==== 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 (O-GLYCOSYL) 23-SEP-96 219L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR I.R.VETTER,W.A.BAASE,D.W.HEINZ,J.-P.XIONG,S.SNOW, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.4 43.1 -1.9 9.3 2 2 A N > - 0 0 70 156,-0.0 4,-3.1 95,-0.0 5,-0.2 -0.921 360.0 -81.8-153.3 175.5 39.9 -0.7 10.9 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.851 124.2 52.3 -53.6 -38.4 37.8 2.5 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 114.1 40.2 -67.9 -49.5 39.9 3.7 14.2 5 5 A E H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 114.6 55.8 -64.1 -38.0 43.2 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.939 112.6 39.1 -62.8 -47.4 41.6 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.818 108.8 61.8 -74.3 -24.7 40.4 7.8 10.9 8 8 A R H X S+ 0 0 107 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.892 108.0 46.6 -66.7 -30.5 43.6 8.2 13.0 9 9 A I H < S+ 0 0 54 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.925 116.0 43.3 -69.9 -47.1 45.3 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.769 125.2 32.0 -70.1 -31.2 42.8 10.9 8.2 11 11 A E H < S- 0 0 45 -4,-2.5 19,-0.4 -5,-0.1 -1,-0.2 0.672 89.2-154.0-102.3 -26.0 42.5 13.1 11.2 12 12 A G < - 0 0 25 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.165 27.3 -88.2 73.5-172.4 46.0 13.0 12.9 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.970 41.5 175.2-141.2 121.9 46.3 13.6 16.6 14 14 A R E -A 28 0A 131 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.997 16.8-164.6-129.2 130.3 46.8 17.0 18.3 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.438 74.3 60.6 -95.3 -2.0 46.9 17.4 22.0 16 16 A K E S-C 57 0B 88 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.915 102.7 -84.1-122.3 149.3 46.4 21.2 22.0 17 17 A I E + 0 0 15 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.234 58.8 171.4 -51.1 138.0 43.5 23.1 20.6 18 18 A Y E -A 26 0A 23 8,-3.0 8,-3.6 -4,-0.1 2,-0.5 -0.892 35.4-105.4-143.7 169.5 43.9 23.7 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.870 33.5-142.0-100.7 131.8 41.9 24.9 13.8 20 20 A D > - 0 0 48 4,-2.5 3,-2.2 -2,-0.5 -1,-0.0 -0.121 43.6 -76.0 -78.1-171.2 40.7 22.3 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 136.9 47.1 -57.9 -26.7 40.6 22.6 7.5 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.386 123.3-105.5 -94.1 -2.2 37.5 24.9 7.9 23 23 A G S < S+ 0 0 32 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.656 72.9 143.0 83.1 24.1 39.2 27.0 10.7 24 24 A Y - 0 0 74 1,-0.1 -4,-2.5 9,-0.0 -1,-0.3 -0.798 58.7-101.1 -98.6 143.9 37.1 25.5 13.5 25 25 A Y E +AB 19 34A 32 9,-0.8 8,-3.1 11,-0.5 9,-1.4 -0.399 54.3 160.3 -67.0 128.5 38.5 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-3.6 -8,-3.0 6,-0.3 2,-0.3 -0.886 19.6-166.5-140.3 167.2 39.3 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 2,-0.2 -0.986 51.9 1.9-154.3 161.4 41.4 18.9 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-1.1 -0.425 123.1 -4.3 70.4-131.5 42.6 15.3 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.688 128.6 -53.6-101.7 75.7 41.7 13.1 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.1 2,-1.0 -19,-0.4 -2,-0.2 0.751 83.3 163.0 64.7 27.8 39.5 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-2.3 -4,-1.8 -20,-0.1 -1,-0.2 -0.682 32.1-141.7 -82.8 105.2 37.2 16.2 17.8 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.387 20.8-178.1 -66.1 128.4 35.3 19.4 16.8 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.896 58.8 -31.1 -93.4 -46.7 34.9 21.7 19.8 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.953 33.5-133.8-168.4 156.8 32.9 24.5 18.3 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.473 75.2 114.2 -93.8 -7.7 32.2 26.4 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.354 70.5-135.1 -66.1 144.5 32.4 29.6 17.3 37 37 A P S S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.504 76.2 101.8 -77.2 -10.0 35.3 32.0 16.5 38 38 A S > - 0 0 45 1,-0.1 4,-1.8 -13,-0.0 5,-0.1 -0.681 58.7-158.5 -87.1 125.5 36.0 32.4 20.2 39 39 A L H > S+ 0 0 62 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.789 95.6 58.1 -71.2 -22.4 38.9 30.5 21.7 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.920 102.8 50.7 -70.0 -48.0 37.2 30.9 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 111.6 50.0 -56.5 -39.7 34.2 29.