==== 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) 24-MAR-95 173L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR X.-P.XIONG,X.-J.ZHANG,D.SUN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 2 1 0 0 1 1 0 0 0 0 0 1 1 0 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 99 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 135.6 37.2 53.0 24.1 2 2 A N > - 0 0 66 156,-0.0 4,-2.3 1,-0.0 5,-0.2 -0.841 360.0 -90.6-141.4 178.8 34.9 50.2 22.9 3 3 A I H > S+ 0 0 18 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.827 120.5 56.6 -65.2 -31.0 34.8 47.1 21.0 4 4 A F H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.974 110.4 43.6 -61.6 -52.0 34.0 48.9 17.7 5 5 A E H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 110.6 56.9 -61.5 -36.8 37.1 51.0 18.0 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.944 111.5 42.3 -58.8 -48.4 39.1 48.0 19.1 7 7 A L H X>S+ 0 0 0 -4,-2.4 4,-3.7 2,-0.2 5,-1.8 0.886 107.0 59.2 -69.2 -34.7 38.2 46.2 15.9 8 8 A R H <5S+ 0 0 103 -4,-3.1 -1,-0.2 3,-0.2 5,-0.2 0.958 113.4 41.2 -57.8 -46.3 38.6 49.2 13.6 9 9 A I H <5S+ 0 0 55 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.950 124.0 36.6 -64.0 -50.6 42.2 49.3 14.8 10 10 A D H <5S+ 0 0 18 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.918 135.7 16.1 -73.3 -45.2 42.7 45.6 14.8 11 11 A E T <5S- 0 0 80 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.827 98.1-129.4 -98.8 -45.2 40.8 44.6 11.7 12 12 A G < - 0 0 29 -5,-1.8 2,-0.5 -4,-0.1 18,-0.2 -0.041 14.5 -99.3 106.2 152.7 40.1 47.7 9.8 13 13 A L - 0 0 41 -5,-0.2 2,-0.4 16,-0.1 16,-0.2 -0.932 25.7-167.0-115.8 130.5 37.0 49.2 8.3 14 14 A R E -A 28 0A 132 14,-2.2 14,-2.5 -2,-0.5 4,-0.1 -0.939 4.5-168.4-115.9 132.8 35.9 49.0 4.7 15 15 A L E + 0 0 59 -2,-0.4 43,-1.9 12,-0.2 2,-0.4 0.426 67.1 58.9-105.5 8.9 33.1 51.2 3.4 16 16 A E E S-C 57 0B 134 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.961 95.5 -88.9-133.9 144.3 32.4 49.7 0.1 17 17 A I E + 0 0 33 39,-1.4 2,-0.3 -2,-0.4 10,-0.2 -0.225 51.6 164.9 -55.7 133.2 31.4 46.2 -0.8 18 18 A Y E -A 26 0A 45 8,-2.3 8,-2.9 6,-0.1 2,-0.4 -0.890 36.9-108.0-140.5 166.8 34.1 43.7 -1.3 19 19 A K E -A 25 0A 129 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.864 31.3-138.0-101.5 143.8 34.3 40.0 -1.5 20 20 A D > - 0 0 50 4,-2.4 3,-2.9 -2,-0.4 -1,-0.0 -0.248 38.9 -81.6 -85.1-179.6 35.9 38.0 1.3 21 21 A T T 3 S+ 0 0 146 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.819 133.3 51.0 -51.4 -39.4 38.2 35.1 1.1 22 22 A E T 3 S- 0 0 139 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.570 124.6-105.1 -77.8 -10.3 35.3 32.8 0.6 23 23 A G S < S+ 0 0 37 -3,-2.9 2,-0.4 1,-0.3 -2,-0.2 0.561 72.8 145.1 95.0 14.1 34.0 35.1 -2.2 24 24 A Y - 0 0 58 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.737 55.7-109.7 -91.4 135.5 31.2 36.6 -0.0 25 25 A Y E +AB 19 34A 25 9,-0.7 8,-2.7 11,-0.4 9,-1.1 -0.479 50.0 169.6 -67.3 127.3 30.0 40.2 -0.3 26 26 A T E +AB 18 32A 4 -8,-2.9 -8,-2.3 -2,-0.3 2,-0.3 -0.840 16.9 178.3-140.3 158.3 31.0 42.1 2.7 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.5 -2,-0.3 -12,-0.2 -0.968 52.7 13.4-156.9 167.4 31.2 45.5 4.1 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.8 -0.447 125.5 -14.0 66.0-129.9 32.2 47.5 7.3 29 29 A I T 4 S- 0 0 3 34,-0.3 -1,-0.1 -16,-0.2 3,-0.1 -0.821 127.8 -48.8-106.6 86.5 34.2 45.3 9.8 30 30 A G T 4 S+ 0 0 44 -2,-0.8 2,-1.0 