==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-02 1L0K . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.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) . 8722.0 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 . 8 4.9 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 2 0 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 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.3 43.5 -1.9 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-3.8 95,-0.0 5,-0.2 -0.939 360.0 -79.8-161.7 174.8 40.3 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.827 125.7 50.2 -58.2 -37.1 38.1 2.4 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.944 114.9 41.5 -68.2 -46.2 40.3 3.6 14.1 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.883 114.1 55.0 -69.8 -36.0 43.5 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-3.8 4,-1.8 1,-0.2 -2,-0.2 0.941 112.9 38.6 -63.5 -48.9 41.9 4.6 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.4 0.845 108.0 62.7 -71.9 -28.7 40.7 7.8 10.7 8 8 A R H X S+ 0 0 104 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.893 107.9 46.5 -65.5 -24.7 43.8 8.3 12.9 9 9 A I H < S+ 0 0 83 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.910 114.1 46.7 -77.4 -46.9 45.7 8.5 9.6 10 10 A D H < S+ 0 0 19 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 124.4 28.7 -64.4 -34.5 43.2 10.9 8.0 11 11 A E H < S- 0 0 45 -4,-2.5 19,-0.3 1,-0.2 -1,-0.2 0.638 92.1-149.6-106.2 -20.5 42.9 13.3 10.9 12 12 A G < - 0 0 24 -4,-1.3 2,-0.3 -5,-0.4 -1,-0.2 -0.264 24.1 -86.0 76.6-173.8 46.2 13.1 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.974 43.8 169.9-140.5 120.5 46.7 13.7 16.4 14 14 A R E -A 28 0A 127 14,-1.7 14,-2.3 -2,-0.3 4,-0.1 -0.996 19.5-164.0-139.1 129.7 47.2 17.1 18.1 15 15 A L E S+ 0 0 59 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.334 72.9 62.8 -96.7 3.9 47.1 17.8 21.7 16 16 A K E S-C 57 0B 84 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.929 100.0 -87.4-126.7 143.8 46.7 21.5 21.7 17 17 A I E + 0 0 17 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.290 57.6 168.5 -47.4 139.9 43.7 23.3 20.2 18 18 A Y E -A 26 0A 36 8,-3.0 8,-3.0 -4,-0.1 2,-0.5 -0.873 36.2 -98.8-147.2 174.5 44.1 24.0 16.6 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.862 33.5-140.4-103.5 130.0 42.2 25.1 13.5 20 20 A D > - 0 0 49 4,-3.3 3,-0.9 -2,-0.5 -1,-0.1 0.105 40.5 -83.7 -71.2-168.5 40.9 22.6 11.2 21 21 A T T 3 S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.765 134.4 48.8 -74.7 -15.3 40.9 23.0 7.5 22 22 A E T 3 S- 0 0 92 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.450 124.9-106.3 -92.7 -5.1 37.5 25.1 7.6 23 23 A G S < S+ 0 0 29 -3,-0.9 2,-0.3 1,-0.3 -2,-0.1 0.576 73.5 141.8 89.4 22.5 39.2 27.1 10.4 24 24 A Y - 0 0 70 1,-0.1 -4,-3.3 9,-0.0 -1,-0.3 -0.781 60.2-101.3 -97.0 142.7 37.2 25.7 13.3 25 25 A Y E +AB 19 34A 33 9,-0.9 8,-3.3 11,-0.4 9,-1.5 -0.448 53.4 164.0 -61.1 129.9 38.8 24.9 16.6 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.0 6,-0.3 2,-0.3 -0.877 16.3-172.8-141.5 162.0 39.5 21.3 17.0 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.1 -2,-0.3 -12,-0.2 -0.968 51.6 8.2-149.2 170.2 41.7 19.2 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.7 -0.372 122.8 -8.5 70.7-134.0 42.8 15.5 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.688 126.8 -53.2-107.2 73.0 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 14 -2,-0.7 