==== 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 11-JUN-09 3HT7 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 10 6.2 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 . 15 9.3 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 . 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 1 0 0 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 1 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 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.4 53.2 -15.8 -7.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.903 360.0 -84.0-153.2 175.9 50.7 -18.1 -5.3 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.856 126.5 51.1 -59.2 -36.3 47.0 -18.4 -4.9 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 113.1 43.3 -66.3 -47.3 47.0 -15.9 -2.0 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.884 115.0 52.1 -64.4 -37.7 48.9 -13.3 -4.0 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.960 113.0 41.5 -64.3 -53.6 46.8 -13.9 -7.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.839 109.3 59.8 -66.1 -32.4 43.5 -13.5 -5.3 8 8 A R H X S+ 0 0 106 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.911 108.8 45.4 -60.8 -40.4 44.8 -10.5 -3.3 9 9 A I H < S+ 0 0 83 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.938 117.9 42.7 -64.7 -46.3 45.4 -8.8 -6.7 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 125.3 32.2 -71.9 -31.7 42.0 -9.8 -8.1 11 11 A E H < S- 0 0 42 -4,-2.8 19,-0.4 -5,-0.2 -3,-0.2 0.668 92.2-152.5-101.7 -26.1 39.9 -9.0 -5.0 12 12 A G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.164 23.3 -89.1 76.5-175.5 41.7 -6.1 -3.4 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.963 44.9 167.5-137.7 118.1 41.7 -5.4 0.3 14 14 A R E -A 28 0A 146 14,-2.0 14,-2.4 -2,-0.4 4,-0.1 -1.000 21.0-161.9-131.0 133.7 39.0 -3.2 1.9 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.549 73.3 63.6 -97.1 -5.6 38.5 -2.9 5.6 16 16 A K E S-C 57 0B 137 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.892 101.5 -85.8-114.4 148.9 35.0 -1.4 5.6 17 17 A I E + 0 0 30 39,-2.1 2,-0.3 -2,-0.3 10,-0.2 -0.246 58.6 167.7 -51.0 128.9 31.8 -3.1 4.2 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.2 -4,-0.1 2,-0.4 -0.870 37.5-104.0-136.8 168.8 31.6 -2.4 0.4 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.843 34.9-136.7 -99.5 134.5 29.6 -3.8 -2.5 20 20 A D > - 0 0 46 4,-2.5 3,-1.9 -2,-0.4 -1,-0.1 -0.023 42.2 -76.9 -76.8-170.8 31.3 -6.2 -4.9 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.711 135.4 50.0 -64.1 -22.4 31.1 -6.1 -8.7 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.386 123.2-104.6 -94.8 1.8 27.6 -7.7 -8.4 23 23 A G S < S+ 0 0 39 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.592 74.5 141.5 83.7 16.0 26.4 -5.2 -5.9 24 24 A Y - 0 0 75 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.740 60.6-101.9 -95.4 137.5 26.7 -7.5 -2.9 25 25 A Y E +A 19 0A 35 11,-0.4 8,-2.8 -2,-0.4 9,-1.3 -0.301 55.6 159.8 -59.3 129.4 27.9 -6.6 0.6 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-2.7 6,-0.3 2,-0.3 -0.901 19.8-167.2-146.2 160.4 31.5 -7.8 1.0 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.5 -2,-0.3 2,-0.2 -0.978 51.6 3.6-149.4 166.0 34.5 -7.0 3.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-2.0 -2,-0.3 2,-0.9 -0.411 124.2 -7.5 70.4-130.2 38.2 -7.7 3.4 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.713 129.5 -51.9-104.7 73.0 39.7 -9.7 0.4 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.846 81.4 163.7 62.7 36.7 36.5 -10.5 -1.3 31 31 A H E < -B 27 0A 28 -4,-2.5 -4,-1.9 -20,-0.1 -1,-0.2 -0.768 31.4-143.9 -84.6 101.6 34.7 -12.0 1.6 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.474 19.0-176.1 -65.5 128.7 31.0 -12.1 0.5 33 33 A L - 0 0 12 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.857 58.8 -33.7 -93.7 -46.0 28.8 -11.3 3.5 34 34 A T - 0 0 32 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.4 -0.960 35.1-130.3-167.8 158.2 25.3 -11.7 2.0 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.422 75.4 117.1 -92.9 -2.4 23.3 -11.2 -1.2 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.416 67.3-140.9 -64.4 134.1 20.7 -9.4 0.9 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.512 76.6 103.7 -71.0 -3.2 20.2 -5.7 -0.0 38 38 A D >> - 0 0 81 1,-0.2 4,-1.7 2,-0.0 3,-0.7 -0.729 59.3-160.8 -87.9 110.5 19.9 -5.1 3.8 39 39 A L H 3> S+ 0 0 65 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.850 93.3 57.4 -57.3 -35.6 23.0 -3.5 5.2 40 40 A N H 3> S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 102.8 52.8 -64.3 -34.4 22.0 -4.6 8.7 41 41 A A H <> S+ 0 0 31 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.890 110.4 49.6 -66.9 -36.9 21.9 -8.3 7.5 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.913 108.9 50.5 -67.8 -43.0 25.4 -7.8 6.2 43 43 A K H X S+ 0 0 56 -4,-2.5 4,-2.4 2,-0.2 11,-0.3 0.880 110.0 51.8 -62.1 -36.3 26.6 -6.3 9.5 44 44 A S H X S+ 0 0 70 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 109.6 48.3 -64.6 -47.5 25.1 -9.3 11.3 45 45 A E H X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.886 111.3 52.2 -58.9 -38.1 26.9 -11.7 9.0 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.960 109.5 46.7 -62.1 -52.6 30.1 -9.8 9.6 47 47 A D H X>S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 5,-0.8 0.881 113.6 50.2 -57.0 -40.1 29.8 -9.9 13.4 48 48 A K H <5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.7 48.3 -64.1 -43.9 29.0 -13.6 13.2 49 49 A A H <5S+ 0 0 41 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.870 121.5 33.2 -65.1 -38.1 32.1 -14.2 10.9 50 50 A I H <5S- 0 0 39 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.737 101.5-127.1 -93.8 -28.8 34.5 -12.3 13.2 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.699 77.8 73.6 85.2 23.9 33.0 -13.1 16.6 52 52 A R S - 0 0 10 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.609 30.3-144.5 -94.6 -16.8 32.4 -4.9 14.3 55 55 A N T 3 S- 0 0 106 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.888 74.5 -52.6 40.4 50.5 30.0 -2.2 13.2 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.1 1,-0.1 2,-0.4 0.532 119.0 96.8 76.7 10.8 31.0 -2.7 9.6 57 57 A V B < +C 16 0B 53 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.992 43.3 176.4-135.8 137.6 34.8 -2.4 10.0 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.851 27.4-108.2-131.3 171.4 37.6 -5.0 10.5 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.523 33.4-107.4 -94.1 166.8 41.4 -5.0 10.8 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 121.7 52.4 -57.8 -44.0 43.9 -6.3 8.2 61 61 A D H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 109.7 48.3 -59.7 -42.0 44.6 -9.4 10.3 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 110.6 51.8 -66.3 -38.9 40.9 -10.1 10.5 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.930 110.5 48.1 -60.4 -45.8 40.6 -9.7 6.7 64 64 A E H X S+ 0 0 76 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.862 108.2 55.4 -66.5 -33.2 43.4 -12.1 6.2 65 65 A K H X S+ 0 0 136 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.940 110.2 44.4 -63.2 -48.4 41.9 -14.6 8.6 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.902 111.8 55.3 -59.7 -39.8 38.6 -14.7 6.6 67 67 A F H X S+ 0 0 11 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.924 106.6 49.5 -60.2 -47.6 40.7 -14.9 3.4 68 68 A N H X S+ 0 0 88 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.925 113.7 46.3 -57.4 -46.3 42.6 -18.0 4.6 69 69 A Q H X S+ 0 0 100 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.920 113.5 49.4 -61.8 -41.6 39.2 -19.6 5.5 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.885 111.7 46.6 -69.1 -42.2 37.7 -18.6 2.2 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.943 113.9 49.3 -62.7 -48.5 40.6 -19.9 0.1 72 72 A D H X S+ 0 0 91 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.928 110.9 50.5 -54.3 -47.6 40.6 -23.2 2.1 73 73 A A H X S+ 0 0 56 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.864 107.4 53.5 -61.6 -38.6 36.8 -23.5 1.6 74 74 A A H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.935 113.3 42.8 -62.6 -46.4 37.2 -23.0 -2.2 75 75 