==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 11-JAN-89 1LYD . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.R.ROSE . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8875.0 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 . 6 3.7 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 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 88 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.7 13.0 51.0 106.1 2 2 A N > - 0 0 68 95,-0.0 4,-2.7 92,-0.0 5,-0.1 -0.857 360.0 -86.9-143.5 171.3 9.9 51.8 108.1 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.827 125.6 53.4 -56.8 -38.9 7.8 55.0 108.5 4 4 A F H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 110.6 45.5 -66.2 -45.6 10.0 56.3 111.3 5 5 A E H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.829 114.3 50.5 -64.0 -38.8 13.1 55.9 109.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 3,-0.4 0.944 113.1 42.6 -63.8 -55.7 11.4 57.5 106.3 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.906 108.7 61.6 -60.9 -35.8 10.1 60.6 108.1 8 8 A R H X S+ 0 0 81 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.850 107.3 44.3 -51.9 -43.9 13.4 60.9 109.8 9 9 A I H < S+ 0 0 54 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.931 115.5 46.1 -69.3 -48.7 15.1 61.3 106.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.840 124.8 31.3 -66.9 -33.9 12.5 63.8 105.1 11 11 A E H < S- 0 0 45 -4,-3.3 19,-0.4 -5,-0.1 -1,-0.2 0.656 87.6-157.6 -99.0 -21.1 12.4 65.9 108.2 12 12 A G < - 0 0 32 -4,-2.3 2,-0.4 -5,-0.3 -1,-0.1 -0.045 29.4 -84.8 68.5-177.3 15.9 65.8 109.8 13 13 A L + 0 0 54 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.998 40.8 174.7-131.5 135.5 16.3 66.5 113.5 14 14 A R E -A 28 0A 137 14,-1.1 14,-2.6 -2,-0.4 4,-0.1 -0.992 17.3-165.9-140.5 127.2 16.8 69.8 115.3 15 15 A L E S+ 0 0 54 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.530 75.4 66.0 -90.3 -2.3 16.9 70.3 119.0 16 16 A K E S-C 57 0B 145 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.849 100.2 -90.6-116.9 149.8 16.4 74.0 118.8 17 17 A I E + 0 0 30 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.394 58.0 169.7 -58.5 131.7 13.4 76.0 117.6 18 18 A Y E -A 26 0A 31 8,-2.8 8,-2.9 -4,-0.1 2,-0.4 -0.812 35.2 -97.4-137.4 172.4 13.9 76.5 113.8 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.871 36.2-125.3-103.1 133.7 11.7 77.8 110.9 20 20 A D > - 0 0 55 4,-3.3 3,-1.4 -2,-0.4 -1,-0.1 0.083 37.6 -91.8 -47.1 176.0 9.9 75.4 108.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.791 137.4 47.9 -60.9 -36.9 10.3 75.3 104.7 22 22 A E T 3 S- 0 0 92 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.371 128.6-103.3 -86.4 6.3 7.3 77.7 105.0 23 23 A G S < S+ 0 0 36 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.687 74.1 143.8 79.0 26.9 9.0 79.8 107.7 24 24 A Y - 0 0 67 1,-0.1 -4,-3.3 9,-0.0 2,-0.3 -0.748 58.7-100.7-100.3 147.6 7.0 78.3 110.6 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.8 11,-0.3 9,-1.4 -0.436 56.1 158.2 -70.6 124.1 8.3 77.6 114.1 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-2.8 -2,-0.3 2,-0.3 -0.896 20.7-167.7-138.2 163.8 9.1 73.9 114.4 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.3 -2,-0.3 -12,-0.2 -0.988 52.2 2.4-148.4 164.6 11.3 71.6 116.