2,-1.0 -19,-0.3 -2,-0.2 0.780 84.0 160.5 66.4 31.6 39.7 15.5 14.6 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.8 1,-0.0 -1,-0.2 -0.701 34.3-140.3 -87.3 109.0 37.4 16.3 17.5 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.408 19.5-175.4 -61.8 132.3 35.5 19.5 16.5 33 33 A L E - 0 0 12 -8,-3.3 2,-0.3 1,-0.3 -7,-0.2 0.876 57.9 -27.0 -97.9 -40.1 35.1 21.9 19.4 34 34 A T E -B 25 0A 29 -9,-1.5 -9,-0.9 1,-0.1 -1,-0.3 -0.841 36.9-132.5-173.1 145.3 33.1 24.6 18.1 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.635 76.5 105.5 -77.5 -9.2 32.2 26.5 15.0 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.360 74.7-129.3 -83.1 154.6 32.7 29.8 16.7 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.533 76.7 102.2 -73.0 -7.2 35.5 32.1 16.2 38 38 A S > - 0 0 51 1,-0.2 4,-2.4 -13,-0.0 5,-0.1 -0.702 55.2-159.5 -90.8 127.1 36.2 32.5 19.9 39 39 A L H > S+ 0 0 63 -2,-0.6 4,-3.1 2,-0.2 5,-0.2 0.842 94.1 54.0 -66.6 -34.8 39.0 30.7 21.4 40 40 A N H > S+ 0 0 110 2,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.908 105.9 52.3 -68.6 -40.6 37.6 31.0 24.9 41 41 A A H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 111.1 47.6 -55.3 -49.0 34.5 29.5 23.7 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.3 0.926 110.9 52.7 -59.9 -41.6 36.6 26.7 22.3 43 43 A K H X S+ 0 0 55 -4,-3.1 4,-1.9 2,-0.2 11,-0.3 0.900 110.1 47.0 -64.3 -31.9 38.5 26.5 25.7 44 44 A S H X S+ 0 0 73 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.936 110.4 52.5 -76.6 -39.9 35.2 26.2 27.6 45 45 A E H X S+ 0 0 70 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.919 109.4 50.6 -60.1 -44.6 33.9 23.5 25.2 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 5,-0.3 0.917 109.4 49.8 -62.0 -40.9 37.1 21.6 25.7 47 47 A D H X>S+ 0 0 37 -4,-1.9 4,-2.1 1,-0.2 5,-1.0 0.899 108.8 52.7 -68.8 -32.7 36.9 21.7 29.4 48 48 A K H <5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.6 46.3 -64.7 -40.3 33.3 20.6 29.4 49 49 A A H <5S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.827 120.3 36.8 -71.4 -36.1 34.2 17.5 27.2 50 50 A I H <5S- 0 0 38 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.724 102.3-130.1 -88.5 -32.7 37.2 16.4 29.2 51 51 A G T <5S+ 0 0 67 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.738 73.3 75.8 85.6 29.4 35.8 17.4 32.6 52 52 A R S - 0 0 7 -2,-1.0 3,-1.0 -11,-0.3 -1,-0.2 0.725 31.2-142.7 -91.9 -28.8 42.5 21.9 30.6 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.876 72.2 -58.0 67.9 30.8 43.9 25.2 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.531 119.8 97.5 76.0 7.9 43.7 24.2 25.8 57 57 A V B < +C 16 0B 67 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.981 45.3 175.8-134.8 132.4 45.9 21.1 26.3 58 58 A I - 0 0 6 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.867 28.7-106.9-126.7 170.7 45.0 17.4 26.8 59 59 A T > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.393 33.7-104.7 -92.0 169.9 46.9 14.2 27.1 60 60 A K H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.875 121.5 53.3 -59.9 -39.4 47.1 11.4 24.6 61 61 A D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 107.9 49.5 -63.4 -45.8 44.8 9.3 26.6 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.905 109.3 53.3 -59.8 -43.5 42.1 12.0 26.7 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -34,-0.4 0.901 110.9 46.6 -54.0 -48.6 42.4 12.4 22.9 64 64 A E H X S+ 0 0 80 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.826 