==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAY-02 1LWK . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.M.MOOERS,R.D.BUSAM,L.H.WEAVER, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8907.0 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 . 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 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 . 3 1.9 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 0 1 1 2 0 0 1 1 1 0 0 0 0 0 1 0 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 X 0 0 86 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 125.9 43.2 -1.6 7.8 2 2 A N > - 0 0 69 95,-0.0 4,-3.8 1,-0.0 5,-0.1 -0.849 360.0 -86.4-142.2 174.5 40.0 -0.8 9.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 2,-0.2 5,-0.4 0.881 126.4 46.0 -53.8 -45.9 37.8 2.2 10.4 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.982 115.9 43.8 -65.6 -53.0 40.0 3.5 13.2 5 5 A E H > S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.931 114.8 55.9 -57.3 -37.1 43.3 3.1 11.4 6 6 A X H X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.2 -2,-0.2 0.944 112.2 35.0 -62.8 -48.3 41.5 4.5 8.4 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.841 110.2 64.3 -77.4 -26.8 40.3 7.9 9.9 8 8 A R H X S+ 0 0 102 -4,-2.6 4,-2.3 -5,-0.4 -1,-0.2 0.905 105.3 45.6 -61.6 -35.0 43.3 8.2 11.9 9 9 A I H < S+ 0 0 84 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.878 120.1 38.7 -70.4 -44.0 45.2 8.4 8.7 10 10 A D H < S+ 0 0 14 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.659 121.6 44.8 -82.9 -17.1 42.8 10.8 7.2 11 11 A E H < S- 0 0 28 -4,-2.9 19,-0.4 -5,-0.1 -3,-0.2 0.811 90.9-147.8 -97.5 -36.3 42.3 12.7 10.3 12 12 A G < - 0 0 25 -4,-2.3 2,-0.4 -5,-0.4 18,-0.2 -0.103 17.6 -95.9 88.9 161.4 45.6 13.3 11.9 13 13 A L + 0 0 49 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.986 44.4 163.4-124.7 117.2 46.6 13.6 15.5 14 14 A R - 0 0 110 -2,-0.4 14,-2.1 14,-0.3 4,-0.1 -0.998 22.6-167.5-135.2 127.1 46.9 17.0 17.1 15 15 A L S S+ 0 0 53 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.511 74.3 66.6 -97.7 -2.2 47.0 17.7 20.8 16 16 A K B S-A 57 0A 117 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.926 95.6 -98.4-120.6 139.4 46.5 21.3 20.5 17 17 A I + 0 0 29 39,-1.4 2,-0.3 -2,-0.4 10,-0.3 -0.217 51.8 164.1 -53.6 147.0 43.3 23.0 19.2 18 18 A Y E -B 26 0B 64 8,-5.3 8,-5.5 6,-0.1 2,-0.4 -0.862 35.7-105.4-153.7 177.5 43.3 24.0 15.7 19 19 A K E -B 25 0B 115 6,-0.3 6,-0.2 -2,-0.3 5,-0.1 -0.911 30.9-132.4-112.2 141.4 41.1 25.0 12.9 20 20 A D > - 0 0 53 4,-1.4 3,-1.8 -2,-0.4 -1,-0.1 0.043 45.2 -80.2 -78.6-173.3 40.3 22.8 9.9 21 21 A T T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.788 136.2 56.5 -61.5 -18.7 40.5 23.8 6.2 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.0 119,-0.0 0.381 120.4-111.5 -87.4 -10.7 37.1 25.4 7.0 23 23 A G < + 0 0 32 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.339 69.9 141.3 90.7 2.5 38.5 27.5 9.8 24 24 A Y - 0 0 62 