==== 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) 29-SEP-92 102L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.W.HEINZ,B.W.MATTHEWS . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.0 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 . 8 4.9 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 . 85 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 1 2 1 0 0 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 73 0, 0.0 2,-0.3 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 150.2 43.6 -1.9 8.9 2 2 A N > - 0 0 67 157,-0.0 4,-2.8 96,-0.0 3,-0.2 -0.917 360.0 -83.3-148.0 175.1 40.4 -0.9 10.7 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.813 124.0 50.2 -51.9 -43.0 38.3 2.2 11.2 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 113.9 44.0 -66.2 -45.3 40.3 3.6 14.0 5 5 A E H > S+ 0 0 104 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.879 113.7 52.1 -66.3 -37.9 43.6 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.2 0.946 113.0 42.4 -63.4 -51.4 42.0 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.825 108.4 60.2 -67.3 -27.9 40.6 7.8 10.8 8 8 A R H X S+ 0 0 103 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.900 107.5 46.3 -67.3 -32.5 43.9 8.2 12.7 9 9 A I H < S+ 0 0 85 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.899 115.2 46.8 -71.9 -42.4 45.7 8.6 9.4 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 125.5 26.4 -70.9 -36.0 43.0 11.0 8.0 11 11 A E H < S- 0 0 43 -4,-2.4 19,-0.3 -5,-0.1 -1,-0.2 0.694 90.9-154.3-100.9 -26.6 42.8 13.3 11.0 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.132 28.2 -82.2 73.4-170.9 46.2 13.0 12.7 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 42.6 176.5-135.0 122.9 46.7 13.6 16.5 14 14 A R E -A 28 0A 137 14,-2.1 14,-2.2 -2,-0.4 4,-0.1 -0.995 15.9-167.3-129.0 127.8 47.1 17.1 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 44,-2.3 12,-0.2 2,-0.3 0.405 73.2 62.3 -91.7 -1.2 47.4 17.6 21.8 16 16 A K E S-C 58 0B 96 42,-0.2 42,-0.2 12,-0.1 12,-0.2 -0.887 101.7 -87.1-122.3 151.5 46.9 21.4 21.7 17 17 A I E + 0 0 18 40,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.390 59.4 172.4 -56.8 137.0 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-3.1 8,-3.1 -4,-0.1 2,-0.5 -0.889 34.0-106.6-140.3 170.3 44.2 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.875 32.8-135.4-102.4 135.4 42.2 25.0 13.8 20 20 A D > - 0 0 48 4,-3.7 3,-2.6 -2,-0.5 -1,-0.1 -0.059 40.4 -82.5 -75.8-177.3 40.8 22.5 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.647 135.8 49.2 -57.4 -19.2 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.223 125.2-104.6-102.6 3.1 37.8 25.0 7.8 23 23 A G S < S+ 0 0 36 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.569 73.6 141.2 81.1 18.1 39.4 27.2 10.6 24 24 A Y - 0 0 74 1,-0.1 -4,-3.7 9,-0.0 2,-0.4 -0.679 59.7-101.1 -95.3 153.3 37.5 25.6 13.5 25 25 A Y E +AB 19 34A 29 9,-1.0 8,-3.2 11,-0.3 9,-1.5 -0.520 54.1 158.1 -73.8 123.4 38.8 24.8 16.8 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-3.1 -2,-0.4 2,-0.3 -0.850 18.8-168.4-137.4 166.8 39.6 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.952 51.8 2.4-153.9 165.4 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-2.1 -2,-0.3 2,-0.8 -0.310 122.4 -5.7 63.1-124.4 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 2 35,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.638 127.2 -52.5-106.8 