==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-DEC-09 3L64 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,X.-J.ZHANG,J.D.LINDSTROM,S.D.PEPIOT,W.A.BAASE, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 7.3 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 . 8 4.9 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 2 0 0 1 2 0 0 1 1 0 0 0 0 0 0 0 2 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 65 0, 0.0 2,-0.2 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 119.0 -3.8 -17.4 15.9 2 2 A N > - 0 0 64 156,-0.0 4,-2.4 95,-0.0 3,-0.4 -0.800 360.0 -78.7-142.2 175.7 -3.5 -14.1 17.8 3 3 A I H > S+ 0 0 29 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.810 125.8 50.5 -48.2 -37.6 -0.9 -11.9 19.4 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.878 111.8 44.8 -71.9 -42.0 -0.7 -14.1 22.5 5 5 A E H > S+ 0 0 97 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.849 114.2 50.7 -72.9 -34.5 -0.3 -17.3 20.7 6 6 A M H >X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.9 0.966 110.9 47.5 -63.3 -56.8 2.3 -15.8 18.3 7 7 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.820 108.1 57.7 -53.0 -32.3 4.4 -14.3 21.3 8 8 A R H 3X S+ 0 0 92 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.870 106.4 47.6 -67.5 -35.2 4.2 -17.7 23.0 9 9 A I H << S+ 0 0 84 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.856 117.2 42.7 -74.4 -40.7 5.8 -19.4 20.1 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.820 125.3 30.1 -73.6 -45.0 8.6 -16.8 19.8 11 11 A E H < S- 0 0 31 -4,-2.6 19,-0.4 -5,-0.2 -3,-0.2 0.719 90.8-160.3 -89.9 -24.1 9.4 -16.3 23.5 12 12 A G < - 0 0 19 -4,-1.6 2,-0.4 -5,-0.4 18,-0.1 -0.093 29.9 -77.4 68.2-172.9 8.6 -19.8 24.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.976 45.0 176.4-130.4 126.0 8.0 -20.3 28.6 14 14 A R E -A 28 0A 136 14,-2.7 14,-3.2 -2,-0.4 4,-0.1 -0.979 15.9-168.5-134.2 122.0 10.6 -20.5 31.2 15 15 A L E S+ 0 0 59 -2,-0.4 43,-1.6 12,-0.2 2,-0.3 0.666 72.5 62.5 -79.7 -20.4 9.9 -20.9 34.9 16 16 A K E S-C 57 0B 140 41,-0.2 12,-0.2 1,-0.1 41,-0.2 -0.775 98.9 -86.5-106.4 152.9 13.5 -20.2 36.2 17 17 A I E + 0 0 34 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.128 54.3 172.5 -54.9 143.3 15.5 -16.9 35.7 18 18 A Y E -A 26 0A 41 8,-2.7 8,-3.2 -4,-0.1 2,-0.4 -0.924 30.0-115.0-148.1 172.8 17.4 -16.6 32.5 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.3 6,-0.3 2,-0.1 -0.925 27.2-137.9-113.4 145.1 19.4 -14.3 30.4 20 20 A D > - 0 0 53 4,-2.4 3,-3.2 -2,-0.4 4,-0.0 -0.406 41.3 -81.4 -87.8-176.4 18.4 -13.1 27.1 21 21 A T T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.651 133.2 49.0 -52.0 -23.8 20.5 -12.6 23.9 22 22 A E T 3 S- 0 0 93 2,-0.1 -1,-0.3 119,-0.0 -3,-0.0 0.442 124.3-102.1-102.4 0.3 21.7 -9.3 25.4 23 23 A G S < S+ 0 0 39 -3,-3.2 2,-0.3 1,-0.3 -2,-0.1 0.646 73.0 143.6 93.3 12.1 22.6 -10.7 28.8 24 24 A Y - 0 0 74 1,-0.0 -4,-2.4 -4,-0.0 2,-0.5 -0.621 56.1-111.6 -91.6 142.3 19.5 -9.5 30.6 25 25 A Y E +AB 19 34A 46 9,-0.7 8,-2.0 11,-0.3 9,-1.0 -0.674 49.1 166.6 -78.3 123.0 17.8 -11.5 33.3 26 26 A T E -AB 18 32A 6 -8,-3.2 -8,-2.7 -2,-0.5 2,-0.3 -0.893 13.6-174.8-131.6 157.9 14.4 -12.5 32.1 27 27 A I E > + B 0 31A 0 4,-2.1 4,-2.4 -2,-0.3 2,-0.5 -0.993 47.2 6.7-156.4 162.8 11.7 -15.0 33.1 28 28 A G E 4 S-A 14 0A 0 -14,-3.2 -14,-2.7 -2,-0.3 2,-0.8 -0.587 123.4 -5.3 77.7-121.2 8.5 -16.5 32.1 29 29 A I T 4 S- 0 0 4 -2,-0.5 -16,-0.1 34,-0.3 -1,-0.1 -0.748 129.8 -54.4-108.4 69.6 7.2 -15.6 28.6 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-0.8 -19,-0.4 -2,-0.2 0.810 84.4 163.6 66.0 33.8 9.9 -13.2 27.8 31 31 A H E < -B 27 0A 30 -4,-2.4 -4,-2.1 1,-0.0 2,-0.6 -0.702 32.7-139.4 -89.0 117.1 9.5 -11.0 30.8 32 32 A L E -B 26 0A 66 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.562 14.6-170.3 -76.8 113.5 12.5 -8.7 31.4 33 33 A L E - 0 0 12 -8,-2.0 2,-0.3 -2,-0.6 -7,-0.2 0.984 61.1 -42.1 -65.7 -53.6 13.3 -8.5 35.2 34 34 A T E -B 25 0A 31 -9,-1.0 -9,-0.7 2,-0.1 -1,-0.2 -0.996 32.0-122.4-168.1 167.3 15.8 -5.7 34.8 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.1 0.654 80.0 104.1 -88.3 -15.7 18.7 -4.1 33.0 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.3 5,-0.1 -2,-0.1 -0.476 75.1-130.5 -67.6 138.9 20.9 -4.1 36.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.587 72.6 107.6 -65.8 -16.1 23.6 -6.8 36.1 38 38 A S > - 0 0 47 1,-0.1 4,-1.3 2,-0.0 5,-0.1 -0.526 56.1-156.7 -74.0 127.5 22.9 -8.2 39.6 39 39 A L H > S+ 0 0 67 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.691 100.6 50.8 -65.6 -21.7 21.2 -11.6 39.9 40 40 A N H > S+ 0 0 125 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.904 107.9 51.2 -79.7 -44.6 20.1 -10.5 43.4 41 41 A A H > S+ 0 0 37 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.697 112.4 47.4 -60.5 -28.0 18.7 -7.3 42.1 42 42 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.887 109.6 52.1 -81.8 -45.8 16.8 -9.2 39.4 43 43 A K H X S+ 0 0 66 -4,-1.4 4,-1.3 2,-0.2 13,-0.3 0.679 108.1 53.4 -62.7 -22.1 15.5 -11.7 42.0 44 44 A E H X S+ 0 0 127 -4,-1.2 4,-3.3 2,-0.2 5,-0.3 0.945 108.0 49.5 -78.1 -48.1 14.3 -8.8 44.1 45 45 A E H X S+ 0 0 66 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.855 109.5 52.4 -55.4 -40.5 12.4 -7.4 41.1 46 46 A L H X S+ 0 0 0 -4,-2.0 4,-3.6 2,-0.2 5,-0.3 0.909 111.9 44.7 -65.7 -42.2 10.8 -10.8 40.5 47 47 A D H X S+ 0 0 25 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.960 110.8 52.8 -69.5 -50.0 9.6 -11.1 44.1 48 48 A K H < S+ 0 0 147 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.6 41.7 -56.9 -21.3 8.4 -7.6 44.1 49 49 A A H < S+ 0 0 37 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.925 117.9 39.6 -89.4 -55.1 6.5 -8.6 41.0 50 50 A I H < S- 0 0 23 -4,-3.6 -3,-0.2 2,-0.2 -2,-0.2 0.725 103.8-134.9 -63.3 -17.0 5.2 -12.0 41.7 51 51 A G S < S+ 0 0 65 -4,-2.5 2,-0.2 -5,-0.3 -4,-0.1 0.279 73.8 81.8 80.0 -11.8 4.5 -10.6 45.2 52 52 A R S S- 0 0 100 -6,-0.3 2,-1.3 -5,-0.1 -1,-0.2 -0.769 93.6 -93.4-121.2 168.2 6.0 -13.6 46.9 53 53 A N + 0 0 137 -2,-0.2 -9,-0.1 1,-0.2 -6,-0.0 -0.672 52.3 164.8 -85.7 99.0 9.5 -14.9 47.8 54 54 A T - 0 0 12 -2,-1.3 -1,-0.2 -11,-0.2 -11,-0.0 0.808 40.1-137.0 -88.6 -37.0 10.2 -17.0 44.8 55 55 A N S S- 0 0 119 -12,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.905 77.4 -57.9 71.2 45.2 13.9 -17.7 44.8 56 56 A G S S+ 0 0 5 -13,-0.3 -39,-1.2 1,-0.2 2,-0.4 0.759 116.7 113.3 54.4 28.1 13.8 -17.0 41.1 57 57 A V B +C 16 0B 42 -41,-0.2 2,-0.3 -30,-0.0 -41,-0.2 -0.992 39.9 172.7-128.0 133.5 11.3 -19.8 40.6 58 58 A I - 0 0 7 -43,-1.6 2,-0.2 -2,-0.4 -30,-0.1 -0.926 26.3-110.9-134.4 169.5 7.6 -19.2 39.4 59 59 A T >> - 0 0 69 -2,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.572 