==== 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) 06-MAY-91 1L56 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.2 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 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 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 78 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 140.3 43.9 -2.0 9.0 2 2 A N >> - 0 0 72 1,-0.0 4,-2.4 95,-0.0 3,-0.6 -0.857 360.0 -93.8-135.1 167.3 40.9 -0.8 11.0 3 3 A I H 3> S+ 0 0 22 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.868 122.2 52.5 -50.2 -43.8 38.6 2.2 11.3 4 4 A F H 3> S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 111.9 44.5 -62.5 -39.9 40.7 3.7 14.1 5 5 A E H <> S+ 0 0 84 -3,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.833 112.0 54.5 -72.0 -33.2 44.0 3.5 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 111.8 41.7 -64.7 -49.8 42.3 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.4 0.782 108.0 60.9 -71.7 -26.0 41.0 7.9 10.7 8 8 A R H X S+ 0 0 114 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.894 107.4 46.7 -68.7 -28.8 44.3 8.4 12.6 9 9 A I H < S+ 0 0 52 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 115.9 44.9 -74.9 -43.1 45.9 8.7 9.2 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.759 125.1 27.7 -70.4 -32.9 43.2 11.1 7.9 11 11 A E H < S- 0 0 29 -4,-2.2 19,-0.4 1,-0.1 -1,-0.2 0.656 90.1-149.0-106.8 -27.5 43.0 13.4 10.9 12 12 A G < - 0 0 17 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.199 23.8 -86.3 81.0-177.6 46.3 13.3 12.6 13 13 A L + 0 0 64 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.5 171.6-138.0 122.5 46.9 13.8 16.3 14 14 A R E -A 28 0A 131 14,-1.3 14,-2.2 -2,-0.4 4,-0.1 -0.998 17.8-167.6-135.7 127.4 47.3 17.1 18.0 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.377 73.8 63.0 -93.1 -1.9 47.5 17.6 21.8 16 16 A K E S-C 57 0B 104 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.960 101.2 -86.5-124.5 145.3 47.1 21.4 21.7 17 17 A I E + 0 0 17 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.135 59.8 170.1 -49.0 145.1 44.0 23.3 20.5 18 18 A Y E -A 26 0A 29 8,-3.2 8,-3.0 -4,-0.1 2,-0.5 -0.893 36.2-100.2-150.6 173.8 44.2 23.9 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.905 33.3-142.3-107.3 134.3 42.4 25.1 13.8 20 20 A D > - 0 0 42 4,-2.6 3,-1.8 -2,-0.5 -1,-0.0 -0.131 40.6 -85.6 -78.5 176.4 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.877 131.8 53.3 -54.3 -38.0 41.0 22.9 7.7 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.436 122.5-104.1 -78.3 -3.5 37.7 24.9 8.0 23 23 A G S < S+ 0 0 37 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.403 76.8 138.8 92.3 2.8 39.1 27.3 10.6 24 24 A Y - 0 0 80 1,-0.1 -4,-2.6 -5,-0.1 2,-0.4 -0.565 62.3-102.3 -88.1 150.7 37.4 25.7 13.4 25 25 A Y E +AB 19 34A 31 9,-1.0 8,-2.9 11,-0.3 9,-1.3 -0.419 53.5 162.5 -68.4 115.1 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.2 -2,-0.4 2,-0.3 -0.839 17.7-172.0-131.5 164.3 39.7 21.3 17.1 27 27 A I E > + B 0 31A 0 4,-1.3 4,-1.7 -2,-0.3 2,-0.2 -0.972 51.6 0.6-156.2 154.6 41.8 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.3 -2,-0.3 2,-0.9 -0.367 121.5 -5.9 72.1-131.8 43.1 15.5 19.4 29 29 A I T 4 S- 0 0 7 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.703 127.9 -50.5-105.7 79.1 42.1 13.3 16.6 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.2 -19,-0.4 -2,-0.2 0.749 85.3 159.9 65.8 27.8 39.7 15.4 14.6 31 31 A H E < -B 27 0A 33 -4,-1.7 -4,-1.3 1,-0.0 -1,-0.2 -0.668 32.8-145.0 -85.3 98.4 37.6 16.3 17.6 32 32 A L E -B 26 0A 69 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.367 19.2-179.3 -60.9 128.2 35.7 19.5 16.7 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.3 -7,-0.2 0.885 59.7 -24.8 -93.2 -53.9 35.3 21.7 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-1.0 2,-0.1 -1,-0.3 -0.982 36.0-140.2-162.5 148.5 33.3 24.7 18.5 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 -3,-0.0 0.348 74.5 112.3 -91.1 0.8 32.5 26.5 15.2 36 36 A S S S- 0 0 37 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.518 72.8-132.0 -78.0 142.3 32.7 29.7 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.660 75.9 103.3 -69.7 -14.3 35.6 32.1 16.6 38 38 A S >> - 0 0 56 1,-0.2 4,-2.0 2,-0.1 3,-0.7 -0.616 56.9-159.5 -84.0 119.5 36.3 32.5 20.3 39 39 A L H 3> S+ 0 0 71 -2,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.739 101.1 54.8 -58.8 -24.3 39.5 30.7 21.5 40 40 A N H 3> S+ 0 0 121 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.829 100.8 54.9 -79.8 -33.1 37.8 31.0 24.9 41 41 A A H <> S+ 0 0 29 -3,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.930 111.2 50.8 -59.5 -41.5 34.6 29.4 23.6 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.876 107.0 47.4 -62.0 -52.6 37.1 26.6 22.7 43 43 A K H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 11,-0.3 0.781 112.8 53.3 -66.4 -21.8 38.9 26.1 26.0 44 44 A S H X S+ 0 0 68 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.918 109.3 44.1 -76.4 -48.3 35.6 26.1 27.6 45 45 A E H X S+ 0 0 64 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.945 114.4 56.3 -61.7 -41.0 34.1 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.924 106.8 42.9 -55.9 -55.8 37.4 21.6 26.0 47 47 A D H X>S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 5,-0.8 0.807 113.8 54.7 -61.5 -32.4 37.4 21.5 29.8 48 48 A K H <5S+ 0 0 144 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.918 110.0 46.2 -67.0 -44.1 33.7 20.5 29.7 49 49 A A H <5S+ 0 0 46 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.826 121.3 36.4 -68.9 -31.9 34.5 17.6 27.4 50 50 A I H <5S- 0 0 38 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.783 99.7-129.8 -93.8 -29.9 37.5 16.4 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.746 76.0 81.1 87.1 21.5 36.2 17.2 33.0 52 52 A R S - 0 0 7 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.644 32.0-148.8-104.7 -24.1 43.1 21.8 30.6 55 55 A N T 3 S- 0 0 117 1,-0.3 -2,-0.1 -12,-0.2 -11,-0.1 0.933 73.5 -45.3 54.0 60.6 43.9 25.2 29.5 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.440 120.1 95.8 65.5 2.7 44.1 24.3 25.7 57 57 A V B < -C 16 0B 61 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.958 46.4-179.6-132.2 135.2 46.2 21.2 26.2 58 58 A I - 0 0 3 -43,-2.6 -30,-0.1 -2,-0.4 -4,-0.0 -0.830 25.2-114.7-125.6 163.0 45.3 17.5 26.6 59 59 A T > - 0 0 60 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.330 32.6-107.5 -85.7 168.9 47.2 14.2 27.1 60 60 A P H > S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.925 121.8 53.0 -59.9 -45.0 47.5 11.3 24.6 61 61 A D H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.828 109.0 48.0 -57.0 -42.9 45.2 9.3 26.8 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 109.6 54.1 -67.5 -40.8 42.5 12.1 26.8 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -34,-0.4 0.850 111.1 45.6 -62.0 -35.7 42.9 12.4 23.0 64 64 A E H X S+ 