A V H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.943 114.5 48.1 -65.5 -51.1 39.7 -25.8 -2.4 76 76 A R H X S+ 0 0 145 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.876 110.7 54.7 -60.9 -37.2 37.9 -28.2 -0.2 77 77 A G H >X S+ 0 0 1 -4,-2.3 4,-1.0 -5,-0.3 3,-0.8 0.943 106.6 48.9 -55.5 -54.6 34.7 -27.4 -2.1 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 7,-0.6 0.932 109.5 52.9 -50.0 -51.1 36.3 -28.3 -5.4 79 79 A L H 3< S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 109.4 49.8 -62.0 -23.3 37.6 -31.6 -4.0 80 80 A R H << S+ 0 0 182 -4,-1.1 2,-0.7 -3,-0.8 -1,-0.3 0.589 91.9 90.0 -88.7 -15.1 34.1 -32.5 -2.8 81 81 A N S+ 0 0 12 -3,-0.4 4,-2.8 -6,-0.2 3,-0.4 0.864 102.7 67.7 -89.8 -40.8 35.3 -30.5 -10.5 85 85 A K H X S+ 0 0 86 -4,-3.1 4,-3.0 -7,-0.6 5,-0.2 0.881 99.0 49.6 -50.9 -49.1 37.7 -32.8 -8.6 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.889 115.3 44.5 -63.3 -34.7 38.8 -35.0 -11.6 87 87 A V H >> S+ 0 0 8 -4,-0.5 4,-0.8 -3,-0.4 3,-0.6 0.952 113.9 49.2 -72.2 -47.6 39.6 -31.9 -13.7 88 88 A Y H >< S+ 0 0 28 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.922 110.8 49.9 -55.1 -47.2 41.3 -30.1 -10.8 89 89 A D H 3< S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 105.0 59.2 -69.9 -21.4 43.5 -33.2 -10.1 90 90 A S H << S+ 0 0 36 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.682 94.6 87.0 -74.4 -20.7 44.4 -33.4 -13.8 91 91 A L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.448 80.3-114.9 -83.7 153.7 45.9 -29.9 -13.7 92 92 A D > - 0 0 53 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.340 44.0 -95.1 -68.8 166.9 49.4 -28.7 -12.8 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.822 122.3 51.8 -62.2 -36.4 49.7 -26.4 -9.7 94 94 A V H >> S+ 0 0 30 2,-0.2 4,-1.2 1,-0.2 3,-0.6 0.964 112.0 45.4 -67.2 -50.5 49.6 -23.1 -11.6 95 95 A R H 3> S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.852 105.8 61.7 -61.2 -32.5 46.4 -24.0 -13.5 96 96 A R H 3X S+ 0 0 80 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 99.6 56.6 -58.0 -35.4 44.9 -25.3 -10.2 97 97 A C H 4 S+ 0 0 131 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.878 105.3 62.2 -62.1 -38.0 26.9 -23.2 -8.7 110 110 A G H 3< S+ 0 0 27 -4,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.831 105.9 43.6 -54.3 -36.1 28.6 -20.4 -10.5 111 111 A V T >< S+ 0 0 6 -4,-1.0 3,-1.6 -3,-0.4 -1,-0.3 0.328 81.5 101.8 -98.2 9.7 30.7 -22.9 -12.5 112 112 A A G X S+ 0 0 67 -3,-1.6 3,-0.6 1,-0.3 -1,-0.2 0.815 80.0 55.1 -61.8 -32.3 27.9 -25.4 -13.3 113 113 A G G 3 S+ 0 0 70 -3,-0.4 3,-0.5 -4,-0.3 -1,-0.3 0.514 87.0 83.8 -78.3 -4.3 27.7 -24.0 -16.9 114 114 A F G <> + 0 0 20 -3,-1.6 4,-3.2 1,-0.2 3,-0.2 0.240 49.2 121.3 -87.9 17.9 31.4 -24.6 -17.5 115 115 A T H <> S+ 0 0 85 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.827 76.5 46.1 -45.6 -45.6 31.0 -28.3 -18.5 116 116 A N H > S+ 0 0 79 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.892 113.3 48.4 -72.0 -40.6 32.5 -27.8 -22.0 117 117 A S H > S+ 0 0 2 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.916 109.6 55.0 -58.9 -46.8 35.5 -25.8 -20.6 118 118 A L H X S+ 0 0 34 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.924 108.6 46.9 -53.8 -47.4 36.0 -28.5 -18.0 119 119 A R H X S+ 0 0 118 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.932 112.8 49.1 -62.7 -46.2 36.2 -31.2 -20.6 120 120 A M H <>S+ 0 0 33 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.885 111.8 49.5 -60.7 -37.6 38.6 -29.2 -22.7 121 121 A L H ><5S+ 0 0 5 -4,-2.7 3,-1.4 2,-0.2 -2,-0.2 0.928 109.9 49.8 -67.9 -42.3 40.8 -28.4 -19.6 122 122 A Q H 3<5S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.0 50.9 -64.3 -34.2 40.9 -32.1 -18.7 123 123 A Q T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.529 111.3-126.1 -74.8 -9.1 41.9 -32.9 -22.3 124 124 A K T < 5 + 0 0 96 -3,-1.4 2,-1.5 -4,-0.3 -3,-0.2 0.794 59.3 148.6 61.0 32.5 44.7 -30.2 -22.0 125 125 A R >< + 0 0 124 -5,-2.5 4,-2.8 1,-0.2 5,-0.2 -0.661 22.5 176.4 -89.5 76.8 43.3 -28.5 -25.1 126 126 A W H > + 0 0 51 