1,-0.1 -4,-1.4 11,-0.1 -1,-0.2 -0.591 58.6-103.7 -83.4 132.9 36.7 25.6 12.6 25 25 A Y E +BC 19 34B 31 9,-1.3 8,-2.8 11,-0.5 9,-1.4 -0.152 52.6 163.3 -55.6 132.0 38.3 24.9 16.0 26 26 A T E -BC 18 32B 5 -8,-5.5 -8,-5.3 6,-0.3 2,-0.3 -0.957 18.8-174.8-152.0 155.9 39.3 21.3 16.2 27 27 A I E > + C 0 31B 0 4,-1.5 4,-2.1 -2,-0.3 -12,-0.2 -0.930 51.4 3.7-148.6 166.4 41.5 18.9 18.3 28 28 A G T 4 S- 0 0 0 -14,-2.1 2,-1.8 -2,-0.3 -14,-0.3 -0.161 120.0 -4.9 53.3-143.8 42.7 15.3 18.4 29 29 A I T 4 S- 0 0 5 34,-0.3 -1,-0.2 1,-0.2 -17,-0.2 -0.552 127.8 -54.4 -82.8 75.6 41.6 12.9 15.6 30 30 A G T 4 S+ 0 0 15 -2,-1.8 2,-0.9 -19,-0.4 -1,-0.2 0.809 85.1 162.0 64.7 27.5 39.4 15.2 13.7 31 31 A H E < -C 27 0B 31 -4,-2.1 -4,-1.5 -20,-0.0 2,-0.3 -0.690 33.6-139.8 -86.0 108.9 37.1 16.1 16.7 32 32 A L E +C 26 0B 90 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.521 24.4 176.7 -67.4 120.2 35.2 19.3 15.9 33 33 A L E - 0 0 17 -8,-2.8 2,-0.3 -2,-0.3 -7,-0.2 0.907 59.4 -21.0 -87.2 -54.9 35.0 21.6 19.0 34 34 A T E -C 25 0B 22 -9,-1.4 2,-1.3 2,-0.1 -9,-1.3 -0.823 33.6-143.5-166.0 130.3 33.3 24.6 17.7 35 35 A K S S+ 0 0 128 -2,-0.3 -11,-0.1 -11,-0.2 3,-0.1 -0.781 71.1 113.8 -84.7 98.3 32.4 26.5 14.7 36 36 A S S S- 0 0 33 -2,-1.3 -11,-0.5 1,-0.0 6,-0.1 -0.707 71.0-133.8-175.1 125.7 32.8 29.6 16.5 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.731 80.1 99.4 -56.8 -28.6 35.4 32.3 15.9 38 38 A S > - 0 0 48 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.435 57.9-161.7 -72.0 117.0 36.1 32.5 19.6 39 39 A L H > S+ 0 0 66 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.944 92.6 57.0 -59.7 -39.6 39.0 30.6 20.8 40 40 A N H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.915 103.0 52.8 -59.2 -37.1 37.6 30.7 24.3 41 41 A A H > S+ 0 0 30 -3,-0.3 4,-3.9 1,-0.2 -1,-0.2 0.947 109.2 50.8 -59.4 -46.6 34.4 29.1 23.3 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-4.7 2,-0.2 -2,-0.2 0.911 110.2 49.4 -55.1 -46.0 36.5 26.4 21.8 43 43 A K H X S+ 0 0 38 -4,-2.9 4,-3.0 2,-0.2 11,-0.3 0.966 112.1 46.1 -60.6 -49.4 38.5 26.0 25.0 44 44 A S H X S+ 0 0 63 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.954 113.9 50.5 -59.3 -48.0 35.4 25.8 27.2 45 45 A E H >X S+ 0 0 64 -4,-3.9 4,-2.5 -5,-0.3 3,-0.8 0.983 108.8 51.8 -55.4 -48.5 34.0 23.4 24.7 46 46 A L H 3X S+ 0 0 0 -4,-4.7 4,-2.8 1,-0.3 5,-0.3 0.934 108.8 50.3 -50.4 -47.1 37.3 21.4 24.9 47 47 A D H 3X>S+ 0 0 35 -4,-3.0 4,-3.2 1,-0.2 5,-1.8 0.825 109.9 50.8 -60.5 -32.4 37.0 21.3 28.8 48 48 A K H <<5S+ 0 0 156 -4,-1.9 -1,-0.2 -3,-0.8 -2,-0.2 0.900 108.8 50.9 -75.1 -40.0 33.4 20.0 28.6 49 49 A A H <5S+ 0 0 36 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.964 124.9 28.6 -57.4 -51.9 34.4 17.3 26.2 50 50 A I H <5S- 0 0 36 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.768 102.1-131.4 -85.3 -26.2 37.2 16.3 28.5 51 51 A G T <5S+ 0 0 60 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.939 74.8 80.5 75.6 46.2 35.5 17.4 31.8 52 52 A R S - 0 0 12 -2,-1.0 3,-1.0 -11,-0.3 -1,-0.2 0.870 28.9-153.9 -81.9 -47.2 42.3 22.1 29.5 55 55 A N T 3 S- 0 0 116 1,-0.2 -2,-0.1 -12,-0.1 -12,-0.1 0.983 77.7 -57.4 55.3 46.7 43.6 25.5 28.3 56 56 A G T 3 S+ 0 0 7 -13,-0.1 -39,-1.4 1,-0.1 2,-0.4 0.238 113.1 93.7 67.1 3.5 43.7 23.9 24.9 57 57 A V B < +A 16 0A 63 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.950 42.1 176.6-123.8 149.5 45.9 20.8 25.2 58 58 A I - 0 0 6 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.832 32.6-101.7-138.5 171.8 45.1 17.2 25.8 59 59 A T > - 0 0 70 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.399 32.4-118.9 -87.6 156.9 46.9 13.9 26.0 60 60 A K H > S+ 0 0 106 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.873 117.6 61.7 -71.6 -26.9 46.6 11.6 23.2 61 61 A D H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.941 107.4 46.2 -57.1 -40.2 45.0 9.1 25.4 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.939 110.2 54.2 -60.2 -51.0 42.3 11.9 25.7 63 63 A A H X S+ 0 0 1 -4,-3.2 4,-1.7 1,-0.3 -34,-0.3 0.941 108.2 49.3 -49.1 -48.8 42.5 12.3 21.9 64 64 A E H X S+ 0 0 79 -4,-4.0 4,-2.1 1,-0.2 -1,-0.3 0.886 105.3 57.8 -67.7 -30.7 41.8 8.6 21.6 65 65 A K H X S+ 0 0 118 -4,-1.5 4,-2.0 -3,-0.3 5,-0.3 0.974 107.7 45.2 -61.0 -50.9 38.9 8.8 24.0 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.812 109.2 59.9 -56.0 -35.1 37.1 11.4 21.8 67 67 A F H X S+ 0 0 16 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.913 103.6 49.2 -55.2 -54.1 38.0 9.2 18.9 68 68 A N H X S+ 0 0 94 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.876 115.3 43.9 -50.4 -51.1 36.0 6.2 20.3 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-4.8 2,-0.2 5,-0.2 0.955 113.7 49.6 -62.5 -52.6 33.0 8.3 21.0 70 70 A D H X S+ 0 0 33 -4,-2.8 4,-2.9 -5,-0.3 -2,-0.2 0.934 113.1 46.0 -55.4 -47.6 33.1 10.0 17.7 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.957 116.8 45.6 -59.3 -48.2 33.5 6.7 15.9 72 72 A D H X S+ 0 0 92 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.922 110.7 54.6 -54.1 -53.3 30.6 5.3 18.1 73 73 A A H X S+ 0 0 42 -4,-4.8 4,-2.6 -5,-0.2 -1,-0.2 0.937 109.7 47.8 -45.7 -54.2 28.7 8.5 17.4 74 74 A A H X S+ 0 0 7 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.963 111.7 44.3 -54.3 -68.7 29.1 8.0 13.7 75 75 A V H X S+ 0 0 35 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.856 112.9 55.8 -46.2 -40.2 28.1 4.4 13.3 76 76 A R H X S+ 0 0 106 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.946 106.1 48.5 -61.9 -51.6 25.2 5.0 15.7 77 77 A G H < S+ 0 0 13 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.896 112.7 49.8 -58.6 -40.8 23.8 7.9 13.5 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 7,-0.4 0.987 117.1 39.5 -57.9 -55.4 24.1 5.7 10.4 79 79 A L H 3< S+ 0 0 71 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.728 112.0 58.6 -67.2 -23.7 22.3 2.9 12.2 80 80 A R T 3< S+ 0 0 184 -4,-2.6 2,-0.6 -5,-0.1 -1,-0.3 -0.137 92.0 107.2 -91.1 22.4 19.9 5.4 13.8 81 81 A N <> - 0 0 35 -3,-1.2 