==== 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 3HTB . 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, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.6 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 . 8 4.9 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 . 86 52.8 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.9 7.0 -15.9 -9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.7 156,-0.0 5,-0.2 -0.893 360.0 -83.3-153.3 174.1 9.4 -18.2 -10.8 3 3 A I H > S+ 0 0 19 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.815 124.9 51.3 -60.8 -33.4 13.2 -18.4 -11.2 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 112.5 44.5 -68.0 -45.0 13.3 -15.8 -14.1 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.881 115.0 51.1 -66.0 -37.7 11.3 -13.3 -12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.951 113.5 41.9 -59.8 -55.1 13.4 -14.0 -9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.848 110.1 58.4 -66.8 -31.8 16.8 -13.6 -10.8 8 8 A R H X S+ 0 0 109 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.885 108.2 46.1 -65.3 -39.7 15.5 -10.5 -12.7 9 9 A I H < S+ 0 0 74 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.960 119.6 41.5 -61.1 -46.4 14.7 -8.8 -9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.817 125.3 32.1 -73.9 -29.6 18.2 -9.9 -8.0 11 11 A E H < S- 0 0 39 -4,-3.0 19,-0.4 1,-0.2 -1,-0.2 0.713 93.3-151.2-107.1 -24.1 20.3 -9.2 -11.1 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.269 22.4 -89.3 73.3-177.5 18.5 -6.2 -12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.942 46.1 165.5-134.2 115.7 18.5 -5.4 -16.4 14 14 A R E -A 28 0A 143 14,-2.0 14,-2.5 -2,-0.4 4,-0.1 -1.000 21.6-162.8-130.0 137.4 21.2 -3.2 -17.9 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.544 72.7 64.3 -98.2 -5.9 21.7 -3.0 -21.6 16 16 A K E S-C 57 0B 149 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.889 101.9 -86.1-117.3 147.6 25.2 -1.5 -21.6 17 17 A I E + 0 0 29 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.198 58.9 170.0 -51.9 131.9 28.3 -3.2 -20.2 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.1 -4,-0.1 2,-0.5 -0.911 37.4-104.1-138.9 166.6 28.5 -2.5 -16.4 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.821 35.7-138.8 -97.1 129.3 30.5 -3.8 -13.5 20 20 A D > - 0 0 44 4,-2.6 3,-2.5 -2,-0.5 -1,-0.1 -0.059 43.5 -74.7 -74.6-173.2 28.8 -6.2 -11.2 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.707 136.5 50.3 -62.0 -24.3 29.0 -6.2 -7.4 22 22 A E T 3 S- 0 0 71 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.408 122.8-104.0 -91.8 1.0 32.5 -7.7 -7.7 23 23 A G S < S+ 0 0 34 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.585 75.4 141.3 84.7 11.6 33.7 -5.1 -10.3 24 24 A Y - 0 0 78 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.765 60.8-103.7-100.0 140.6 33.4 -7.5 -13.2 25 25 A Y E +AB 19 34A 29 9,-0.6 8,-2.6 11,-0.4 9,-1.5 -0.315 54.6 159.6 -63.4 128.8 32.2 -6.6 -16.6 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.7 6,-0.3 2,-0.3 -0.899 19.4-167.0-147.8 156.3 28.6 -7.8 -17.0 27 27 A I E > + B 0 31A 0 4,-2.1 4,-2.4 -2,-0.3 -12,-0.2 -0.960 52.2 2.0-143.9 167.3 25.6 -7.1 -19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.9 -0.333 125.0 -4.2 69.3-129.0 21.9 -7.8 -19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.663 