==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-03 1OWZ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.Q.WEI,W.A.BAASE,L.H.WEAVER,B.W.MATTHEWS,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 0 1 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 86 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.0 43.3 -1.9 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.4 1,-0.0 5,-0.2 -0.889 360.0 -84.8-148.8 175.6 40.2 -0.8 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.845 121.9 53.0 -52.7 -42.7 38.2 2.4 11.4 4 4 A F H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 111.4 41.7 -64.2 -49.2 40.4 3.7 14.1 5 5 A E H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 115.2 54.2 -65.8 -36.9 43.7 3.5 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 111.9 41.8 -62.1 -46.3 42.0 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.867 109.8 58.4 -70.7 -33.7 40.7 7.8 11.0 8 8 A R H X S+ 0 0 108 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.882 106.7 48.7 -64.3 -33.0 43.9 8.3 12.8 9 9 A I H < S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.927 115.8 43.6 -67.7 -46.3 45.6 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.849 124.9 30.1 -72.7 -32.8 43.1 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.9 19,-0.3 1,-0.1 -1,-0.2 0.690 92.1-151.6 -99.9 -20.9 42.7 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.194 23.4 -86.6 74.5-172.1 46.1 13.1 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 44.2 167.5-141.2 120.2 46.7 13.6 16.5 14 14 A R E -A 28 0A 130 14,-1.9 14,-2.1 -2,-0.4 4,-0.1 -1.000 22.4-161.0-134.4 134.2 47.2 16.9 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.7 12,-0.2 2,-0.4 0.362 73.5 64.1 -94.6 0.6 47.2 17.5 22.0 16 16 A K E S-C 57 0B 94 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.952 99.8 -83.9-123.5 148.7 46.7 21.3 21.9 17 17 A I E + 0 0 5 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.122 58.8 174.6 -49.7 134.2 43.7 23.3 20.6 18 18 A Y E -A 26 0A 26 8,-3.4 8,-3.4 -4,-0.1 2,-0.5 -0.895 34.3-106.9-138.0 173.2 44.0 23.7 16.9 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.874 34.6-140.7 -99.8 131.0 42.2 25.1 13.8 20 20 A D > - 0 0 48 4,-2.5 3,-1.8 -2,-0.5 -1,-0.1 -0.073 41.0 -81.5 -77.5-172.2 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.739 135.3 48.9 -63.2 -19.8 40.9 22.8 7.7 22 22 A E T 3 S- 0 0 83 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.470 124.0-104.3 -97.0 -1.4 37.7 25.0 7.9 23 23 A G S < S+ 0 0 32 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.539 74.5 138.6 90.1 16.6 39.3 27.2 10.7 24 24 A Y - 0 0 73 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.689 60.2 -98.3-101.0 147.7 37.4 25.7 13.6 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-4.2 11,-0.5 9,-1.2 -0.303 55.4 155.2 -63.5 127.6 38.6 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.4 -8,-3.4 6,-0.3 2,-0.3 -0.874 19.5-167.7-144.8 168.7 39.4 21.3 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.986 49.1 3.9-155.2 166.6 41.6 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.9 -2,-0.3 2,-0.9 -0.450 122.7 -3.2 66.7-130.7 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.649 128.4 -54.8 -99.0 72.3 41.9 13.1 16.8 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.749 84.6 160.0 67.0 27.9 39.7 15.5 14.8 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-1.7 1,-0.0 -1,-0.2 -0.639 32.9-142.8 -89.3 107.9 37.4 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.380 18.7-175.7 -67.1 136.6 35.6 19.5 16.9 33 33 A L E - 0 0 16 -8,-4.2 2,-0.3 1,-0.4 -7,-0.2 0.874 57.4 -26.4-100.7 -42.6 35.1 21.7 19.8 34 34 A T E -B 25 0A 30 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.4 -0.958 35.9-136.0-165.5 155.4 33.1 24.6 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.678 77.2 101.3 -92.1 -15.3 32.3 26.6 15.4 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.257 74.5-132.6 -64.8 153.0 32.6 29.9 17.1 37 37 A P S S+ 0 0 112 