1,-0.2 -2,-0.2 0.790 84.3 163.1 56.7 33.5 33.5 41.8 8.3 31 31 A H E < -B 27 0A 22 -4,-2.5 -4,-1.5 1,-0.0 2,-0.4 -0.736 32.2-142.3 -84.5 108.6 29.8 42.3 8.1 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.546 17.9-174.0 -72.2 120.2 28.6 39.6 5.7 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 -2,-0.4 -7,-0.2 0.883 60.0 -36.0 -82.8 -41.4 25.8 40.9 3.4 34 34 A T E -B 25 0A 28 -9,-1.1 -9,-0.7 2,-0.1 -1,-0.3 -0.947 37.5-126.7-176.6 157.8 24.9 37.7 1.7 35 35 A K S S+ 0 0 130 -2,-0.3 -1,-0.1 -11,-0.1 -3,-0.0 0.433 75.1 110.2 -97.2 1.2 26.2 34.5 0.2 36 36 A S S S- 0 0 43 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.473 73.6-130.8 -74.4 144.2 24.6 35.0 -3.1 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.555 77.2 107.8 -68.5 -5.3 26.9 35.7 -6.0 38 38 A S > - 0 0 45 1,-0.2 4,-2.5 -13,-0.0 3,-0.4 -0.644 55.8-162.3 -84.9 118.9 24.7 38.7 -6.9 39 39 A L H > S+ 0 0 73 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.853 96.5 59.4 -58.3 -30.9 26.0 42.2 -6.3 40 40 A N H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 104.0 49.2 -63.3 -42.7 22.3 43.3 -6.6 41 41 A A H > S+ 0 0 27 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.944 110.9 51.2 -60.9 -47.5 21.4 41.0 -3.7 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 111.2 46.0 -58.4 -48.5 24.3 42.5 -1.7 43 43 A K H X S+ 0 0 58 -4,-2.8 4,-2.3 1,-0.2 11,-0.2 0.864 110.3 54.8 -62.6 -34.1 23.2 46.1 -2.3 44 44 A S H X S+ 0 0 57 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.922 109.1 46.8 -64.8 -49.5 19.6 45.3 -1.6 45 45 A E H X S+ 0 0 76 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.880 111.0 52.6 -60.0 -43.8 20.5 43.8 1.8 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 6,-0.2 0.946 107.3 51.1 -62.6 -43.3 22.7 46.7 2.6 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-1.6 2,-0.2 5,-0.9 0.904 110.8 49.0 -60.1 -40.5 20.0 49.2 1.8 48 48 A K H <5S+ 0 0 141 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.949 109.3 52.4 -61.5 -51.3 17.5 47.4 4.1 49 49 A A H <5S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 119.2 33.8 -58.1 -35.0 19.9 47.2 7.0 50 50 A I H <5S- 0 0 26 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.585 98.5-127.7-103.3 -8.6 20.7 50.8 7.0 51 51 A G T <5S+ 0 0 69 -4,-1.6 2,-0.3 -3,-0.3 -3,-0.2 0.772 78.3 82.0 69.8 25.9 17.3 52.3 5.9 52 52 A R S > - 0 0 58 -2,-0.3 4,-3.0 1,-0.1 3,-0.9 -0.636 35.3-110.9 -95.8 153.1 29.1 55.7 6.9 60 60 A K H 3> S+ 0 0 85 1,-0.3 4,-1.2 -2,-0.2 -1,-0.1 0.844 119.0 50.5 -47.7 -40.5 31.3 55.0 9.9 61 61 A D H 3> S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.794 107.8 49.2 -77.9 -26.9 28.2 55.0 12.0 62 62 A E H <> S+ 0 0 17 -3,-0.9 4,-2.6 2,-0.2 5,-0.3 0.858 107.5 56.3 -79.1 -28.4 26.3 52.7 10.0 63 63 A A H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -34,-0.3 0.897 108.4 49.5 -62.0 -33.4 29.3 50.5 10.0 64 64 A E H X S+ 0 0 45 -4,-1.2 4,-3.1 -5,-0.3 5,-0.2 0.908 107.7 52.8 -70.6 -42.8 29.0 50.6 13.8 65 65 A K H X S+ 0 0 100 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.935 112.2 44.6 -59.7 -46.3 25.3 49.8 13.8 66 66 A L H X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.906 112.3 53.9 -66.8 -36.4 26.0 46.8 11.7 67 67 A F H X S+ 0 0 2 -4,-2.0 4,-2.7 -5,-0.3 3,-0.4 0.942 101.5 56.5 -64.9 -44.5 28.9 45.9 13.9 68 68 A N H X S+ 0 0 67 -4,-3.1 4,-2.0 1,-0.3 -1,-0.2 0.862 105.6 52.5 -57.2 -32.2 26.9 46.0 17.0 69 69 A Q H