==== 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) 28-MAY-93 129L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR P.PJURA,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 7.4 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 0 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, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.2 43.5 -1.9 9.0 2 2 A N > - 0 0 70 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.930 360.0 -86.1-149.7 175.9 40.4 -0.8 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.825 122.8 51.4 -56.0 -39.1 38.3 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 112.6 45.0 -68.2 -42.8 40.3 3.6 14.1 5 5 A E H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 113.0 51.7 -64.8 -40.8 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.943 112.4 43.8 -61.7 -51.3 42.0 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.863 108.2 59.9 -65.3 -31.5 40.6 7.8 10.9 8 8 A R H X S+ 0 0 94 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.922 107.4 45.7 -63.6 -34.1 43.8 8.2 12.8 9 9 A I H < S+ 0 0 89 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.926 115.9 47.1 -73.1 -40.3 45.7 8.5 9.5 10 10 A D H < S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.853 123.9 28.1 -69.8 -38.7 43.1 11.0 8.2 11 11 A E H < S- 0 0 50 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.696 90.0-155.9 -94.1 -25.2 42.8 13.3 11.2 12 12 A G < - 0 0 24 -4,-1.8 2,-0.3 -5,-0.4 -1,-0.2 -0.247 26.6 -85.5 70.0-161.0 46.3 13.0 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.926 42.0 172.9-148.7 122.3 46.7 13.8 16.5 14 14 A R E -A 28 0A 151 14,-1.7 14,-2.3 -2,-0.3 4,-0.1 -0.978 18.7-161.1-130.4 136.2 47.3 17.1 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.526 73.7 63.5 -96.3 -6.9 47.4 17.7 21.9 16 16 A K E S-C 57 0B 135 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.832 101.2 -86.8-113.8 156.5 46.8 21.4 21.8 17 17 A I E + 0 0 28 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.339 59.4 172.0 -57.5 137.1 43.8 23.2 20.6 18 18 A Y E -A 26 0A 26 8,-2.9 8,-2.9 -4,-0.1 2,-0.5 -0.922 35.2-103.6-141.9 165.6 44.2 23.8 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.835 34.4-140.6 -94.1 133.6 42.2 25.0 13.8 20 20 A D > - 0 0 50 4,-2.9 3,-1.9 -2,-0.5 -1,-0.0 -0.081 42.1 -77.4 -73.1-171.3 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.688 135.7 46.9 -63.1 -23.1 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.349 123.6-104.8 -99.3 -4.1 37.7 25.1 7.9 23 23 A G S < S+ 0 0 35 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.618 73.4 141.4 84.3 23.4 39.3 27.1 10.6 24 24 A Y - 0 0 70 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.785 60.2-100.3 -96.7 145.6 37.3 25.7 13.5 25 25 A Y E +AB 19 34A 31 9,-0.8 8,-3.0 11,-0.4 9,-1.4 -0.367 54.0 163.2 -64.8 128.2 38.8 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.9 6,-0.3 2,-0.3 -0.901 18.4-166.5-139.2 160.5 39.6 21.2 17.2 27 27 A I E > - B 0 31A 0 4,-1.9 4,-2.1 -2,-0.3 2,-0.2 -0.989 52.6 -0.2-146.8 164.0 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.9 -0.416 122.4 -5.6 70.0-127.1 43.0 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.688 128.3 -52.3-107.3 74.0 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.792 84.6 159.3 67.7 33.4 39.7 15.5 14.8 31 31 A H E < -B 27 0A 34 -4,-2.1 -4,-1.9 -20,-0.1 -1,-0.2 -0.713 33.2-143.4 -89.4 106.7 37.5 16.3 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.416 19.3-177.4 -68.7 132.7 35.7 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.896 58.5 -27.8 -96.2 -43.1 35.2 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.926 33.2-138.3-170.4 153.0 33.3 24.6 18.4 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.513 73.6 108.7 -93.2 -11.1 32.6 26.6 15.3 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.401 73.4-131.5 -68.2 142.4 32.7 29.9 17.2 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.402 75.8 105.9 -83.5 11.1 35.7 32.0 16.5 38 38 A S > - 0 0 51 1,-0.1 4,-1.5 -13,-0.0 -2,-0.1 -0.816 57.2-157.6 -95.4 127.6 36.3 32.5 20.2 39 39 