4,-3.1 1,-0.2 -1,-0.0 -0.844 62.0-155.1-128.4 124.1 18.8 6.6 10.5 82 82 A A T 4 S+ 0 0 78 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.879 105.2 27.8 -40.4 -61.5 15.8 6.1 8.5 83 83 A K T > S+ 0 0 170 1,-0.1 4,-1.1 2,-0.1 -1,-0.2 0.953 123.9 47.7 -74.5 -43.3 17.6 6.7 5.3 84 84 A X H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.889 97.9 66.0 -68.6 -40.5 21.1 5.5 6.2 85 85 A K H X S+ 0 0 103 -4,-3.1 4,-2.5 -7,-0.4 5,-0.3 0.945 103.8 46.8 -49.4 -51.3 20.3 2.2 7.9 86 86 A P H > S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.897 114.5 49.3 -58.2 -38.9 19.1 0.7 4.7 87 87 A X H X S+ 0 0 13 -4,-1.1 4,-0.6 -3,-0.2 3,-0.4 0.960 113.9 41.5 -65.0 -60.3 22.2 2.0 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.7 3,-2.4 1,-0.2 -3,-0.2 0.966 112.4 54.4 -51.7 -58.5 24.8 0.8 5.3 89 89 A D H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.788 103.2 60.4 -49.7 -22.0 23.2 -2.5 5.8 90 90 A S H 3< S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.719 96.8 78.7 -78.6 -24.0 23.3 -2.9 2.0 91 91 A X S << S- 0 0 24 -3,-2.4 2,-0.0 -4,-0.6 -3,-0.0 -0.415 79.2-104.9 -95.1 162.4 27.1 -2.6 1.7 92 92 A D > - 0 0 59 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.286 47.4 -95.2 -69.6 166.9 30.2 -4.8 2.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.793 122.8 46.5 -59.5 -27.2 32.5 -4.3 5.3 94 94 A V H > S+ 0 0 24 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.938 111.1 45.6 -81.1 -47.4 34.8 -2.0 3.4 95 95 A R H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.848 113.2 55.9 -67.4 -23.6 32.3 0.3 1.7 96 96 A R H X S+ 0 0 64 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.918 103.8 52.7 -66.5 -43.4 30.7 0.4 5.2 97 97 A A H X S+ 0 0 10 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.940 110.7 48.0 -59.7 -42.7 34.0 1.5 6.6 98 98 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 105.2 57.8 -66.5 -37.2 34.1 4.3 4.1 99 99 A X H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.946 107.9 47.7 -56.5 -48.0 30.5 5.2 4.9 100 100 A I H X S+ 0 0 6 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.926 107.0 57.2 -56.9 -42.1 31.5 5.8 8.6 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.915 108.3 46.1 -54.7 -50.0 34.4 7.8 7.5 102 102 A X H X>S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.6 0.908 115.0 45.1 -57.8 -50.5 32.2 10.3 5.5 103 103 A V H X5S+ 0 0 8 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.916 112.9 51.3 -63.1 -43.9 29.6 10.7 8.3 104 104 A F H <5S+ 0 0 31 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.946 115.7 43.4 -57.7 -50.0 32.3 11.1 10.9 105 105 A Q H <5S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.860 133.6 12.3 -62.8 -45.4 33.9 13.7 8.8 106 106 A X H <5S- 0 0 37 -4,-2.7 4,-0.4 -5,-0.1 -3,-0.2 0.753 98.0-127.7-102.7 -46.3 30.9 15.7 7.6 107 107 A G X< - 0 0 24 -4,-1.6 4,-2.0 -5,-0.6 -3,-0.1 0.039 30.6 -72.4 104.9 160.1 27.9 14.7 9.7 108 108 A E H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.883 