128.7 -54.4-102.6 73.0 20.5 -9.8 -16.6 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.869 82.1 164.3 58.8 40.8 23.7 -10.6 -14.7 31 31 A H E < -B 27 0A 28 -4,-2.4 -4,-2.1 -20,-0.1 2,-0.2 -0.778 31.3-143.5 -91.8 107.4 25.4 -12.0 -17.6 32 32 A L E -B 26 0A 77 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.462 20.5-178.1 -71.0 126.4 29.1 -12.1 -16.6 33 33 A L E - 0 0 12 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.862 59.0 -32.4 -94.0 -43.5 31.3 -11.3 -19.6 34 34 A T E -B 25 0A 32 -9,-1.5 -9,-0.6 2,-0.1 -1,-0.4 -0.961 33.4-131.0-168.7 155.3 34.7 -11.6 -18.0 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.522 74.6 114.8 -84.0 -9.9 36.8 -11.1 -14.9 36 36 A S - 0 0 36 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.334 67.7-140.7 -59.7 137.2 39.4 -9.2 -17.0 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.474 76.5 105.0 -75.2 1.0 39.9 -5.6 -16.1 38 38 A D >> - 0 0 78 1,-0.2 4,-1.7 2,-0.0 3,-0.7 -0.744 59.5-160.0 -88.7 111.8 40.2 -5.0 -19.9 39 39 A L H 3> S+ 0 0 69 -2,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.884 93.8 56.3 -57.7 -36.3 37.0 -3.4 -21.2 40 40 A N H 3> S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.820 101.4 54.7 -65.0 -33.3 38.0 -4.6 -24.6 41 41 A A H <> S+ 0 0 30 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.871 110.5 48.3 -68.4 -36.6 38.2 -8.2 -23.5 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.879 109.9 51.2 -66.6 -40.0 34.6 -7.8 -22.2 43 43 A K H X S+ 0 0 67 -4,-2.4 4,-2.0 2,-0.2 11,-0.3 0.891 109.2 50.1 -65.3 -38.4 33.6 -6.2 -25.5 44 44 A S H X S+ 0 0 71 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 111.8 48.5 -64.6 -44.8 35.1 -9.2 -27.4 45 45 A E H X S+ 0 0 63 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.894 110.6 52.3 -60.6 -41.6 33.2 -11.7 -25.1 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.938 110.6 45.8 -57.5 -52.1 30.0 -9.7 -25.6 47 47 A D H X>S+ 0 0 36 -4,-2.0 4,-2.1 1,-0.2 5,-0.9 0.862 112.9 50.2 -62.4 -40.5 30.3 -9.9 -29.3 48 48 A K H <5S+ 0 0 140 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.910 112.8 48.6 -58.9 -40.8 31.2 -13.6 -29.2 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 119.7 35.7 -70.5 -38.8 28.1 -14.2 -26.9 50 50 A I H <5S- 0 0 35 -4,-2.4 -1,-0.2 2,-0.3 -2,-0.2 0.753 100.5-128.1 -93.0 -22.1 25.7 -12.3 -29.2 51 51 A G T <5S+ 0 0 68 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.680 79.7 74.3 79.4 20.0 27.1 -13.2 -32.6 52 52 A R S - 0 0 9 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.689 30.6-142.9 -93.1 -16.8 27.6 -5.0 -30.3 55 55 A N T 3 S- 0 0 127 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.914 73.4 -53.5 50.4 46.4 29.9 -2.2 -29.3 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.540 120.6 95.9 71.3 13.7 29.1 -2.8 -25.6 57 57 A V B < +C 16 0B 62 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.989 45.1 176.1-138.5 139.4 25.3 -2.5 -26.0 58 58 A I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.877 27.8-105.9-131.9 169.0 22.6 -5.0 -26.5 59 59 A T > - 0 0 69 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.459 32.5-108.9 -87.5 166.0 18.8 -5.2 -26.8 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 122.3 51.9 -58.7 -43.7 16.3 -6.3 -24.2 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 