==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 06-MAY-91 1L62 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 2 1 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.8 43.5 -1.7 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.4 95,-0.0 3,-0.2 -0.899 360.0 -84.5-151.1 173.4 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.843 124.1 53.0 -56.0 -39.9 38.2 2.3 11.2 4 4 A F H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 112.9 41.5 -63.0 -47.2 40.3 3.6 14.1 5 5 A E H > S+ 0 0 96 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.842 114.2 54.6 -69.5 -33.0 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.967 112.2 41.0 -63.9 -53.0 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.837 109.2 60.1 -64.4 -32.4 40.7 7.8 10.9 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.888 107.6 46.9 -64.5 -31.6 43.9 8.3 12.9 9 9 A I H < S+ 0 0 87 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.926 115.7 44.9 -73.9 -43.2 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.839 124.9 29.3 -71.5 -33.7 43.1 11.0 8.1 11 11 A E H < S- 0 0 42 -4,-2.5 19,-0.3 -5,-0.2 -1,-0.2 0.715 90.3-152.3-101.8 -24.0 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.184 25.2 -88.1 76.7-172.0 46.2 13.1 12.9 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 41.4 174.4-140.0 125.5 46.7 13.7 16.6 14 14 A R E -A 28 0A 138 14,-1.5 14,-2.3 -2,-0.4 4,-0.1 -1.000 18.1-163.7-135.3 127.9 47.2 17.1 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.428 74.3 62.3 -91.2 -2.1 47.4 17.6 21.9 16 16 A K E S-C 57 0B 95 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 101.3 -87.0-122.6 145.6 46.9 21.4 21.8 17 17 A I E + 0 0 18 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.242 59.3 171.2 -49.0 137.1 43.8 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.888 35.4-102.0-142.4 172.6 44.2 23.8 16.7 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.864 33.7-138.7-102.1 134.2 42.3 25.1 13.8 20 20 A D > - 0 0 49 4,-3.0 3,-1.5 -2,-0.5 -1,-0.1 -0.030 40.6 -81.9 -75.4-171.6 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.775 133.8 48.8 -65.2 -24.8 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 -3,-0.0 0.427 124.8-103.8 -90.7 -5.6 37.7 25.0 7.8 23 23 A G S < S+ 0 0 37 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.604 73.9 141.3 91.5 18.5 39.3 27.1 10.4 24 24 A Y - 0 0 77 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.763 59.8 -99.6 -99.9 148.0 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.7 11,-0.4 9,-1.3 -0.362 54.7 160.2 -61.2 120.9 38.8 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.869 18.8-169.3-137.8 163.2 39.6 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.8 -2,-0.3 2,-0.2 -0.962 52.9 0.9-150.7 162.4 41.8 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.5 -2,-0.3 2,-0.8 -0.359 123.0 -3.3 66.8-127.1 43.0 15.5 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.637 126.8 -54.9-104.3 71.7 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.1 -19,-0.3 -2,-0.2 0.780 83.5 161.6 66.2 27.4 39.7 15.5 14.7 31 31 A H E < -B 27 0A 33 -4,-1.8 -4,-1.4 1,-0.0 -1,-0.2 -0.673 33.4-141.7 -82.6 102.0 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.344 21.0-178.2 -60.5 130.4 35.5 19.5 16.7 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.902 57.6 -25.8 -95.2 -50.4 35.2 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.976 34.4-138.8-161.0 155.5 33.2 24.8 18.4 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.509 74.9 111.3 -93.5 -8.2 32.4 26.7 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.379 72.4-133.1 -70.5 144.1 32.7 29.9 17.3 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.616 76.2 103.9 -70.5 -12.1 35.6 32.2 16.6 38 38 A S > - 0 0 51 1,-0.2 4,-1.7 2,-0.1 3,-0.2 -0.659 57.6-159.7 -84.9 121.7 36.4 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.0 1,-0.3 -1,-0.2 0.704 98.0 54.7 -63.3 -23.3 39.3 30.6 21.6 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.883 102.2 52.2 -81.1 -37.2 37.7 31.0 25.0 41 41 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.886 112.6 50.4 -61.3 -33.8 34.5 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.870 108.8 48.8 -68.1 -44.3 36.8 26.6 22.6 43 43 A K H X S+ 0 0 48 -4,-2.0 4,-2.5 2,-0.2 11,-0.3 0.852 110.8 52.5 -65.2 -34.4 38.7 26.3 26.0 44 44 A S H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 111.6 43.9 -66.6 -47.6 35.3 26.2 27.7 45 45 A E H X S+ 0 0 66 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.922 112.7 55.3 -63.4 -45.1 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.942 108.8 44.9 -54.4 -50.6 37.2 21.6 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.5 4,-1.8 1,-0.2 5,-1.1 0.852 113.2 51.3 -63.7 -34.8 37.1 21.7 29.7 48 48 A K H <5S+ 0 0 143 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.869 110.3 49.8 -64.3 -42.0 33.5 20.6 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 119.4 36.1 -67.0 -38.0 34.4 17.7 27.3 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.646 100.0-127.3 -91.1 -23.4 37.3 16.5 29.5 51 51 A G T <5S+ 0 0 72 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.797 78.1 76.2 79.8 23.9 35.9 17.2 33.0 52 52 A R S - 0 0 9 -2,-0.9 3,-1.3 -11,-0.3 -1,-0.2 0.763 32.8-144.2 -95.3 -20.7 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.842 75.8 -58.8 58.0 36.4 44.2 25.