==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CU6 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 3 0 0 1 2 0 0 1 1 1 0 0 0 0 0 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 144.0 43.4 -2.0 9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.4 92,-0.0 5,-0.2 -0.841 360.0 -86.6-139.1 179.2 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.884 123.1 51.7 -51.5 -43.3 38.1 2.4 11.3 4 4 A F H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 112.0 43.1 -64.0 -53.9 40.3 3.7 14.1 5 5 A E H > S+ 0 0 102 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.907 116.4 51.8 -65.8 -30.7 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.949 112.3 41.1 -68.0 -52.3 41.9 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 5,-0.3 0.833 109.8 61.1 -65.7 -32.3 40.5 7.8 10.9 8 8 A R H X S+ 0 0 96 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.842 107.6 47.0 -61.5 -30.6 43.8 8.2 12.9 9 9 A I H < S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.861 115.8 42.2 -74.0 -45.6 45.5 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.896 123.4 35.5 -74.9 -26.7 43.1 11.0 8.2 11 11 A E H < S- 0 0 37 -4,-2.8 19,-0.5 -5,-0.2 -1,-0.2 0.664 90.6-150.6-100.1 -28.7 42.6 13.1 11.2 12 12 A G < - 0 0 23 -4,-1.3 2,-0.4 -5,-0.3 18,-0.1 -0.009 20.4 -93.7 91.2-169.4 46.0 13.3 12.9 13 13 A L + 0 0 40 16,-0.2 2,-0.4 17,-0.1 16,-0.2 -0.989 39.6 172.2-156.7 118.7 46.6 13.7 16.6 14 14 A R E -A 28 0A 144 14,-1.6 14,-3.1 -2,-0.4 4,-0.1 -0.994 21.0-164.1-134.7 118.7 47.2 17.0 18.4 15 15 A L E S+ 0 0 64 -2,-0.4 43,-3.1 12,-0.2 2,-0.3 0.468 74.8 63.8 -75.6 -9.4 47.5 17.5 22.0 16 16 A K E S-C 57 0B 98 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.875 100.4 -86.7-118.0 142.1 47.0 21.3 21.9 17 17 A I E + 0 0 19 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.243 58.0 174.3 -45.8 142.8 44.0 23.3 20.7 18 18 A Y E -A 26 0A 31 8,-3.8 8,-4.1 -4,-0.1 2,-0.4 -0.929 34.9-114.7-141.4 169.4 44.3 23.8 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.891 34.4-138.1-106.2 128.1 42.2 25.3 13.9 20 20 A D > - 0 0 50 4,-1.8 3,-1.1 -2,-0.4 -1,-0.1 0.176 42.3 -79.4 -66.3 176.8 41.1 22.6 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.667 135.6 53.0 -50.6 -29.1 41.2 23.1 7.5 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.263 123.2-104.9 -90.8 -5.5 37.9 25.0 8.0 23 23 A G S < S+ 0 0 36 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.598 72.5 145.8 93.2 4.3 39.3 27.2 10.6 24 24 A Y - 0 0 81 1,-0.1 -4,-1.8 -5,-0.0 2,-0.6 -0.514 57.5-107.0 -80.1 137.6 37.5 25.4 13.6 25 25 A Y E +AB 19 34A 34 9,-1.0 8,-3.9 11,-0.4 9,-1.2 -0.579 53.6 167.9 -60.2 122.7 38.9 25.0 17.0 26 26 A T E -AB 18 32A 3 -8,-4.1 -8,-3.8 -2,-0.6 2,-0.3 -0.884 17.8-174.2-134.1 158.8 39.9 21.3 17.2 27 27 A I E > - B 0 31A 0 4,-1.7 4,-1.6 -2,-0.3 -12,-0.2 -0.982 51.1 -3.2-148.4 161.4 41.9 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-3.1 -14,-1.6 -2,-0.3 2,-0.9 -0.380 121.5 -3.7 70.7-135.5 43.1 15.4 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -17,-0.2 -16,-0.2 -16,-0.2 -0.714 128.6 -51.6 -99.9 71.8 42.0 13.1 16.9 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-0.9 -19,-0.5 -2,-0.2 0.569 85.1 160.7 66.6 28.5 39.8 15.3 14.8 31 31 A H E < -B 27 0A 31 -4,-1.6 -4,-1.7 32,-0.1 -1,-0.2 -0.444 31.0-147.2 -86.6 108.1 37.6 16.4 17.8 32 32 A L E -B 26 0A 69 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.417 16.0-175.5 -72.3 122.7 35.8 19.6 16.8 33 33 A L E - 0 0 13 -8,-3.9 2,-0.3 1,-0.4 -7,-0.2 0.829 58.6 -30.5 -87.8 -43.5 35.3 21.8 19.8 34 34 A T E -B 25 0A 30 -9,-1.2 -9,-1.0 2,-0.1 -1,-0.4 -0.865 36.0-137.0-164.3 153.3 33.2 24.7 18.5 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.558 72.7 117.6 -96.1 -3.8 32.7 26.5 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.244 71.3-132.0 -56.0 152.1 32.8 29.7 17.4 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.651 78.3 103.7 -76.8 -19.8 35.6 32.2 16.7 38 38 A S > - 0 0 51 1,-0.1 4,-2.3 2,-0.0 3,-0.1 -0.584 57.0-162.0 -69.9 126.5 36.3 32.4 20.4 39 39 A L H > S+ 0 0 72 -2,-0.5 4,-1.6 1,-0.3 5,-0.1 0.766 97.4 53.3 -73.9 -28.3 39.3 30.6 21.9 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.891 103.0 54.0 -72.2 -46.6 37.8 30.9 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 109.7 53.6 -51.3 -43.1 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.844 108.0 44.8 -49.8 -56.6 37.0 26.6 22.8 43 43 A K H X S+ 0 0 44 -4,-1.6 4,-2.7 2,-0.2 11,-0.2 0.884 111.3 55.1 -73.2 -30.9 38.7 25.9 26.1 44 44 A S H X S+ 0 0 76 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.960 108.8 45.9 -61.0 -54.9 35.5 26.0 27.9 45 45 A E H X S+ 0 0 65 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.961 113.5 53.0 -58.2 -34.6 34.0 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.4 0.946 107.2 48.7 -66.6 -42.3 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 32 -4,-2.7 4,-2.6 1,-0.3 5,-1.1 0.909 112.1 51.3 -64.0 -36.3 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.864 110.1 47.4 -67.6 -39.9 33.5 20.4 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.822 120.4 38.0 -75.1 -29.5 34.3 17.4 27.5 50 50 A I H <5S- 0 0 37 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.678 99.2-129.8 -93.2 -34.6 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.2 0.776 74.1 77.9 91.5 26.9 36.0 17.1 32.9 52 52 A R S - 0 0 10 -2,-1.0 3,-0.9 -11,-0.2 -1,-0.2 0.719 32.8-145.7 -83.0 -42.2 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 121 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.940 75.0 -63.8 59.8 36.9 44.2 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.572 113.4 107.4 69.2 17.0 43.8 23.8 26.1 57 57 A V B < -C 16 0B 64 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.978 44.1-179.0-131.0 136.2 46.1 21.0 26.5 58 58 A I - 0 0 5 -43,-3.1 2,-0.2 -2,-0.4 -30,-0.1 -0.818 23.1-111.5-127.6 167.3 45.3 17.2 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.567 30.5-109.5 -90.7 168.5 46.9 14.0 27.2 60 60 A K H > S+ 0 0 110 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.862 120.4 49.2 -54.7 -50.4 47.2 11.1 24.8 61 61 A D H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.868 110.1 51.6 -61.3 -39.4 44.9 9.0 26.7 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.947 108.7 50.9 -63.1 -41.0 42.4 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -34,-0.4 0.903 111.9 48.4 -61.9 -45.8 42.6 12.3 23.1 64 64 A E H X S+ 0 0 78 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.860 108.5 54.1 -65.8 -28.9 42.0 8.6 22.7 65 65 A K H X S+ 0 0 140 