==== 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 3HTD . 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) . 9092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.8 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 6.1 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 . 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 1 1 1 0 1 2 0 0 1 1 0 0 0 0 0 1 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.4 -17.4 -1.8 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.914 360.0 -80.6-155.2 177.1 -20.6 -0.9 10.8 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 126.0 51.2 -58.3 -36.6 -22.7 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 113.5 43.2 -66.9 -46.3 -20.6 3.6 14.1 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.884 114.7 52.5 -64.8 -36.5 -17.3 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.959 113.2 41.0 -65.3 -53.1 -18.9 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.827 109.7 60.0 -67.0 -31.2 -20.3 7.8 10.8 8 8 A R H X S+ 0 0 102 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.916 108.4 45.4 -61.8 -39.6 -17.0 8.1 12.8 9 9 A I H < S+ 0 0 75 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.942 118.2 42.7 -64.5 -46.6 -15.2 8.4 9.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.815 125.1 31.9 -73.6 -31.3 -17.7 10.8 8.0 11 11 A E H < S- 0 0 41 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.658 92.0-152.6-100.9 -20.9 -18.1 13.0 11.1 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.161 23.4 -90.1 71.2-173.4 -14.7 12.9 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.945 44.3 167.7-140.6 117.9 -14.2 13.4 16.4 14 14 A R E -A 28 0A 146 14,-1.9 14,-2.5 -2,-0.4 4,-0.1 -1.000 21.3-160.4-132.7 133.1 -13.5 16.8 18.0 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.548 73.4 63.9 -93.8 -8.1 -13.7 17.4 21.7 16 16 A K E S-C 57 0B 144 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.874 101.5 -85.2-112.9 150.3 -14.1 21.2 21.7 17 17 A I E + 0 0 31 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.250 58.8 168.3 -52.3 131.9 -17.1 23.0 20.2 18 18 A Y E -A 26 0A 28 8,-2.7 8,-3.1 -4,-0.1 2,-0.5 -0.894 37.5-103.5-138.7 167.8 -16.6 23.5 16.5 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.848 35.0-136.4 -97.7 132.1 -18.7 24.6 13.6 20 20 A D > - 0 0 44 4,-2.8 3,-2.0 -2,-0.5 -1,-0.1 0.033 42.4 -77.6 -72.7-172.4 -20.0 21.9 11.2 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.730 135.1 50.2 -64.4 -22.1 -20.0 22.1 7.4 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.361 123.4-103.7 -95.1 2.5 -23.1 24.4 7.6 23 23 A G S < S+ 0 0 39 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.604 75.5 140.3 86.1 14.3 -21.5 26.7 10.2 24 24 A Y - 0 0 77 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.753 60.7-101.7 -97.7 137.2 -23.5 25.3 13.1 25 25 A Y E +A 19 0A 33 9,-0.4 8,-2.7 11,-0.4 9,-1.4 -0.314 55.2 159.4 -59.3 130.5 -22.1 24.7 16.6 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.7 6,-0.3 2,-0.3 -0.885 20.3-165.8-148.2 160.8 -21.3 21.0 17.1 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.4 -2,-0.3 2,-0.2 -0.982 51.9 2.1-151.3 163.1 -19.2 18.8 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.9 -2,-0.3 2,-0.9 -0.419 124.0 -6.0 70.7-129.5 -17.9 15.2 19.4 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.719 129.2 -52.7-104.5 72.7 -18.9 12.9 16.5 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.799 81.9 163.8 64.9 32.3 -21.2 15.3 14.7 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.9 -20,-0.1 2,-0.3 -0.722 31.8-142.5 -82.7 104.4 -23.4 16.1 17.7 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.495 20.0-176.7 -65.9 127.1 -25.3 19.2 16.6 33 33 A L - 0 0 11 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.879 59.6 -34.8 -91.3 -47.3 -25.7 21.6 19.5 34 34 A T - 0 0 32 -9,-1.4 -9,-0.4 2,-0.1 -1,-0.4 -0.963 34.3-130.8-168.8 156.5 -27.8 24.3 18.0 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.476 76.3 114.4 -91.6 -3.7 -28.3 26.3 14.7 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.413 