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.509 117.3 101.6 74.6 5.3 43.9 24.1 26.0 57 57 A V B < +C 16 0B 66 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.968 44.0 176.6-126.7 137.1 46.1 21.1 26.5 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.824 26.9-111.5-129.1 167.9 45.2 17.4 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.510 33.5-104.8 -93.3 168.0 47.1 14.1 27.2 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 121.6 52.6 -56.4 -45.3 47.2 11.2 24.7 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 109.6 48.4 -56.9 -46.7 44.8 9.1 26.8 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 111.0 51.5 -63.1 -41.1 42.3 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -34,-0.4 0.875 110.8 48.7 -61.3 -41.5 42.6 12.4 23.1 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.826 107.4 54.2 -70.9 -32.4 42.0 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 108.8 47.9 -66.1 -46.0 39.0 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 111.9 52.4 -55.4 -44.2 37.3 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.935 105.8 52.4 -60.7 -48.9 38.1 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.926 112.4 46.4 -54.7 -44.5 36.5 6.4 21.1 69 69 A Q H X S+ 0 0 93 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.877 111.0 52.0 -64.3 -40.6 33.3 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.870 110.3 45.9 -66.3 -40.2 33.3 10.0 18.5 71 71 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.952 114.3 50.4 -68.3 -44.6 33.6 6.8 16.5 72 72 A D H X S+ 0 0 87 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.940 111.4 46.9 -55.5 -49.4 30.9 5.3 18.7 73 73 A A H X S+ 0 0 44 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.890 110.0 55.0 -62.3 -37.6 28.6 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.966 110.3 44.5 -60.7 -52.9 29.3 8.1 14.4 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 115.1 48.2 -54.6 -51.0 28.3 4.5 14.1 76 76 A R H X S+ 0 0 111 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.868 109.1 53.8 -62.7 -35.0 25.1 5.0 16.3 77 77 A G H X S+ 0 0 3 -4,-2.6 4,-0.9 -5,-0.3 3,-0.3 0.943 108.6 49.0 -66.5 -41.6 24.1 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 7,-0.4 0.934 110.8 51.4 -58.7 -44.6 24.3 6.0 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.765 112.4 44.9 -67.0 -25.1 22.2 3.4 12.7 80 80 A R H 3< S+ 0 0 173 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.3 0.444 92.9 96.0 -92.4 -14.1 19.5 5.8 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.847 100.5 67.1 -89.2 -38.6 22.0 6.0 6.2 85 85 A K H X S+ 0 0 80 -4,-2.4 4,-3.0 -7,-0.4 5,-0.2 0.904 98.5 51.0 -52.0 -49.4 21.1 2.8 7.8 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.883 112.0 49.8 -59.9 -35.6 20.0 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.8 -3,-0.3 3,-0.5 0.972 111.8 46.2 -66.1 -52.6 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.928 110.5 53.8 -53.5 -48.7 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.3 52.9 -58.7 -32.3 23.5 -2.5 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.648 96.7 87.4 -76.8 -17.5 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.3 31,-0.0 -4,-0.8 30,-0.0 -0.557 75.1-116.2 -89.4 157.9 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.179 44.9 -92.1 -75.7 172.1 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.867 122.1 47.8 -57.2 -41.2 33.0 -4.4 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.4 2,-0.2 3,-0.4 0.958 112.9 46.3 -66.6 -49.9 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 24 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.853 105.3 61.4 -63.9 -32.8 33.1 0.1 2.7 96 96 A R H X S+ 0 0 80 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.916 101.8 53.4 -58.6 -39.8 31.2 0.4 6.0 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.4 -1,-0.2 0.886 105.1 55.2 -59.3 -38.7 34.5 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.888 108.3 46.7 -61.8 -40.8 34.4 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.890 110.2 53.0 -71.3 -36.4 30.9 5.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.930 106.7 53.7 -63.5 -41.4 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.959 108.6 48.3 -57.7 -51.5 34.8 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.919 112.6 49.2 -54.5 -46.3 32.5 10.5 5.9 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.908 108.5 52.2 -61.7 -40.2 30.1 10.7 8.8 104 104 A F H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 116.8 40.4 -63.1 -38.5 32.8 11.5 11.4 105 105 A Q H < S+ 0 0 58 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.854 132.9 17.6 -78.1 -43.7 34.1 14.3 9.1 106 106 A M H X S- 0 0 54 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.453 102.2-117.8-118.6 5.1 31.0 15.8 8.0 107 107 A G H X - 0 0 33 -4,-2.2 4,-2.0 -5,-0.3 5,-0.2 0.232 33.8 -77.7 73.8 159.6 28.2 14.7 10.2 108 108 A E H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 127.9 51.3 -59.5 -43.8 25.1 12.7 9.6 109 109 A D H > S+ 0 0 142 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.920 109.8 53.0 -63.7 -41.2 23.1 