==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-97 246L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 7.3 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 2 1 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, 0.0 161,-0.0 0.000 360.0 360.0 360.0 156.8 43.3 -2.0 9.0 2 2 A N > - 0 0 70 1,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.904 360.0 -92.1-142.8 171.2 40.3 -0.7 11.0 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.854 122.3 52.7 -53.9 -40.4 38.2 2.4 11.3 4 4 A F H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.944 111.2 44.3 -65.6 -47.7 40.4 3.7 14.1 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.891 112.9 54.7 -65.1 -32.6 43.6 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.2 0.970 110.3 43.3 -63.1 -53.0 41.9 4.9 9.2 7 7 A L H X>S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 5,-0.6 0.832 108.3 60.4 -64.4 -28.3 40.8 8.0 11.1 8 8 A R H X5S+ 0 0 107 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.931 108.1 44.1 -66.3 -35.3 44.1 8.2 12.7 9 9 A I H <5S+ 0 0 55 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.930 118.5 42.9 -72.3 -43.2 45.6 8.6 9.3 10 10 A D H <5S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.840 127.3 26.7 -72.9 -38.2 43.0 11.0 8.0 11 11 A E H <5S- 0 0 43 -4,-2.7 19,-0.4 -5,-0.2 -3,-0.2 0.627 94.5-149.2 -98.7 -22.5 42.7 13.3 11.0 12 12 A G << - 0 0 24 -4,-1.4 2,-0.4 -5,-0.6 -1,-0.2 -0.244 26.1 -83.3 77.4-172.4 46.2 12.9 12.6 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 46.3 172.7-136.6 115.2 46.7 13.2 16.4 14 14 A R E -A 28 0A 150 14,-1.4 14,-2.6 -2,-0.4 4,-0.1 -0.996 19.0-166.6-130.3 123.5 47.2 16.6 18.2 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.406 73.7 62.3 -87.4 -2.0 47.3 17.0 21.9 16 16 A K E S-C 57 0B 88 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.919 100.7 -86.0-124.0 151.2 46.9 20.8 21.8 17 17 A I E + 0 0 16 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.257 58.0 169.7 -55.2 137.3 43.9 22.8 20.5 18 18 A Y E -A 26 0A 22 8,-3.0 8,-3.4 -4,-0.1 2,-0.5 -0.913 35.9-106.6-143.9 171.6 44.2 23.4 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.870 33.4-144.0-104.0 132.3 42.3 24.8 13.8 20 20 A D > - 0 0 51 4,-2.7 3,-2.0 -2,-0.5 -1,-0.1 -0.061 42.6 -73.4 -78.7-166.6 41.1 22.2 11.3 21 21 A T T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.705 134.8 47.0 -62.5 -24.9 40.8 22.7 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.314 122.8-103.2 -97.4 1.9 37.8 25.0 7.9 23 23 A G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.664 74.4 139.9 85.4 22.2 39.4 27.1 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.820 59.9-102.2-103.6 148.6 37.5 25.6 13.6 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-2.8 11,-0.4 9,-1.3 -0.382 54.6 158.5 -68.0 128.3 38.9 24.8 17.0 26 26 A T E -AB 18 32A 2 -8,-3.4 -8,-3.0 6,-0.3 2,-0.3 -0.889 19.9-163.9-141.0 169.5 39.5 21.1 17.3 27 27 A I E > - B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 -12,-0.2 -0.989 49.8 -0.5-155.4 163.2 41.6 18.7 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.4 -2,-0.3 2,-1.2 -0.393 123.4 -0.9 65.7-130.9 42.9 15.1 19.4 29 29 A I T 4 S- 0 0 14 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.633 128.9 -57.0 -95.4 68.0 41.8 12.9 16.5 30 30 A G T 4 S+ 0 0 16 -2,-1.2 2,-1.0 -19,-0.4 -2,-0.2 0.764 82.9 162.6 69.3 25.4 39.7 15.4 14.7 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.7 -20,-0.1 -1,-0.2 -0.679 32.2-142.0 -83.3 102.2 37.4 16.1 17.6 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.352 21.0-178.4 -61.7 130.2 35.6 19.4 16.7 33 33 A L E - 0 0 16 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.864 58.9 -20.3 -95.5 -46.9 35.2 21.6 19.7 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.969 35.5-141.4-162.6 152.0 33.3 24.6 18.5 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.348 74.3 112.3 -95.7 -0.3 32.6 26.5 15.3 36 36 A S S S- 0 0 43 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.540 73.0-131.7 -81.0 139.5 33.0 29.7 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.473 75.8 100.9 -66.9 -7.2 35.9 32.0 16.6 38 38 A S > - 0 0 49 1,-0.1 4,-1.9 -13,-0.0 3,-0.3 -0.784 58.9-155.7 -96.8 127.6 36.8 32.3 20.3 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.7 1,-0.3 -1,-0.1 0.808 97.3 54.7 -62.5 -35.0 39.6 30.4 21.9 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.864 105.1 52.0 -69.7 -35.2 38.0 30.7 25.3 41 41 A A H > S+ 0 0 33 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.927 111.0 49.3 -64.9 -38.7 34.9 29.2 24.