X S+ 0 0 82 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.3 0.894 108.7 50.6 -67.3 -37.4 24.5 43.4 15.6 70 70 A D H X S+ 0 0 37 -4,-1.4 4,-2.3 -3,-0.4 -2,-0.2 0.854 107.0 54.1 -66.8 -37.9 27.5 41.2 14.7 71 71 A V H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.939 108.0 50.1 -61.7 -46.8 28.8 41.5 18.3 72 72 A D H X S+ 0 0 101 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.907 110.9 49.1 -57.4 -40.9 25.4 40.4 19.6 73 73 A A H X S+ 0 0 44 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.884 109.1 52.6 -66.9 -37.3 25.4 37.4 17.2 74 74 A A H X S+ 0 0 17 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.934 110.8 46.6 -64.0 -43.1 29.0 36.5 18.3 75 75 A V H X S+ 0 0 26 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.923 108.8 57.1 -65.4 -39.5 28.0 36.5 22.0 76 76 A R H < S+ 0 0 132 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.952 110.3 43.0 -56.1 -44.3 24.9 34.5 21.2 77 77 A G H >X S+ 0 0 16 -4,-1.9 3,-1.6 1,-0.2 4,-0.5 0.940 110.8 54.3 -69.2 -45.0 27.1 31.9 19.7 78 78 A I H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.3 7,-0.4 0.909 104.7 55.3 -55.3 -39.3 29.6 32.0 22.5 79 79 A L T 3< S+ 0 0 71 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.627 107.8 50.3 -69.0 -15.5 26.9 31.4 25.1 80 80 A R T <4 S+ 0 0 198 -3,-1.6 2,-0.7 -4,-0.5 -1,-0.3 0.368 90.1 92.2 -98.8 -4.9 25.9 28.3 23.2 81 81 A N S+ 0 0 0 -3,-0.3 4,-2.6 -6,-0.2 5,-0.3 0.797 99.4 72.5 -92.0 -30.9 33.4 29.0 25.7 85 85 A K H X S+ 0 0 84 -4,-3.1 4,-3.2 -7,-0.4 5,-0.3 0.917 95.8 50.7 -49.9 -51.3 30.5 29.9 27.8 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.924 111.9 47.8 -59.3 -39.3 32.1 29.3 31.1 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-1.4 -3,-0.2 -2,-0.2 0.959 112.8 48.1 -65.4 -49.8 35.1 31.3 30.3 88 88 A Y H >< S+ 0 0 26 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.946 109.1 53.5 -58.4 -45.1 33.0 34.2 29.0 89 89 A D H 3< S+ 0 0 76 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.901 108.7 50.7 -58.4 -36.8 30.8 34.1 32.0 90 90 A S H 3< S+ 0 0 35 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.759 94.8 91.2 -75.0 -21.2 33.8 34.4 34.3 91 91 A L S << S- 0 0 5 -4,-1.4 2,-0.1 -3,-0.6 31,-0.0 -0.420 73.0-121.2 -79.9 153.8 35.4 37.4 32.6 92 92 A D > - 0 0 56 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.312 42.0 -90.8 -78.9 169.7 35.0 41.0 33.3 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.853 121.4 45.3 -53.6 -50.8 33.8 43.4 30.6 94 94 A V H > S+ 0 0 28 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.935 113.7 48.8 -66.4 -44.6 37.0 44.4 29.1 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.848 105.9 60.5 -65.3 -29.6 38.4 41.0 28.9 96 96 A R H X S+ 0 0 78 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.874 101.2 53.2 -60.6 -40.5 35.1 39.9 27.4 97 97 A C H X S+ 0 0 24 -4,-1.5 4,-2.6 -3,-0.4 -1,-0.2 0.899 106.1 52.7 -61.1 -41.3 35.8 42.3 24.5 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.877 107.9 51.8 -62.6 -35.9 39.2 40.7 23.9 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.909 109.6 48.0 -66.9 -41.2 37.6 37.3 23.7 100 100 A I H X S+ 0 0 6 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.904 106.6 58.3 -68.3 -35.5 35.1 38.5 21.2 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.964 106.9 47.6 -55.8 -47.8 37.9 40.1 19.2 102 102 A M H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.898 