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.1 -2,-0.3 2,-1.0 -0.452 123.1 -4.5 67.5-131.2 12.5 68.0 116.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.647 129.8 -51.6 -99.3 77.2 11.4 65.8 113.7 30 30 A G T 4 S+ 0 0 17 -2,-1.0 2,-1.2 -19,-0.4 -2,-0.2 0.849 84.6 162.2 61.3 36.7 9.2 68.2 111.8 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.6 2,-0.0 -1,-0.2 -0.715 30.4-145.8 -92.9 98.2 7.0 69.1 114.9 32 32 A L E -B 26 0A 69 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.339 17.4-175.5 -59.8 132.2 5.2 72.3 114.0 33 33 A L E - 0 0 13 -8,-3.8 2,-0.3 1,-0.4 -7,-0.2 0.815 60.2 -29.9 -94.7 -44.8 4.8 74.6 117.0 34 34 A T E -B 25 0A 31 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.924 34.7-134.4-168.9 155.5 2.7 77.4 115.6 35 35 A K S S+ 0 0 120 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.404 75.5 112.0 -94.3 -5.6 2.0 79.3 112.4 36 36 A S S S- 0 0 38 1,-0.1 -11,-0.3 2,-0.1 6,-0.2 -0.494 73.5-130.0 -68.7 138.0 2.2 82.6 114.5 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.423 76.0 100.9 -70.8 -3.0 5.2 84.8 113.7 38 38 A S > - 0 0 50 1,-0.1 4,-1.9 -13,-0.0 3,-0.3 -0.790 60.2-154.9 -95.2 128.7 6.2 85.2 117.3 39 39 A L H > S+ 0 0 69 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.781 100.7 61.4 -62.9 -27.1 9.1 83.3 118.8 40 40 A N H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 102.1 47.2 -68.6 -41.0 7.2 83.9 122.1 41 41 A A H > S+ 0 0 30 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.911 112.4 52.3 -64.4 -45.2 4.1 82.0 120.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.879 109.9 46.4 -56.3 -50.6 6.4 79.2 119.8 43 43 A K H X S+ 0 0 53 -4,-2.3 4,-2.8 2,-0.3 11,-0.2 0.862 111.6 52.4 -64.9 -35.5 8.2 78.9 123.1 44 44 A S H X S+ 0 0 74 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.926 112.5 45.8 -66.9 -42.8 4.8 79.0 124.9 45 45 A E H X S+ 0 0 66 -4,-2.7 4,-2.5 1,-0.2 -2,-0.3 0.904 111.2 51.9 -68.2 -38.5 3.7 76.2 122.6 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.922 109.5 49.5 -61.1 -45.6 6.9 74.2 123.1 47 47 A D H X>S+ 0 0 32 -4,-2.8 4,-3.2 1,-0.2 5,-1.1 0.925 112.1 48.3 -61.6 -43.5 6.5 74.5 126.9 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.9 49.8 -57.3 -47.6 2.9 73.2 126.7 49 49 A A H <5S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 121.7 31.9 -62.9 -43.7 3.9 70.4 124.5 50 50 A I H <5S- 0 0 40 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.724 99.0-130.4 -88.0 -29.1 6.8 69.1 126.7 51 51 A G T <5S+ 0 0 66 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.930 75.4 75.8 75.6 45.9 5.3 70.1 130.1 52 52 A R S - 0 0 6 -2,-0.9 3,-0.8 -11,-0.2 -1,-0.2 0.782 30.0-151.9 -92.9 -40.6 12.4 74.4 127.7 55 55 A N T 3 S- 0 0 121 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.872 76.5 -50.1 57.6 49.4 13.5 77.9 126.7 56 56 A G T 3 S+ 0 0 10 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.451 120.8 95.9 76.3 9.9 13.5 76.8 123.1 57 57 A V B < +C 16 0B 67 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.968 44.8 179.5-137.2 138.8 15.5 73.6 123.5 58 58 A I - 0 0 7 -43,-2.1 2,-0.3 -2,-0.4 -30,-0.1 -0.825 28.1-109.5-127.5 170.6 14.5 70.0 124.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.657 31.8-110.9 -98.1 162.1 16.4 66.7 124.4 60 60 A K H > S+ 0 0 89 1,-0.3 4,-2.2 -2,-0.3 5,-0.2 0.797 120.1 57.0 -58.3 -35.4 16.5 64.0 121.8 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.883 108.4 46.4 -61.2 -46.4 14.3 61.8 124.0 62 62 A E H > S+ 0 0 30 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.921 110.6 53.9 -67.1 -37.2 11.7 64.6 124.