==== 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 28-JAN-02 1KW7 . 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) . 8660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.5 43.5 -1.9 9.2 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.945 360.0 -80.5-158.4 176.9 40.2 -0.7 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.799 124.2 53.1 -56.8 -40.9 38.2 2.4 11.2 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 113.4 40.7 -63.7 -50.1 40.3 3.6 14.2 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.847 114.5 56.0 -66.1 -36.3 43.6 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.964 111.4 39.8 -62.9 -47.9 42.0 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.824 109.8 59.7 -68.8 -31.6 40.7 7.8 10.9 8 8 A R H X S+ 0 0 101 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.895 108.7 47.7 -65.4 -30.6 43.9 8.3 13.0 9 9 A I H < S+ 0 0 85 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.8 43.7 -71.9 -46.6 45.7 8.4 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.844 125.4 30.1 -69.2 -30.6 43.2 10.9 8.1 11 11 A E H < S- 0 0 43 -4,-2.5 19,-0.3 1,-0.2 -3,-0.2 0.628 91.0-151.9-105.0 -24.6 43.0 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.2 -0.242 24.2 -85.4 76.7-175.9 46.3 13.1 12.9 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.984 42.9 170.7-135.3 128.6 46.8 13.6 16.6 14 14 A R E -A 28 0A 128 14,-1.3 14,-2.8 -2,-0.3 4,-0.1 -0.993 20.1-163.1-142.2 131.0 47.4 17.0 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.468 73.5 63.9 -93.5 -1.3 47.4 17.6 21.9 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.919 100.8 -87.4-119.7 147.2 46.9 21.4 21.9 17 17 A I E + 0 0 24 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.200 59.0 171.3 -48.2 136.2 43.9 23.2 20.5 18 18 A Y E -A 26 0A 33 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.905 35.8-103.4-142.1 168.7 44.4 23.8 16.7 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.847 33.9-139.6 -97.4 136.3 42.4 25.0 13.8 20 20 A D > - 0 0 50 4,-2.9 3,-1.5 -2,-0.5 -1,-0.1 -0.015 42.0 -78.4 -77.1-165.0 41.1 22.5 11.4 21 21 A T T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 135.8 47.3 -73.5 -17.7 41.0 22.8 7.6 22 22 A E T 3 S- 0 0 86 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.367 124.1-104.4 -98.3 -0.4 37.9 25.1 7.8 23 23 A G S < S+ 0 0 34 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.634 74.1 140.6 84.6 19.9 39.6 27.2 10.7 24 24 A Y - 0 0 68 1,-0.0 -4,-2.9 9,-0.0 -1,-0.3 -0.828 60.8-100.8 -95.5 149.6 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.1 11,-0.4 9,-1.6 -0.401 53.5 160.9 -68.1 131.1 39.0 25.0 16.8 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.862 17.1-170.3-143.7 164.8 39.7 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 -12,-0.2 -0.975 52.8 5.9-153.5 166.5 41.9 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.3 -2,-0.3 2,-0.9 -0.414 123.8 -6.7 66.9-133.6 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.636 126.2 -54.1 -99.4 73.1 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.782 84.2 158.1 69.4 27.8 39.8 15.5 14.7 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.5 1,-0.0 -1,-0.2 -0.701 34.9-142.1 -89.5 107.5 37.5 16.3 17.6 32 32 A L E -B 26 0A 68 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.378 18.3-174.9 -67.8 128.1 35.8 19.6 16.7 33 33 A L E - 0 0 13 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.863 60.0 -23.8 -89.6 -48.3 35.3 21.9 19.8 34 34 A T E -B 25 0A 25 -9,-1.6 -9,-0.7 2,-0.1 -1,-0.4 -0.954 34.8-136.7-163.3 155.4 33.4 24.6 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.482 75.3 110.2 -92.9 -2.1 32.5 26.6 15.3 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.405 72.1-133.5 -73.3 148.5 32.9 29.9 17.3 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.551 77.7 105.6 -77.4 -6.2 35.9 32.2 16.5 38 38 A S > - 0 0 42 1,-0.2 4,-2.1 -13,-0.0 -2,-0.1 -0.685 57.2-162.3 -89.6 124.6 36.4 32.5 20.1 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.820 94.2 54.6 -69.3 -29.3 39.2 30.7 21.7 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.925 103.7 53.2 -68.8 -48.0 37.7 31.0 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 111.7 48.9 -55.7 -39.0 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.893 108.4 50.6 -68.2 -43.0 36.7 26.6 22.7 43 43 A K H X S+ 0 0 65 -4,-2.7 4,-2.1 2,-0.2 11,-0.2 0.893 111.5 50.7 -64.6 -30.2 38.7 26.2 25.8 44 44 A S H X S+ 0 0 71 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.941 109.5 48.0 -73.0 -41.6 35.4 26.1 27.7 45 45 A E H X S+ 0 0 66 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.895 110.9 55.1 -65.3 -34.1 34.0 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 5,-0.3 0.942 107.2 46.6 -65.1 -43.5 37.2 21.6 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 5,-1.0 0.895 110.6 53.3 -64.8 -38.9 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 111.1 47.0 -62.6 -37.6 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.877 119.9 37.1 -76.2 -33.1 34.3 17.5 27.5 50 50 A I H <5S- 0 0 34 -4,-2.0 -2,-0.2 2,-0.3 -3,-0.2 0.703 101.7-130.3 -90.2 -28.0 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 1,-0.4 -3,-0.2 0.773 75.6 73.3 81.8 23.5 35.8 17.2 32.8 52 52 A R S - 0 0 10 -2,-0.8 3,-0.8 -11,-0.2 -1,-0.2 0.769 34.1-142.1 -91.9 -33.4 42.9 21.7 30.8 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.823 74.2 -58.5 67.7 30.4 44.1 25.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.498 118.8 100.6 77.0 9.8 43.9 23.9 26.0 57 57 A V B < +C 16 0B 64 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.980 46.2 177.7-127.0 134.7 46.2 20.9 26.5 58 58 A I - 0 0 6 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.901 28.1-108.8-128.5 168.2 45.2 17.2 26.9 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.432 33.5-106.5 -93.4 166.5 47.0 14.0 27.3 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 120.9 53.1 -56.7 -41.2 47.2 11.2 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 107.1 49.7 -61.3 -44.5 44.8 9.1 26.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 110.3 52.0 -60.0 -47.1 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -34,-0.4 0.895 110.6 47.9 -51.9 -50.4 42.6 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.865 108.8 54.9 -63.4 -33.6 42.0 8.6 22.6 65 65 A K H X S+ 0 0 144 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.967 109.1 45.2 -65.5 -48.6 39.0 8.8 24.9 66 66 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.851 111.9 55.6 -56.6 -38.7 37.3 11.6 22.9 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.954 105.1 49.9 -65.2 -45.2 38.1 9.6 19.8 68 68 A N H X S+ 0 0 92 -4,-2.6 4,-2.4 1,-0.3 5,-0.2 0.935 113.1 47.1 -57.5 -45.5 36.4 6.4 20.9 69 69 A Q H X S+ 0 0 99 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.3 0.896 111.0 51.0 -64.3 -40.3 33.4 8.4 21.8 70 70 A D H X S+ 0 0 35 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.879 109.8 49.3 -66.9 -36.3 33.4 10.2 18.6 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.964 112.6 49.7 -65.9 -45.4 33.7 7.0 16.5 72 72 A D H X S+ 0 0 90 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.943 109.4 49.1 -54.8 -50.4 30.8 5.5 18.5 73 73 A A H X S+ 0 0 62 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.851 109.1 54.3 -59.2 -38.2 28.6 8.5 18.0 74 74 A A H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.962 110.9 45.1 -59.1 -50.2 29.3 8.4 14.2 75 75 A V H X S+ 0 0 29 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.967 114.7 48.4 -61.5 -47.8 28.2 4.8 14.0 76 76 A R H X S+ 0 0 139 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.877 107.6 55.3 -64.5 -33.4 25.1 5.4 16.1 77 77 A G H X S+ 0 0 3 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.3 0.907 109.1 47.4 -63.3 -43.7 24.3 8.5 14.0 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.2 -3,-0.3 7,-0.5 0.961 112.0 50.6 -57.8 -51.8 24.3 6.3 10.8 79 79 A L H 3< S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 110.9 48.6 -58.2 -35.4 22.2 3.6 12.5 80 80 A R H 3< S+ 0 0 187 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.576 92.9 94.3 -79.4 -16.9 19.6 6.2 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.4 0.868 98.0 70.3 -93.4 -37.9 21.6 6.0 5.8 85 85 A K H X S+ 0 0 83 -4,-2.8 4,-3.0 -7,-0.5 5,-0.2 0.889 97.2 50.3 -49.3 -49.3 21.1 2.9 7.6 86 86 A P H > S+ 0 0 60 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.894 112.4 50.3 -64.4 -30.0 19.9 0.8 4.7 87 87 A V H > S+ 0 0 4 -4,-0.4 4,-0.5 -3,-0.4 3,-0.4 0.958 112.8 44.6 -65.5 -52.7 22.9 1.9 2.7 88 88 A Y H >< S+ 0 0 29 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.894 111.7 53.2 -58.6 -45.6 25.3 1.1 5.4 89 89 A D H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.780 103.4 59.4 -64.8 -22.1 23.6 -2.2 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.4 2,-0.2 0.604 96.5 77.6 -78.8 -17.4 23.9 -3.2 2.5 91 91 A M S << S- 0 0 7 -3,-1.2 31,-0.0 -4,-0.5 30,-0.0 -0.666 79.1-105.4 -95.9 166.7 27.7 -2.9 2.3 92 92 A D > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.140 45.5 -94.1 -77.0 169.2 30.7 -5.0 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.810 121.0 50.8 -58.5 -39.1 32.9 -4.1 6.3 94 94 A V H > S+ 0 0 25 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.912 112.0 47.0 -67.2 -44.2 35.5 -2.1 4.5 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.837 106.8 57.7 -69.0 -32.5 33.0 0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.904 103.3 54.4 -59.6 -38.5 31.1 0.6 5.9 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.879 104.7 54.3 -63.4 -37.2 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.893 108.2 49.7 -62.2 -37.0 34.5 4.5 4.5 99 99 A M H X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.879 108.7 51.3 -71.5 -37.4 31.0 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.935 106.2 55.3 -63.4 -44.9 31.9 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 109.0 48.4 -53.5 -47.8 35.0 8.2 8.0 102 102 A M H X S+ 0 0 7 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.913 113.0 45.2 -57.9 -49.6 32.8 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 110.8 55.4 -63.7 -38.9 30.1 11.0 8.7 104 104 A F H < S+ 0 0 32 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 116.4 37.4 -58.3 -40.3 32.9 11.5 11.2 105 105 A Q H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.896 132.9 20.2 -78.3 -44.2 34.3 14.3 9.1 106 106 A M H X S- 0 0 42 -4,-2.9 4,-1.3 -5,-0.2 -3,-0.2 0.444 101.0-120.7-114.5 -5.4 31.2 16.0 7.8 107 107 A G H X - 0 0 25 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.170 34.7 -77.3 78.8 161.1 28.5 15.0 10.0 108 108 A E H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.835 132.3 57.0 -63.4 -38.5 25.4 13.2 9.3 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.963 108.2 44.0 -54.0 -61.4 24.0 16.4 8.0 110 110 A G H >< S+ 0 0 28 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.899 117.9 46.4 -56.1 -46.0 26.9 16.8 5.4 111 111 A V H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.891 98.8 65.0 -66.1 -43.4 26.7 13.1 4.4 112 112 A A H 3< S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.696 92.1 69.3 -56.4 -15.2 23.0 12.8 4.1 113 113 A G T << S+ 0 0 64 -3,-0.8 -1,-0.3 -4,-0.7 3,-0.2 0.255 78.4 78.9 -84.1 9.2 23.5 15.4 1.0 114 114 A F <> + 0 0 27 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 -0.189 57.3 144.5-108.2 40.9 25.2 12.7 -1.1 115 115 A T H > + 0 0 82 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.874 68.0 47.1 -49.6 -47.2 21.8 11.3 -1.9 116 116 A N H > S+ 0 0 99 -3,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.911 113.2 46.6 -66.4 -40.6 22.6 10.3 -5.4 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.832 111.2 55.0 -66.9 -36.8 26.0 8.7 -4.5 118 118 A L H X S+ 0 0 14 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.909 106.3 49.8 -63.3 -44.0 24.2 6.8 -1.6 119 119 A R H X S+ 0 0 135 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.954 111.7 49.4 -61.6 -39.5 21.7 5.4 -3.9 120 120 A M H <>S+ 0 0 26 -4,-1.7 5,-2.4 1,-0.2 -2,-0.2 0.865 109.5 51.5 -64.4 -41.6 24.5 4.2 -6.2 121 121 A L H ><5S+ 0 0 4 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.908 107.0 54.3 -61.1 -42.9 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.865 109.4 47.4 -64.3 -27.1 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 68 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.437 114.0-119.8 -87.6 -1.7 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-2.2 2,-1.4 1,-0.2 -3,-0.2 0.690 63.7 144.3 66.9 32.9 26.7 -1.5 -5.8 125 125 A R >< + 0 0 118 -5,-2.4 4,-2.0 1,-0.2 -1,-0.2 -0.691 21.5 170.9-100.5 77.4 27.6 0.7 -8.7 126 126 A W H > + 0 0 45 -2,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.850 66.6 47.3 -59.6 -52.9 31.0 1.5 -7.3 127 127 A D H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 114.1 48.8 -63.9 -37.3 32.7 3.3 -10.1 128 128 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 110.5 50.5 -67.8 -38.9 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.932 107.7 55.3 -63.1 -40.9 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 8 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.912 110.2 45.2 -60.2 -41.2 33.1 7.2 -7.1 131 131 A V H X S+ 0 0 92 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.910 112.9 48.6 -69.8 -48.5 32.7 9.6 -9.9 132 132 A N H >< S+ 0 0 42 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.877 108.4 55.1 -58.3 -40.3 29.6 11.2 -8.5 133 133 A M H 3< S+ 0 0 1 -4,-3.1 6,-0.4 1,-0.2 -1,-0.2 0.816 98.6 62.7 -65.8 -26.4 31.2 11.7 -5.1 134 134 A A H 3< S+ 0 0 31 -4,-1.1 2,-1.6 -3,-0.3 -1,-0.2 0.690 85.6 78.8 -69.1 -22.3 34.1 13.5 -6.7 135 135 A K S << S+ 0 0 165 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.525 80.6 96.3 -82.3 66.6 31.7 16.3 -7.8 136 136 A S S > S- 0 0 19 -2,-1.6 4,-1.9 1,-0.1 5,-0.1 -0.995 85.4-115.7-153.8 158.9 31.5 17.9 -4.4 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.893 114.9 64.4 -63.7 -36.3 32.9 20.7 -2.4 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.939 104.2 43.6 -48.2 -49.9 34.3 17.9 -0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.4 50.6 -67.7 -42.6 36.5 16.6 -2.9 140 140 A N H < S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 115.9 41.0 -62.1 -36.9 37.6 20.1 -3.9 141 141 A Q H < S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.818 131.9 19.5 -82.0 -42.7 38.6 21.2 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.637 73.9 162.0-128.9 72.4 40.3 18.0 0.9 143 143 A P H > + 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.834 68.8 51.1 -61.8 -41.6 41.1 16.2 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.957 116.3 41.5 -67.7 -39.4 43.8 13.8 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.923 114.0 52.2 -66.3 -49.5 41.6 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 5,-0.2 0.901 109.4 50.8 -55.4 -43.7 38.5 12.4 -0.3 147 147 A K H X S+ 0 0 88 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.834 107.3 53.1 -60.1 -40.6 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 71 -4,-1.5 4,-1.1 2,-0.2 12,-0.2 0.895 114.8 40.6 -61.6 -42.9 41.5 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 114.0 53.2 -72.1 -43.9 37.9 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.917 108.6 49.9 -58.2 -42.7 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 45 -4,-2.2 4,-2.8 -5,-0.2 6,-0.4 0.847 106.9 56.6 -64.0 -32.2 39.1 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.917 110.8 42.3 -66.6 -43.6 38.0 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 114.9 51.8 -67.8 -41.9 34.4 2.7 -1.7 154 154 A R H < S+ 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.923 123.8 24.5 -58.9 -48.7 35.4 2.0 -5.2 155 155 A T H < S- 0 0 46 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.591 84.9-134.0 -95.2 -22.9 37.6 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.2 1,-0.3 -62,-0.2 0.672 75.5 101.7 71.5 15.1 36.3 -2.6 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.766 79.4-123.2-127.6 174.5 40.0 -2.8 -0.0 158 158 A W S > S+ 0 0 42 -2,-0.2 3,-2.6 1,-0.2 4,-0.5 0.215 70.7 120.5 -97.7 15.6 42.4 -0.8 2.2 159 159 A D G > + 0 0 91 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.784 66.9 58.5 -55.9 -30.9 44.9 -0.1 -0.5 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.612 106.1 52.1 -73.9 -14.3 44.7 3.6 -0.4 161 161 A Y G < 0 0 20 -3,-2.6 -1,-0.3 -13,-0.1 -2,-0.2 0.492 360.0 360.0-100.6 1.2 45.7 3.4 3.2 162 162 A K < 0 0 185 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.1 0.747 360.0 360.0-107.9 360.0 48.9 1.2 2.7