==== 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) 05-FEB-88 1L15 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAO-PIN,T.ALBER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8714.0 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 1 1 0 1 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 90 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.5 36.9 -23.5 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.7 1,-0.0 3,-0.2 -0.828 360.0 -87.5-138.5 174.3 34.8 -21.0 11.0 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.848 123.2 51.3 -53.7 -43.1 34.5 -17.3 11.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.909 112.9 44.1 -64.7 -40.9 37.1 -17.1 14.2 5 5 A E H > S+ 0 0 88 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.894 113.3 52.8 -70.8 -39.2 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 3,-0.3 0.948 112.0 43.1 -59.5 -55.6 38.9 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.4 0.789 108.6 59.3 -66.4 -24.1 39.3 -13.6 10.8 8 8 A R H X S+ 0 0 92 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.913 104.1 49.4 -76.6 -25.3 42.3 -14.7 12.5 9 9 A I H < S+ 0 0 60 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.941 116.8 43.7 -68.3 -45.8 44.0 -15.5 9.2 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.801 124.6 29.9 -72.3 -32.1 43.0 -12.0 8.0 11 11 A E H < S- 0 0 37 -4,-2.2 19,-0.3 -5,-0.2 -1,-0.2 0.782 90.2-153.0-101.9 -32.5 43.8 -10.0 11.1 12 12 A G < - 0 0 19 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.1 -0.227 23.6 -86.1 83.4-177.5 46.7 -11.7 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.986 43.0 169.8-136.1 125.3 47.5 -11.7 16.5 14 14 A R E -A 28 0A 126 14,-1.0 14,-2.5 -2,-0.4 4,-0.1 -0.990 19.6-164.9-139.3 125.7 49.7 -9.0 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.448 73.4 65.9 -92.2 -3.3 50.0 -8.6 21.9 16 16 A K E S-C 57 0B 121 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.881 100.6 -87.8-117.1 144.7 51.5 -5.0 21.8 17 17 A I E + 0 0 23 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.303 59.3 171.9 -53.1 137.5 49.8 -1.8 20.6 18 18 A Y E -A 26 0A 34 8,-2.9 8,-3.1 -4,-0.1 2,-0.3 -0.852 31.6 -99.7-141.4 171.0 50.3 -1.5 16.8 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.849 32.7-124.6-101.4 141.0 49.1 0.6 13.8 20 20 A D > - 0 0 54 4,-2.2 3,-1.6 -2,-0.3 -1,-0.1 -0.061 36.6 -99.0 -55.0 170.2 46.5 -0.5 11.2 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.771 134.5 54.8 -63.9 -25.2 47.0 -0.6 7.6 22 22 A E T 3 S- 0 0 85 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.441 126.0-105.3 -85.9 -4.1 45.3 2.7 8.1 23 23 A G S < S+ 0 0 36 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.495 74.9 141.5 86.7 9.6 47.8 3.9 10.6 24 24 A Y - 0 0 71 1,-0.1 -4,-2.2 -5,-0.0 2,-0.4 -0.610 59.4-104.8 -91.9 149.6 45.4 3.4 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.3 11,-0.3 9,-1.4 -0.503 53.6 158.4 -67.6 122.0 46.2 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.9 -2,-0.4 2,-0.3 -0.859 20.6-167.4-138.6 164.6 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 -12,-0.2 -0.981 51.8 0.6-150.7 161.2 45.8 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 2,-1.1 -2,-0.3 -14,-1.0 -0.357 123.5 -3.3 72.1-132.9 45.1 -8.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.622 128.5 -55.4 -98.6 69.7 43.0 -9.7 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.1 2,-1.1 -19,-0.3 -2,-0.2 0.762 82.1 161.3 65.2 29.9 42.3 -6.