34.3-106.8 -97.5 161.0 4.5 -21.1 38.3 60 60 A K H 3> S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.814 121.5 56.0 -49.8 -31.4 2.8 -21.3 34.9 61 61 A D H 3> S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.815 105.2 44.4 -72.6 -45.8 0.3 -19.1 36.5 62 62 A E H <> S+ 0 0 30 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.802 114.1 52.5 -74.3 -25.8 2.4 -16.3 37.6 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -34,-0.3 0.913 108.0 51.6 -70.7 -43.4 4.2 -16.4 34.2 64 64 A E H X S+ 0 0 90 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.862 108.8 52.3 -60.4 -33.6 0.8 -16.2 32.4 65 65 A K H X S+ 0 0 91 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.905 109.6 46.2 -71.5 -39.4 -0.1 -13.2 34.6 66 66 A L H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.883 110.2 56.7 -65.2 -40.8 3.1 -11.3 33.7 67 67 A F H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.984 106.7 47.1 -54.4 -57.3 2.5 -12.2 30.1 68 68 A N H X S+ 0 0 96 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.904 115.0 46.6 -51.4 -47.2 -1.0 -10.6 30.1 69 69 A Q H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.3 51.2 -68.6 -28.1 0.3 -7.4 31.8 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.884 109.3 48.9 -70.6 -41.1 3.3 -7.3 29.3 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.890 112.9 50.1 -63.7 -38.1 1.1 -7.6 26.2 72 72 A D H X S+ 0 0 95 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.938 110.3 47.0 -66.6 -42.3 -1.1 -4.9 27.5 73 73 A A H X S+ 0 0 54 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.879 108.9 55.7 -72.7 -34.1 1.8 -2.5 28.3 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.937 108.6 48.8 -60.2 -42.3 3.2 -3.2 24.8 75 75 A V H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.939 111.6 46.0 -64.2 -48.2 -0.0 -2.1 23.3 76 76 A R H X S+ 0 0 141 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.782 108.1 61.9 -69.3 -14.3 -0.4 1.1 25.3 77 77 A G H X S+ 0 0 2 -4,-1.3 4,-0.7 -5,-0.2 -1,-0.2 0.905 104.4 44.9 -74.3 -41.9 3.2 1.7 24.5 78 78 A I H < S+ 0 0 0 -4,-1.9 7,-0.4 1,-0.2 3,-0.4 0.918 113.5 52.2 -66.7 -39.8 2.6 1.9 20.8 79 79 A L H < S+ 0 0 72 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.692 110.1 46.0 -69.5 -25.0 -0.5 4.1 21.4 80 80 A R H < S+ 0 0 180 -4,-1.3 2,-0.6 -3,-0.2 -1,-0.2 0.519 96.0 98.3 -91.0 -12.0 1.3 6.7 23.5 81 81 A N X - 0 0 29 -4,-0.7 4,-3.0 -3,-0.4 -4,-0.0 -0.684 60.7-158.8 -86.6 119.9 4.1 6.8 21.0 82 82 A A T 4 S+ 0 0 92 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.784 96.8 40.4 -65.6 -27.4 4.1 9.6 18.4 83 83 A K T 4 S+ 0 0 103 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.828 123.6 38.8 -84.6 -42.0 6.4 7.5 16.0 84 84 A L T >> S+ 0 0 0 -7,-0.2 4,-2.6 2,-0.1 3,-0.8 0.880 103.5 65.4 -78.1 -46.6 4.7 4.2 16.6 85 85 A K H 3X S+ 0 0 75 -4,-3.0 4,-3.6 -7,-0.4 5,-0.3 0.920 101.4 47.4 -48.2 -55.5 0.9 5.1 16.8 86 86 A P H 3> S+ 0 0 46 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.807 113.9 48.7 -60.8 -26.7 0.4 6.4 13.3 87 87 A V H <4 S+ 0 0 1 -3,-0.8 4,-0.4 -4,-0.3 -2,-0.2 0.896 113.6 47.2 -79.8 -39.8 2.2 3.3 11.9 88 88 A Y H >< S+ 0 0 35 -4,-2.6 3,-2.7 1,-0.2 -3,-0.2 0.982 111.9 49.1 -58.5 -55.4 0.1 1.1 14.1 89 89 A D H 3< S+ 0 0 72 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.8 56.5 -51.9 -36.8 -3.2 2.9 13.1 90 90 A S T 3< S+ 0 0 41 -4,-1.0 -1,-0.3 -5,-0.3 2,-0.3 0.593 97.0 85.1 -77.7 -6.5 -2.1 2.5 9.6 91 91 A L S < S- 0 0 6 -3,-2.7 31,-0.0 -4,-0.4 5,-0.0 -0.664 74.3-117.9-101.2 163.0 -1.8 -1.2 9.7 92 92 A D > - 0 0 61 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.136 43.5 -93.0 -79.6 176.6 -4.1 -4.2 9.4 93 93 A A H > S+ 0 0 73 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.857 121.9 45.3 -61.7 -45.8 -4.7 -6.6 12.2 94 94 A V H >> S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.945 116.1 47.6 -64.1 -44.8 -2.0 -9.3 11.4 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.757 105.2 60.4 -67.8 -26.0 0.6 -6.6 10.8 96 96 A R H 3X S+ 0 0 76 -4,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.812 101.1 52.3 -71.8 -32.7 -0.4 -5.0 13.9 97 97 A A H S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.799 131.3 49.9 -59.6 -37.4 9.2 1.4 22.3 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 108.7 50.0 -70.0 -48.1 12.6 3.0 22.1 110 110 A G H X S+ 0 0 34 -4,-0.8 4,-0.5 1,-0.2 -2,-0.2 0.903 116.9 41.9 -53.6 -45.2 14.3 0.1 20.4 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.860 105.9 60.1 -74.6 -36.2 11.5 -0.0 17.8 112 112 A A H 3< S+ 0 0 13 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.830 94.2 69.4 -62.6 -22.5 11.1 3.8 17.2 113 113 A G H 3< S+ 0 0 50 -4,-1.5 2,-4.3 1,-0.3 3,-0.3 0.939 77.3 81.2 -56.9 -44.9 14.7 3.6 16.2 114 114 A F + 0 0 39 -2,-4.3 4,-2.8 -3,-0.3 -1,-0.2 0.845 63.9 47.7 -41.0 -56.7 12.7 4.9 11.3 116 116 A N H > S+ 0 0 92 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.890 116.0 42.2 -60.3 -44.7 13.2 3.9 7.7 117 117 A S H > S+ 0 0 5 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.846 113.8 53.5 -75.7 -26.8 11.4 0.6 8.0 118 118 A L H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 109.2 49.4 -69.2 -40.1 8.7 2.3 10.0 119 119 A R H X S+ 0 0 127 -4,-2.8 4,-0.8 -5,-0.3 -1,-0.2 0.919 110.9 49.6 -59.2 -44.9 8.3 4.9 7.3 120 120 A M H <>S+ 0 0 32 -4,-1.8 5,-2.9 -5,-0.2 -1,-0.2 0.843 108.9 52.2 -65.4 -32.5 8.1 2.1 4.7 121 121 A L H ><5S+ 0 0 2 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.932 106.6 52.9 -68.1 -46.4 5.4 0.3 6.8 122 122 A Q H 3<5S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.678 111.8 48.4 -63.8 -16.5 3.3 3.4 7.0 123 123 A Q T 3<5S- 0 0 98 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.315 114.4-115.2-103.6 2.3 3.6 3.6 3.2 124 124 A K T < 5 + 0 0 137 -3,-1.8 2,-1.3 1,-0.2 3,-0.2 0.729 64.3 146.9 70.7 28.2 2.7 0.1 2.5 125 125 A R >< + 0 0 97 -5,-2.9 4,-2.6 1,-0.2 5,-0.3 -0.453 14.4 167.6 -97.6 66.6 6.0 -0.9 1.1 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.861 70.0 48.0 -42.6 -59.0 6.0 -4.4 2.3 127 127 A D H > S+ 0 0 98 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.925 113.5 45.0 -57.8 -45.0 9.0 -5.6 0.3 128 128 A E H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 109.7 54.6 -72.4 -32.3 11.3 -2.7 1.1 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.942 103.9 56.1 -69.0 -39.0 10.6 -2.7 4.8 130 130 A A H X S+ 0 0 8 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.929 107.3 48.0 -53.4 -45.0 11.4 -6.3 5.1 131 131 A V H X S+ 0 0 72 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.868 113.5 48.9 -63.1 -39.6 15.0 -5.8 3.6 132 132 A N H < S+ 0 0 49 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.870 109.9 50.5 -68.4 -40.2 15.5 -3.0 5.8 133 133 A L H < S+ 0 0 3 -4,-2.7 6,-0.4 1,-0.2 -2,-0.2 0.909 109.1 51.9 -65.0 -43.3 14.3 -5.0 8.8 134 134 A A H < S+ 0 0 34 -4,-2.7 2,-2.4 1,-0.2 -1,-0.2 0.720 92.3 78.5 -65.3 -23.6 16.7 -7.8 7.9 135 135 A K S < S+ 0 0 164 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.2 -0.467 85.9 90.9 -83.8 67.2 19.6 -5.4 7.7 136 136 A S S > S- 0 0 22 -2,-2.4 4,-1.5 1,-0.1 5,-0.1 -0.998 84.0-116.4-162.1 161.8 20.0 -5.3 11.