108.1 55.3 -66.0 -35.6 41.8 8.7 22.5 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.980 110.0 46.5 -64.2 -45.0 39.0 8.8 24.8 66 66 A L H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.856 110.5 52.9 -58.8 -40.7 37.4 11.5 22.8 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.934 106.5 53.1 -65.1 -42.8 38.1 9.6 19.6 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.1 1,-0.3 5,-0.2 0.954 111.5 46.5 -56.1 -47.9 36.4 6.5 20.9 69 69 A Q H X S+ 0 0 99 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.3 0.878 112.6 48.9 -62.3 -40.0 33.3 8.4 21.7 70 70 A D H X S+ 0 0 34 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.841 110.3 49.3 -75.2 -30.3 33.2 10.2 18.4 71 71 A V H X S+ 0 0 7 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.954 112.8 48.2 -71.0 -43.7 33.6 7.1 16.4 72 72 A D H X S+ 0 0 93 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.931 109.9 52.9 -57.3 -42.9 30.9 5.4 18.3 73 73 A A H X S+ 0 0 63 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.3 0.832 107.0 53.0 -61.7 -37.1 28.7 8.5 17.9 74 74 A A H X S+ 0 0 9 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.934 108.4 48.8 -66.7 -44.6 29.2 8.3 14.1 75 75 A V H X S+ 0 0 30 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.957 113.2 47.5 -57.6 -52.8 28.1 4.7 13.8 76 76 A R H X S+ 0 0 127 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.872 106.9 55.9 -59.7 -37.0 25.0 5.3 15.9 77 77 A G H X S+ 0 0 9 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.945 108.8 48.6 -63.4 -37.6 24.1 8.3 13.9 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 7,-0.6 0.965 111.2 49.7 -60.7 -50.9 24.2 6.2 10.8 79 79 A L H 3< S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.737 110.8 50.3 -61.8 -28.7 22.1 3.5 12.4 80 80 A R H 3< S+ 0 0 185 -4,-1.8 2,-0.8 -5,-0.2 -1,-0.3 0.534 90.3 94.3 -84.7 -7.9 19.6 6.0 13.5 81 81 A N > S+ 0 0 4 -6,-0.2 4,-2.5 -7,-0.2 3,-0.8 0.881 98.1 73.1 -90.6 -42.3 21.6 6.0 5.7 85 85 A K H 3X S+ 0 0 85 -4,-3.4 4,-3.3 -7,-0.6 5,-0.3 0.913 97.9 49.1 -37.5 -52.1 21.0 2.8 7.7 86 86 A P H 3> S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.887 111.1 48.7 -66.1 -32.2 19.9 0.9 4.6 87 87 A V H <4 S+ 0 0 4 -3,-0.8 3,-0.5 -4,-0.4 4,-0.5 0.975 112.8 48.0 -66.7 -47.8 22.9 1.9 2.6 88 88 A Y H >< S+ 0 0 29 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.908 110.8 52.0 -56.0 -47.6 25.2 1.0 5.4 89 89 A D H 3< S+ 0 0 69 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.820 102.3 59.0 -63.2 -29.3 23.5 -2.3 5.9 90 90 A S T 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -3,-0.5 2,-0.2 0.585 97.1 84.7 -76.3 -11.3 23.8 -3.3 2.3 91 91 A M S < S- 0 0 6 -3,-1.4 2,-0.1 -4,-0.5 31,-0.0 -0.661 76.6-113.6 -99.8 162.5 27.6 -3.0 2.3 92 92 A D > - 0 0 60 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.290 45.0 -95.4 -76.6 169.5 30.6 -5.1 3.3 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.727 119.2 51.6 -62.0 -34.3 32.8 -4.1 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.937 113.0 45.7 -68.9 -47.3 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.825 107.6 57.2 -64.2 -37.7 33.0 0.0 2.6 96 96 A R H X S+ 0 0 81 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.924 104.3 53.4 -58.5 -40.6 31.1 0.5 5.8 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.883 105.3 54.3 -61.7 -38.6 34.4 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.866 109.3 49.0 -59.7 -38.1 34.5 4.3 4.3 99 99 