71.7 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.749 83.9 158.7 72.7 25.5 39.6 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.4 1,-0.0 -1,-0.2 -0.668 33.9-143.0 -84.6 105.8 37.4 16.2 17.7 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.374 20.3-178.7 -67.3 132.3 35.6 19.5 16.7 33 33 A L E - 0 0 14 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.894 58.0 -24.5 -95.3 -49.5 35.2 21.8 19.7 34 34 A T E -B 25 0A 25 -9,-1.5 -9,-1.0 2,-0.1 -1,-0.4 -0.982 33.6-140.4-162.3 153.8 33.3 24.7 18.4 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.2 8,-0.0 0.571 74.3 110.4 -91.6 -12.6 32.6 26.6 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.3 2,-0.1 -2,-0.1 -0.243 72.2-131.7 -65.2 144.2 32.8 29.9 17.2 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.547 77.6 102.8 -77.0 -6.2 35.7 32.2 16.7 38 38 A S > + 0 0 55 1,-0.2 5,-2.2 2,-0.1 6,-0.1 -0.687 39.4 169.1 -86.4 115.9 36.4 32.6 20.4 39 39 A L T > + 0 0 54 -2,-0.7 5,-2.3 3,-0.2 6,-0.3 0.951 69.9 52.9 -79.4 -63.6 39.4 30.6 21.5 40 40 A N T 5S+ 0 0 109 3,-0.2 -1,-0.1 4,-0.1 -2,-0.1 0.568 129.8 10.1 -58.8 -14.5 40.1 31.7 25.0 41 40AA A T >5S+ 0 0 56 3,-0.1 4,-4.0 4,-0.0 5,-0.3 0.501 129.8 41.5-123.4 -78.1 36.7 31.2 26.3 42 41 A A H >5S+ 0 0 28 1,-0.3 4,-2.5 2,-0.2 -3,-0.2 0.831 122.5 35.5 -43.3 -60.5 34.5 29.3 23.9 43 42 A A H >S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 5,-1.1 0.859 112.5 49.9 -64.9 -35.0 37.2 21.6 29.6 49 48 A K H <5S+ 0 0 142 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.840 110.8 50.1 -69.3 -36.6 33.6 20.5 29.6 50 49 A A H <5S+ 0 0 44 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.908 120.7 34.7 -68.8 -37.5 34.5 17.6 27.2 51 50 A I H <5S- 0 0 34 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.744 102.1-125.7 -88.9 -30.0 37.4 16.4 29.3 52 51 A G T <5S+ 0 0 67 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.765 75.8 73.2 88.8 23.2 36.1 17.1 32.7 53 52 A R S - 0 0 10 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.764 33.9-142.8 -90.2 -33.8 42.8 21.9 30.7 56 55 A N T 3 S- 0 0 120 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.914 73.1 -63.8 64.4 37.4 44.3 25.1 29.5 57 56 A G T 3 S+ 0 0 0 -13,-0.2 -40,-1.5 1,-0.1 2,-0.4 0.522 115.6 101.6 64.8 10.6 43.8 24.0 25.9 58 57 A V B < -C 16 0B 66 -3,-0.9 2,-0.3 -42,-0.2 -42,-0.2 -0.968 45.9-179.5-127.6 135.0 46.1 21.0 26.2 59 58 A I - 0 0 3 -44,-2.3 2,-0.2 -2,-0.4 -31,-0.1 -0.774 25.6-111.0-125.9 168.4 45.2 17.3 26.6 60 59 A T > - 0 0 70 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.486 33.4-105.3 -94.0 168.6 47.1 14.0 27.0 61 60 A K H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 122.4 52.1 -61.0 -44.0 47.2 11.2 24.5 62 61 A D H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 109.1 51.5 -58.6 -41.4 44.9 9.1 26.6 63 62 A E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 109.2 50.1 -61.5 -44.8 42.4 12.0 26.7 64 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -35,-0.4 0.862 112.1 47.7 -60.2 -41.7 42.6 12.3 22.9 65 64 A E H X S+ 0 0 77 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.819 107.6 55.2 -71.5 -32.9 41.9 8.6 22.5 66 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.967 110.4 45.4 -66.5 -45.6 39.1 8.7 24.9 67 66 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 112.3 53.4 -60.0 -41.1 37.4 11.5 22.8 68 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.943 106.8 50.5 -62.2 -48.1 38.2 9.5 19.6 69 68 A N H X S+ 0 0 88 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.905 112.2 47.9 -55.8 -43.8 36.5 6.3 21.0 70 69 A Q H X S+ 0 0 94 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.913 111.7 49.5 -62.7 -42.9 33.4 8.3 21.8 71 70 A D H X S+ 0 0 34 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.852 110.9 48.3 -69.4 -32.7 33.3 10.0 18.5 72 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 112.9 49.5 -71.7 -42.1 33.6 6.7 16.5 73 72 A D H X S+ 0 0 86 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.927 111.1 49.2 -59.6 -45.8 30.9 5.2 18.6 74 73 A A H X S+ 0 0 44 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.881 109.4 52.5 -60.5 -39.2 28.7 8.1 18.1 75 74 A A H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.970 111.3 45.4 -63.7 -54.5 29.3 8.0 14.3 76 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.918 115.2 46.9 -54.5 -48.3 28.3 4.3 14.1 77 76 A R H X S+ 0 0 120 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.886 110.1 54.0 -66.2 -32.9 25.3 4.8 16.2 78 77 A G H >X S+ 0 0 1 -4,-2.4 4,-0.8 -5,-0.2 3,-0.6 0.926 107.0 50.5 -65.5 -43.5 24.2 7.8 14.3 79 78 A I H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 7,-0.4 0.907 110.2 51.4 -57.4 -44.0 24.4 5.9 11.0 80 79 A L H 3< S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.675 111.7 45.6 -71.3 -18.8 22.2 3.2 12.6 81 80 A R H << S+ 0 0 176 -4,-1.1 2,-0.5 -3,-0.6 -1,-0.2 0.437 92.3 97.8 -97.0 -13.7 19.6 5.6 13.7 82 81 A N S+ 0 0 126 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.794 119.5 40.5 -83.9 -34.8 18.7 7.4 5.2 85 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.3 -6,-0.1 3,-0.4 0.865 100.9 67.7 -85.1 -36.9 22.1 6.0 6.3 86 85 A K H X S+ 0 0 81 -4,-2.8 4,-2.8 -7,-0.4 5,-0.2 0.870 98.0 50.0 -51.3 -49.3 21.1 2.7 7.8 87 86 A P H > S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.872 111.5 49.6 -64.0 -34.8 20.0 0.9 4.7 88 87 A V H X S+ 0 0 3 -4,-0.5 4,-0.8 -3,-0.4 3,-0.2 0.949 111.7 48.4 -66.8 -47.6 23.2 1.9 2.9 89 88 A Y H >< S+ 0 0 35 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.942 110.4 52.0 -56.0 -48.4 25.4 0.7 5.7 90 89 A D H 3< S+ 0 0 79 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.5 54.0 -61.9 -31.8 23.5 -2.6 5.9 91 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.677 97.4 85.3 -76.4 -16.1 24.0 -3.2 2.3 92 91 A L S << S- 0 0 8 -3,-1.3 31,-0.0 -4,-0.8 30,-0.0 -0.535 75.0-113.4 -91.2 164.3 27.7 -2.8 2.3 93 92 A D > - 0 0 54 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.189 45.1 -92.5 -77.5 172.1 30.8 -5.0 3.0 94 93 A A H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.862 121.7 48.7 -58.6 -39.5 33.1 -4.4 6.0 95 94 A V H > S+ 0 0 23 62,-0.2 4,-1.5 1,-0.2 3,-0.3 0.960 112.6 45.6 -68.0 -49.7 35.6 -2.2 4.1 96 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 105.6 61.5 -63.2 -31.7 33.1 0.1 2.6 97 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.922 103.0 53.3 -59.1 -40.1 31.2 0.4 5.9 98 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.891 104.4 53.5 -59.7 -41.6 34.4 1.9 7.2 99 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.888 109.7 49.0 -64.0 -33.7 34.4 4.4 4.4 100 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.894 108.2 52.6 -72.4 -36.8 30.9 5.5 5.3 101 100 A I H X S+ 0 0 9 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.917 108.1 53.6 -63.3 -37.8 31.8 5.8 8.9 102 