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.959 109.4 44.3 -72.3 -43.8 39.1 8.7 24.9 66 66 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.938 112.4 58.9 -59.7 -34.0 37.4 11.5 23.0 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.948 104.1 46.5 -59.0 -57.2 38.3 9.5 19.9 68 68 A N H X S+ 0 0 93 -4,-3.1 4,-2.0 1,-0.2 -1,-0.3 0.872 114.1 49.7 -53.8 -44.3 36.5 6.3 21.0 69 69 A Q H X S+ 0 0 100 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.872 110.6 49.1 -63.6 -42.2 33.4 8.4 21.9 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.889 109.8 49.5 -68.8 -27.7 33.4 10.2 18.7 71 71 A V H >X S+ 0 0 9 -4,-3.0 4,-2.6 2,-0.2 3,-0.5 0.975 113.0 50.4 -70.2 -39.6 33.7 7.0 16.6 72 72 A D H 3X S+ 0 0 71 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.926 110.3 49.5 -56.8 -43.9 30.8 5.6 18.7 73 73 A A H 3X S+ 0 0 52 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.749 107.7 51.9 -70.9 -35.1 28.8 8.6 18.1 74 74 A A H < S+ 0 0 0 -4,-2.4 3,-1.0 -3,-0.3 7,-0.5 0.943 112.6 48.4 -59.2 -44.8 24.6 6.3 10.9 79 79 A L H 3< S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.929 111.5 51.5 -81.9 -14.6 22.2 3.6 12.5 80 80 A R H 3< S+ 0 0 181 -4,-2.6 2,-0.4 -5,-0.4 -1,-0.3 0.734 91.4 94.2 -89.9 -11.6 19.9 6.2 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.4 0.838 100.6 67.6 -72.5 -54.8 22.3 6.2 6.0 85 85 A K H X S+ 0 0 87 -4,-2.7 4,-3.4 -7,-0.5 5,-0.3 0.922 98.0 52.3 -36.0 -45.7 21.3 3.0 7.7 86 86 A P H > S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.908 111.7 46.1 -67.1 -34.2 20.2 1.2 4.5 87 87 A V H 4 S+ 0 0 5 -4,-0.5 4,-0.4 -3,-0.4 -2,-0.2 0.903 113.1 49.6 -70.6 -52.6 23.4 2.0 2.8 88 88 A Y H >< S+ 0 0 36 -4,-2.4 3,-1.4 2,-0.2 -1,-0.2 0.928 111.4 49.1 -53.6 -41.7 25.5 1.0 5.8 89 89 A D H 3< S+ 0 0 71 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.1 0.937 108.8 54.7 -71.3 -22.9 23.6 -2.3 6.1 90 90 A S T 3< S+ 0 0 37 -4,-2.0 -1,-0.3 -5,-0.3 2,-0.2 0.604 97.0 86.4 -76.7 -14.4 24.0 -3.0 2.5 91 91 A A S < S- 0 0 13 -3,-1.4 2,-0.0 -4,-0.4 31,-0.0 -0.634 75.0-116.3-101.8 163.6 27.7 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.168 46.4 -91.7 -80.0 174.4 30.7 -4.9 3.2 93 93 A A H > S+ 0 0 78 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.856 121.3 48.3 -64.4 -39.2 33.0 -4.1 6.1 94 94 A V H > S+ 0 0 26 1,-0.2 4,-2.0 62,-0.2 -1,-0.3 0.921 112.0 48.1 -68.7 -42.8 35.5 -2.0 4.3 95 95 A R H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.767 104.7 60.2 -69.4 -25.8 33.0 0.1 2.7 96 96 A R H X S+ 0 0 81 -4,-1.7 4,-2.3 2,-0.2 3,-0.2 0.970 104.7 53.4 -60.0 -46.5 31.1 0.5 6.1 97 97 A A H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.883 105.4 51.0 -51.5 -50.1 34.4 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.898 109.4 51.0 -61.0 -36.8 34.5 4.5 4.6 99 99 A L H X S+ 0 0 3 -4,-1.5 4,-1.8 -3,-0.2 -1,-0.2 0.929 108.5 51.4 -64.5 -44.5 31.0 5.6 5.4 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-4.2 1,-0.2 5,-0.3 0.930 106.4 56.2 -57.2 -38.7 31.8 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.919 107.1 47.4 -60.2 -42.0 34.8 8.2 8.1 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 5,-0.4 0.844 112.5 50.2 -65.7 -38.6 32.7 10.6 6.1 103 103 A V H X S+ 0 0 7 -4,-1.8 4,-2.1 3,-0.2 -2,-0.2 0.923 109.0 50.6 -73.0 -30.2 30.2 