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 108.2 50.6 -68.7 -41.8 31.0 5.5 5.2 100 100 A I H X S+ 0 0 11 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.907 107.5 56.7 -63.2 -42.6 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.942 109.8 44.3 -53.6 -48.3 34.9 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 5,-0.4 0.885 113.6 49.5 -63.4 -45.2 32.8 10.5 5.8 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 109.5 52.9 -62.6 -42.1 30.1 10.7 8.6 104 104 A F H < S+ 0 0 31 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.943 116.4 39.4 -56.4 -42.0 32.8 11.4 11.1 105 105 A Q H < S+ 0 0 60 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.946 130.5 22.5 -76.1 -51.2 34.2 14.3 9.0 106 106 A M H X S- 0 0 41 -4,-3.0 4,-1.2 -5,-0.1 -3,-0.2 0.544 95.6-134.4-105.1 -2.1 31.1 15.9 7.7 107 107 A G H >X - 0 0 27 -4,-2.2 4,-1.5 -5,-0.4 3,-0.7 0.118 44.1 -65.3 68.0 164.1 28.4 14.9 10.1 108 108 A E H 3> S+ 0 0 91 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.783 134.0 57.3 -50.0 -37.3 24.9 13.7 9.0 109 109 A T H >4 S+ 0 0 125 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.844 104.5 46.2 -65.1 -47.1 24.2 17.1 7.5 110 110 A G H X< S+ 0 0 32 -4,-1.2 3,-1.1 -3,-0.7 -1,-0.2 0.841 106.5 64.4 -68.6 -30.0 27.1 17.2 5.1 111 111 A M H >< S+ 0 0 3 -4,-1.5 3,-1.1 1,-0.3 -2,-0.2 0.637 85.0 76.7 -64.6 -24.4 26.1 13.5 4.2 112 112 A A G X< S+ 0 0 54 -4,-0.6 3,-0.9 -3,-0.5 -1,-0.3 0.708 83.9 59.0 -57.3 -35.9 22.8 14.8 2.8 113 113 A G G < S+ 0 0 70 -3,-1.1 3,-0.4 -4,-0.3 -1,-0.2 0.622 95.5 71.7 -73.5 -8.6 24.3 16.2 -0.5 114 114 A F G <> + 0 0 18 -3,-1.1 4,-2.6 1,-0.2 5,-0.3 0.312 59.5 116.1 -93.5 15.9 25.4 12.6 -1.1 115 115 A T H <> S+ 0 0 71 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.868 75.3 46.0 -51.2 -48.3 22.1 11.3 -1.8 116 116 A N H > S+ 0 0 96 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.911 112.6 49.2 -66.0 -37.4 22.7 10.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.850 108.8 55.1 -65.5 -40.4 26.1 8.6 -4.6 118 118 A M H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.924 104.6 53.3 -62.4 -42.4 24.5 6.7 -1.8 119 119 A R H X S+ 0 0 154 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.911 110.7 46.4 -56.5 -44.0 21.8 5.3 -4.1 120 120 A M H <>S+ 0 0 38 -4,-1.6 5,-2.4 1,-0.2 4,-0.3 0.850 109.9 55.3 -66.6 -37.3 24.5 4.1 -6.5 121 121 A M H ><5S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.915 106.2 49.5 -60.5 -44.3 26.3 2.7 -3.6 122 122 A Q H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.897 109.1 52.8 -61.3 -33.2 23.2 0.8 -2.6 123 123 A Q T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.424 114.3-120.5 -78.9 -1.1 23.0 -0.5 -6.2 124 124 A K T < 5 + 0 0 101 -3,-1.7 2,-1.5 -4,-0.3 3,-0.2 0.720 65.1 144.2 65.0 28.3 26.6 -1.6 -6.0 125 125 A R >< + 0 0 108 -5,-2.4 4,-2.0 1,-0.2 -1,-0.2 -0.658 20.1 169.4 -94.6 76.9 27.6 0.6 -8.9 126 126 A W H > + 0 0 39 -2,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.847 64.9 48.8 -63.4 -44.8 31.0 1.5 -7.4 127 127 A D H > S+ 0 0 103 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 113.3 47.4 -68.9 -33.7 32.7 3.2 -10.2 128 128 A E H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 110.0 51.5 -72.8 -39.7 29.9 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.856 107.6 55.3 -60.3 -36.1 29.4 6.4 -7.4 130 130 A A H X S+ 0 0 8 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.925 109.7 46.0 -64.3 -41.1 