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.959 107.9 47.2 -61.6 -50.1 34.7 8.0 7.9 103 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.898 113.3 50.8 -57.1 -42.3 32.6 10.4 5.9 104 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.902 108.3 51.5 -62.2 -39.9 30.1 10.5 8.8 105 104 A F H < S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.924 117.1 39.3 -63.7 -42.0 32.9 11.3 11.3 106 105 A Q H < S+ 0 0 58 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 131.6 20.0 -72.3 -46.0 34.1 14.2 9.2 107 106 A M H X S- 0 0 54 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.498 102.4-110.9-109.9 -8.9 30.9 15.7 8.0 108 107 A G H X - 0 0 30 -4,-2.1 4,-2.7 -5,-0.4 5,-0.3 0.102 31.1 -85.7 89.9 147.2 28.1 14.7 10.2 109 108 A E H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.885 128.0 51.7 -59.6 -39.6 25.2 12.5 9.6 110 109 A T H > S+ 0 0 124 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.924 109.2 50.5 -66.7 -40.6 23.2 15.2 8.2 111 110 A G H >< S+ 0 0 31 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.938 113.5 43.8 -62.6 -48.6 25.9 16.1 5.7 112 111 A V H >< S+ 0 0 1 -4,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.889 103.9 64.3 -64.4 -39.4 26.4 12.6 4.5 113 112 A A H 3< S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 94.0 65.2 -54.6 -23.1 22.6 12.0 4.3 114 113 A G T << S+ 0 0 56 -3,-1.0 2,-1.6 -4,-0.8 3,-0.3 0.515 74.3 86.0 -79.9 -7.3 22.6 14.7 1.6 115 114 A F <> + 0 0 39 -3,-2.3 4,-2.8 1,-0.2 5,-0.3 -0.344 56.7 157.7 -89.0 55.7 24.6 12.8 -0.9 116 115 A T H > + 0 0 85 -2,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.894 65.9 45.7 -46.5 -52.8 21.4 11.3 -2.0 117 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.915 113.1 47.8 -64.4 -44.0 22.6 10.3 -5.4 118 117 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.911 109.9 55.3 -62.2 -43.8 25.8 8.8 -4.3 119 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.857 106.9 49.3 -55.0 -42.7 24.0 6.9 -1.5 120 119 A R H X S+ 0 0 121 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.899 111.1 49.7 -69.0 -35.6 21.7 5.3 -4.0 121 120 A M H <>S+ 0 0 24 -4,-1.9 5,-2.4 2,-0.2 4,-0.4 0.855 109.5 51.3 -71.2 -32.6 24.5 4.3 -6.2 122 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.941 108.6 51.4 -68.2 -40.8 26.4 2.7 -3.3 123 122 A Q H 3<5S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.907 110.1 49.3 -60.7 -37.7 23.4 0.8 -2.3 124 123 A Q T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.461 112.9-120.2 -79.8 -2.9 23.1 -0.5 -5.9 125 124 A K T < 5 + 0 0 98 -3,-1.5 2,-1.3 -4,-0.4 -3,-0.2 0.803 61.8 148.5 67.4 33.2 26.8 -1.5 -5.9 126 125 A R >< + 0 0 110 -5,-2.4 4,-2.3 1,-0.2 5,-0.2 -0.697 19.6 173.9 -98.1 78.3 27.6 0.8 -8.8 127 126 A W H > + 0 0 49 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.881 68.6 44.7 -56.8 -53.2 31.1 1.4 -7.6 128 127 A D H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 115.5 49.4 -64.8 -35.2 32.6 3.4 -10.4 129 128 A E H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.911 108.1 51.4 -73.6 -38.1 29.6 5.6 -10.7 130 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.893 108.3 54.3 -62.6 -37.5 29.3 6.4 -7.1 131 130 A A H X S+ 0 0 11 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.883 107.7 48.8 -63.5 -38.7 33.0 7.4 -7.1 132 131 A V H X S+ 0 0 87 -4,-1.6 4,-0.5 1,-0.2 3,-0.2 0.950 114.2 46.0 -65.7 -47.1 32.4 9.8 -9.9 133 132 A N H >< S+ 0 0 37 