0 0 101 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.846 107.9 55.2 -79.6 -33.3 42.2 8.7 22.7 65 65 A K H X S+ 0 0 134 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.909 109.3 48.3 -62.3 -39.5 39.3 8.6 25.0 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.877 109.2 54.0 -66.9 -35.5 37.8 11.3 22.9 67 67 A F H X S+ 0 0 13 -4,-1.4 4,-2.4 1,-0.2 5,-0.3 0.942 105.9 52.8 -65.7 -43.6 38.5 9.3 19.7 68 68 A N H X S+ 0 0 89 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.921 111.0 46.7 -57.2 -44.2 36.7 6.3 21.2 69 69 A Q H X S+ 0 0 96 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.881 112.3 49.9 -66.5 -41.1 33.6 8.4 21.9 70 70 A D H X S+ 0 0 37 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.865 111.4 46.4 -66.5 -40.0 33.5 10.0 18.5 71 71 A V H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.940 114.9 48.1 -68.8 -44.6 33.9 6.8 16.6 72 72 A D H X S+ 0 0 86 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.944 111.9 48.3 -60.5 -47.5 31.2 5.1 18.7 73 73 A A H X S+ 0 0 44 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.894 110.6 53.9 -62.3 -34.1 28.8 8.1 18.3 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.948 110.7 45.1 -64.9 -49.5 29.5 8.0 14.4 75 75 A V H X S+ 0 0 33 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.922 115.7 44.9 -61.2 -49.3 28.6 4.3 14.2 76 76 A R H X S+ 0 0 109 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.831 110.8 56.9 -63.4 -30.6 25.4 4.6 16.4 77 77 A G H X S+ 0 0 1 -4,-1.7 4,-0.5 -5,-0.3 -2,-0.2 0.942 109.0 44.1 -65.6 -48.5 24.5 7.7 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 7,-0.5 0.939 112.9 53.2 -58.9 -46.1 24.6 5.8 11.1 79 79 A L H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.3 41.8 -61.6 -30.9 22.6 3.0 12.7 80 80 A R H 3< S+ 0 0 175 -4,-1.7 2,-0.6 -3,-0.2 -1,-0.3 0.356 94.7 99.5 -94.1 -7.6 19.8 5.2 14.0 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.5 0.885 101.0 66.4 -85.5 -42.3 22.2 6.0 6.4 85 85 A K H X S+ 0 0 80 -4,-2.7 4,-3.2 -7,-0.5 5,-0.2 0.882 98.7 51.6 -50.2 -51.4 21.3 2.6 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.883 112.0 47.9 -57.5 -38.8 20.1 0.9 4.8 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-0.8 -3,-0.5 -2,-0.2 0.943 112.6 48.0 -66.0 -46.8 23.3 1.9 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.959 109.8 52.6 -58.0 -52.3 25.5 0.7 5.8 89 89 A D H 3< S+ 0 0 76 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.0 52.6 -52.7 -35.7 23.6 -2.6 6.0 90 90 A S H 3< S+ 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.592 96.2 89.7 -77.3 -13.6 24.1 -3.1 2.3 91 91 A L S << S- 0 0 7 -3,-1.7 31,-0.0 -4,-0.8 2,-0.0 -0.597 74.0-119.6 -88.8 159.0 27.9 -2.6 2.4 92 92 A D > - 0 0 53 -2,-0.2 4,-2.3 1,-0.0 5,-0.1 -0.210 46.5 -89.5 -78.4 166.4 30.8 -5.0 2.9 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.799 122.8 45.0 -51.7 -41.0 33.2 -4.5 5.9 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.912 113.6 47.6 -71.8 -50.2 35.7 -2.1 4.2 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.900 106.1 61.7 -61.9 -32.4 33.2 0.1 2.4 96 96 A R H X S+ 0 0 78 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.941 101.0 52.6 -52.9 -47.3 31.5 0.3 5.8 97 97 A C H X S+ 0 0 19 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.843 104.4 56.9 -55.5 -38.9 34.6 1.9 7.2 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.884 107.1 46.1 -62.7 -42.9 34.5 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 