==== 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 214L . 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, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.6 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 1 0 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 83 0, 0.0 2,-0.3 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 171.2 47.1 29.6 17.2 2 2 A N > - 0 0 61 95,-0.0 4,-2.5 1,-0.0 3,-0.3 -0.882 360.0 -74.1-151.9-178.6 47.1 33.4 17.5 3 3 A I H > S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.822 124.9 51.5 -53.1 -35.6 45.0 36.3 18.8 4 4 A F H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 111.9 43.2 -69.8 -47.0 42.5 36.0 15.9 5 5 A E H > S+ 0 0 96 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.889 112.6 57.2 -63.9 -39.5 41.8 32.4 16.2 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.917 111.0 39.8 -59.5 -48.1 41.6 32.9 19.9 7 7 A L H X>S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.6 0.757 107.4 61.7 -76.2 -28.8 38.8 35.5 19.8 8 8 A R H X5S+ 0 0 87 -4,-1.6 4,-1.6 3,-0.2 -1,-0.2 0.861 109.8 44.2 -62.2 -38.8 36.9 33.8 17.1 9 9 A I H <5S+ 0 0 93 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.971 118.6 40.9 -65.3 -55.9 36.6 30.9 19.6 10 10 A D H <5S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.871 129.1 29.8 -66.1 -35.3 35.8 33.0 22.5 11 11 A E H <5S- 0 0 28 -4,-3.4 19,-0.2 -5,-0.2 -3,-0.2 0.849 93.4-152.8 -95.2 -31.0 33.5 35.4 20.7 12 12 A G << - 0 0 20 -4,-1.6 2,-0.4 -5,-0.6 18,-0.2 -0.070 28.0 -82.6 75.7 167.2 32.1 33.1 17.9 13 13 A L + 0 0 80 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.964 46.8 178.0-114.2 126.0 30.9 34.6 14.5 14 14 A R E -A 28 0A 123 14,-0.9 14,-2.1 -2,-0.4 4,-0.1 -0.998 19.2-171.2-132.4 128.0 27.4 36.1 14.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.567 73.1 61.7 -96.5 -10.2 25.9 37.6 11.2 16 16 A K E S-C 57 0B 167 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.863 100.1 -88.7-117.7 147.8 22.7 39.0 12.8 17 17 A I E + 0 0 34 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.291 55.7 174.6 -54.1 136.3 22.6 41.5 15.6 18 18 A Y E -A 26 0A 42 8,-4.0 8,-4.6 -4,-0.1 2,-0.5 -0.842 31.0-109.5-138.2 176.7 22.7 39.9 19.0 19 19 A K E -A 25 0A 124 6,-0.3 6,-0.3 -2,-0.3 4,-0.1 -0.944 27.9-140.8-112.9 129.3 22.9 40.7 22.6 20 20 A D > - 0 0 49 4,-3.3 3,-1.5 -2,-0.5 -1,-0.1 0.106 43.3 -78.9 -71.9-163.7 26.1 40.1 24.6 21 21 A T T 3 S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.798 136.2 49.9 -69.0 -27.1 26.2 38.8 28.4 22 22 A E T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.139 124.5-109.4 -91.6 9.0 25.4 42.3 29.6 23 23 A G < + 0 0 38 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.758 68.3 149.5 66.9 31.6 22.5 42.3 27.1 24 24 A Y - 0 0 67 1,-0.1 -4,-3.3 13,-0.0 2,-0.4 -0.699 55.2 -98.5 -98.3 148.8 24.1 44.8 24.8 25 25 A Y E +AB 19 34A 36 9,-1.1 8,-3.6 11,-0.4 9,-1.2 -0.542 55.5 163.3 -66.7 124.3 23.6 44.9 21.0 26 26 A T E -AB 18 32A 3 -8,-4.6 -8,-4.0 -2,-0.4 2,-0.3 -0.885 17.8-173.0-142.6 160.7 26.4 43.2 19.2 27 27 A I E > - B 0 31A 0 4,-1.4 4,-2.5 -2,-0.3 -12,-0.2 -0.966 49.9 -0.3-152.4 167.6 27.3 41.8 15.9 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 2,-0.9 -2,-0.3 -14,-0.9 -0.276 123.4 -3.8 55.3-129.1 30.0 39.8 14.0 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 3,-0.1 -0.593 129.0 -52.5 -95.1 68.8 33.0 38.9 16.2 30 30 A G T 4 S+ 0 0 17 -2,-0.9 2,-1.1 -19,-0.2 -2,-0.2 0.794 85.4 160.1 73.9 23.8 32.2 40.6 19.5 31 31 A H E < -B 27 0A 35 -4,-2.5 -4,-1.4 32,-0.0 -1,-0.2 -0.664 32.3-145.4 -80.6 97.0 31.6 44.0 17.8 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.419 17.8-175.1 -62.9 135.4 29.5 45.9 20.3 33 33 A L E - 0 0 15 -8,-3.6 2,-0.3 1,-0.3 -7,-0.2 0.877 57.5 -29.0 -96.0 -50.2 27.0 48.3 18.6 34 34 A T E -B 25 0A 25 -9,-1.2 -9,-1.1 2,-0.1 -1,-0.3 -0.983 34.3-133.4-163.0 158.9 25.4 50.2 21.5 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.2 -3,-0.0 0.534 81.7 96.8 -93.6 -6.4 24.5 50.2 25.2 36 36 A S S S- 0 0 46 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.272 78.6-130.4 -73.8 163.3 21.0 51.6 24.4 37 37 A P S S+ 0 0 118 