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.5 32,-0.0 -1,-0.2 -0.673 32.2-145.0 -82.0 97.0 40.7 -4.6 17.8 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.416 18.4-176.4 -60.4 127.0 40.9 -0.9 16.8 33 33 A L E - 0 0 16 -8,-3.3 2,-0.3 1,-0.3 -7,-0.2 0.888 59.7 -16.6 -93.0 -48.4 41.5 1.2 19.9 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.3 -0.997 37.6-143.4-152.0 153.4 41.4 4.8 18.7 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.451 75.1 110.8 -94.2 -2.9 41.5 6.7 15.4 36 36 A S S S- 0 0 37 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.448 74.9-128.4 -71.1 140.7 43.4 9.4 17.4 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.632 76.9 97.7 -71.7 -10.6 47.1 10.0 16.8 38 38 A S > - 0 0 55 1,-0.2 4,-2.0 2,-0.0 3,-0.4 -0.700 58.0-156.7 -92.3 129.3 48.2 9.8 20.4 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.707 100.6 60.1 -61.5 -23.8 49.7 6.6 21.7 40 40 A N H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.921 101.0 48.3 -76.6 -39.0 48.5 8.0 24.9 41 41 A A H > S+ 0 0 33 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.886 113.7 51.9 -61.2 -35.2 44.8 8.2 24.0 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.863 106.4 51.4 -70.2 -41.0 45.3 4.6 22.8 43 43 A K H X S+ 0 0 46 -4,-1.9 4,-2.0 2,-0.2 11,-0.3 0.843 109.4 51.2 -64.7 -33.0 46.8 3.4 26.0 44 44 A S H X S+ 0 0 71 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.905 109.0 49.2 -72.7 -39.3 43.9 4.8 27.9 45 45 A E H X S+ 0 0 65 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.926 109.3 55.0 -64.8 -41.9 41.4 3.1 25.7 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.936 108.6 44.8 -57.6 -51.7 43.2 -0.1 26.2 47 47 A D H X>S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 5,-0.9 0.848 113.4 52.1 -62.3 -35.4 43.1 -0.0 30.0 48 48 A K H <5S+ 0 0 145 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.912 111.6 47.6 -64.0 -42.3 39.5 1.0 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 121.8 33.2 -69.5 -34.0 38.8 -2.0 27.5 50 50 A I H <5S- 0 0 39 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.717 101.1-125.9 -95.5 -32.1 40.7 -4.6 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.1 2,-0.3 1,-0.4 -3,-0.2 0.800 77.4 73.4 86.3 29.6 40.0 -3.2 33.1 52 52 A R S - 0 0 3 -2,-0.9 3,-1.7 -11,-0.3 -1,-0.2 0.695 31.5-145.5 -99.1 -24.5 48.2 -2.7 30.7 55 55 A N T 3 S- 0 0 122 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.844 75.4 -54.4 59.9 38.8 50.9 -0.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.538 119.9 99.1 76.3 5.5 50.3 -1.1 26.1 57 57 A V B < +C 16 0B 63 -3,-1.7 2,-0.2 -41,-0.2 -41,-0.2 -0.973 45.4 179.8-131.9 133.7 50.6 -4.8 26.4 58 58 A I - 0 0 6 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.710 25.8-111.6-120.2 169.9 47.9 -7.6 26.8 59 59 A T > - 0 0 64 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.511 32.6-107.9 -91.1 166.7 47.9 -11.5 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 122.1 56.0 -58.3 -48.3 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.850 106.9 45.7 -44.7 -51.8 43.8 -14.5 26.9 62 62 A E H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 110.5 56.4 -68.9 -36.1 42.8 -10.