5,-0.2 0.902 110.7 53.6 -68.3 -40.1 31.0 5.7 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.954 106.8 53.4 -58.7 -42.6 32.0 5.8 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 109.5 47.2 -55.1 -52.8 35.0 8.0 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.858 112.2 50.1 -53.0 -46.2 32.7 10.5 6.1 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.881 108.5 52.7 -65.3 -36.3 30.2 10.7 9.0 104 104 A F H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.952 118.1 36.9 -63.3 -44.7 33.1 11.3 11.4 105 105 A Q H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.869 132.6 20.7 -75.7 -42.8 34.3 14.2 9.3 106 106 A M H X S- 0 0 51 -4,-2.8 4,-0.7 -5,-0.1 -3,-0.2 0.415 103.1-118.7-116.3 2.6 31.1 15.8 8.0 107 107 A G H X - 0 0 34 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.215 34.7 -75.8 70.4 160.1 28.5 14.6 10.4 108 108 A E H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 127.5 54.9 -55.1 -43.9 25.3 12.6 9.8 109 109 A T H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.920 107.9 46.5 -63.4 -45.8 23.5 15.3 8.3 110 110 A G H < S+ 0 0 32 -4,-0.7 3,-0.4 2,-0.2 -2,-0.2 0.887 112.9 49.1 -67.2 -39.4 26.0 16.2 5.7 111 111 A V H >< S+ 0 0 1 -4,-2.0 3,-2.7 1,-0.2 -2,-0.2 0.951 106.4 56.8 -67.2 -43.2 26.5 12.7 4.6 112 112 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.708 96.3 66.7 -61.7 -12.7 22.8 12.1 4.3 113 113 A G T 3< S+ 0 0 57 -4,-0.7 2,-1.4 -3,-0.4 -1,-0.3 0.595 76.1 85.6 -82.1 -8.6 22.7 15.0 1.9 114 114 A F <> + 0 0 41 -3,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.386 57.5 158.0 -89.4 59.5 24.7 13.0 -0.6 115 115 A T H > + 0 0 88 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.884 67.1 44.1 -48.8 -54.9 21.4 11.4 -1.9 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.884 113.9 48.4 -66.8 -39.9 22.5 10.4 -5.3 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 109.6 53.7 -65.9 -41.0 25.8 8.9 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.951 107.0 52.6 -57.6 -47.8 24.0 7.0 -1.4 119 119 A R H X S+ 0 0 110 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.880 110.1 48.3 -53.6 -44.0 21.7 5.5 -4.0 120 120 A M H X>S+ 0 0 26 -4,-1.7 5,-2.2 2,-0.2 4,-0.5 0.872 109.9 50.6 -69.0 -39.2 24.7 4.4 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.981 108.6 52.3 -65.3 -48.3 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 111.0 48.5 -53.1 -31.8 23.4 0.9 -2.3 123 123 A Q H 3<5S- 0 0 91 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.484 112.9-121.0 -89.4 0.3 23.2 -0.4 -5.9 124 124 A K T <<5 + 0 0 98 -3,-2.3 2,-1.1 -4,-0.5 -3,-0.2 0.798 62.1 146.6 64.7 32.8 26.8 -1.4 -5.9 125 125 A R >< + 0 0 125 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.719 20.1 173.5-100.4 77.9 27.7 0.9 -8.8 126 126 A W H > S+ 0 0 50 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.858 70.6 44.4 -57.1 -53.7 31.2 1.6 -7.6 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.862 114.5 52.6 -63.6 -34.7 32.7 3.6 -10.4 128 128 A E H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.922 110.2 45.3 -71.7 -40.7 29.5 5.6 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.884 107.4 58.5 -67.3 -38.5 29.4 6.6 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.902 109.3 45.8 -54.4 -47.5 33.2 7.5 -7.1 131 131 A V H < S+ 0 0 88 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.801 114.3 47.8 -67.1 -35.8 32.6 10.0 -9.9 132 132 A N H >< S+ 0 0 39 