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -34,-0.4 0.868 109.8 46.2 -62.9 -45.2 12.1 64.9 120.2 64 64 A E H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.772 109.7 55.9 -69.2 -29.6 11.4 61.2 119.6 65 65 A K H X S+ 0 0 126 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.914 107.6 46.8 -69.6 -45.5 8.5 61.4 122.0 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.823 112.4 52.9 -64.7 -34.1 6.9 64.2 120.0 67 67 A F H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.816 105.7 51.7 -65.2 -42.7 7.6 62.1 116.9 68 68 A N H X S+ 0 0 91 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 112.5 47.1 -56.8 -43.5 5.9 59.0 118.4 69 69 A Q H X S+ 0 0 100 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.935 112.8 49.1 -64.9 -41.7 2.8 61.1 119.1 70 70 A D H X S+ 0 0 39 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.881 111.5 46.5 -69.4 -39.6 2.8 62.7 115.6 71 71 A V H X S+ 0 0 7 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.936 114.4 49.1 -66.0 -49.9 3.1 59.4 113.6 72 72 A D H X S+ 0 0 110 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.886 112.1 49.8 -50.7 -45.7 0.4 57.9 115.8 73 73 A A H X S+ 0 0 58 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.890 108.2 52.3 -63.9 -38.9 -1.7 60.9 115.2 74 74 A A H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 110.9 47.0 -63.8 -44.9 -1.2 60.8 111.4 75 75 A V H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.905 115.0 45.3 -60.2 -49.6 -2.3 57.1 111.2 76 76 A R H X S+ 0 0 87 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.937 110.4 54.2 -62.1 -43.4 -5.4 57.7 113.4 77 77 A G H >X S+ 0 0 14 -4,-2.9 4,-1.4 1,-0.2 3,-0.8 0.956 110.5 47.8 -56.3 -48.6 -6.3 60.8 111.4 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.3 7,-0.3 0.896 110.8 49.9 -52.2 -57.2 -6.1 58.8 108.2 79 79 A L H 3< S+ 0 0 62 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.557 113.9 46.0 -62.5 -21.2 -8.3 55.9 109.6 80 80 A R H << S+ 0 0 189 -4,-1.5 2,-0.5 -3,-0.8 -1,-0.3 0.582 91.2 94.0 -93.4 -21.0 -10.9 58.4 110.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.788 99.8 70.6 -90.9 -31.1 -8.4 58.8 103.3 85 85 A K H X S+ 0 0 88 -4,-2.8 4,-2.9 -7,-0.3 5,-0.2 0.897 97.7 47.8 -49.9 -60.3 -9.5 55.5 104.9 86 86 A P H > S+ 0 0 43 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.800 113.0 49.6 -51.0 -38.2 -10.5 53.6 101.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.1 -3,-0.2 3,-0.5 0.954 112.5 46.3 -68.9 -50.2 -7.2 54.6 99.9 88 88 A Y H >< S+ 0 0 35 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.932 111.4 52.6 -52.8 -51.0 -5.1 53.5 102.9 89 89 A D H 3< S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.731 108.7 51.8 -63.1 -23.5 -7.0 50.2 103.1 90 90 A S H 3< S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.649 96.1 86.6 -87.4 -20.1 -6.4 49.6 99.4 91 91 A L S << S- 0 0 4 -4,-1.1 2,-0.1 -3,-0.9 31,-0.0 -0.459 75.5-118.5 -83.6 153.8 -2.6 50.1 99.4 92 92 A D > - 0 0 57 -2,-0.1 4,-1.6 1,-0.0 3,-0.1 -0.404 44.6 -89.1 -70.6 171.3 0.2 47.6 100.2 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -2,-0.1 0.746 122.9 48.8 -62.1 -35.0 