A L H > S+ 0 0 76 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.805 97.3 55.4 -66.2 -32.4 39.3 30.6 21.8 40 40 A N H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.944 102.1 53.1 -68.9 -44.2 37.7 31.0 25.1 41 41 A A H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.916 112.2 49.5 -57.9 -33.4 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.890 107.4 50.9 -70.2 -41.0 36.8 26.6 22.8 43 43 A K H X S+ 0 0 56 -4,-2.6 4,-2.4 2,-0.2 11,-0.3 0.882 111.0 50.4 -64.2 -35.0 38.7 26.2 26.0 44 44 A S H X S+ 0 0 73 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.910 110.0 47.7 -72.0 -39.0 35.4 26.0 27.8 45 45 A E H X S+ 0 0 67 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.913 111.5 55.0 -64.8 -38.8 34.0 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.954 109.3 42.6 -59.1 -53.1 37.3 21.6 26.0 47 47 A D H X>S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.2 5,-0.7 0.883 112.9 55.0 -65.4 -33.1 37.2 21.5 29.8 48 48 A K H <5S+ 0 0 139 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.917 110.7 45.7 -61.5 -41.0 33.5 20.6 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 122.2 35.4 -68.8 -37.9 34.4 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.699 101.9-128.6 -89.2 -27.2 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.779 74.8 77.2 81.6 27.7 36.0 17.2 32.8 52 52 A R S - 0 0 11 -2,-0.9 3,-1.0 -11,-0.3 -1,-0.2 0.758 32.6-143.3 -92.0 -27.8 42.8 21.8 30.8 55 55 A N T 3 S- 0 0 132 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.731 73.7 -59.6 64.5 29.0 44.1 25.1 29.8 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.2 2,-0.3 0.613 118.3 98.1 80.4 13.0 43.8 24.0 26.1 57 57 A V B < +C 16 0B 52 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.989 45.0 178.3-129.6 138.7 46.2 20.9 26.4 58 58 A I - 0 0 5 -43,-1.9 2,-0.2 -2,-0.3 -30,-0.1 -0.809 28.1-109.5-130.5 174.0 45.0 17.3 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.621 33.9-101.5 -96.6 177.6 47.0 14.0 27.2 60 60 A K H > S+ 0 0 105 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.861 122.9 53.0 -58.8 -43.0 47.2 11.2 24.6 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.874 107.3 50.2 -60.6 -42.9 44.8 9.2 26.7 62 62 A E H > S+ 0 0 39 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.895 110.4 51.4 -67.1 -37.7 42.3 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -34,-0.4 0.907 109.3 49.0 -63.8 -40.7 42.5 12.3 23.1 64 64 A E H X S+ 0 0 75 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.842 107.7 56.0 -70.4 -25.5 41.9 8.7 22.6 65 65 A K H X S+ 0 0 135 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.951 107.4 46.8 -72.1 -44.0 39.0 8.8 24.8 66 66 A L H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.889 112.5 52.7 -61.2 -36.9 37.3 11.5 22.9 67 67 A F H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.926 106.8 50.4 -64.4 -47.2 38.1 9.5 19.7 68 68 A N H X S+ 0 0 90 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.906 112.8 47.5 -56.4 -44.5 36.5 6.4 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.908 111.6 51.2 -63.2 -40.5 33.4 8.3 22.0 70 70 A D H X S+ 0 0 36 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.849 109.1 48.3 -67.7 -33.9 33.3 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.945 112.3 50.0 -71.1 -40.3 33.6 6.8 16.6 72 72 A D H X S+ 0 0 101 -4,-2.0 4,-2.5 1,-0.3 5,-0.2 0.901 110.4 50.5 -60.1 -46.2 30.8 5.2 18.7 73 73 A A H X S+ 0 0 53 -4,-2.4 4,-2.9 2,-0.2 -1,-0.3 0.896 108.9 52.2 -59.1 -42.2 28.7 8.2 18.1 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.964 111.4 45.1 -60.4 -53.0 29.3 8.1 14.3 75 75 A V H X S+ 0 0 36 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 115.4 47.9 -53.9 -49.5 28.2 4.5 14.1 76 76 A R H X S+ 0 0 148 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.893 110.0 52.5 -60.2 -44.6 25.2 5.0 16.3 77 77 A G H X S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.2 3,-0.3 0.913 109.5 49.4 -57.6 -47.1 24.2 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 7,-0.5 0.936 110.5 50.3 -57.4 -47.2 24.4 6.1 11.1 79 