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.846 68.1 43.6 -64.7 -42.3 44.5 -25.2 -23.7 127 127 A D H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 116.5 48.0 -68.7 -42.9 43.7 -22.8 -26.5 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.8 50.0 -61.1 -42.7 40.3 -24.3 -27.1 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-3.1 -9,-0.2 -2,-0.2 0.933 109.6 52.4 -59.5 -47.9 39.6 -24.2 -23.4 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.899 109.7 48.2 -57.0 -45.2 40.6 -20.6 -23.3 131 131 A V H X S+ 0 0 87 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.926 113.7 47.0 -61.6 -44.2 38.3 -19.7 -26.1 132 132 A N H >< S+ 0 0 40 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.918 106.2 57.9 -66.9 -40.1 35.4 -21.5 -24.5 133 133 A L H 3< S+ 0 0 1 -4,-3.1 6,-0.4 1,-0.3 -1,-0.2 0.814 102.3 55.6 -58.8 -31.5 36.0 -19.9 -21.1 134 134 A A H 3< S+ 0 0 32 -4,-1.2 2,-1.6 -3,-0.4 -1,-0.3 0.614 85.8 82.5 -81.3 -13.3 35.6 -16.4 -22.6 135 135 A K S << S+ 0 0 159 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.560 81.2 98.8 -86.6 68.6 32.1 -17.2 -24.0 136 136 A S S > S- 0 0 19 -2,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.993 85.3-118.7-155.3 152.2 30.5 -16.5 -20.6 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.925 116.2 62.5 -56.1 -41.7 28.7 -14.0 -18.5 138 138 A W H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.923 106.4 41.1 -48.8 -55.6 31.7 -14.3 -16.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.918 115.7 50.0 -61.1 -48.0 34.1 -13.0 -18.9 140 140 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.7 42.7 -63.9 -33.5 31.7 -10.2 -20.1 141 141 A Q H < S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 132.7 20.7 -84.1 -34.4 31.0 -8.9 -16.6 142 142 A T S X S+ 0 0 19 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 -0.542 74.8 158.3-130.5 67.4 34.6 -9.0 -15.3 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.857 70.0 51.4 -64.7 -37.3 36.7 -9.1 -18.5 144 144 A D H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.947 116.9 39.6 -69.1 -42.8 40.0 -7.8 -17.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 116.0 51.4 -67.9 -44.1 40.1 -10.3 -14.3 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.905 106.0 55.7 -61.9 -39.6 38.7 -13.1 -16.5 147 147 A K H X S+ 0 0 109 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.914 109.2 48.0 -58.2 -40.7 41.4 -12.4 -19.1 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.9 2,-0.2 12,-0.2 0.945 114.0 44.5 -64.5 -48.2 44.0 -12.9 -16.3 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.924 114.3 50.4 -65.3 -41.3 42.5 -16.2 -15.1 150 150 A I H X S+ 0 0 15 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.915 107.6 52.4 -62.8 -44.9 42.1 -17.4 -18.6 151 151 A T H X S+ 0 0 38 -4,-2.6 4,-2.3 -5,-0.2 6,-0.4 0.893 108.7 52.3 -55.4 -40.8 45.7 -16.6 -19.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.936 111.8 44.9 -62.4 -45.9 46.7 -18.7 -16.4 153 153 A F H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.4 49.0 -62.1 -37.6 44.6 -21.6 -17.6 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.872 126.3 21.4 -72.5 -36.9 45.9 -21.3 -21.2 155 155 A T H < S- 0 0 39 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.645 83.8-134.2-108.8 -22.5 49.7 -21.1 -20.3 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.774 74.3 107.2 60.3 27.2 50.2 -22.6 -16.9 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.809 79.2-123.1-123.9 170.6 52.4 -19.6 -16.1 158 158 A W > + 0 0 58 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 0.089 69.6 123.0 -98.5 22.7 51.9 -16.5 -14.0 159 159 A D G > + 0 0 125 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.827 68.7 57.6 -57.6 -33.9 52.5 -14.1 -16.9 160 160 A A G 3 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.624 107.1 49.2 -73.8 -10.7 49.1 -12.3 -16.4 161 161 A Y G < 0 0 4 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.328 360.0 360.0-114.2 6.2 50.0 -11.4 -12.8 162 162 A K < 0 0 208 -3,-1.0 -3,-0.1 -4,-0.4 -2,-0.1 0.972 360.0 360.0 55.8 360.0 53.5 -9.9 -13.5