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.450 73.3 109.2 -91.0 4.8 35.7 31.9 16.7 38 38 A S > - 0 0 60 1,-0.2 4,-2.4 2,-0.0 3,-0.5 -0.698 55.2-159.0 -84.1 112.3 36.1 32.6 20.5 39 39 A L H > S+ 0 0 56 -2,-0.8 4,-2.3 1,-0.3 5,-0.2 0.795 94.8 56.0 -57.4 -29.1 39.1 30.6 21.7 40 40 A N H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.897 102.2 53.6 -74.4 -33.3 37.7 30.9 25.2 41 41 A A H > S+ 0 0 33 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.950 110.5 50.3 -60.6 -45.2 34.5 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.917 108.3 49.2 -59.0 -42.9 36.6 26.6 22.8 43 43 A K H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 11,-0.3 0.903 110.1 53.8 -67.6 -33.8 38.5 26.1 26.0 44 44 A S H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.955 108.6 47.0 -64.6 -48.4 35.3 26.0 27.8 45 45 A E H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.896 110.7 55.2 -58.0 -43.7 33.9 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.3 0.922 108.5 45.3 -55.8 -51.7 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 33 -4,-2.4 4,-3.2 1,-0.2 5,-1.3 0.919 112.4 53.8 -59.6 -40.9 37.0 21.4 29.9 48 48 A K H <5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 111.3 44.1 -61.0 -45.6 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 121.9 38.0 -70.8 -31.1 34.2 17.4 27.5 50 50 A I H <5S- 0 0 35 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.750 102.3-126.9 -94.0 -24.7 37.1 16.3 29.5 51 51 A G T <5S+ 0 0 66 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.806 76.1 67.9 86.6 28.2 35.8 17.1 32.9 52 52 A R S - 0 0 10 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.764 31.3-146.0 -89.3 -34.4 42.6 21.8 30.6 55 55 A N T 3 S- 0 0 129 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.966 74.2 -53.5 63.3 43.8 43.8 25.1 29.7 56 56 A G T 3 S+ 0 0 1 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.544 119.5 94.9 71.9 2.7 43.7 24.0 26.0 57 57 A V B < +C 16 0B 73 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.969 45.7 176.8-129.4 143.7 45.8 20.9 26.4 58 58 A I - 0 0 4 -43,-2.7 2,-0.2 -2,-0.4 -30,-0.1 -0.832 27.2-106.0-133.7 176.5 45.0 17.3 26.9 59 59 A T > - 0 0 60 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.523 31.6-108.6 -97.4 170.4 46.7 14.0 27.2 60 60 A K H > S+ 0 0 116 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 119.8 49.5 -63.9 -42.1 47.0 11.1 24.7 61 61 A D H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.856 111.5 49.9 -64.9 -39.0 44.7 8.9 26.7 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 110.3 49.9 -68.4 -44.0 42.2 11.7 26.9 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -34,-0.4 0.934 112.3 48.8 -60.4 -40.9 42.4 12.3 23.2 64 64 A E H X S+ 0 0 71 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.803 106.4 55.0 -70.4 -27.5 41.9 8.6 22.7 65 65 A K H X S+ 0 0 138 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.937 109.6 47.9 -68.2 -42.1 38.9 8.6 25.0 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 108.6 55.1 -62.8 -41.4 37.4 11.3 22.9 67 67 A F H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.908 106.5 50.7 -56.7 -44.0 38.1 9.5 19.8 68 68 A N H X S+ 0 0 88 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.922 111.5 46.0 -60.5 -45.9 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.857 112.5 52.2 -65.5 -34.2 33.2 8.2 22.0 70 70 A D H X S+ 0 0 35 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.883 109.5 47.9 -72.6 -34.0 33.3 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.935 114.0 48.6 -67.9 -45.9 33.6 6.9 16.6 72 72 A D H X S+ 0 0 74 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.940 108.4 51.2 -59.3 -45.8 30.8 5.4 18.5 73 73 A A H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 108.8 54.1 -60.6 -38.2 28.5 8.4 18.2 74 74 A A H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.945 109.1 45.4 -62.3 -47.0 29.1 8.4 14.4 75 75 A V H X S+ 0 0 29 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.943 