109.7 48.0 -61.5 -43.6 15.6 -9.4 -26.4 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 111.2 52.6 -64.4 -37.6 19.4 -10.2 -26.5 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -34,-0.4 0.949 110.7 45.9 -60.7 -48.1 19.5 -9.7 -22.7 64 64 A E H X S+ 0 0 72 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.845 110.1 55.7 -66.3 -33.4 16.7 -12.2 -22.2 65 65 A K H X S+ 0 0 134 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.961 110.1 42.9 -62.2 -50.6 18.3 -14.6 -24.6 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.890 114.8 53.6 -55.8 -42.1 21.6 -14.7 -22.7 67 67 A F H X S+ 0 0 11 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.939 106.3 50.5 -63.1 -51.6 19.5 -14.9 -19.5 68 68 A N H X S+ 0 0 87 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.931 113.9 45.7 -46.2 -51.9 17.5 -17.9 -20.8 69 69 A Q H X S+ 0 0 99 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.911 112.7 50.9 -62.3 -39.9 20.8 -19.6 -21.6 70 70 A D H X S+ 0 0 36 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.902 112.6 44.6 -66.2 -42.6 22.4 -18.6 -18.2 71 71 A V H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.956 114.6 49.1 -66.2 -50.0 19.4 -20.0 -16.2 72 72 A D H X S+ 0 0 96 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.949 112.9 47.8 -54.3 -52.2 19.3 -23.1 -18.2 73 73 A A H X S+ 0 0 54 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.884 106.6 56.8 -57.9 -39.9 23.1 -23.5 -17.8 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.939 112.4 42.7 -56.8 -42.8 22.9 -22.9 -14.0 75 75 A V H X S+ 0 0 30 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.938 113.6 49.4 -69.4 -48.9 20.3 -25.9 -13.7 76 76 A R H X S+ 0 0 149 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.858 110.7 52.7 -63.3 -34.6 22.2 -28.2 -16.0 77 77 A G H X S+ 0 0 2 -4,-2.7 4,-0.9 -5,-0.2 3,-0.2 0.928 109.1 48.0 -64.5 -45.2 25.3 -27.4 -14.0 78 78 A I H >< S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.2 7,-0.6 0.945 111.3 51.0 -57.5 -47.8 23.7 -28.3 -10.7 79 79 A L H 3< S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.790 109.7 51.3 -64.6 -26.0 22.3 -31.5 -12.2 80 80 A R H 3< S+ 0 0 181 -4,-1.4 2,-0.7 -3,-0.2 -1,-0.3 0.591 93.4 91.3 -82.5 -16.9 25.9 -32.4 -13.5 81 81 A N S+ 0 0 9 -6,-0.2 4,-2.6 -3,-0.2 5,-0.3 0.871 102.8 66.7 -85.8 -42.1 24.8 -30.5 -5.7 85 85 A K H X S+ 0 0 83 -4,-3.2 4,-2.9 -7,-0.6 5,-0.3 0.896 98.6 51.1 -54.8 -47.0 22.3 -32.7 -7.5 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.930 115.6 43.8 -62.9 -31.8 21.3 -34.9 -4.5 87 87 A V H > S+ 0 0 8 -4,-0.5 4,-0.7 -3,-0.3 3,-0.3 0.963 114.9 47.0 -70.8 -48.1 20.5 -31.7 -2.5 88 88 A Y H >< S+ 0 0 28 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.921 110.9 52.9 -60.3 -43.0 18.7 -29.9 -5.2 89 89 A D H 3< S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 104.8 56.7 -69.0 -23.2 16.7 -33.0 -6.1 90 90 A S H 3< S+ 0 0 34 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.679 94.6 89.3 -75.0 -19.3 15.7 -33.2 -2.4 91 91 A L S << S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.7 31,-0.0 -0.415 79.0-119.1 -81.8 148.6 14.2 -29.7 -2.5 92 92 A D > - 0 0 55 -2,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.363 44.8 -93.1 -67.8 173.1 10.7 -28.6 -3.4 93 93 A A H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.781 122.8 