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.867 113.0 62.2 -64.4 -41.8 21.5 -6.6 14.6 138 138 A W H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.959 103.9 49.6 -48.3 -51.1 18.1 -7.6 15.8 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.958 112.4 46.6 -56.5 -44.7 18.0 -9.9 12.8 140 140 A N H < S+ 0 0 115 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.8 46.7 -66.2 -35.5 21.4 -11.4 13.6 141 141 A Q H < S+ 0 0 69 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.957 132.5 16.5 -69.0 -53.3 20.8 -11.9 17.3 142 142 A T S X S+ 0 0 32 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.3 -0.760 76.5 160.8-124.4 77.7 17.3 -13.6 16.9 143 143 A P H > + 0 0 42 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.740 69.5 46.7 -72.1 -36.8 17.2 -14.6 13.2 144 144 A N H > S+ 0 0 103 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.858 118.8 42.0 -77.3 -35.4 14.4 -17.3 13.1 145 145 A R H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 114.5 51.5 -72.9 -46.4 12.1 -15.2 15.2 146 146 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.823 107.9 53.6 -58.1 -34.3 13.1 -12.1 13.2 147 147 A K H X S+ 0 0 84 -4,-1.1 4,-3.1 2,-0.2 5,-0.3 0.939 108.8 48.0 -66.2 -50.6 12.3 -14.1 10.0 148 148 A R H X S+ 0 0 63 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.952 114.9 46.2 -53.3 -46.5 8.8 -15.0 11.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.3 0.960 112.9 48.8 -65.6 -47.5 8.1 -11.4 12.2 150 150 A I H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.873 110.5 49.9 -58.5 -46.3 9.5 -10.0 9.0 151 151 A T H X>S+ 0 0 47 -4,-3.1 4,-2.1 1,-0.2 5,-0.5 0.892 105.8 59.0 -64.1 -32.5 7.5 -12.4 6.9 152 152 A T H X5S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.931 108.2 43.8 -63.6 -41.1 4.5 -11.4 8.8 153 153 A F H <5S+ 0 0 3 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.806 115.5 53.9 -72.7 -23.6 4.9 -7.9 7.8 154 154 A R H <5S+ 0 0 111 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.984 122.5 17.8 -68.1 -72.1 5.6 -9.1 4.4 155 155 A T H <5S- 0 0 69 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.528 90.5-129.2 -76.0 -19.4 2.7 -11.2 3.5 156 156 A G S <> S+ 0 0 44 -2,-0.2 3,-1.3 1,-0.2 4,-1.0 0.205 75.7 117.7 -97.2 11.8 0.1 -16.0 10.0 159 159 A D H >> + 0 0 87 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.875 67.2 57.3 -47.7 -46.7 1.9 -18.4 7.5 160 160 A A H 34 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.875 111.5 44.8 -58.1 -30.7 5.2 -18.1 9.2 161 161 A Y H <4 S+ 0 0 20 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.649 114.9 44.8 -90.8 -12.7 3.6 -19.2 12.4 162 162 A K H << S+ 0 0 131 -4,-1.0 2,-0.4 -3,-0.8 -2,-0.2 0.596 108.0 61.1-101.2 -17.6 1.6 -22.0 10.9 163 163 A N < 0 0 115 -4,-2.1 -1,-0.1 -5,-0.2 0, 0.0 -0.948 360.0 360.0-122.4 142.4 4.3 -23.7 8.7 164 164 A L 0 0 230 -2,-0.4 -1,-0.1 -3,-0.1 -4,-0.1 0.530 360.0 360.0 -66.8 360.0 7.7 -25.3 9.4