114.2 49.4 -60.8 -46.1 28.1 4.8 13.9 76 76 A R H X S+ 0 0 108 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.879 107.3 54.7 -62.4 -34.4 25.2 5.3 16.1 77 77 A G H X S+ 0 0 3 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.3 0.905 109.4 49.5 -65.0 -35.5 24.2 8.4 14.2 78 78 A I H >< S+ 0 0 4 -4,-2.0 3,-1.1 -5,-0.2 7,-0.6 0.958 108.9 50.6 -66.9 -45.7 24.3 6.3 11.0 79 79 A L H 3< S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.3 51.0 -66.0 -26.9 22.2 3.6 12.4 80 80 A R H 3< S+ 0 0 175 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.585 90.4 93.5 -84.3 -10.9 19.5 6.0 13.6 81 81 A N S+ 0 0 145 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.873 120.9 42.0 -75.1 -34.4 18.2 7.3 4.8 84 84 A L H >> S+ 0 0 10 2,-0.1 4,-2.6 -7,-0.1 3,-1.0 0.959 101.3 65.9 -75.8 -51.6 21.6 6.1 6.0 85 85 A K H 3X S+ 0 0 91 -4,-2.5 4,-2.7 -7,-0.6 5,-0.2 0.850 99.7 49.6 -40.3 -55.1 20.8 2.8 7.8 86 86 A P H 3> S+ 0 0 61 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.870 113.5 45.7 -62.2 -35.1 19.7 0.9 4.8 87 87 A V H XX S+ 0 0 9 -3,-1.0 3,-0.8 -4,-0.6 4,-0.7 0.952 111.8 51.9 -72.5 -48.9 22.7 1.9 2.7 88 88 A Y H >< S+ 0 0 29 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.914 108.5 50.2 -50.9 -49.2 25.1 1.2 5.5 89 89 A D H 3< S+ 0 0 67 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.755 103.2 61.0 -69.0 -17.9 23.8 -2.2 6.1 90 90 A S H << S+ 0 0 39 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.626 92.6 86.5 -82.8 -8.6 24.0 -3.2 2.5 91 91 A L S << S- 0 0 8 -3,-1.3 31,-0.0 -4,-0.7 30,-0.0 -0.548 78.1-112.1 -92.7 162.7 27.7 -2.7 2.3 92 92 A D > - 0 0 55 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.129 44.6 -92.1 -76.2 175.9 30.7 -4.9 3.1 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.881 120.5 48.2 -67.1 -33.7 32.9 -4.3 6.0 94 94 A V H >> S+ 0 0 28 1,-0.2 4,-1.5 62,-0.2 3,-1.4 0.976 111.8 48.7 -69.0 -50.2 35.6 -2.1 4.3 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.828 103.3 62.0 -57.7 -31.7 33.1 0.1 2.6 96 96 A R H 3X S+ 0 0 77 -4,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.859 100.7 55.0 -64.4 -28.1 31.3 0.6 5.9 97 97 A C H S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.683 129.6 57.2 -64.6 -20.5 25.0 12.9 9.4 109 109 A T H > S+ 0 0 115 2,-0.2 4,-0.9 -3,-0.1 3,-0.4 0.986 103.3 46.6 -70.2 -72.3 23.6 16.0 7.9 110 110 A G H >< S+ 0 0 34 -4,-0.8 3,-0.8 1,-0.3 -2,-0.2 0.848 117.5 46.4 -42.0 -45.0 26.3 16.7 5.3 111 111 A V H >< S+ 0 0 7 -4,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.874 98.1 67.3 -73.5 -37.0 26.1 13.0 4.3 112 112 A A H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.673 94.9 60.5 -58.5 -14.9 22.4 12.8 4.2 113 113 A G T << S+ 0 0 63 -4,-0.9 3,-0.3 -3,-0.8 -1,-0.3 0.290 78.6 88.2 -95.1 12.3 22.5 15.2 1.2 114 114 A F <> + 0 0 35 -3,-2.0 4,-3.2 1,-0.2 5,-0.3 -0.248 53.5 148.4-101.6 39.5 24.6 12.8 -0.9 115 115 A T H > + 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 64.0 46.2 -46.9 -47.5 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.916 113.8 49.7 -70.7 -34.4 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.960 108.4 54.4 -64.7 -44.5 25.7 8.8 -4.2 118 118 A L H X S+ 0 0 21 -4,-3.2 4,-2.6 1,-0.3 -1,-0.2 0.903 108.6 47.8 -54.2 -47.7 23.8 6.9 -1.6 119 119 A R H X S+ 0 0 125 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.3 0.920 111.2 50.1 -64.0 -38.7 21.6 5.3 -4.1 120 120 A M H <>S+ 0 0 26 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.873 110.3 50.0 -67.0 -34.2 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 8 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.911 108.4 53.9 -70.8 -37.5 26.3 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.900 109.1 46.9 -65.3 -31.9 23.3 0.9 -2.5 123 123 A Q T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.487 114.8-119.4 -85.4 -0.8 22.9 -0.5 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.5 2,-1.5 -4,-0.3 -3,-0.2 0.751 60.5 150.8 68.5 30.0 26.6 -1.3 -5.9 125 125 A R >< + 