79 A L H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.710 111.6 49.2 -69.3 -17.9 22.3 3.3 12.6 80 80 A R H 3< S+ 0 0 163 -4,-1.4 2,-0.5 -3,-0.3 -1,-0.3 0.516 91.3 94.8 -93.4 -11.2 19.8 5.7 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.4 0.871 100.2 63.4 -86.9 -46.4 22.0 6.0 6.2 85 85 A K H X S+ 0 0 85 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.891 100.8 52.5 -48.8 -44.4 21.3 2.8 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.902 111.3 49.0 -63.5 -35.6 20.0 1.0 4.8 87 87 A V H > S+ 0 0 0 -4,-0.5 4,-0.9 -3,-0.4 3,-0.4 0.956 112.8 46.0 -64.4 -51.2 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.936 109.0 55.8 -55.5 -46.3 25.4 0.8 5.7 89 89 A D H 3< S+ 0 0 78 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.850 106.4 52.3 -59.2 -30.8 23.5 -2.5 6.0 90 90 A S H 3< S+ 0 0 39 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.678 96.9 88.5 -79.6 -17.5 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.1 31,-0.0 -4,-0.9 2,-0.0 -0.485 74.1-115.9 -90.4 160.1 27.7 -2.7 2.4 92 92 A D > - 0 0 54 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.163 43.7 -93.3 -75.3 171.5 30.7 -4.9 3.0 93 93 A T H > S+ 0 0 115 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.863 121.4 46.6 -63.3 -40.9 33.1 -4.3 6.0 94 94 A V H > S+ 0 0 18 62,-0.2 4,-1.5 2,-0.2 3,-0.3 0.912 113.3 48.8 -68.5 -43.2 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.859 104.0 60.0 -69.3 -28.7 33.1 0.0 2.6 96 96 A R H X S+ 0 0 76 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.887 102.0 54.9 -61.6 -35.5 31.2 0.5 5.9 97 97 A A H X S+ 0 0 8 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.891 104.1 54.1 -65.2 -35.9 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.880 108.8 48.5 -64.5 -38.6 34.4 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.897 109.7 52.0 -69.1 -39.3 30.9 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.925 106.8 53.7 -60.8 -42.9 31.8 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.958 109.2 48.5 -58.8 -44.4 34.8 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.895 111.8 49.3 -63.3 -38.3 32.6 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 108.9 53.4 -68.5 -37.5 30.1 10.6 8.9 104 104 A F H < S+ 0 0 31 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.943 115.4 39.3 -61.7 -43.1 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.897 131.7 18.8 -74.0 -44.7 34.1 14.3 9.2 106 106 A M H X S- 0 0 53 -4,-2.5 4,-0.7 -5,-0.2 -3,-0.2 0.485 102.4-112.9-112.1 -5.3 31.0 15.8 8.1 107 107 A G H X - 0 0 31 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.167 34.2 -79.2 85.9 156.2 28.2 14.7 10.3 108 108 A E H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.838 126.3 53.7 -63.9 -31.8 25.3 12.6 9.7 109 109 A T H > S+ 0 0 118 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.912 106.6 48.5 -73.0 -44.1 23.4 15.3 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.5 1,-0.2 4,-0.3 0.916 114.3 48.1 -63.2 -42.7 25.9 16.3 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.929 103.6 58.1 -64.8 -42.8 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 97.3 67.5 -57.4 -23.2 22.7 12.0 4.3 113 113 A G T << S+ 0 0 56 -4,-1.0 2,-1.3 -3,-0.5 3,-0.3 0.570 73.1 85.5 -73.9 -16.0 22.7 14.8 1.7 114 114 A F <> + 0 0 42 -3,-2.3 4,-2.5 -4,-0.3 5,-0.3 -0.290 58.0 159.8 -84.6 51.5 24.7 12.8 -0.9 115 115 A T H > + 0 0 86 -2,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.838 66.1 44.2 -38.9 -60.1 21.4 11.3 -2.1 116 116 A N H > S+ 0 0 78 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.885 114.0 47.5 -62.4 -44.0 22.5 10.2 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.863 109.8 55.9 -66.2 -34.0 25.8 8.8 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.889 107.5 49.6 -60.5 -41.6 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 112 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.928 109.6 49.9 -64.5 -41.6 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 32 -4,-2.0 5,-2.1 1,-0.2 4,-0.5 0.825 109.7 51.3 -66.3 -36.1 