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -34,-0.4 0.905 108.3 45.4 -64.0 -42.9 43.2 -10.8 23.1 64 64 A E H X S+ 0 0 85 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.796 108.8 56.9 -72.5 -27.3 40.8 -13.6 22.6 65 65 A K H X S+ 0 0 119 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.925 108.8 45.7 -67.3 -41.5 38.3 -12.1 25.0 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.885 111.9 53.9 -64.5 -38.7 38.3 -8.9 23.0 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.941 106.0 51.0 -64.9 -46.2 38.0 -11.0 19.8 68 68 A N H X S+ 0 0 91 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.943 112.8 47.0 -54.5 -44.3 34.9 -12.9 21.2 69 69 A Q H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 111.3 50.4 -63.8 -44.7 33.2 -9.5 22.0 70 70 A D H X S+ 0 0 38 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.875 111.3 47.0 -60.8 -43.1 34.0 -8.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.947 112.9 50.2 -64.2 -48.4 32.7 -11.0 16.6 72 72 A D H X S+ 0 0 81 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.928 111.5 48.5 -53.8 -45.9 29.5 -11.1 18.8 73 73 A A H X S+ 0 0 45 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.886 108.8 53.6 -66.7 -36.5 29.0 -7.3 18.2 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.962 111.0 44.7 -63.4 -50.6 29.5 -7.7 14.4 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.922 115.4 48.2 -58.3 -46.4 26.8 -10.4 14.1 76 76 A R H X S+ 0 0 130 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.855 109.7 53.6 -64.7 -34.0 24.4 -8.4 16.3 77 77 A G H X S+ 0 0 3 -4,-2.2 4,-0.7 -5,-0.3 3,-0.3 0.938 108.9 47.7 -68.4 -41.7 25.1 -5.4 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 7,-0.5 0.942 111.8 51.0 -57.1 -48.8 24.2 -7.2 11.1 79 79 A L H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.699 112.5 46.6 -64.3 -23.9 21.0 -8.5 12.7 80 80 A R H 3< S+ 0 0 186 -4,-1.5 2,-0.6 -3,-0.3 -1,-0.3 0.435 92.7 96.2 -94.7 -12.1 20.0 -5.0 13.9 81 81 A N S+ 0 0 138 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.814 120.4 40.8 -85.3 -33.1 20.0 -3.0 5.2 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.3 0.867 101.4 66.6 -85.3 -42.2 22.2 -5.9 6.4 85 85 A K H X S+ 0 0 77 -4,-2.9 4,-2.7 -7,-0.5 5,-0.2 0.852 98.6 50.4 -48.7 -50.9 19.7 -8.3 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.893 112.6 47.5 -62.0 -38.0 17.9 -9.2 4.7 87 87 A V H X S+ 0 0 4 -4,-0.5 4,-0.9 -3,-0.3 3,-0.4 0.975 112.3 49.8 -65.4 -48.5 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.928 110.1 50.3 -52.5 -52.5 22.4 -12.1 5.8 89 89 A D H 3< S+ 0 0 74 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.814 108.2 53.7 -59.6 -31.9 19.2 -14.1 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.653 96.6 89.2 -78.2 -16.0 19.3 -14.8 2.4 91 91 A L S << S- 0 0 6 -3,-1.3 31,-0.0 -4,-0.9 2,-0.0 -0.515 74.4-119.7 -87.8 157.5 22.8 -16.2 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.207 43.8 -91.5 -78.2 173.4 24.2 -19.7 3.0 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.858 122.2 46.0 -60.2 -43.3 26.6 -20.4 6.0 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.1 2,-0.2 3,-0.4 0.942 114.4 46.3 -66.5 -50.8 29.9 -19.8 4.2 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.861 104.7 63.2 -62.3 -32.4 28.8 -16.6 2.5 96 96 A R H X S+ 0 0 79 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.937 100.3 53.7 -55.2 -42.1 27.4 -15.4 5.8 97 97 A C H X S+ 0 0 18 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.861 103.6 55.9 -60.9 -37.0 30.9 -15.6 7.2 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.864 107.5 47.8 -65.0 -35.4 32.2 -13.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.2 -2,-0.2 0.903 109.9 53.3 -72.1 -38.2 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 7 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.923 106.5 53.0 -57.9 -43.0 30.7 -10.