33.2 7.2 -7.2 131 131 A V H >X S+ 0 0 99 -4,-1.6 3,-0.9 1,-0.2 4,-0.8 0.965 113.5 48.7 -66.1 -51.9 32.8 9.6 -10.1 132 132 A N H >< S+ 0 0 31 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.901 106.9 55.9 -55.1 -48.3 29.7 11.2 -8.6 133 133 A M H 3< S+ 0 0 2 -4,-2.8 6,-0.3 -5,-0.2 -1,-0.3 0.846 98.4 61.6 -57.8 -29.3 31.3 11.6 -5.2 134 134 A A H << S+ 0 0 28 -4,-1.1 2,-2.0 -3,-0.9 -1,-0.2 0.754 85.5 79.9 -69.7 -21.8 34.3 13.6 -6.7 135 135 A K S << S+ 0 0 166 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 -0.520 81.5 97.7 -79.8 64.6 31.9 16.2 -7.9 136 136 A S S > S- 0 0 19 -2,-2.0 4,-2.0 1,-0.1 5,-0.1 -0.986 84.5-116.6-153.9 161.3 31.6 17.8 -4.5 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.873 114.4 61.3 -63.1 -39.7 32.9 20.6 -2.3 138 138 A W H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.909 106.0 42.9 -52.6 -51.3 34.3 17.9 -0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.4 52.1 -66.3 -41.6 36.5 16.5 -2.8 140 140 A N H < S+ 0 0 104 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 114.2 42.2 -61.8 -40.3 37.6 20.0 -3.9 141 141 A Q H < S+ 0 0 92 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 131.0 19.4 -74.0 -39.1 38.5 21.1 -0.3 142 142 A T S X S+ 0 0 25 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 -0.684 73.5 165.0-132.9 71.7 40.4 18.0 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 69.3 50.3 -60.6 -48.4 41.3 16.1 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.928 115.9 43.8 -63.2 -39.2 43.9 13.6 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.944 113.8 51.3 -65.0 -49.8 41.6 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.927 108.4 51.4 -57.5 -43.4 38.7 12.4 -0.4 147 147 A K H X S+ 0 0 100 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.890 107.9 52.3 -62.4 -39.1 40.5 10.3 -2.9 148 148 A R H X S+ 0 0 71 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.908 114.1 41.5 -60.1 -47.2 41.6 7.8 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.911 114.3 52.9 -68.3 -42.8 38.0 7.3 1.0 150 150 A I H X S+ 0 0 11 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.929 109.3 49.5 -58.7 -44.1 36.6 7.3 -2.7 151 151 A T H X S+ 0 0 36 -4,-2.7 4,-2.7 -5,-0.2 6,-0.4 0.801 106.6 55.6 -60.9 -38.5 39.1 4.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.3 5,-0.2 0.924 110.3 46.0 -60.9 -46.0 38.1 2.5 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.927 114.2 49.6 -62.0 -44.0 34.5 2.6 -1.8 154 154 A R H < S+ 0 0 81 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.924 123.8 24.0 -62.3 -49.2 35.5 1.8 -5.2 155 155 A T H < S- 0 0 52 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.646 86.9-136.0 -94.6 -22.1 37.7 -1.2 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.2 1,-0.3 -62,-0.2 0.656 73.4 104.7 69.9 20.0 36.3 -2.4 -1.3 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.774 81.4-119.7-119.7 172.1 40.0 -2.9 -0.2 158 158 A W S > S+ 0 0 44 -2,-0.2 3,-2.1 1,-0.2 4,-0.5 0.211 72.0 121.7 -96.0 19.5 42.4 -1.0 2.1 159 159 A D G > + 0 0 97 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.819 66.4 57.6 -52.9 -38.7 44.8 -0.3 -0.7 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.624 106.8 50.3 -71.1 -13.0 44.7 3.5 -0.4 161 161 A Y G < 0 0 18 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.484 360.0 360.0-101.6 -4.8 45.8 3.3 3.2 162 162 A K < 0 0 183 -3,-1.5 -2,-0.1 -4,-0.5 -3,-0.1 0.761 360.0 360.0-100.4 360.0 48.9 1.0 2.7