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.905 107.5 53.7 -73.7 -41.4 29.5 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -2,-0.2 0.846 101.9 61.3 -58.7 -35.8 31.1 11.8 -4.7 134 134 A A T 3< S+ 0 0 25 -4,-1.2 2,-1.4 1,-0.2 -1,-0.2 0.617 85.6 80.3 -67.6 -19.7 34.0 13.8 -6.3 135 135 A K S < S+ 0 0 155 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 -0.571 81.0 93.4 -88.8 69.3 31.5 16.5 -7.4 136 136 A S S > S- 0 0 18 -2,-1.4 4,-2.3 1,-0.1 3,-0.3 -0.998 86.7-113.4-158.6 156.8 31.3 18.2 -4.1 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.918 116.2 63.5 -56.4 -39.2 32.6 20.9 -1.9 138 138 A W H > S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 106.2 41.1 -50.4 -52.5 34.0 18.0 0.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.894 115.2 51.7 -65.7 -44.0 36.3 16.8 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.2 42.4 -61.9 -39.1 37.3 20.3 -3.6 141 141 A Q H < S+ 0 0 105 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.795 131.8 18.7 -78.1 -35.0 38.3 21.4 -0.1 142 142 A T S X S+ 0 0 25 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 -0.564 72.3 163.4-138.1 69.5 40.2 18.2 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.782 69.4 52.2 -63.1 -38.3 41.0 16.4 -2.2 144 144 A N H > S+ 0 0 116 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.925 116.6 39.4 -68.4 -44.1 43.7 14.0 -0.9 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 115.3 52.6 -68.2 -43.4 41.6 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.947 109.8 50.2 -56.9 -45.7 38.4 12.6 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.861 107.9 52.1 -61.8 -37.1 40.3 10.6 -2.9 148 148 A R H X S+ 0 0 50 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.959 113.8 44.0 -64.4 -42.9 41.5 8.2 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.905 112.8 51.1 -65.6 -42.3 37.9 7.7 0.8 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.943 108.2 52.2 -60.9 -47.8 36.6 7.5 -2.7 151 151 A T H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 6,-0.4 0.827 106.1 55.2 -56.0 -38.0 39.2 4.9 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.893 112.2 42.4 -64.4 -39.9 38.0 2.8 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.872 114.8 51.1 -71.8 -38.3 34.4 2.9 -1.9 154 154 A R H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.914 125.7 22.0 -65.0 -46.2 35.5 2.3 -5.5 155 155 A T H < S- 0 0 41 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.623 84.2-135.5-100.6 -27.1 37.7 -0.8 -4.7 156 156 A G S < S+ 0 0 17 -4,-1.9 2,-0.2 -5,-0.4 -62,-0.2 0.679 73.7 102.6 74.8 14.4 36.5 -2.2 -1.5 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.767 80.1-119.7-124.5 169.2 40.3 -2.6 -0.5 158 158 A W S >> S+ 0 0 30 -2,-0.2 3,-1.3 1,-0.2 4,-0.5 0.072 71.5 123.0 -92.7 21.0 42.6 -0.6 1.8 159 159 A D H >> + 0 0 99 1,-0.2 3,-1.4 2,-0.2 4,-0.8 0.877 65.5 58.2 -51.4 -41.4 45.0 0.2 -1.0 160 160 A A H 34 S+ 0 0 16 -3,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.751 113.0 38.5 -63.0 -24.7 44.8 4.0 -0.6 161 161 A Y H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.268 97.1 79.6-104.9 1.2 46.0 3.8 2.9 162 162 A K H << S+ 0 0 135 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.809 91.0 55.0 -82.6 -23.5 48.5 1.1 2.4 163 163 A N < 0 0 138 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.904 360.0 360.0 -55.4 -58.6 50.8 3.6 1.1 164 164 A L 0 0 115 -4,-0.3 -2,-0.2 0, 0.0 -1,-0.2 0.525 360.0 360.0 -75.1 360.0 50.5 5.8 4.2