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.924 109.1 49.3 -57.6 -50.0 34.4 -10.4 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.894 111.3 48.6 -57.2 -48.8 33.5 -7.2 6.0 103 103 A V H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 109.7 52.7 -59.1 -43.6 31.5 -5.8 8.9 104 104 A F H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.920 117.2 38.5 -57.9 -43.6 34.4 -6.6 11.4 105 105 A Q H < S+ 0 0 60 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 133.7 18.5 -77.2 -40.6 36.9 -4.8 9.2 106 106 A M H X S- 0 0 55 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.522 102.1-116.5-116.6 -3.1 34.8 -1.9 8.0 107 107 A G H X - 0 0 31 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.225 34.8 -78.2 77.4 156.6 31.9 -1.5 10.4 108 108 A E H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.836 128.8 51.4 -50.6 -51.1 28.1 -1.8 9.7 109 109 A T H > S+ 0 0 117 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.947 107.4 50.6 -60.6 -50.2 27.9 1.6 8.2 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.915 114.7 42.5 -57.2 -48.1 30.7 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.7 1,-0.2 -1,-0.2 0.901 105.1 63.0 -67.7 -39.3 29.3 -2.2 4.4 112 112 A A H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.716 95.5 65.8 -60.1 -14.9 25.7 -0.9 4.3 113 113 A G T << S+ 0 0 54 -4,-0.9 2,-1.3 -3,-0.8 3,-0.3 0.582 75.1 85.0 -80.3 -11.2 27.2 1.6 1.8 114 114 A F <> + 0 0 40 -3,-2.7 4,-2.1 1,-0.2 3,-0.3 -0.267 57.7 158.5 -85.9 53.0 27.9 -1.2 -0.7 115 115 A T H > + 0 0 90 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.831 65.2 44.8 -41.3 -56.1 24.3 -0.8 -2.0 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.893 114.0 47.3 -66.4 -41.5 24.7 -2.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.858 109.6 54.4 -65.5 -39.8 26.8 -5.3 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 108.0 51.1 -56.7 -45.1 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 116 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.928 111.2 47.3 -58.7 -48.7 21.5 -6.2 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.874 109.8 52.0 -65.0 -39.5 23.5 -8.6 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.937 108.8 51.8 -64.8 -41.3 24.4 -10.9 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.887 109.2 49.7 -62.3 -32.4 20.7 -11.0 -2.4 123 123 A Q T 3<5S- 0 0 98 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.494 113.6-121.6 -79.6 -5.4 19.9 -11.9 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.8 2,-1.2 -4,-0.4 -3,-0.2 0.783 61.8 147.0 64.3 34.7 22.5 -14.7 -5.9 125 125 A R >< + 0 0 129 -5,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.716 19.4 172.4 -99.0 74.7 24.4 -13.2 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.888 69.6 45.6 -55.4 -51.5 27.8 -14.3 -7.5 127 127 A D H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 115.3 48.3 -64.7 -42.0 30.0 -13.4 -10.4 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.879 110.8 49.6 -63.4 -45.1 28.4 -10.0 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.830 108.1 54.3 -62.5 -37.2 28.7 -9.1 -7.3 130 130 A A H X S+ 0 0 9 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.888 108.6 48.9 -64.4 -41.2 32.4 -10.1 -7.1 131 131 A V H < S+ 0 0 93 -4,-1.7 4,-0.4 1,-0.2 3,-0.3 0.939 114.4 45.9 -61.4 -46.9 33.2 -7.8 -10.0 132 132 A N H >< S+ 0 0 46 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.827 107.6 55.9 -63.3 -40.4 31.3 -4.9 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.860 