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.931 107.2 52.6 -69.3 -41.5 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.857 110.3 48.9 -58.3 -34.5 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.510 113.1-120.3 -83.9 -3.9 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 104 -3,-1.4 2,-1.2 -4,-0.5 -3,-0.2 0.789 61.8 147.9 68.3 34.1 26.7 -1.5 -5.9 125 125 A R >< + 0 0 110 -5,-2.1 4,-2.2 1,-0.2 -1,-0.2 -0.778 20.0 172.9 -99.6 75.5 27.6 0.8 -8.9 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.864 68.1 46.5 -59.3 -50.0 31.1 1.5 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 115.9 47.3 -68.0 -36.5 32.7 3.3 -10.4 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.884 109.3 52.1 -68.3 -42.6 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.895 107.9 54.1 -60.9 -40.0 29.4 6.3 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.875 109.0 47.4 -66.1 -35.5 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.933 113.1 48.0 -71.3 -42.0 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 42 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.932 107.5 54.3 -65.8 -41.8 29.5 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.857 100.8 63.2 -60.1 -30.2 31.1 11.6 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.7 -5,-0.2 -1,-0.3 0.740 85.7 76.3 -68.3 -21.3 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 159 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.529 80.9 97.6 -87.8 74.0 31.5 16.3 -7.6 136 136 A S S > S- 0 0 16 -2,-1.7 4,-1.7 1,-0.1 3,-0.2 -0.994 84.8-116.4-155.7 154.6 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.867 114.1 65.8 -58.6 -38.3 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.924 105.0 41.2 -48.6 -47.5 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.8 51.4 -74.6 -37.0 36.4 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.794 116.5 40.1 -68.0 -32.1 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.868 132.6 19.8 -85.5 -44.7 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.540 75.1 161.5-126.9 74.3 40.0 18.2 1.1 143 143 A P H > + 0 0 49 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.791 68.1 51.4 -65.6 -36.8 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.937 115.7 41.8 -70.0 -41.6 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 114.4 51.9 -63.4 -47.0 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 -8,-0.2 5,-0.2 0.940 107.6 53.2 -57.8 -43.7 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.880 107.7 52.6 -57.5 -40.3 40.4 10.5 -2.9 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.927 112.8 41.1 -62.6 -47.8 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.900 115.3 52.9 -66.8 -41.2 37.8 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.909 107.5 49.8 -58.1 -46.1 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.2 6,-0.3 0.840 108.3 56.2 -61.4 -35.1 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.908 109.7 43.4 -64.2 -44.5 38.0 2.7 -0.7 153 153 A F H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.2 51.8 -69.1 -35.9 34.4 2.8 -1.8 154 154 A R H < S+ 0 0 100 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.928 123.7 25.3 -64.8 -41.9 35.5 2.0 -5.3 155 155 A T H < S- 0 0 49 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.662 84.6-136.0 -95.6 -27.4 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.2 1,-0.3 -62,-0.2 0.677 75.3 103.0 66.5 23.2 36.3 -2.4 -1.3 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.819 78.6-123.6-126.8 169.6 40.1 -2.7 -0.2 158 158 A W S > S+ 0 0 45 -2,-0.2 3,-2.0 1,-0.2 4,-0.4 0.149 70.8 120.1 -96.8 15.9 42.4 -0.7 2.1 159 159 A D G > + 0 0 93 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.764 66.4 62.0 -53.3 -29.6 45.0 0.0 -0.6 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.680 107.6 47.3 -68.4 -20.1 44.6 3.8 -0.3 161 161 A Y G < 0 0 18 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.378 360.0 360.0-102.9 4.3 45.7 3.4 3.2 162 162 A K < 0 0 173 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.957 360.0 360.0 -91.7 360.0 48.7 1.2 2.5