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.865 106.9 57.0 -62.8 -42.4 29.4 11.3 -8.1 134 133 A L H 3< S+ 0 0 1 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.896 100.5 60.4 -59.7 -33.6 31.1 11.6 -4.8 135 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.7 -3,-0.2 -1,-0.2 0.688 86.4 77.8 -68.2 -19.6 33.9 13.7 -6.4 136 135 A K S << S+ 0 0 156 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.527 80.1 95.2 -90.8 70.2 31.4 16.4 -7.5 137 136 A S S > S- 0 0 18 -2,-1.7 4,-1.8 1,-0.1 5,-0.2 -0.989 85.5-115.5-152.4 159.4 31.1 18.0 -4.1 138 137 A R H > S+ 0 0 149 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.886 114.3 65.7 -62.6 -38.5 32.6 20.7 -2.1 139 138 A W H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.933 104.6 41.8 -48.4 -53.1 33.9 17.9 0.2 140 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.9 51.7 -66.7 -38.4 36.2 16.6 -2.5 141 140 A N H < S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 114.9 41.0 -68.0 -34.3 37.2 20.2 -3.6 142 141 A Q H < S+ 0 0 101 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 132.4 19.8 -82.2 -39.0 38.2 21.3 -0.1 143 142 A T S X S+ 0 0 20 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 -0.551 74.1 160.9-131.6 66.4 40.0 18.1 1.1 144 143 A P H > + 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.817 68.8 52.7 -58.5 -40.9 40.8 16.3 -2.1 145 144 A N H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.945 116.8 38.9 -64.6 -47.2 43.6 14.0 -0.8 146 145 A R H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.929 115.5 53.0 -65.6 -49.5 41.4 12.6 2.0 147 146 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.953 107.8 51.8 -53.5 -47.1 38.4 12.6 -0.2 148 147 A K H X S+ 0 0 95 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.867 108.4 52.0 -57.2 -38.3 40.3 10.5 -2.8 149 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.942 112.4 43.5 -62.7 -48.8 41.3 8.0 -0.2 150 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.912 114.8 51.1 -62.9 -41.0 37.7 7.5 1.0 151 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.846 107.9 51.1 -63.3 -39.5 36.5 7.4 -2.6 152 151 A T H X S+ 0 0 38 -4,-2.3 4,-3.0 2,-0.2 6,-0.4 0.850 107.6 55.0 -66.3 -36.8 39.1 4.7 -3.6 153 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.902 111.3 42.9 -60.4 -45.3 37.9 2.7 -0.6 154 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.900 116.3 50.0 -67.5 -41.3 34.3 2.8 -1.9 155 154 A R H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.952 126.1 22.0 -62.9 -51.5 35.5 2.1 -5.4 156 155 A T H < S- 0 0 42 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.664 85.2-137.3 -90.7 -29.2 37.7 -0.9 -4.6 157 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.721 73.3 103.5 70.5 20.6 36.4 -2.2 -1.3 158 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.846 81.0-120.2-125.7 172.7 40.0 -2.6 -0.3 159 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.208 72.0 121.2 -96.8 15.7 42.3 -0.6 2.0 160 159 A D G >4 + 0 0 96 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.818 64.8 61.0 -47.4 -41.0 44.8 0.2 -0.8 161 160 A A G 34 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.722 109.7 44.2 -62.0 -20.3 44.5 4.0 -0.5 162 161 A Y G <4 0 0 20 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.462 360.0 360.0-104.5 -4.6 45.7 3.7 3.0 163 162 A K << 0 0 173 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.837 360.0 360.0 -99.7 360.0 48.6 1.3 2.6