101.1 60.3 -61.1 -34.5 32.9 -5.5 -4.8 134 134 A A T 3< S+ 0 0 24 -4,-1.1 2,-1.7 -3,-0.3 -1,-0.2 0.692 85.1 79.9 -70.7 -18.2 36.3 -5.1 -6.4 135 135 A K S < S+ 0 0 146 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 -0.500 81.1 96.2 -85.6 64.1 35.5 -1.6 -7.6 136 136 A S S > S- 0 0 20 -2,-1.7 4,-2.2 1,-0.1 3,-0.2 -0.989 85.1-115.3-152.3 156.6 36.2 -0.1 -4.1 137 137 A R H > S+ 0 0 136 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.923 116.2 63.5 -56.4 -41.4 38.8 1.7 -2.0 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.886 105.3 41.6 -48.7 -52.3 38.6 -1.5 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.915 116.2 49.2 -67.3 -41.2 39.9 -3.7 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.840 115.1 42.9 -67.9 -34.5 42.5 -1.2 -3.7 141 141 A Q H < S+ 0 0 100 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 132.2 19.2 -80.6 -37.1 43.9 -0.6 -0.2 142 142 A T S X S+ 0 0 22 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 -0.537 73.3 163.3-136.4 67.4 43.9 -4.3 1.0 143 143 A P H > + 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.823 69.8 50.2 -55.3 -45.9 43.8 -6.3 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.925 116.8 40.8 -66.3 -44.8 44.9 -9.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.1 3,-0.4 0.932 115.6 51.2 -63.5 -48.3 42.4 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.2 5,-0.3 0.933 110.0 51.6 -56.6 -42.1 39.6 -8.3 -0.2 147 147 A K H X S+ 0 0 84 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.858 106.3 51.9 -69.2 -27.5 40.2 -11.0 -2.8 148 148 A R H X S+ 0 0 50 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.2 0.916 114.4 43.9 -66.6 -46.3 40.0 -13.8 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.920 113.6 51.4 -65.1 -42.8 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 9 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.908 108.2 49.8 -63.2 -43.7 35.5 -11.9 -2.6 151 151 A T H X S+ 0 0 36 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.847 107.7 57.0 -62.2 -34.9 36.3 -15.4 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.919 110.2 42.2 -63.8 -41.0 34.4 -16.6 -0.7 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.832 115.6 51.9 -71.9 -35.8 31.3 -14.8 -1.9 154 154 A R H < S+ 0 0 81 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.933 124.1 22.8 -64.8 -46.9 31.9 -15.9 -5.4 155 155 A T H < S- 0 0 52 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.730 82.4-137.7 -97.6 -31.6 32.3 -19.6 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.2 -5,-0.3 -62,-0.2 0.642 73.4 98.7 78.6 11.8 30.6 -20.4 -1.4 157 157 A V S S- 0 0 60 -6,-0.3 3,-0.4 -5,-0.1 -1,-0.3 -0.819 79.7-118.6-128.1 168.3 33.5 -22.6 -0.3 158 158 A W S > S+ 0 0 36 -2,-0.2 3,-1.6 1,-0.2 4,-0.4 0.230 72.3 117.3 -94.2 12.7 36.6 -22.1 1.9 159 159 A D T >> + 0 0 91 1,-0.2 3,-1.2 2,-0.2 4,-0.8 0.738 65.9 63.6 -50.4 -35.6 39.3 -22.6 -0.7 160 160 A A H 3> S+ 0 0 15 -3,-0.4 4,-0.6 1,-0.3 -1,-0.2 0.720 109.3 43.4 -62.7 -21.6 40.8 -19.0 -0.5 161 161 A Y H <4 S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.397 97.5 76.3-102.6 -4.7 41.7 -19.8 3.1 162 162 A K H <4 S+ 0 0 135 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.755 95.1 49.9 -72.9 -41.4 43.0 -23.3 2.4 163 163 A N H < 0 0 127 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.1 0.995 360.0 360.0 -58.6 -62.3 46.1 -21.9 1.0 164 164 A L < 0 0 110 -4,-0.6 -1,-0.3 0, 0.0 -2,-0.1 -0.017 360.0 360.0 -63.5 360.0 46.5 -19.7 4.1