.5 21.6 29.9 48 48 A K H <5S+ 0 0 145 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.906 111.0 48.3 -63.8 -44.8 33.8 20.7 29.8 49 49 A A H <5S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.863 121.6 34.7 -63.7 -37.8 34.7 17.7 27.5 50 50 A I H <5S- 0 0 37 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.719 98.2-128.5 -92.8 -28.7 37.5 16.6 29.7 51 51 A G T <5S+ 0 0 69 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.746 76.8 79.4 86.0 19.9 36.3 17.3 33.2 52 52 A R S - 0 0 8 -2,-0.9 3,-1.9 -11,-0.3 -1,-0.2 0.633 31.1-147.1 -98.9 -15.3 43.1 22.1 31.0 55 55 A N T 3 S- 0 0 120 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.811 75.4 -57.7 51.1 36.6 44.4 25.4 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.2 1,-0.1 2,-0.4 0.522 115.1 102.9 77.7 3.5 44.3 24.1 26.3 57 57 A V B < +C 16 0B 75 -3,-1.9 2,-0.3 -41,-0.2 -41,-0.2 -0.970 42.6 177.7-125.8 133.4 46.5 21.1 26.7 58 58 A I - 0 0 3 -43,-2.1 2,-0.1 -2,-0.4 -30,-0.1 -0.845 25.3-116.7-125.3 164.2 45.6 17.4 27.0 59 59 A T > - 0 0 69 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.439 35.5-100.1 -92.8 170.0 47.5 14.1 27.3 60 60 A K H > S+ 0 0 110 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.877 121.7 50.9 -58.1 -42.4 47.6 11.2 24.8 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.801 107.3 52.1 -63.8 -38.9 45.1 9.2 26.8 62 62 A E H > S+ 0 0 38 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.902 110.6 49.9 -66.7 -40.9 42.6 12.0 27.0 63 63 A A H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 -34,-0.5 0.850 111.5 47.3 -60.3 -44.2 42.9 12.4 23.2 64 64 A E H X S+ 0 0 74 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.829 109.5 55.6 -69.0 -32.9 42.3 8.6 22.7 65 65 A K H X S+ 0 0 133 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.957 108.8 44.4 -66.6 -48.1 39.4 8.8 25.1 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.876 112.9 56.2 -61.6 -34.6 37.6 11.6 23.1 67 67 A F H X S+ 0 0 13 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.942 105.0 48.1 -64.4 -49.3 38.4 9.6 20.0 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.896 112.6 50.9 -59.0 -38.0 36.8 6.3 21.1 69 69 A Q H X S+ 0 0 99 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.898 110.2 49.8 -65.0 -40.8 33.7 8.4 22.1 70 70 A D H X S+ 0 0 35 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.836 110.5 46.8 -68.9 -36.1 33.6 10.1 18.7 71 71 A V H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.955 112.4 51.6 -71.0 -43.1 33.8 6.8 16.6 72 72 A D H X S+ 0 0 91 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.960 110.9 48.6 -54.8 -53.0 31.1 5.3 18.8 73 73 A A H X S+ 0 0 63 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.887 110.0 52.0 -56.6 -40.6 28.9 8.4 18.2 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.971 109.6 47.8 -61.0 -51.3 29.5 8.2 14.4 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.948 115.2 46.1 -52.0 -51.1 28.5 4.5 14.2 76 76 A R H X S+ 0 0 128 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.873 107.1 56.7 -65.1 -34.9 25.3 5.2 16.2 77 77 A G H X S+ 0 0 12 -4,-2.5 4,-0.9 -5,-0.3 3,-0.3 0.949 108.8 48.1 -61.7 -43.5 24.4 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 7,-0.4 0.940 110.9 49.9 -58.6 -48.6 24.5 6.0 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.741 113.9 46.4 -67.1 -19.3 22.3 3.3 12.7 80 80 A R H 3< S+ 0 0 193 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.2 0.487 92.9 92.8 -95.0 -15.7 19.8 5.