109.9 52.6 -60.8 -41.4 39.6 36.7 19.0 103 103 A V H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.921 107.6 51.7 -62.7 -40.6 36.3 35.0 17.9 104 104 A F H < S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.1 43.8 -59.6 -41.6 35.8 37.6 15.1 105 105 A Q H < S+ 0 0 50 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.896 135.4 8.4 -73.4 -43.9 39.3 36.8 13.9 106 106 A M H X S- 0 0 52 -4,-2.8 4,-0.9 -5,-0.2 -3,-0.2 0.350 98.7-121.7-125.3 7.4 39.3 33.0 14.1 107 107 A G H X - 0 0 31 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.195 40.3 -66.5 69.5 165.6 35.9 31.9 14.9 108 108 A E H > S+ 0 0 65 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.900 132.3 51.0 -54.6 -48.4 34.5 29.9 17.8 109 109 A T H > S+ 0 0 122 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.892 107.9 52.1 -63.8 -37.3 36.3 26.8 16.9 110 110 A G H >< S+ 0 0 27 -4,-0.9 3,-0.7 1,-0.2 -2,-0.2 0.950 114.4 42.5 -64.6 -44.5 39.6 28.5 16.5 111 111 A V H >< S+ 0 0 1 -4,-2.5 3,-2.5 1,-0.2 -2,-0.2 0.934 105.9 60.8 -65.5 -48.0 39.3 30.1 19.9 112 112 A A H 3< S+ 0 0 11 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.697 93.2 71.3 -55.6 -15.3 38.0 26.9 21.7 113 113 A G T << S+ 0 0 56 -3,-0.7 2,-1.0 -4,-0.7 -1,-0.3 0.505 73.9 82.3 -81.0 -4.1 41.2 25.3 20.6 114 114 A F <> + 0 0 36 -3,-2.5 4,-2.6 1,-0.2 5,-0.3 -0.430 58.8 163.9 -95.5 55.6 43.3 27.3 23.1 115 115 A T H > + 0 0 68 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.870 67.1 42.6 -43.0 -56.5 42.4 24.9 25.9 116 116 A N H > S+ 0 0 99 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.937 114.1 52.2 -60.6 -48.3 45.1 25.8 28.4 117 117 A S H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 109.7 47.9 -54.2 -48.3 44.7 29.4 27.9 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.880 108.5 55.0 -62.0 -39.3 41.1 29.3 28.4 119 119 A E H X S+ 0 0 102 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.944 110.8 46.4 -61.3 -38.6 41.5 27.3 31.5 120 120 A M H <>S+ 0 0 30 -4,-2.5 5,-2.6 1,-0.2 4,-0.3 0.907 107.6 55.0 -67.7 -43.8 43.8 29.9 32.9 121 121 A L H ><5S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.930 106.8 53.1 -56.1 -42.0 41.6 32.7 31.9 122 122 A Q H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.1 47.3 -62.4 -33.7 38.9 31.0 33.9 123 123 A Q T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.337 114.0-116.6 -86.7 5.2 41.0 30.8 37.0 124 124 A K T < 5 + 0 0 111 -3,-1.8 2,-1.9 -4,-0.3 3,-0.2 0.747 66.0 147.1 63.0 26.8 42.0 34.5 36.6 125 125 A R >< + 0 0 94 -5,-2.6 4,-2.4 1,-0.2 3,-0.3 -0.508 18.0 168.1 -90.6 72.6 45.6 33.4 36.1 126 126 A W H > + 0 0 46 -2,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.815 65.4 49.8 -56.0 -45.5 46.2 36.3 33.8 127 127 A D H > S+ 0 0 95 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.872 112.1 47.8 -66.5 -36.9 49.9 36.2 33.5 128 128 A E H > S+ 0 0 84 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.903 109.9 52.9 -73.3 -34.2 50.0 32.5 32.7 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.928 108.5 50.4 -64.2 -44.5 47.3 32.9 30.1 130 130 A A H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.892 109.4 51.8 -59.0 -41.9 49.2 35.7 28.3 131 131 A V H X S+ 0 0 74 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.966 112.0 44.2 -62.2 -51.7 52.3 33.6 28.3 132 132 A N H >< S+ 0 0 46 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.907 112.2 53.5 -59.0 -43.4 50.5 30.6 