10.8 9.0 104 104 A F H < S+ 0 0 32 -4,-4.2 -2,-0.2 1,-0.2 -1,-0.2 0.930 117.3 41.0 -72.2 -45.6 32.9 11.5 11.4 105 105 A Q H < S+ 0 0 61 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.868 132.3 18.5 -56.1 -51.0 34.3 14.4 9.1 106 106 A M H < S- 0 0 50 -4,-2.5 4,-0.4 -5,-0.2 -3,-0.2 0.810 102.5-111.7-120.0 -0.7 31.0 15.8 8.0 107 107 A G X - 0 0 31 -4,-2.1 4,-2.8 -5,-0.4 5,-0.2 -0.032 35.2 -82.7 82.1 150.1 28.3 14.8 10.3 108 108 A E H > S+ 0 0 59 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.939 131.0 50.3 -48.3 -51.4 25.3 12.6 9.7 109 109 A T H > S+ 0 0 109 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 106.8 53.4 -55.3 -52.6 23.5 15.6 8.2 110 110 A G H 4 S+ 0 0 32 -4,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.898 115.9 40.0 -43.6 -53.0 26.3 16.4 5.9 111 111 A V H >< S+ 0 0 0 -4,-2.8 3,-2.7 1,-0.2 -2,-0.2 0.861 103.5 62.8 -79.0 -38.3 26.4 12.9 4.6 112 112 A A H 3< S+ 0 0 9 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 94.5 72.9 -53.6 -27.3 22.7 12.2 4.4 113 113 A G T 3< S+ 0 0 55 -4,-1.4 2,-2.2 -3,-0.3 3,-0.3 0.608 72.4 83.4 -50.9 -28.5 22.9 15.1 1.9 114 114 A F <> + 0 0 41 -3,-2.7 4,-2.9 1,-0.2 5,-0.4 -0.250 55.8 161.0 -85.2 53.9 24.6 13.0 -0.8 115 115 A T H > S+ 0 0 86 -2,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.880 70.1 39.8 -42.6 -47.3 21.3 11.5 -2.1 116 116 A N H > S+ 0 0 94 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.872 113.9 51.6 -78.7 -36.7 22.5 10.4 -5.3 117 117 A S H > S+ 0 0 2 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 110.2 53.0 -59.5 -41.3 25.8 9.0 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.870 107.1 47.8 -63.5 -40.3 24.1 7.1 -1.5 119 119 A R H X S+ 0 0 123 -4,-1.4 4,-2.5 -5,-0.4 -1,-0.2 0.932 111.2 55.3 -67.8 -37.6 21.6 5.4 -3.8 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.2 2,-0.2 -2,-0.2 0.890 108.8 44.8 -57.6 -46.1 24.6 4.6 -6.0 121 121 A L H ><5S+ 0 0 6 -4,-2.0 3,-2.0 3,-0.2 -1,-0.2 0.928 109.0 57.5 -67.6 -39.6 26.5 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.941 107.7 46.7 -58.0 -45.3 23.4 1.1 -2.2 123 123 A Q T 3<5S- 0 0 88 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.443 111.3-121.9 -65.6 -13.2 23.2 -0.3 -5.8 124 124 A K T < 5 + 0 0 96 -3,-2.0 2,-1.1 -4,-0.2 -3,-0.2 0.791 61.9 148.0 61.9 40.2 26.9 -1.3 -5.7 125 125 A R >< + 0 0 120 -5,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.637 20.3 173.0 -98.6 71.5 27.6 0.9 -8.8 126 126 A W H > + 0 0 52 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.846 67.5 47.7 -53.4 -44.5 31.1 1.6 -7.4 127 127 A D H > S+ 0 0 115 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.944 113.8 47.6 -74.9 -34.0 32.6 3.5 -10.4 128 128 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.873 109.8 51.9 -72.5 -31.8 29.6 5.6 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-4.4 1,-0.2 5,-0.3 0.893 104.7 56.0 -67.5 -37.5 29.5 6.5 -7.3 130 130 A A H X S+ 0 0 12 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.836 107.5 47.3 -65.3 -37.8 32.9 7.5 -7.1 131 131 A V H X S+ 0 0 90 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.2 0.890 114.6 48.2 -75.0 -32.0 32.6 10.0 -9.9 132 132 A N H >< S+ 0 0 36 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.914 107.0 54.9 -71.3 -46.5 29.5 11.4 