123.9 58.9 -50.4 -51.4 24.3 13.4 8.9 109 109 A T H >4 S+ 0 0 127 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.987 113.2 35.0 -52.0 -54.6 23.1 16.6 7.8 110 110 A R H >4 S+ 0 0 122 -4,-0.4 3,-2.0 1,-0.3 4,-0.4 0.830 104.5 75.5 -70.1 -22.9 25.6 17.1 5.1 111 111 A X H >< S+ 0 0 9 -4,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.825 84.1 66.0 -57.0 -37.9 25.5 13.4 4.4 112 112 A A G X< S+ 0 0 65 -4,-1.5 3,-1.3 -3,-0.9 -1,-0.3 0.589 84.9 67.0 -63.4 -16.5 22.1 13.8 2.7 113 113 A G G < S+ 0 0 64 -3,-2.0 3,-0.4 -4,-0.3 -1,-0.3 0.735 96.1 65.4 -73.0 -13.2 23.4 15.9 -0.2 114 114 A F G <> S+ 0 0 18 -3,-1.8 4,-2.3 -4,-0.4 3,-0.4 0.355 70.3 105.9 -87.3 6.8 25.0 12.5 -0.8 115 115 A T H <> S+ 0 0 52 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.842 75.1 50.6 -60.8 -43.3 21.7 10.6 -1.5 116 116 A N H > S+ 0 0 97 -3,-0.4 4,-2.4 -4,-0.2 -1,-0.2 0.875 113.4 47.1 -63.8 -37.3 22.0 10.2 -5.2 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.950 111.7 48.2 -66.0 -52.9 25.5 8.8 -5.0 118 118 A X H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.893 113.6 52.5 -56.1 -32.8 24.6 6.4 -2.2 119 119 A R H X S+ 0 0 136 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.969 108.0 46.2 -67.5 -49.4 21.7 5.6 -4.5 120 120 A X H <>S+ 0 0 36 -4,-2.4 5,-4.1 1,-0.3 -1,-0.2 0.828 109.2 60.5 -55.8 -34.9 23.9 4.9 -7.6 121 121 A X H ><5S+ 0 0 7 -4,-2.3 3,-3.0 1,-0.3 -1,-0.3 0.962 99.1 52.2 -56.5 -55.1 25.9 3.0 -5.2 122 122 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 109.3 51.8 -60.0 -15.9 23.0 0.9 -4.5 123 123 A Q T 3<5S- 0 0 101 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.438 116.1-115.8 -99.1 4.2 22.9 0.4 -8.3 124 124 A K T < 5 + 0 0 133 -3,-3.0 2,-1.0 -5,-0.2 3,-0.3 0.758 68.9 143.7 73.9 22.3 26.4 -0.5 -8.4 125 125 A R >>< + 0 0 111 -5,-4.1 4,-3.8 1,-0.2 3,-0.7 -0.128 14.5 156.8 -92.2 53.9 27.2 2.5 -10.4 126 126 A W H 3> + 0 0 65 -2,-1.0 4,-4.4 1,-0.3 5,-0.3 0.890 67.0 48.0 -35.2 -69.5 30.5 2.9 -8.8 127 127 A D H 3> S+ 0 0 110 -3,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.848 119.2 40.5 -47.0 -44.2 32.3 4.9 -11.4 128 128 A E H <> S+ 0 0 99 -3,-0.7 4,-2.1 2,-0.2 -1,-0.3 0.854 114.0 52.1 -71.1 -44.8 29.4 7.2 -11.7 129 129 A A H X S+ 0 0 0 -4,-3.8 4,-3.2 1,-0.2 -2,-0.2 0.986 112.2 51.8 -52.2 -48.6 28.8 7.3 -8.0 130 130 A A H X S+ 0 0 5 -4,-4.4 4,-1.2 -5,-0.3 -2,-0.2 0.823 108.9 43.8 -59.5 -43.5 32.4 8.1 -7.8 131 131 A V H X S+ 0 0 93 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.3 0.806 113.2 55.6 -75.9 -25.9 32.5 11.0 -10.2 132 132 A N H >< S+ 0 0 39 -4,-2.1 3,-3.2 1,-0.2 -2,-0.2 0.990 103.2 53.7 -60.5 -59.0 29.4 12.2 -8.6 133 133 A X H 3< S+ 0 0 1 -4,-3.2 6,-0.5 1,-0.3 -1,-0.2 0.735 102.9 58.0 -48.1 -33.1 30.9 12.3 -5.2 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-2.4 1,-0.2 -1,-0.3 0.692 86.7 79.3 -76.7 -21.6 33.9 14.4 -6.3 135 135 A K S << S+ 0 0 156 -3,-3.2 2,-0.4 -4,-0.6 -1,-0.2 -0.447 81.2 106.7 -83.7 75.1 31.7 17.0 -7.4 136 136 A S