68.2-140.5 -63.2 135.0 -28.1 29.5 16.8 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.493 75.8 105.1 -74.3 -0.9 -25.1 31.7 16.0 38 38 A D > - 0 0 78 1,-0.2 4,-1.7 2,-0.0 3,-0.4 -0.732 58.0-161.7 -85.7 111.7 -24.8 32.4 19.7 39 39 A L H > S+ 0 0 66 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.836 91.7 57.8 -59.1 -36.1 -21.9 30.4 21.2 40 40 A N H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 104.5 50.7 -63.4 -37.7 -23.3 30.8 24.7 41 41 A A H > S+ 0 0 32 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.880 110.6 50.3 -65.1 -38.2 -26.5 29.1 23.6 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.912 109.2 50.6 -65.0 -42.7 -24.4 26.3 22.2 43 43 A K H X S+ 0 0 72 -4,-2.6 4,-2.7 2,-0.2 11,-0.3 0.882 109.7 51.1 -63.0 -38.8 -22.5 26.0 25.5 44 44 A S H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 110.1 48.9 -64.0 -45.7 -25.8 25.8 27.3 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 111.3 51.3 -59.0 -40.9 -27.0 23.1 25.0 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.957 110.2 47.0 -60.7 -51.8 -23.7 21.2 25.6 47 47 A D H X>S+ 0 0 35 -4,-2.7 4,-2.5 1,-0.2 5,-0.9 0.879 112.6 50.7 -59.1 -38.9 -24.0 21.4 29.3 48 48 A K H <5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.1 47.4 -64.6 -40.8 -27.6 20.3 29.2 49 49 A A H <5S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.858 120.8 35.5 -70.4 -36.4 -26.6 17.3 27.0 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.747 102.3-126.4 -90.9 -28.6 -23.7 16.2 29.1 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.721 77.5 68.5 87.3 22.5 -25.1 17.0 32.5 52 52 A R S - 0 0 8 -2,-1.0 3,-1.4 -11,-0.3 -1,-0.2 0.645 30.2-144.6 -92.6 -18.9 -18.3 21.6 30.3 55 55 A N T 3 S- 0 0 123 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.896 74.2 -52.3 46.2 46.1 -17.1 25.1 29.3 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.536 120.2 96.1 78.8 8.9 -17.1 24.0 25.6 57 57 A V B < +C 16 0B 66 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.994 43.9 177.3-136.2 136.5 -15.0 20.9 26.1 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.815 27.8-108.6-127.8 172.0 -15.9 17.2 26.5 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.529 32.8-108.0 -94.3 166.5 -14.1 13.9 26.9 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 121.5 52.9 -59.4 -43.5 -13.9 11.1 24.3 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 109.7 48.7 -59.1 -43.4 -16.2 8.9 26.4 62 62 A E H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 110.8 50.5 -63.1 -42.9 -18.7 11.8 26.6 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.915 111.3 48.3 -58.9 -44.0 -18.5 12.2 22.8 64 64 A E H X S+ 0 0 79 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.848 108.5 54.8 -67.9 -32.6 -19.0 8.5 22.3 65 65 A K H X S+ 0 0 136 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.948 110.3 44.9 -65.7 -46.9 -22.0 8.6 24.7 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.902 111.6 54.8 -59.6 -41.3 -23.7 11.4 22.7 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.936 107.3 49.0 -59.0 -47.4 -22.8 9.5 19.5 68 68 A N H X S+ 0 0 87 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.921 114.0 46.5 -57.5 -47.0 -24.6 6.3 20.8 69 69 A Q H X S+ 0 0 103 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.922 113.6 48.8 -61.4 -43.0 -27.6 8.3 21.7 70 70 A D H X S+ 0 0 35 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.901 112.0 46.9 -67.8 -43.3 -27.6 10.2 18.3 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.943 114.7 47.7 -61.6 -48.4 -27.3 7.0 16.2 72 72 A D H X S+ 0 0 96 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.936 111.9 48.6 -59.0 -48.9 -30.0 5.2 18.2 73 73 A A H X S+ 0 0 58 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.855 108.6 55.3 -61.7 -34.6 -32.4 8.2 18.0 74 74 A A H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.938 111.4 43.0 -63.0 -47.5 -31.8 8.5 14.2 75 75 A V H X S+ 0 0 29 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.946 113.8 50.6 -63.4 -47.0 -32.8 4.8 13.7 76 76 A R H X S+ 0 0 133 