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.944 110.6 49.4 -61.2 -47.7 37.1 26.4 22.7 43 43 A K H X S+ 0 0 60 -4,-2.7 4,-2.0 2,-0.2 11,-0.2 0.883 110.0 51.4 -59.2 -40.1 38.8 26.0 26.0 44 44 A S H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.932 110.5 47.6 -65.8 -48.5 35.4 25.9 27.8 45 45 A E H X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.916 110.2 54.3 -61.1 -39.3 34.1 23.2 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.926 109.2 45.4 -59.6 -46.5 37.3 21.2 26.0 47 47 A D H X>S+ 0 0 38 -4,-2.0 4,-2.6 1,-0.2 5,-0.9 0.894 112.8 51.9 -65.1 -37.9 37.1 21.2 29.8 48 48 A K H <5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 112.1 46.4 -64.1 -41.7 33.5 20.3 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.865 121.5 35.6 -66.9 -39.0 34.3 17.4 27.3 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.727 102.4-126.6 -88.3 -31.1 37.3 16.0 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.793 75.9 70.4 88.3 26.0 35.9 16.8 32.8 52 52 A R S - 0 0 7 -2,-1.0 3,-1.1 -11,-0.2 -1,-0.2 0.753 33.2-143.0 -91.5 -29.4 42.9 21.3 30.7 55 55 A N T 3 S- 0 0 126 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.839 74.8 -59.3 66.9 28.9 44.3 24.6 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.544 118.4 96.9 74.2 14.0 43.9 23.5 26.1 57 57 A V B < +C 16 0B 65 -3,-1.1 2,-0.2 -41,-0.2 -41,-0.2 -0.993 45.1 177.4-132.9 140.3 46.0 20.4 26.3 58 58 A I - 0 0 5 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.769 28.1-103.8-132.3 175.5 45.1 16.7 26.8 59 59 A T > - 0 0 65 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.444 33.0-105.6 -96.2 174.3 46.9 13.4 27.0 60 60 A K H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 121.2 52.3 -61.1 -46.9 47.0 10.7 24.4 61 61 A D H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 109.0 49.6 -55.4 -42.0 44.7 8.6 26.4 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 109.0 52.6 -67.7 -39.2 42.2 11.4 26.6 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -34,-0.4 0.925 110.4 48.0 -62.7 -42.0 42.4 11.9 22.8 64 64 A E H X S+ 0 0 77 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.814 107.3 56.4 -69.5 -27.8 41.7 8.3 22.2 65 65 A K H X S+ 0 0 132 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.960 105.9 49.3 -67.2 -45.3 38.8 8.4 24.6 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.881 110.6 53.3 -58.9 -36.2 37.2 11.2 22.6 67 67 A A H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.895 105.9 50.4 -68.4 -38.9 37.7 9.1 19.5 68 68 A N H X S+ 0 0 87 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.925 113.4 47.9 -62.9 -41.2 36.0 6.1 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.925 112.7 48.0 -61.4 -46.6 33.1 8.3 21.8 70 70 A D H X S+ 0 0 37 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.840 112.2 46.8 -63.3 -41.2 33.0 9.9 18.4 71 71 A V H X S+ 0 0 11 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.958 113.1 50.3 -66.7 -46.5 33.1 6.6 16.4 72 72 A D H X S+ 0 0 103 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.934 111.9 47.5 -57.5 -45.7 30.5 5.1 18.6 73 73 A A H X S+ 0 0 61 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.3 0.860 110.0 52.8 -65.7 -33.0 28.3 8.2 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.960 110.9 47.7 -65.7 -47.6 28.8 8.1 14.3 75 75 A V H X S+ 0 0 31 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.945 113.0 46.0 -57.6 -53.2 27.8 4.5 14.2 76 76 A R H X S+ 0 0 126 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.905 111.6 54.5 -61.1 -35.2 24.6 5.0 16.3 77 77 A G H X S+ 0 0 13 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.924 108.5 47.4 -64.3 -43.9 23.8 8.1 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 7,-0.3 0.923 110.7 52.7 -63.2 -42.5 24.0 6.2 11.0 79 79 A L H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 112.1 45.1 -68.5 -22.0 21.8 3.4 12.5 80 80 A R H 3< S+ 0 0 192 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.441 92.3 95.2 -98.4 -2.9 19.2 5.7 13.5 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.6 -3,-0.2 3,-0.3 0.847 102.9 68.7 -88.0 -35.7 21.9 6.2 6.1 85 85 A K H X S+ 0 0 80 -4,-3.3 4,-3.0 -7,-0.3 5,-0.3 0.940 97.9 49.8 -50.9 -53.6 20.9 3.0 7.7 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.868 112.8 48.7 -58.6 -34.2 19.8 1.1 4.6 87 87 A V H > S+ 0 0 0 -4,-0.4 4,-0.8 -3,-0.3 3,-0.3 0.961 111.9 47.1 -69.3 -50.8 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.914 110.1 53.5 -56.7 -42.2 25.2 1.0 5.7 89 89 A D H 3< S+ 0 0 75 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.837 107.0 53.6 -64.9 -29.0 23.3 -2.3 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.631 96.7 88.0 -80.3 -10.9 23.8 -3.1 2.4 91 91 A L S << S- 0 0 8 -3,-1.1 31,-0.0 -4,-0.8 2,-0.0 -0.558 74.3-116.0 -94.3 164.5 27.6 -2.6 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.191 44.2 -93.2 -79.5 172.3 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 81 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.826 121.6 48.3 -61.5 -38.5 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 2,-0.2 3,-0.5 0.950 113.1 45.5 -68.6 -50.0 35.4 -2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.877 106.1 61.4 -64.1 -32.1 33.0 0.1 2.7 96 96 A R H X S+ 0 0 81 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.906 102.1 53.2 -60.4 -36.0 31.1 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.3 -3,-0.5 -1,-0.2 0.891 104.8 54.9 -67.1 -35.0 34.2 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.886 108.1 48.2 -64.2 -35.2 34.3 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.909 109.8 52.6 -69.7 -39.3 30.8 5.7 5.3 100 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.960 106.9 53.8 -59.9 -46.6 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.909 109.2 47.1 -52.7 -47.7 34.7 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.902 113.5 48.9 -64.8 -40.4 32.5 10.6 6.0 103 103 A V H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.948 110.4 51.0 -62.5 -45.1 30.0 10.8 8.9 104 104 A F H < S+ 0 0 34 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.8 42.2 -58.5 -41.9 32.7 11.5 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.933 131.9 14.9 -74.4 -46.8 34.1 14.3 9.1 106 106 A M H X S- 0 0 56 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.468 103.6-106.7-116.7 3.1 31.0 16.0 8.0 107 107 A G H X - 0 0 31 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.094 33.8 -84.5 87.3 149.6 28.1 14.9 10.2 108 108 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 126.9 52.4 -60.3 -40.0 25.2 12.7 9.5 109 109 A T H > S+ 0 0 125 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.904 108.3 51.0 -62.5 -44.9 23.2 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.957 114.4 43.0 -59.7 -52.4 25.9 16.4 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.903 105.8 61.2 -61.7 -42.1 26.3 12.8 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.703 95.8 66.6 -60.4 -15.7 22.6 12.2 4.2 113 113 A G T << S+ 0 0 54 -3,-1.0 2,-1.5 -4,-0.7 -1,-0.3 0.549 73.8 86.2 -81.6 -10.2 22.6 14.9 1.6 114 114 A F <> + 0 0 41 -3,-2.5 4,-2.7 1,-0.2 5,-0.3 -0.326 57.1 160.1 -87.2 54.4 24.6 12.9 -0.9 115 115 A T H > + 0 0 88 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.839 65.4 43.8 -43.2 -54.9 21.4 11.5 -2.1 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.906 114.0 49.8 -65.8 -41.4 22.5 10.3 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 109.4 53.0 -63.8 -40.1 25.7 8.8 -4.3 118 118 A L H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.875 108.4 50.0 -60.5 -41.1 23.9 7.0 -1.6 119 119 A R H X S+ 0 0 129 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.938 111.9 47.1 -65.5 -44.3 21.6 5.5 -4.1 120 120 A M H <>S+ 0 0 24 -4,-2.3 5,-2.5 2,-0.2 4,-0.5 0.892 111.8 50.8 -66.4 -37.4 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.943 109.1 50.9 -65.3 -42.5 26.3 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.4 50.2 -61.4 -32.6 23.3 1.0 -2.3 123 123 A Q T 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.509 113.5-120.9 -82.1 -5.5 23.0 -0.3 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.6 2,-1.1 -4,-0.5 -3,-0.2 0.785 61.9 148.4 67.2 34.1 26.6 -1.4 -5.8 125 125 A R >< + 0 0 102 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.691 20.0 174.9 -97.5 74.4 27.4 0.8 -8.7 126 126 A W H > S+ 0 0 50 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.868 70.7 42.3 -53.3 -51.1 31.0 1.5 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 115.6 49.3 -70.7 -36.9 32.5 3.4 -10.4 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.912 111.1 50.0 -66.7 -41.1 29.4 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.922 108.2 53.5 -60.8 -42.5 29.3 6.4 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.875 109.3 48.7 -63.8 -35.1 32.9 7.4 -7.1 131 131 A V H < S+ 0 0 95 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.932 114.1 45.3 -69.4 -44.9 32.4 9.8 -10.0 132 132 A N H >< S+ 0 0 33 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.872 107.8 56.8 -67.1 -38.7 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.3 1,-0.2 -1,-0.2 0.860 101.5 59.5 -62.1 -30.7 31.0 11.6 -4.9 134 134 A A T 3< S+ 0 0 26 -4,-1.1 2,-1.5 -5,-0.2 -1,-0.2 0.669 84.8 78.6 -72.8 -14.8 33.8 13.6 -6.5 135 135 A K S < S+ 0 0 158 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.564 81.3 99.6 -91.1 67.3 31.4 16.4 -7.7 136 136 A S S > S- 0 0 16 -2,-1.5 4,-1.9 1,-0.1 3,-0.2 -0.992 85.1-118.3-150.3 154.1 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.871 114.3 64.3 -59.0 -35.8 32.7 20.7 -2.3 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.923 105.0 43.6 -52.3 -47.4 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 63 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 114.7 48.4 -68.7 -40.4 36.3 16.6 -2.8 140 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.822 117.0 41.9 -71.0 -32.1 37.5 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.838 131.8 20.3 -84.1 -37.0 38.4 21.2 -0.4 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.573 75.3 160.7-129.5 71.7 40.0 18.1 1.0 143 143 A P H > + 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.847 69.1 50.9 -63.7 -42.9 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.958 115.9 41.9 -63.9 -45.2 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 115.0 50.8 -65.1 -46.7 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.929 108.0 53.2 -59.4 -40.9 38.3 12.4 -0.3 147 147 A K H X S+ 0 0 97 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.885 106.7 52.0 -62.5 -37.0 40.2 10.4 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.949 114.2 42.7 -63.3 -45.4 41.3 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.916 114.5 50.8 -64.9 -42.0 37.6 7.4 0.9 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.908 109.4 49.8 -62.5 -42.8 36.3 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.851 107.9 55.0 -64.9 -33.4 38.9 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.902 110.8 44.5 -65.9 -42.1 37.8 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.904 115.0 50.7 -67.2 -39.0 34.2 2.8 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.942 126.2 19.6 -62.5 -51.9 35.3 2.0 -5.3 155 155 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.650 86.0-135.6 -96.1 -27.3 37.5 -1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.791 72.0 100.7 73.1 24.6 36.4 -2.3 -1.2 157 157 A T S S- 0 0 46 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.850 81.8-117.1-133.2 168.2 40.0 -2.7 -0.0 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.3 1,-0.2 4,-0.8 0.124 72.1 124.4 -93.1 17.0 42.2 -0.6 2.2 159 159 A D G >4 + 0 0 98 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.800 65.7 58.0 -50.2 -34.9 44.7 -0.0 -0.7 160 160 A A G 34 S+ 0 0 27 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.645 110.7 43.8 -74.2 -9.9 44.5 3.8 -0.5 161 161 A Y G X4 S+ 0 0 2 -3,-2.3 3,-1.4 -13,-0.1 2,-0.3 0.466 87.2 102.8-109.3 -8.1 45.6 3.7 3.1 162 162 A K T << S+ 0 0 108 -4,-0.8 0, 0.0 -3,-0.7 0, 0.0 -0.676 83.3 32.8 -79.8 136.7 48.4 1.1 2.8 163 163 A N T 3 0 0 181 -2,-0.3 -1,-0.2 1,-0.0 -2,-0.1 0.143 360.0 360.0 99.1 -11.1 51.8 2.8 2.8 164 164 A L < 0 0 114 -3,-1.4 -2,-0.2 0, 0.0 -3,-0.1 0.822 360.0 360.0-102.9 360.0 50.2 5.4 5.2