26.7 133 133 A L H >< S+ 0 0 2 -4,-2.8 3,-1.2 1,-0.2 6,-0.4 0.861 103.2 57.8 -59.8 -38.3 48.7 32.9 24.2 134 134 A A H 3< S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.741 100.8 57.0 -67.6 -19.8 52.0 34.4 23.1 135 135 A E T << S+ 0 0 149 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.280 87.2 103.8 -94.1 10.7 53.5 31.1 22.1 136 136 A S S <> S- 0 0 20 -3,-1.2 4,-1.3 1,-0.1 3,-0.2 -0.482 82.9-113.6 -88.2 171.7 50.7 30.2 19.7 137 137 A R H > S+ 0 0 221 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.745 114.8 65.9 -72.3 -25.6 50.7 30.2 15.9 138 138 A W H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 99.0 50.4 -58.6 -48.6 48.2 33.0 16.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -2,-0.2 -3,-0.2 -1,-0.2 0.925 110.8 49.8 -59.9 -41.8 50.7 35.3 17.7 140 140 A N H < S+ 0 0 114 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 110.8 49.5 -66.2 -35.0 53.2 34.6 15.0 141 141 A Q H < S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.868 130.0 14.3 -73.1 -38.7 50.7 35.2 12.2 142 142 A T S X S+ 0 0 35 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.3 -0.604 72.3 168.5-135.8 75.3 49.4 38.5 13.4 143 143 A P H > S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.764 72.9 51.1 -62.4 -33.0 51.8 39.8 16.1 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.947 116.4 40.1 -70.6 -49.6 50.6 43.4 16.4 145 145 A R H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 116.9 49.6 -62.2 -49.5 47.0 42.5 16.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.921 107.2 54.5 -59.3 -45.0 47.8 39.5 19.1 147 147 A E H X S+ 0 0 98 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.939 110.2 47.4 -56.6 -43.2 50.1 41.5 21.3 148 148 A R H X S+ 0 0 63 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.923 112.9 47.0 -64.6 -46.2 47.3 44.1 21.9 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.940 113.1 49.3 -63.0 -44.6 44.7 41.5 22.7 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.4 1,-0.3 -2,-0.2 0.912 108.6 52.3 -61.3 -43.6 47.0 39.6 25.0 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.5 -5,-0.3 5,-0.4 0.845 106.6 55.3 -59.0 -37.0 47.9 42.8 26.8 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.875 109.0 46.7 -64.4 -36.7 44.2 43.3 27.2 153 153 A F H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.858 112.9 50.3 -70.6 -35.6 43.9 39.9 28.9 154 154 A R H < S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.941 125.2 21.8 -69.2 -48.6 46.8 40.5 31.1 155 155 A T H < S- 0 0 64 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.679 85.6-137.1 -94.1 -26.8 45.8 43.9 32.4 156 156 A G < + 0 0 16 -4,-2.1 2,-0.3 -5,-0.4 -62,-0.2 0.756 70.0 106.2 73.2 18.1 42.1 44.0 31.9 157 157 A T S S- 0 0 50 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.821 79.6-118.8-122.4 174.4 42.4 47.6 30.7 158 158 A W S > S+ 0 0 49 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.203 75.7 117.7 -92.8 15.1 42.2 49.3 27.3 159 159 A D G > + 0 0 96 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.814 62.7 60.3 -55.7 -37.0 45.6 50.6 27.6 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.711 107.0 48.2 -65.5 -16.9 47.0 48.8 24.6 161 161 A Y G < 0 0 12 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.374 360.0 360.0-101.2 -1.4 44.6 50.6 22.4 162 162 A K < 0 0 196 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.806 360.0 360.0 -25.9 360.0 45.4 53.9 23.9