0 0 112 -5,-2.6 4,-2.6 1,-0.2 5,-0.2 -0.623 19.5 175.3 -90.3 75.9 27.5 0.9 -8.9 126 126 A W H > S+ 0 0 50 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.878 70.1 43.6 -52.8 -55.3 31.0 1.5 -7.6 127 127 A D H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 115.0 51.1 -65.2 -33.3 32.6 3.4 -10.3 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.938 109.2 48.1 -70.4 -41.3 29.5 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.6 1,-0.2 5,-0.2 0.881 108.3 57.0 -64.1 -34.4 29.3 6.4 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.941 108.9 44.9 -63.8 -47.2 33.0 7.3 -7.1 131 131 A V H >X S+ 0 0 93 -4,-2.1 4,-0.8 2,-0.2 3,-0.7 0.968 115.5 48.5 -59.9 -49.1 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.955 107.1 54.8 -58.4 -44.3 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.6 6,-0.4 1,-0.3 -1,-0.3 0.874 101.9 60.0 -60.4 -28.3 31.1 11.5 -5.0 134 134 A A H << S+ 0 0 26 -4,-1.3 2,-1.9 -3,-0.7 -1,-0.3 0.733 84.8 79.7 -70.7 -22.6 33.8 13.6 -6.6 135 135 A K S << S+ 0 0 163 -3,-1.5 2,-0.3 -4,-0.8 -1,-0.2 -0.517 81.1 97.4 -84.6 69.3 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.995 83.7-117.1-155.8 158.1 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.918 114.4 63.5 -60.0 -40.3 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 8,-0.2 0.929 106.3 41.3 -51.3 -49.1 33.9 17.9 0.0 139 139 A Y H 4 S+ 0 0 68 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.940 114.3 53.2 -66.3 -43.1 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 114.2 40.1 -59.7 -39.0 37.2 20.1 -3.8 141 141 A Q H < S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 132.5 20.3 -85.6 -31.4 38.3 21.3 -0.3 142 142 A T S X S+ 0 0 24 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 -0.486 72.9 158.9-135.9 66.9 40.0 18.2 0.9 143 143 A P H > + 0 0 43 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.826 67.9 55.5 -58.7 -41.1 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.955 116.4 37.3 -65.9 -44.3 43.7 14.1 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.949 115.7 53.1 -66.6 -51.2 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.936 106.1 56.3 -51.3 -42.2 38.5 12.6 -0.2 147 147 A K H X S+ 0 0 92 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.889 105.8 49.7 -56.6 -42.0 40.5 10.6 -2.7 148 148 A R H X S+ 0 0 71 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.892 113.4 44.9 -66.6 -41.3 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.891 111.7 52.5 -68.2 -40.1 37.8 7.5 0.9 150 150 A I H X S+ 0 0 11 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.880 109.0 50.0 -59.5 -43.9 36.4 7.5 -2.5 151 151 A T H X S+ 0 0 31 -4,-2.2 4,-2.5 -5,-0.3 6,-0.4 0.811 108.0 54.2 -65.0 -34.9 38.9 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.906 111.8 43.1 -65.0 -46.7 37.9 2.8 -0.5 153 153 A F H < S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.4 50.6 -65.9 -38.6 34.3 3.0 -1.6 154 154 A R H < S+ 0 0 99 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.874 124.7 23.9 -67.2 -38.4 35.2 2.3 -5.1 155 155 A T H < S- 0 0 47 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.645 82.4-137.1-102.9 -23.5 37.3 -0.8 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.9 2,-0.3 -5,-0.3 -62,-0.2 0.779 74.0 99.0 70.8 16.1 36.2 -2.2 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.873 80.8-118.1-127.4 172.2 40.0 -2.7 -0.2 158 158 A W S > S+ 0 0 50 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 0.047 71.6 123.3 -95.1 24.0 42.4 -0.6 2.0 159 159 A D G > + 0 0 120 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.868 68.0 55.7 -54.7 -37.4 44.8 0.1 -0.8 160 160 A A G 3 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.610 109.7 47.6 -69.7 -12.8 44.6 3.9 -0.5 161 161 A Y G < 0 0 6 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.351 360.0 360.0-106.2 -0.1 45.6 3.5 3.1 162 162 A K < 0 0 210 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.1 -0.211 360.0 360.0 53.4 360.0 48.3 1.2 1.8