2.6 48.2 103.1 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-0.9 1,-0.2 3,-0.7 0.937 112.5 47.0 -70.1 -49.0 5.2 50.4 101.3 95 95 A R H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.703 102.2 64.0 -62.4 -31.0 2.7 52.7 99.7 96 96 A R H 3X S+ 0 0 80 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.911 100.0 54.6 -57.7 -36.5 0.8 53.2 103.0 97 97 A C H S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 -1,-0.1 0.819 132.7 46.6 -47.9 -48.3 -5.4 65.3 106.8 109 109 A T H > S+ 0 0 127 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.842 107.9 58.7 -68.8 -41.0 -7.3 68.1 105.1 110 110 A G H < S+ 0 0 30 -4,-0.6 3,-0.3 1,-0.2 -2,-0.2 0.930 114.2 36.8 -50.9 -51.5 -4.2 68.9 103.0 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-3.2 1,-0.2 -2,-0.2 0.905 105.3 64.5 -74.5 -41.8 -4.2 65.3 101.6 112 112 A A H 3< S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 95.9 67.9 -52.2 -23.8 -8.0 64.8 101.4 113 113 A G T 3< S+ 0 0 52 -4,-1.0 2,-1.6 -3,-0.3 -1,-0.3 0.636 72.6 83.7 -66.8 -26.2 -7.7 67.5 98.8 114 114 A F <> + 0 0 39 -3,-3.2 4,-3.1 1,-0.2 5,-0.3 -0.257 57.0 160.4 -83.2 52.8 -5.8 65.5 96.2 115 115 A T H > + 0 0 92 -2,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.859 69.0 41.7 -35.3 -60.9 -9.1 64.1 94.9 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.877 114.1 50.4 -63.7 -46.1 -7.8 63.0 91.6 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.942 111.3 49.5 -61.6 -43.6 -4.5 61.5 92.8 118 118 A L H X S+ 0 0 12 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.804 108.3 52.6 -63.6 -34.4 -6.3 59.5 95.5 119 119 A R H X S+ 0 0 106 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.916 111.0 48.9 -64.2 -43.3 -8.8 58.1 93.0 120 120 A M H <>S+ 0 0 25 -4,-2.1 5,-2.2 1,-0.2 -2,-0.2 0.874 109.7 50.2 -62.0 -43.6 -5.8 57.0 90.9 121 121 A L H ><5S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.877 108.3 52.7 -60.5 -46.7 -4.0 55.4 93.8 122 122 A Q H 3<5S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.3 50.3 -57.0 -32.6 -7.2 53.4 94.8 123 123 A Q T 3<5S- 0 0 92 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.376 111.5-123.7 -83.7 0.5 -7.3 52.2 91.2 124 124 A K T < 5 + 0 0 101 -3,-1.8 2,-1.2 1,-0.2 -3,-0.2 0.784 61.5 147.1 52.2 39.3 -3.7 51.1 91.3 125 125 A R >< + 0 0 125 -5,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.606 21.1 174.2 -99.0 72.1 -2.9 53.3 88.3 126 126 A W H > + 0 0 49 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.782 68.0 45.1 -59.0 -44.3 0.6 54.1 89.5 127 127 A D H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.845 113.9 51.1 -68.2 -40.8 2.1 56.1 86.6 128 128 A E H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.945 110.2 48.2 -62.5 -50.4 -1.0 58.2 86.2 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.809 107.4 56.6 -61.8 -35.1 -1.1 59.1 89.9 130 130 A A H X S+ 0 0 12 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.908 110.7 44.0 -62.4 -41.7 2.6 60.0 89.9 131 131 A V H X S+ 0 0 106 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.943 115.1 48.3 -65.0 -50.5 2.0 62.6 87.1 132 132 A N H >< S+ 0 0 51 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.896 110.0 52.7 -57.3 -47.6 -1.1 63.9 88.8 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.3 -1,-0.3 0.792 101.5 59.4 -57.1 -37.8 0.6 64.2 92.1 134 