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.900 110.3 48.2 -64.9 -42.5 36.4 26.4 22.7 43 43 A K H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 11,-0.2 0.904 112.1 52.1 -66.2 -35.3 38.3 26.1 26.0 44 44 A S H X S+ 0 0 68 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.945 109.9 46.0 -63.1 -51.6 35.0 26.0 27.7 45 45 A E H X S+ 0 0 68 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.892 111.3 54.7 -60.1 -39.8 33.7 23.2 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.940 108.5 46.0 -59.9 -48.5 36.9 21.3 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-2.7 1,-0.2 5,-1.3 0.909 112.4 51.7 -60.9 -42.2 36.8 21.4 29.8 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.861 112.4 45.7 -61.5 -39.8 33.2 20.4 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.884 121.0 38.1 -71.0 -38.7 34.0 17.4 27.5 50 50 A I H <5S- 0 0 34 -4,-2.6 -2,-0.2 2,-0.3 -3,-0.2 0.739 104.1-126.6 -82.3 -32.8 37.0 16.3 29.5 51 51 A G T <5S+ 0 0 64 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.725 75.9 69.9 90.3 18.2 35.6 17.0 32.9 52 52 A R S - 0 0 9 -2,-0.8 3,-1.0 -11,-0.2 -1,-0.2 0.731 33.5-142.2 -90.3 -31.2 42.3 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 0.814 72.7 -61.5 67.2 28.2 43.7 25.0 29.9 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.6 -13,-0.2 2,-0.4 0.560 117.3 101.4 75.6 9.8 43.4 23.8 26.2 57 57 A V B < -C 16 0B 68 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.967 46.5-179.0-125.6 141.0 45.7 20.9 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.877 25.4-110.7-131.4 167.7 44.8 17.2 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.8 1,-0.1 5,-0.1 -0.533 31.6-108.2 -94.4 169.6 46.5 14.0 27.3 60 60 A K H > S+ 0 0 120 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.886 120.5 52.4 -61.7 -39.8 46.7 11.2 24.8 61 61 A D H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.886 108.9 49.1 -67.1 -39.3 44.5 9.1 26.8 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.935 110.9 51.2 -66.1 -41.5 41.9 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -34,-0.4 0.879 109.5 50.0 -58.2 -46.0 42.2 12.3 23.3 64 64 A E H X S+ 0 0 63 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.825 108.4 53.1 -65.3 -29.7 41.6 8.6 22.7 65 65 A K H X S+ 0 0 138 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.923 108.7 48.1 -70.7 -43.9 38.6 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.8 53.6 -57.6 -43.1 37.0 11.5 23.0 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.945 107.1 47.9 -57.1 -50.6 37.9 9.4 19.9 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.4 1,-0.3 5,-0.2 0.919 113.6 49.0 -57.9 -42.9 36.1 6.3 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.889 111.0 49.8 -63.3 -41.8 33.1 8.3 22.0 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.855 110.8 48.4 -64.8 -39.0 33.1 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.935 112.0 50.6 -65.5 -47.5 33.3 6.8 16.6 72 72 A D H X S+ 0 0 80 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.933 109.2 49.8 -54.8 -47.9 30.6 5.4 18.6 73 73 A A H X S+ 0 0 52 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.888 108.3 53.5 -59.6 -39.4 28.4 8.4 18.1 74 74 A A H X S+ 0 0 9 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.945 110.8 46.0 -62.4 -47.2 29.0 8.3 14.3 75 75 A V H X S+ 0 0 28 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.941 113.2 49.7 -60.3 -46.8 27.9 4.7 14.1 76 76 A R H X S+ 0 0 107 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.894 108.5 53.0 -61.4 -37.1 25.0 5.3 16.3 77 77 A G H X S+ 0 0 2 -4,-2.8 4,-0.6 -5,-0.2 -1,-0.2 0.888 109.2 49.1 -63.5 -44.3 24.0 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 7,-0.4 0.940 110.2 51.1 -58.9 -48.5 24.1 6.2 11.0 79 79 A L H 3< S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.813 112.7 46.1 -63.5 -30.1 22.0 3.5 12.6 80 80 A R H 3< S+ 0 0 174 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.510 93.7 94.5 -87.5 -10.2 19.4 5.9 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.844 101.5 67.4 -88.7 -40.7 21.9 6.1 6.1 85 85 A K H X S+ 0 0 82 -4,-3.3 4,-2.7 -7,-0.4 5,-0.2 0.890 99.0 49.0 -51.1 -47.4 20.9 2.9 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.887 113.6 48.8 -66.3 -30.9 19.8 1.0 4.7 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.8 -3,-0.3 3,-0.5 0.968 111.7 48.0 -68.4 -51.4 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.894 110.1 52.1 -55.6 -43.7 25.2 1.0 5.7 89 89 A D H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.822 106.5 55.4 -65.7 -29.7 23.4 -2.3 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.636 95.6 87.6 -77.5 -15.0 23.9 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-0.9 2,-0.1 -4,-0.8 31,-0.0 -0.498 75.8-117.3 -89.6 156.8 27.6 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.2 1,-0.0 5,-0.2 -0.233 44.6 -91.3 -75.6 171.8 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.865 122.6 48.9 -60.3 -41.1 32.8 -4.2 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 1,-0.2 3,-0.3 0.913 112.8 46.2 -64.7 -47.1 35.4 -2.2 4.4 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.864 105.7 60.0 -67.9 -32.7 32.9 0.1 2.8 96 96 A R H X S+ 0 0 75 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.901 102.1 54.4 -58.5 -39.3 31.0 0.6 6.0 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.911 105.6 53.5 -61.8 -38.5 34.2 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.860 108.3 48.8 -66.1 -36.0 34.2 4.4 4.5 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 109.2 52.8 -69.4 -36.8 30.7 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.940 106.0 54.9 -61.8 -41.3 31.6 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.928 107.9 47.9 -57.3 -49.1 34.5 8.2 7.9 102 102 A M H X S+ 0 0 4 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.903 112.8 48.6 -59.1 -42.8 32.3 10.5 5.9 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.932 110.2 51.7 -64.9 -40.4 29.9 10.8 8.8 104 104 A F H < S+ 0 0 33 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 116.5 41.1 -60.7 -40.5 32.6 11.5 11.2 105 105 A Q H < S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 132.9 16.0 -74.8 -45.3 33.9 14.3 9.0 106 106 A M H X S- 0 0 53 -4,-2.8 4,-0.7 -5,-0.2 -3,-0.2 0.481 103.7-110.4-115.8 -2.0 30.8 15.9 7.9 107 107 A G H X - 0 0 29 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.117 34.0 -81.8 83.9 152.4 28.0 14.8 10.1 108 108 A E H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 128.7 50.9 -61.3 -38.2 25.1 12.6 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.928 108.9 51.4 -66.0 -46.3 23.1 15.4 8.0 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.944 114.3 42.0 -55.5 -56.7 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.882 105.2 62.9 -61.9 -39.7 26.3 12.8 4.4 112 112 A A H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 94.7 67.2 -60.8 -19.0 22.5 12.0 4.2 113 113 A G T << S+ 0 0 59 -4,-1.0 2,-0.9 -3,-0.9 -1,-0.3 0.495 75.9 84.3 -76.9 -6.9 22.5 14.9 1.5 114 114 A F <> + 0 0 41 -3,-2.2 4,-2.7 1,-0.2 3,-0.3 -0.352 56.3 156.3 -91.4 53.5 24.5 12.8 -1.0 115 115 A T H > + 0 0 84 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.837 64.7 47.9 -48.9 -49.6 21.4 11.1 -2.1 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.900 113.6 46.2 -65.8 -39.0 22.5 10.1 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.893 110.8 54.4 -68.1 -41.6 25.7 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 107.7 49.8 -56.2 -47.9 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 111 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.929 111.1 49.1 -60.5 -42.9 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.7 1,-0.2 -1,-0.2 0.834 110.7 50.0 -63.5 -39.3 24.5 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.6 3,-0.2 -1,-0.2 0.913 108.6 53.0 -66.9 -40.5 26.3 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.882 110.2 48.0 -61.3 -33.5 23.2 0.9 -2.3 123 123 A Q T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.442 114.0-120.1 -86.1 -0.5 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.6 2,-1.3 -4,-0.2 -3,-0.2 0.787 62.7 147.4 65.4 