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.2 0.814 100.9 68.5 -89.6 -38.0 22.2 6.0 6.2 85 85 A K H X S+ 0 0 84 -4,-2.1 4,-2.9 -7,-0.4 5,-0.2 0.907 98.6 49.0 -51.7 -50.9 21.3 2.9 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.886 113.2 48.4 -60.8 -36.8 20.1 1.0 4.8 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.2 -2,-0.2 0.967 112.4 48.4 -64.8 -49.5 23.3 1.9 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.915 110.0 52.2 -52.1 -51.5 25.4 0.9 5.9 89 89 A D H 3< S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.9 52.8 -55.4 -37.8 23.5 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.623 96.3 88.8 -72.4 -20.0 24.1 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-1.2 31,-0.0 -4,-1.0 2,-0.0 -0.496 73.4-117.4 -88.6 158.5 27.9 -2.7 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.228 44.3 -93.1 -75.6 172.2 30.9 -5.0 3.2 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.867 122.1 48.4 -63.1 -39.3 33.3 -4.3 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.2 1,-0.2 3,-0.5 0.970 113.7 45.9 -62.4 -53.3 35.8 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.797 105.2 61.8 -59.3 -35.0 33.3 0.0 2.7 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.910 101.4 53.4 -56.8 -45.2 31.4 0.4 6.0 97 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.2 0.885 105.2 54.6 -57.0 -40.1 34.7 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.893 108.0 48.3 -65.4 -36.5 34.7 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.903 110.4 51.6 -69.5 -38.8 31.1 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.893 107.1 54.5 -64.1 -35.5 32.0 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.976 107.5 48.9 -63.7 -48.5 35.0 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.895 112.3 48.9 -56.0 -45.3 32.7 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.891 107.7 53.5 -64.2 -40.3 30.3 10.8 8.9 104 104 A F H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 116.5 39.6 -58.8 -42.9 33.1 11.5 11.5 105 105 A Q H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.888 132.4 19.5 -74.9 -46.9 34.4 14.4 9.3 106 106 A M H X S- 0 0 54 -4,-2.4 4,-0.6 -5,-0.2 -3,-0.2 0.459 101.7-114.4-113.2 0.4 31.1 15.9 8.1 107 107 A G H X - 0 0 34 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.229 34.1 -82.2 80.8 154.1 28.4 14.8 10.4 108 108 A E H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 125.9 53.5 -59.9 -41.1 25.4 12.7 9.7 109 109 A T H > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.953 108.8 49.8 -58.4 -50.3 23.3 15.5 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.9 2,-0.2 4,-0.3 0.922 113.9 42.8 -54.1 -54.6 26.0 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.3 -1,-0.2 0.924 106.9 61.4 -60.6 -44.5 26.5 12.8 4.5 112 112 A A H 3< S+ 0 0 9 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.756 94.5 67.4 -54.2 -24.1 22.8 12.2 4.3 113 113 A G T << S+ 0 0 55 -4,-1.0 2,-1.8 -3,-0.9 -1,-0.3 0.598 74.0 87.0 -74.5 -11.8 22.8 15.0 1.8 114 114 A F <> + 0 0 40 -3,-2.8 4,-2.4 -4,-0.3 3,-0.3 -0.297 55.8 160.6 -85.1 60.5 24.7 13.0 -0.8 115 115 A T H > + 0 0 89 -2,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.805 67.6 43.6 -49.5 -52.7 21.4 11.5 -2.1 116 116 A N H > S+ 0 0 105 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.862 114.0 50.1 -65.3 -39.8 22.6 10.4 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.884 108.8 52.5 -66.2 -44.0 25.9 8.8 -4.2 118 118 A L H X S+ 0 0 15 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.892 108.3 51.1 -59.7 -40.4 24.2 6.9 -1.5 119 119 A R H X S+ 0 0 169 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.930 110.8 48.3 -66.1 -39.7 21.8 5.4 -4.0 120 120 A M H X>S+ 0 0 44 -4,-1.9 5,-2.4 2,-0.2 4,-0.6 0.892 110.1 51.0 -67.5 -40.1 24.7 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.940 108.9 52.8 -60.7 -42.5 26.6 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.882 109.8 47.9 -58.5 -37.3 23.4 0.8 -2.3 123 123 A Q H 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.459 113.0-120.8 -81.5 -9.8 23.2 -0.5 -5.9 124 124 A K T <<5 + 0 0 103 -3,-1.4 2,-1.2 -4,-0.6 -3,-0.2 0.777 61.2 148.8 67.8 35.2 26.9 -1.5 -5.8 125 125 A R >< + 0 0 119 -5,-2.4 4,-2.2 1,-0.2 -1,-0.2 -0.728 18.9 173.0 -99.2 77.5 27.7 0.8 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.874 69.6 44.6 -57.6 -47.9 31.3 1.5 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 115.6 48.8 -70.3 -36.3 32.7 3.4 -10.5 128 128 A E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.876 110.3 51.0 -70.0 -33.1 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 107.9 53.2 -66.4 -42.3 29.5 6.3 -7.1 130 130 A A H X S+ 0 0 14 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.897 109.4 49.6 -58.1 -44.6 33.3 7.4 -7.1 131 131 A V H < S+ 0 0 90 -4,-1.6 4,-0.5 2,-0.2 3,-0.2 0.914 114.1 42.8 -63.9 -45.0 32.6 9.8 -10.0 132 132 A N H >< S+ 0 0 41 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.874 108.2 60.0 -72.3 -32.6 29.6 11.4 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.867 99.3 58.4 -62.3 -33.2 31.3 11.6 -5.0 134 134 A A T 3< S+ 0 0 27 -4,-1.1 2,-1.7 -3,-0.2 -1,-0.2 0.678 86.3 79.5 -72.8 -18.1 34.1 13.8 -6.5 135 135 A K S < S+ 0 0 155 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.589 79.6 97.7 -88.6 67.8 31.6 16.5 -7.6 136 136 A S S > S- 0 0 18 -2,-1.7 4,-1.6 1,-0.1 5,-0.2 -0.988 85.3-116.2-148.3 161.9 31.4 18.0 -4.2 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.880 114.5 64.6 -64.8 -35.8 32.8 20.8 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.920 104.7 42.1 -47.7 -55.9 34.3 18.0 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.854 115.1 49.7 -63.8 -42.8 36.5 16.8 -2.6 140 140 A N H < S+ 0 0 113 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 117.0 40.9 -69.0 -33.7 37.6 20.3 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.807 132.4 20.7 -82.7 -35.9 38.5 21.5 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.425 74.9 161.8-130.9 63.8 40.2 18.2 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.797 68.6 49.4 -58.9 -38.5 41.2 16.5 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.944 116.5 42.4 -70.5 -41.1 43.9 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.924 114.1 51.7 -65.1 -48.4 41.7 12.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 -8,-0.2 5,-0.3 0.927 109.0 52.0 -53.2 -51.4 38.6 12.6 -0.3 147 147 A K H X S+ 0 0 87 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.894 107.1 52.5 -53.9 -40.1 40.6 10.5 -2.9 148 148 A R H X S+ 0 0 65 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.947 114.8 41.4 -61.6 -46.5 41.6 8.1 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 114.2 51.8 -64.6 -47.6 37.9 7.6 0.9 150 150 A I H X S+ 0 0 15 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.829 108.3 50.9 -58.8 -40.0 36.7 7.5 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.0 4,-2.4 -5,-0.3 5,-0.4 0.870 107.2 55.1 -67.7 -35.3 39.3 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.891 110.0 45.3 -61.9 -43.8 38.2 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.8 49.7 -68.1 -37.9 34.5 2.8 -1.8 154 154 A R H < S+ 0 0 103 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.931 125.5 21.5 -66.8 -43.0 35.6 2.0 -5.4 155 155 A T H < S- 0 0 45 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.607 86.9-134.4-101.0 -28.5 37.9 -1.0 -4.7 156 156 A G S < S+ 0 0 15 -4,-1.7 2,-0.2 -5,-0.4 -62,-0.2 0.715 71.2 99.6 74.7 20.7 36.8 -2.3 -1.4 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.3 -0.743 80.9-114.8-126.3 176.9 40.4 -2.7 -0.1 158 158 A W S > S+ 0 0 44 -2,-0.2 3,-2.0 1,-0.2 4,-0.4 0.165 73.9 120.9 -97.2 15.8 42.8 -0.7 2.2 159 159 A D G > + 0 0 95 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.825 66.1 58.8 -48.4 -45.9 45.2 0.1 -0.7 160 160 A A G 3 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.716 110.7 44.8 -60.1 -21.9 44.9 3.9 -0.4 161 161 A Y G < 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.409 360.0 360.0-104.7 -0.6 46.1 3.6 3.1 162 162 A K < 0 0 176 -3,-1.7 -2,-0.1 -4,-0.4 -3,-0.1 0.765 360.0 360.0-104.0 360.0 49.0 1.2 2.7