134 A A H 3< S+ 0 0 26 -4,-1.4 2,-1.7 -3,-0.3 -1,-0.3 0.696 87.6 80.9 -67.6 -15.2 3.5 66.3 90.5 135 135 A K S << S+ 0 0 178 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.438 80.6 93.3 -86.0 60.1 0.9 68.9 89.4 136 136 A S S > S- 0 0 18 -2,-1.7 4,-1.8 1,-0.1 5,-0.2 -0.980 85.2-114.8-150.1 160.3 0.8 70.6 92.8 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.876 114.6 64.1 -57.5 -42.7 2.1 73.3 95.0 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.905 106.2 41.9 -49.1 -52.2 3.6 70.6 97.2 139 139 A Y H 4 S+ 0 0 56 -6,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.891 114.8 49.8 -64.4 -38.3 5.8 69.4 94.4 140 140 A N H < S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 117.6 41.0 -73.5 -28.8 6.8 72.9 93.3 141 141 A Q H < S+ 0 0 104 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 131.9 19.9 -86.3 -39.1 7.7 73.9 96.8 142 142 A T S X S+ 0 0 24 -4,-2.6 4,-3.1 -5,-0.3 -1,-0.2 -0.553 71.4 159.8-129.5 65.7 9.5 70.8 98.0 143 143 A P H > + 0 0 49 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.897 69.9 54.6 -56.0 -44.5 10.5 68.9 94.9 144 144 A N H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.950 116.3 37.7 -59.6 -50.7 13.2 66.7 96.4 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 115.5 53.0 -63.8 -50.6 11.0 65.3 99.1 146 146 A A H X S+ 0 0 0 -4,-3.1 4,-3.6 -8,-0.2 5,-0.3 0.970 107.6 52.4 -56.5 -45.5 7.9 65.1 96.8 147 147 A K H X S+ 0 0 83 -4,-3.3 4,-3.1 1,-0.2 -1,-0.2 0.894 109.2 50.7 -52.8 -45.1 9.9 63.1 94.2 148 148 A R H X S+ 0 0 47 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.901 115.0 41.9 -60.3 -40.9 10.9 60.7 96.9 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.892 115.6 48.4 -73.1 -44.4 7.3 60.2 98.0 150 150 A I H X S+ 0 0 14 -4,-3.6 4,-2.7 2,-0.2 -2,-0.2 0.886 109.4 54.2 -62.5 -41.4 5.9 60.0 94.4 151 151 A T H X S+ 0 0 33 -4,-3.1 4,-2.9 -5,-0.3 6,-0.3 0.918 106.6 52.5 -56.6 -39.5 8.6 57.5 93.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.920 110.5 46.4 -64.5 -45.7 7.5 55.4 96.5 153 153 A F H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.6 48.8 -65.0 -35.6 3.8 55.5 95.2 154 154 A R H < S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.922 125.3 24.7 -72.6 -40.2 5.0 54.7 91.7 155 155 A T H < S- 0 0 47 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.687 83.0-138.7 -96.8 -25.9 7.2 51.7 92.6 156 156 A G S < S+ 0 0 16 -4,-3.1 2,-0.2 1,-0.3 -62,-0.2 0.658 74.2 104.1 66.5 19.0 5.9 50.4 95.9 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.763 79.8-122.7-119.4 173.4 9.7 50.0 96.8 158 158 A W S >> S+ 0 0 40 -2,-0.2 3,-1.8 1,-0.2 4,-1.0 0.092 71.6 118.6-101.1 17.2 12.1 52.0 99.1 159 159 A D H 3> + 0 0 92 1,-0.3 4,-0.9 2,-0.2 3,-0.3 0.758 67.4 61.3 -55.0 -29.6 14.6 52.8 96.3 160 160 A A H 34 S+ 0 0 15 -3,-0.3 4,-0.5 -12,-0.2 -1,-0.3 0.740 110.9 40.9 -70.3 -20.8 14.1 56.6 96.7 161 161 A Y H <4 S+ 0 0 4 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.503 98.8 73.4-102.2 -10.6 15.3 56.4 100.3 162 162 A K H < S+ 0 0 140 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.937 91.7 57.1 -70.9 -45.6 18.1 54.0 99.7 163 163 A N < 0 0 137 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.937 360.0 360.0 -46.8 -56.1 20.2 56.7 98.0 164 164 A L 0 0 123 -4,-0.5 -1,-0.3 0, 0.0 -2,-0.1 -0.102 360.0 360.0 -67.3 360.0 19.9 58.7 101.2