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.860 109.4 52.8 -61.7 -34.9 -35.8 5.1 16.0 77 77 A G H X S+ 0 0 4 -4,-2.2 4,-0.5 -5,-0.2 3,-0.5 0.934 107.7 50.0 -62.9 -48.1 -36.9 8.2 14.1 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 7,-0.5 0.926 108.7 54.2 -53.9 -46.2 -36.7 6.4 10.8 79 79 A L H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 110.4 44.6 -65.9 -27.6 -38.8 3.6 12.3 80 80 A R H 3< S+ 0 0 177 -4,-1.3 2,-0.7 -3,-0.5 -1,-0.3 0.411 92.4 96.0 -97.3 4.6 -41.6 6.0 13.4 81 81 A N S+ 0 0 14 -3,-0.4 4,-3.0 -6,-0.2 5,-0.2 0.830 102.5 68.5 -91.6 -35.4 -39.0 6.3 5.7 85 85 A K H X S+ 0 0 93 -4,-3.0 4,-3.3 -7,-0.5 5,-0.3 0.905 98.4 48.9 -57.1 -49.5 -39.8 3.1 7.5 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.901 115.8 44.6 -61.5 -35.9 -41.1 1.0 4.6 87 87 A V H > S+ 0 0 10 -4,-0.4 4,-0.8 2,-0.2 3,-0.4 0.953 114.7 48.8 -69.4 -47.3 -38.0 2.0 2.5 88 88 A Y H >< S+ 0 0 28 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.931 111.6 48.7 -55.9 -49.4 -35.7 1.4 5.4 89 89 A D H 3< S+ 0 0 76 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.758 104.7 60.6 -66.7 -22.1 -37.2 -2.0 6.1 90 90 A S H 3< S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.675 94.2 87.9 -73.3 -19.5 -37.0 -3.0 2.4 91 91 A L S << S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.446 79.3-115.3 -85.5 154.4 -33.2 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.321 44.1 -95.0 -71.9 167.7 -30.4 -5.0 3.4 93 93 A A H > S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.823 122.2 50.3 -62.3 -35.8 -28.2 -4.2 6.5 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.3 62,-0.2 3,-0.5 0.952 112.3 46.1 -70.2 -46.9 -25.4 -2.3 4.6 95 95 A R H 3> S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.860 105.6 61.6 -63.2 -33.7 -27.8 -0.1 2.7 96 96 A R H 3X S+ 0 0 79 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 100.4 55.5 -56.5 -37.0 -29.7 0.6 6.0 97 97 A C H S+ 0 0 70 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.861 136.4 57.5 -63.6 -35.1 -35.7 13.7 8.6 109 109 A T H >4 S+ 0 0 134 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.908 106.4 49.7 -58.3 -44.2 -36.6 17.2 7.3 110 110 A G H >< S+ 0 0 24 -4,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.844 107.6 53.0 -63.1 -35.8 -33.5 17.0 5.0 111 111 A V H >< S+ 0 0 8 -4,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.630 87.0 87.1 -77.7 -11.6 -34.6 13.6 3.7 112 112 A A G X< S+ 0 0 66 -4,-0.8 3,-0.7 -3,-0.7 -1,-0.2 0.802 84.7 53.5 -58.1 -33.9 -38.1 15.0 2.9 113 113 A G G < S+ 0 0 72 -3,-0.8 3,-0.4 -4,-0.4 -1,-0.3 0.498 91.9 78.1 -80.3 -1.2 -36.9 16.2 -0.5 114 114 A F G <> + 0 0 18 -3,-2.0 4,-2.9 1,-0.2 3,-0.3 0.181 51.5 123.1 -96.8 20.9 -35.6 12.7 -1.4 115 115 A T H <> S+ 0 0 87 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.865 76.9 46.4 -46.7 -48.3 -39.0 11.1 -2.2 116 116 A N H > S+ 0 0 82 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.882 113.2 48.7 -68.0 -37.9 -38.0 10.1 -5.7 117 117 A S H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.919 110.4 52.9 -64.1 -44.5 -34.7 8.6 -4.5 118 118 A L H X S+ 0 0 29 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.890 107.2 51.1 -56.6 -45.6 -36.6 6.7 -1.8 119 119 A R H X S+ 0 0 119 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.931 110.8 48.3 -60.5 -46.4 -38.9 5.2 -4.3 120 120 A M H <>S+ 0 0 27 -4,-1.9 5,-2.6 2,-0.2 4,-0.3 0.891 110.7 51.5 -62.5 -37.3 -36.0 4.0 -6.5 121 121 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.926 109.5 49.2 -64.7 -44.1 -34.3 2.5 -3.4 122 122 A Q H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 111.0 50.6 -64.4 -33.8 -37.4 0.6 -2.5 123 123 A Q T 3<5S- 0 0 83 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.525 111.4-126.3 -76.4 -7.5 -37.6 -0.6 -6.1 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.3 -4,-0.3 -3,-0.2 0.835 59.5 148.6 60.1 34.8 -34.0 -1.7 -5.8 125 125 A R >< + 0 0 121 -5,-2.6 4,-2.9 1,-0.2 -1,-0.2 -0.701 21.9 174.9 -92.9 76.5 -33.1 0.3 -8.9 126 126 A W H > + 0 0 50 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.866 