S > S- 0 0 14 -2,-2.4 4,-2.4 1,-0.2 5,-0.1 -0.994 82.3-120.8-153.8 151.8 31.2 18.3 -4.0 137 137 A R H > S+ 0 0 130 -2,-0.4 4,-1.5 1,-0.2 5,-0.2 0.926 118.5 51.6 -49.7 -42.8 31.9 21.0 -1.5 138 138 A W H >> S+ 0 0 20 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.967 108.5 43.5 -59.3 -66.0 33.4 18.0 0.5 139 139 A Y H 34 S+ 0 0 67 -6,-0.5 -1,-0.3 1,-0.2 7,-0.2 0.871 112.8 61.1 -50.9 -32.4 35.6 16.5 -2.0 140 140 A N H 3< S+ 0 0 98 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.775 103.2 43.4 -69.1 -34.2 36.6 20.2 -2.8 141 141 A Q H << S+ 0 0 67 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.747 131.0 24.0 -81.7 -27.0 38.1 21.3 0.4 142 142 A T X + 0 0 29 -4,-1.5 4,-3.0 -5,-0.2 5,-0.2 -0.558 65.5 160.1-145.3 79.6 39.9 18.0 0.9 143 143 A P H > S+ 0 0 53 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.828 72.2 57.0 -61.3 -47.2 40.7 16.2 -2.2 144 144 A N H > S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.982 116.8 33.8 -62.2 -49.4 43.4 14.1 -1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 120.2 49.7 -71.2 -40.4 41.4 12.6 1.7 146 146 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.912 107.1 57.2 -63.0 -36.1 38.1 12.6 -0.2 147 147 A K H X S+ 0 0 125 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.953 107.7 49.4 -58.2 -41.3 39.9 11.0 -3.2 148 148 A R H X S+ 0 0 65 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.906 110.8 47.1 -63.9 -45.7 40.8 8.2 -0.8 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.918 114.6 47.3 -67.6 -37.6 37.3 7.7 0.6 150 150 A I H X S+ 0 0 6 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.968 108.9 51.0 -65.5 -51.9 35.8 7.6 -2.8 151 151 A T H X S+ 0 0 20 -4,-2.7 4,-2.2 -5,-0.3 6,-0.4 0.893 112.5 52.3 -49.6 -37.6 38.3 5.3 -4.3 152 152 A T H >X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 3,-0.6 0.996 109.8 44.3 -63.1 -58.6 37.4 3.2 -1.3 153 153 A X H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.821 117.5 49.7 -49.2 -39.9 33.7 3.4 -1.9 154 154 A R H 3< S+ 0 0 59 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.859 116.7 32.7 -72.4 -42.6 34.3 2.7 -5.5 155 155 A T H << S- 0 0 52 -4,-2.2 -2,-0.2 -3,-0.6 -1,-0.2 0.478 89.4-131.4 -96.7 -14.9 36.6 -0.3 -5.5 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 1,-0.3 -62,-0.1 0.648 76.5 98.9 68.3 15.8 35.4 -2.1 -2.5 157 157 A T S S- 0 0 43 -5,-0.5 -1,-0.3 -6,-0.4 3,-0.2 -0.710 78.6-122.5-126.8-179.4 39.1 -2.3 -1.5 158 158 A W > + 0 0 61 -2,-0.2 3,-3.0 1,-0.2 4,-0.5 0.198 68.3 119.0-105.2 10.2 41.9 -0.6 0.7 159 159 A D G > + 0 0 106 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.792 70.0 58.0 -50.0 -31.7 44.3 0.2 -2.0 160 160 A A G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.664 104.4 51.3 -79.1 -10.9 44.2 3.9 -1.4 161 161 A Y G < 0 0 22 -3,-3.0 -1,-0.3 -13,-0.1 -2,-0.2 0.371 360.0 360.0-102.2 3.1 45.3 3.3 2.1 162 162 A K < 0 0 223 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.914 360.0 360.0 -91.1 360.0 48.2 1.2 0.9