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-4.4 6,-0.4 1,-0.2 -1,-0.2 0.863 101.7 62.5 -51.2 -27.1 31.1 11.6 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-0.9 2,-1.7 -5,-0.3 -1,-0.2 0.867 83.2 77.0 -72.9 -21.2 33.8 13.7 -6.5 135 135 A K S << S+ 0 0 158 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.2 -0.629 79.8 100.2 -91.8 77.5 31.6 16.6 -7.6 136 136 A S S > S- 0 0 21 -2,-1.7 4,-2.5 1,-0.1 5,-0.1 -0.965 84.1-117.0-157.5 150.3 31.3 18.1 -4.2 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.874 115.0 64.1 -59.9 -43.5 32.7 20.9 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-3.4 2,-0.2 3,-0.4 0.988 107.2 41.9 -45.1 -50.6 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.907 114.8 48.4 -64.0 -51.4 36.3 16.8 -2.7 140 140 A N H < S+ 0 0 105 -4,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 0.737 117.5 42.5 -66.6 -24.3 37.3 20.1 -3.9 141 141 A Q H < S+ 0 0 104 -4,-2.5 -2,-0.2 -3,-0.4 -3,-0.2 0.855 131.4 21.0 -85.1 -32.8 38.3 21.3 -0.2 142 142 A T S X S+ 0 0 22 -4,-3.4 4,-2.5 -5,-0.3 -1,-0.2 -0.665 75.0 162.5-131.7 58.2 40.0 18.2 0.9 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.847 71.1 47.2 -52.8 -39.6 41.0 16.4 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.3 3,-0.2 5,-0.1 0.927 117.1 43.0 -73.3 -41.1 43.6 13.9 -0.9 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.956 116.1 49.3 -60.4 -51.7 41.4 12.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.8 1,-0.3 5,-0.3 0.946 108.0 53.1 -51.0 -59.1 38.4 12.6 -0.3 147 147 A K H X S+ 0 0 95 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.875 109.3 51.9 -44.2 -38.9 40.4 10.6 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.3 4,-1.5 -3,-0.3 -1,-0.2 0.901 112.4 43.8 -62.8 -50.3 41.2 8.1 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.862 114.5 48.7 -63.4 -51.6 37.7 7.7 0.9 150 150 A I H X S+ 0 0 13 -4,-3.8 4,-2.7 -5,-0.2 -2,-0.2 0.893 109.7 52.3 -59.2 -42.4 36.4 7.4 -2.7 151 151 A T H X S+ 0 0 40 -4,-2.4 4,-3.1 -5,-0.3 6,-0.3 0.895 106.8 54.1 -54.9 -46.2 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.870 109.9 46.3 -58.3 -39.3 38.0 2.8 -0.7 153 153 A F H < S+ 0 0 7 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.914 115.4 48.7 -67.6 -36.5 34.4 2.9 -1.9 154 154 A R H < S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.990 124.2 25.5 -68.0 -53.4 35.5 2.0 -5.3 155 155 A T H < S- 0 0 41 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.544 85.4-138.2 -83.6 -31.0 37.7 -0.8 -4.5 156 156 A G S < S+ 0 0 15 -4,-1.7 2,-0.2 -5,-0.3 -62,-0.2 0.697 72.7 96.2 67.7 28.5 36.4 -2.2 -1.3 157 157 A T S S- 0 0 51 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.2 -0.822 83.3-112.7-132.5 177.1 40.0 -2.6 -0.0 158 158 A W S >> S+ 0 0 44 -2,-0.2 3,-3.6 1,-0.2 4,-0.6 0.303 72.9 119.8 -97.0 15.5 42.4 -0.7 2.1 159 159 A D T 34 + 0 0 96 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.631 68.0 59.8 -47.7 -37.3 44.9 0.1 -0.6 160 160 A A T 34 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.492 109.8 43.7 -71.7 -23.2 44.6 3.8 -0.3 161 161 A Y T <4 0 0 20 -3,-3.6 -1,-0.2 -13,-0.1 -2,-0.2 0.448 360.0 360.0-101.2 3.2 45.7 3.6 3.1 162 162 A K < 0 0 176 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.1 0.867 360.0 360.0 -94.1 360.0 48.6 1.2 2.7