31.8 26.6 -1.5 -5.7 125 125 A R >< + 0 0 114 -5,-2.7 4,-2.6 1,-0.2 5,-0.2 -0.672 20.1 173.6 -97.3 78.3 27.5 0.7 -8.7 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.875 69.3 43.7 -57.2 -49.7 31.0 1.4 -7.4 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 115.1 50.3 -66.5 -39.1 32.5 3.3 -10.3 128 128 A E H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 111.1 48.0 -63.8 -43.9 29.4 5.3 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-4.3 2,-0.2 5,-0.3 0.923 108.2 56.0 -62.2 -43.6 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.899 109.3 46.2 -57.8 -41.4 32.9 7.2 -7.1 131 131 A V H X S+ 0 0 90 -4,-1.9 4,-0.7 2,-0.2 3,-0.3 0.930 115.0 46.0 -67.4 -45.1 32.3 9.6 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.920 108.4 55.9 -67.0 -39.1 29.3 11.1 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-4.3 6,-0.4 1,-0.2 -1,-0.2 0.849 102.5 58.4 -58.5 -33.7 31.0 11.4 -4.9 134 134 A A H 3< S+ 0 0 25 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.2 0.671 85.9 79.1 -70.8 -21.2 33.8 13.4 -6.5 135 135 A K S << S+ 0 0 162 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.537 82.2 97.0 -87.0 69.8 31.4 16.1 -7.8 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.997 85.0-116.2-154.1 157.3 31.2 17.7 -4.4 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.907 114.1 63.1 -62.6 -41.2 32.5 20.4 -2.3 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.946 106.5 43.4 -45.4 -50.7 33.9 17.8 0.0 139 139 A Y H 4 S+ 0 0 67 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.3 49.2 -68.2 -39.8 36.1 16.5 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.9 41.6 -70.7 -27.8 37.2 19.9 -3.9 141 141 A Q H < S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.828 132.6 19.6 -86.0 -38.6 38.1 21.1 -0.4 142 142 A T S X S+ 0 0 18 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 -0.545 73.8 161.3-132.8 65.9 39.8 18.0 0.9 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.816 70.4 51.6 -54.8 -43.6 40.7 16.1 -2.2 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.967 115.9 40.3 -68.9 -43.6 43.4 13.8 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.938 115.1 52.4 -63.6 -49.3 41.2 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 -8,-0.2 5,-0.3 0.921 107.6 53.2 -52.8 -46.1 38.2 12.4 -0.3 147 147 A K H X S+ 0 0 87 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.905 107.5 50.6 -57.4 -41.1 40.2 10.3 -2.8 148 148 A R H X S+ 0 0 56 -4,-1.7 4,-1.3 2,-0.2 12,-0.2 0.930 114.9 42.9 -64.7 -41.5 41.2 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.929 114.1 50.2 -68.6 -46.3 37.5 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.887 109.8 51.4 -58.7 -42.7 36.2 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.6 4,-2.7 -5,-0.3 6,-0.4 0.844 106.5 55.5 -63.8 -32.2 38.8 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.913 111.0 42.8 -67.2 -42.7 37.7 2.6 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.882 114.9 51.6 -69.6 -38.1 34.1 2.7 -1.7 154 154 A R H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.935 126.1 21.9 -62.9 -46.0 35.2 1.9 -5.3 155 155 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.605 84.9-137.0 -97.5 -24.1 37.4 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.707 72.6 104.1 65.0 23.7 36.2 -2.3 -1.1 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.788 79.5-122.0-127.0 170.9 39.9 -2.7 -0.0 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.0 1,-0.2 4,-1.2 0.123 72.0 121.7 -94.9 18.7 42.1 -0.7 2.3 159 159 A D T 34 + 0 0 88 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.822 67.0 58.4 -54.4 -33.0 44.6 -0.0 -0.5 160 160 A A T 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.663 111.1 44.1 -69.8 -18.1 44.4 3.8 -0.3 161 161 A Y T X4 S+ 0 0 3 -3,-2.0 3,-1.4 -13,-0.1 2,-0.3 0.586 89.4 97.3-104.1 -14.0 45.4 3.5 3.3 162 162 A K T 3< S+ 0 0 113 -4,-1.2 0, 0.0 -3,-0.3 0, 0.0 -0.651 81.1 39.1 -78.6 131.0 48.2 1.1 2.9 163 163 A N T 3 0 0 174 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.146 360.0 360.0 112.0 -10.4 51.5 3.0 2.7 164 164 A L < 0 0 127 -3,-1.4 -2,-0.2 0, 0.0 -3,-0.1 0.707 360.0 360.0-113.1 360.0 50.5 5.5 5.4