67.4 44.0 -65.3 -43.3 -29.7 0.9 -7.5 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 116.9 48.1 -68.5 -39.2 -27.9 2.8 -10.3 128 128 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.911 111.7 49.9 -64.4 -43.6 -31.0 5.0 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.9 4,-2.9 -9,-0.2 -1,-0.2 0.924 109.7 51.6 -59.1 -45.9 -31.3 5.7 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.907 110.0 48.7 -60.3 -42.2 -27.6 6.6 -7.0 131 131 A V H X S+ 0 0 92 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.941 113.9 46.9 -62.3 -43.8 -28.0 9.0 -10.0 132 132 A N H >< S+ 0 0 31 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.900 106.2 57.5 -68.7 -37.5 -31.0 10.6 -8.4 133 133 A L H 3< S+ 0 0 1 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.839 102.4 56.0 -61.1 -33.1 -29.4 11.0 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.4 2,-2.0 -3,-0.3 -1,-0.3 0.647 84.9 83.7 -77.6 -15.5 -26.5 13.0 -6.4 135 135 A K S << S+ 0 0 156 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.508 81.8 98.5 -83.0 69.5 -29.0 15.6 -7.9 136 136 A S S > S- 0 0 17 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.997 85.8-117.9-157.6 151.1 -29.1 17.4 -4.6 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.918 115.6 61.8 -54.0 -44.2 -27.9 20.2 -2.4 138 138 A W H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.925 106.3 42.0 -47.8 -54.5 -26.5 17.5 -0.2 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.4 49.8 -67.4 -37.3 -24.2 16.1 -2.8 140 140 A N H < S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 116.1 41.4 -69.8 -33.0 -23.1 19.6 -4.0 141 141 A Q H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 133.4 19.9 -84.4 -37.5 -22.3 20.8 -0.5 142 142 A T S X S+ 0 0 20 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.578 74.9 157.8-128.7 68.9 -20.6 17.7 0.8 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.874 69.8 52.3 -66.2 -38.1 -19.6 15.7 -2.4 144 144 A D H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.945 116.8 39.2 -67.5 -42.0 -16.9 13.5 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 115.5 51.9 -68.4 -45.6 -19.1 12.3 1.8 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.900 105.8 56.0 -59.7 -39.3 -22.2 12.0 -0.3 147 147 A K H X S+ 0 0 94 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.903 108.8 47.6 -58.3 -40.7 -20.2 10.0 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.4 4,-1.8 2,-0.2 12,-0.2 0.939 114.4 44.9 -66.2 -45.4 -19.4 7.5 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 114.1 50.1 -66.2 -42.5 -22.9 7.2 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.907 107.9 52.5 -62.8 -41.9 -24.3 7.0 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.880 108.5 52.4 -59.8 -37.8 -21.8 4.2 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.925 111.8 44.7 -63.9 -44.8 -23.0 2.3 -0.3 153 153 A F H < S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 115.6 49.1 -62.6 -38.2 -26.6 2.7 -1.5 154 154 A R H < S+ 0 0 109 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.896 126.8 20.8 -69.9 -40.6 -25.6 1.7 -5.0 155 155 A T H < S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.667 83.7-134.5-107.1 -23.3 -23.6 -1.4 -4.1 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.779 74.2 107.4 62.7 25.8 -24.7 -2.6 -0.7 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.812 79.7-122.5-123.8 170.4 -21.0 -3.0 0.1 158 158 A W >> + 0 0 48 -2,-0.3 3,-2.4 1,-0.2 4,-2.2 0.128 69.8 123.8 -97.2 19.6 -18.5 -1.1 2.3 159 159 A D H 3> + 0 0 117 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.811 69.5 55.5 -53.2 -35.6 -16.2 -0.4 -0.7 160 160 A A H 34 S+ 0 0 29 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.609 119.0 32.2 -75.2 -10.7 -16.3 3.4 -0.2 161 161 A Y H <4 S+ 0 0 3 -3,-2.4 -2,-0.2 -13,-0.1 -1,-0.2 0.571 101.6 70.6-118.8 -22.8 -15.2 3.1 3.5 162 162 A K H < 0 0 171 -4,-2.2 -3,-0.1 1,-0.2 -2,-0.1 0.810 360.0 360.0 -68.1 -25.9 -12.9 0.0 3.6 163 163 A N < 0 0 185 -4,-0.7 -1,-0.2 -5,-0.3 -4,-0.1 0.260 360.0 360.0 34.0 360.0 -10.3 2.1 1.7