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.6 2,-0.2 -2,-0.2 0.935 114.5 37.9 -56.1 -58.5 26.0 16.2 5.7 111 111 A V H >< S+ 0 0 1 -4,-2.0 3,-3.1 1,-0.2 -1,-0.2 0.919 108.6 62.9 -63.1 -45.5 26.4 12.7 4.3 112 112 A A H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.785 95.3 64.0 -54.3 -23.3 22.7 12.1 4.3 113 113 A G T << S+ 0 0 54 -4,-1.1 2,-1.7 -3,-0.6 -1,-0.3 0.621 76.3 87.0 -76.8 -9.8 22.6 14.9 1.8 114 114 A F <> + 0 0 43 -3,-3.1 4,-2.4 1,-0.2 3,-0.2 -0.324 56.3 159.0 -83.8 52.4 24.6 12.9 -0.8 115 115 A T H > + 0 0 83 -2,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.862 64.3 45.7 -42.3 -56.6 21.4 11.3 -2.0 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.883 114.1 46.6 -61.6 -42.6 22.6 10.2 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 109.9 56.0 -67.2 -38.9 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 107.7 47.8 -59.2 -43.1 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 119 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.890 112.0 50.5 -66.6 -39.2 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 25 -4,-1.8 5,-2.3 2,-0.2 4,-0.3 0.896 109.4 49.4 -67.0 -39.8 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.959 109.5 52.8 -63.9 -43.7 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.891 109.2 49.2 -58.3 -37.6 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.448 113.5-121.6 -79.8 -2.3 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.2 2,-1.2 -4,-0.3 -3,-0.2 0.785 61.5 147.5 64.0 33.6 26.7 -1.5 -5.8 125 125 A R >< + 0 0 112 -5,-2.3 4,-2.5 1,-0.2 -1,-0.2 -0.727 20.4 174.4 -99.2 80.0 27.6 0.6 -8.8 126 126 A W H > + 0 0 52 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.901 69.6 46.0 -56.4 -53.1 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 114.8 48.6 -62.2 -43.2 32.7 3.2 -10.4 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 110.0 50.3 -66.8 -40.2 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.889 108.3 53.7 -62.4 -39.3 29.4 6.3 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.919 109.5 48.8 -61.8 -43.5 33.1 7.3 -7.1 131 131 A V H < S+ 0 0 91 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.936 114.8 44.3 -61.0 -49.2 32.5 9.6 -10.0 132 132 A N H >< S+ 0 0 40 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.864 107.9 57.3 -67.0 -36.6 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.851 99.8 61.2 -62.6 -32.1 31.1 11.5 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.4 -1,-0.2 0.684 85.5 78.1 -70.0 -19.7 33.9 13.6 -6.5 135 135 A K S < S+ 0 0 152 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.555 79.9 98.1 -88.1 69.2 31.5 16.3 -7.6 136 136 A S S > S- 0 0 19 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.994 84.8-117.4-151.5 155.8 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.915 114.8 64.0 -59.3 -39.4 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.919 105.5 42.0 -46.2 -52.7 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.9 49.8 -67.6 -41.3 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.3 43.1 -66.4 -36.2 37.2 20.1 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 131.5 18.5 -76.4 -44.5 38.2 21.2 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 -0.636 72.6 164.8-128.9 69.9 40.1 18.1 1.0 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.824 70.6 52.3 -58.8 -37.1 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.930 115.4 39.5 -67.9 -45.1 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 115.1 53.0 -67.6 -44.7 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 -8,-0.2 5,-0.2 0.941 107.7 52.0 -56.5 -46.6 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 95 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.868 108.4 51.5 -57.5 -41.4 40.4 10.4 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.934 113.6 42.7 -62.3 -46.0 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 114.8 51.5 -65.4 -43.6 37.8 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.881 108.0 51.3 -60.4 -42.7 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.3 4,-2.3 -5,-0.2 6,-0.3 0.871 106.6 54.8 -64.6 -37.8 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.898 110.8 45.3 -61.2 -41.7 38.0 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.7 48.2 -68.1 -40.1 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.879 126.3 25.0 -65.5 -42.9 35.4 1.9 -5.4 155 155 A T H < S- 0 0 43 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.697 83.8-138.2 -99.0 -29.6 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.714 72.7 101.1 72.6 18.7 36.4 -2.4 -1.2 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.819 79.7-120.1-127.4 170.8 40.1 -2.8 -0.1 158 158 A W S > S+ 0 0 43 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 0.124 71.1 122.2 -97.2 18.2 42.4 -0.7 2.1 159 159 A D G > + 0 0 92 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.835 65.9 58.4 -50.1 -39.7 44.9 -0.0 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.645 108.3 49.0 -67.8 -15.4 44.7 3.8 -0.3 161 161 A Y G < 0 0 18 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.300 360.0 360.0-105.6 5.1 45.7 3.5 3.2 162 162 A K < 0 0 173 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.790 360.0 360.0-111.1 360.0 48.6 1.3 2.7