52.2 -72.0 -29.0 10.5 -26.3 -6.4 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.4 62,-0.2 3,-0.7 0.978 113.2 44.4 -71.7 -48.6 10.6 -22.9 -4.5 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.855 107.5 60.3 -64.4 -34.2 13.8 -23.9 -2.6 96 96 A R H 3X S+ 0 0 79 -4,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.867 101.3 55.1 -56.7 -35.4 15.2 -25.3 -6.0 97 97 A C H S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.797 129.9 53.8 -73.1 -22.8 28.8 -24.0 -8.9 109 109 A T H > S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.989 102.5 62.2 -58.8 -63.6 32.4 -24.0 -7.6 110 110 A G H < S+ 0 0 28 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.567 119.9 19.7 -30.1 -28.0 31.4 -21.1 -5.3 111 111 A V H >< S+ 0 0 4 -4,-0.6 3,-1.9 -3,-0.5 -1,-0.2 0.594 99.6 80.6-128.9 -23.2 28.8 -23.3 -3.5 112 112 A A H 3< S+ 0 0 20 -4,-2.0 -2,-0.1 -3,-0.3 -3,-0.1 0.799 95.5 61.3 -57.1 -23.3 29.5 -27.0 -4.0 113 113 A G T 3< S+ 0 0 53 -4,-1.2 2,-3.2 1,-0.2 -1,-0.3 0.750 74.5 94.6 -70.8 -26.5 32.0 -26.1 -1.3 114 114 A F <> + 0 0 44 -3,-1.9 4,-2.7 1,-0.2 3,-0.3 -0.200 49.9 160.1 -67.6 53.6 29.1 -25.1 1.2 115 115 A T H > + 0 0 87 -2,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.837 65.4 46.8 -48.3 -51.1 29.2 -28.6 2.7 116 116 A N H > S+ 0 0 81 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.897 113.7 47.4 -67.7 -38.9 27.5 -27.8 6.0 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.895 112.0 51.9 -64.9 -42.0 24.7 -25.8 4.4 118 118 A L H X S+ 0 0 26 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.939 109.9 48.0 -58.7 -51.0 24.1 -28.6 1.8 119 119 A R H X S+ 0 0 114 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.958 113.6 48.2 -56.2 -46.1 23.9 -31.2 4.5 120 120 A M H <>S+ 0 0 29 -4,-2.3 5,-2.6 1,-0.2 4,-0.4 0.901 112.2 47.6 -66.1 -36.4 21.4 -29.1 6.5 121 121 A L H ><5S+ 0 0 7 -4,-2.4 3,-1.4 2,-0.2 -1,-0.2 0.939 111.5 50.6 -67.4 -43.2 19.3 -28.4 3.4 122 122 A Q H 3<5S+ 0 0 94 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.880 112.1 47.7 -61.0 -39.5 19.3 -32.0 2.5 123 123 A Q T 3<5S- 0 0 79 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.523 111.4-127.3 -73.1 -11.5 18.2 -32.8 6.1 124 124 A K T < 5 + 0 0 96 -3,-1.4 2,-1.5 -4,-0.4 -3,-0.2 0.760 57.9 149.4 61.1 30.9 15.6 -30.0 5.8 125 125 A R >< + 0 0 117 -5,-2.6 4,-2.9 1,-0.2 5,-0.2 -0.712 22.3 176.0 -84.2 78.6 16.8 -28.3 9.0 126 126 A W H > + 0 0 47 -2,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.876 67.5 45.9 -66.0 -45.9 15.7 -25.1 7.4 127 127 A D H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 116.4 46.5 -65.4 -41.9 16.4 -22.7 10.3 128 128 A E H > S+ 0 0 100 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.890 112.4 49.7 -62.3 -46.9 19.8 -24.2 10.9 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 -9,-0.2 -2,-0.2 0.926 110.5 51.8 -54.6 -50.4 20.6 -24.1 7.1 130 130 A A H X S+ 0 0 11 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.912 110.5 47.4 -57.5 -45.3 19.5 -20.5 7.0 131 131 A V H >X S+ 0 0 85 -4,-2.4 4,-0.8 1,-0.2 3,-0.6 0.947 114.4 47.5 -57.5 -47.6 21.8 -19.6 10.0 132 132 A N H >< S+ 0 0 40 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.918 106.6 56.6 -62.2 -42.2 24.7 -21.5 8.3 133 133 A L H 3< S+ 0 0 1 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.800 102.7 55.5 -58.4 -34.3 24.2 -19.8 4.9 134 134 A A H << S+ 0 0 32 -4,-1.2 2,-2.0 -3,-0.6 -1,-0.3 0.684 86.5 82.2 -77.4 -21.6 24.5 -16.3 6.4 135 135 A K S << S+ 0 0 156 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 -0.446 81.7 97.5 -73.5 61.5 27.9 -17.2 7.8 136 136 A S S > S- 0 0 19 -2,-2.0 4,-2.1 1,-0.1 5,-0.1 -0.983 85.0-119.7-153.9 153.6 29.6 -16.5 4.5 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.919 116.4 63.7 -57.7 -39.4 31.5 -13.9 2.3 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.907 105.8 39.6 -46.2 -60.4 28.4 -14.3 0.1 139 139 A Y H 4 S+ 0 0 49 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.6 50.2 -61.0 -44.0 26.0 -12.9 2.7 140 140 A N H < S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.870 114.2 44.0 -70.1 -30.8 28.4 -10.2 3.9 141 141 A Q H < S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 133.1 18.2 -81.0 -40.0 29.1 -8.9 0.4 142 142 A T S X S+ 0 0 18 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.3 -0.593 75.7 157.9-127.8 68.5 25.5 -9.0 -0.9 143 143 A P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 70.5 53.0 -67.4 -34.7 23.4 -9.1 2.3 144 144 A D H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.962 117.5 37.9 -68.3 -43.7 20.2 -7.8 0.9 145 145 A R H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 116.6 50.5 -66.6 -48.4 20.1 -10.3 -1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.2 -1,-0.2 0.860 107.4 56.1 -60.4 -39.8 21.5 -13.2 0.2 147 147 A K H X S+ 0 0 105 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.921 109.1 47.0 -56.7 -47.3 18.8 -12.4 2.9 148 148 A R H X S+ 0 0 70 -4,-1.8 4,-1.6 2,-0.2 12,-0.2 0.920 115.4 44.3 -60.7 -43.4 16.1 -12.8 0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 114.2 50.0 -75.6 -40.1 17.6 -16.1 -1.1 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.905 108.4 52.2 -59.3 -43.6 18.1 -17.4 2.4 151 151 A T H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 6,-0.4 0.883 108.1 52.8 -60.4 -36.0 14.5 -16.6 3.3 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.920 112.4 44.3 -63.3 -52.0 13.5 -18.6 0.2 153 153 A F H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 115.0 49.5 -54.8 -39.5 15.6 -21.6 1.5 154 154 A R H < S+ 0 0 103 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.896 127.7 19.4 -73.5 -36.1 14.3 -21.2 5.0 155 155 A T H < S- 0 0 34 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.621 83.9-135.7-109.8 -20.7 10.5 -21.0 4.2 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.2 1,-0.3 -62,-0.2 0.769 72.8 112.1 58.1 29.2 10.2 -22.5 0.7 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.753 78.3-123.8-120.3 172.2 7.9 -19.5 0.1 158 158 A W S >> S+ 0 0 50 -2,-0.2 3,-2.0 1,-0.2 4,-1.2 0.040 70.6 123.2-103.1 22.0 8.2 -16.4 -2.1 159 159 A D G >4 + 0 0 82 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.880 68.6 55.4 -56.9 -35.0 7.8 -14.1 0.8 160 160 A A G 34 S+ 0 0 27 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.594 120.4 30.4 -77.8 -6.4 11.1 -12.3 0.3 161 161 A Y G <4 S+ 0 0 3 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.474 99.5 79.5-120.1 -6.4 10.2 -11.4 -3.3 162 162 A K << 0 0 151 -4,-1.2 -2,-0.1 -3,-0.6 -3,-0.1 0.691 360.0 360.0 -71.0 -26.7 6.4 -11.1 -3.4 163 163 A N 0 0 168 -4,-0.3 -3,-0.1 -5,-0.1 -1,-0.1 0.016 360.0 360.0-125.8 360.0 7.0 -8.3 -2.2