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.128 75.2 115.6 -99.1 14.9 17.9 49.3 24.0 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.833 50.4-168.0 -87.2 98.2 17.1 51.0 20.8 39 39 A L H > S+ 0 0 69 -2,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.801 91.8 59.3 -56.2 -27.4 17.5 48.4 18.2 40 40 A N H > S+ 0 0 118 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.902 100.5 51.9 -69.0 -36.9 17.3 51.3 15.9 41 41 A A H > S+ 0 0 22 -3,-0.4 4,-3.5 2,-0.2 5,-0.2 0.968 110.9 48.4 -58.3 -55.1 20.3 52.8 17.5 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.947 114.2 47.1 -50.2 -53.1 22.2 49.5 17.0 43 43 A K H X S+ 0 0 56 -4,-2.9 4,-2.6 1,-0.2 11,-0.3 0.886 112.4 49.0 -57.8 -42.9 21.1 49.4 13.3 44 44 A S H X S+ 0 0 58 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.958 111.3 48.3 -64.7 -47.2 22.1 52.9 12.8 45 45 A E H X S+ 0 0 78 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.913 112.2 53.2 -59.0 -37.0 25.5 52.4 14.3 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.865 106.7 47.1 -63.9 -49.6 25.8 49.3 12.1 47 47 A D H X S+ 0 0 32 -4,-2.6 4,-3.7 2,-0.2 -1,-0.2 0.864 110.8 56.3 -65.7 -29.5 25.1 50.9 8.8 48 48 A K H < S+ 0 0 129 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.954 110.2 41.7 -62.4 -52.4 27.5 53.6 9.8 49 49 A A H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 124.9 38.6 -62.2 -37.8 30.4 51.3 10.4 50 50 A I H < S- 0 0 21 -4,-2.1 2,-0.9 2,-0.2 -2,-0.2 0.769 96.6-140.1 -83.2 -34.7 29.4 49.3 7.3 51 51 A G S < S+ 0 0 60 -4,-3.7 -1,-0.1 1,-0.3 -2,-0.1 -0.666 71.9 80.5 105.4 -73.3 28.4 52.2 5.0 52 52 A R S S- 0 0 112 -2,-0.9 2,-1.0 1,-0.1 -1,-0.3 0.185 94.4 -90.9 -57.0 172.0 25.4 50.4 3.5 53 53 A N + 0 0 120 1,-0.2 -1,-0.1 -3,-0.1 -9,-0.1 -0.806 49.1 171.9 -91.6 96.2 21.9 49.8 4.7 54 54 A T > - 0 0 6 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.676 31.4-143.9 -88.6 -26.5 22.2 46.5 6.4 55 55 A N T 3 S- 0 0 106 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.707 75.2 -60.9 65.6 16.7 18.9 45.8 8.1 56 56 A G T 3 S+ 0 0 7 1,-0.2 -39,-1.5 -13,-0.2 2,-0.4 0.636 117.4 103.6 82.1 19.9 20.9 44.3 10.9 57 57 A V B < +C 16 0B 76 -3,-1.2 2,-0.2 -41,-0.2 -1,-0.2 -0.999 43.9 175.5-134.4 126.9 22.5 41.6 8.8 58 58 A I - 0 0 8 -43,-1.8 2,-0.3 -2,-0.4 -30,-0.0 -0.748 27.8-106.0-122.8 175.2 26.1 41.6 7.5 59 59 A T > - 0 0 52 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.682 30.3-109.2 -99.9 161.1 28.3 39.3 5.6 60 60 A K H > S+ 0 0 102 1,-0.3 4,-1.9 -2,-0.3 5,-0.1 0.815 121.7 53.7 -56.2 -32.8 31.2 37.2 6.8 61 61 A D H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.900 109.2 44.9 -72.2 -40.0 33.4 39.6 4.9 62 62 A E H > S+ 0 0 40 -3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.934 112.9 52.2 -65.9 -42.4 32.0 42.6 6.6 63 63 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -34,-0.4 0.901 109.0 50.6 -59.3 -39.2 32.2 40.9 9.9 64 64 A E H X S+ 0 0 62 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.848 108.3 52.0 -66.9 -36.7 35.9 40.0 9.4 65 65 A K H X S+ 0 0 117 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.900 110.6 47.3 -65.7 -49.2 36.8 43.6 8.4 66 66 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 110.6 55.1 -60.2 -42.1 35.2 44.9 11.6 67 67 A F H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.923 106.5 48.4 -57.8 -47.8 37.0 42.2 13.4 68 68 A N H X S+ 0 0 82 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.923 112.5 49.4 -62.0 -39.9 40.4 43.3 12.1 69 69 A Q H X S+ 0 0 94 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.864 110.1 51.8 -61.2 -41.5 39.7 46.9 13.0 70 70 A D H X S+ 0 0 30 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.850 107.9 49.9 -67.2 -40.6 38.6 45.9 16.5 71 71 A V H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.893 110.9 50.8 -63.3 -39.6 41.8 44.0 17.2 72 72 A D H X S+ 0 0 93 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.939 107.9 52.9 -61.4 -45.2 43.8 47.0 16.0 73 73 A A H X S+ 0 0 39 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.874 107.1 51.5 -54.6 -46.6 41.9 49.3 18.3 74 74 A A H X S+ 0 0 7 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.935 109.4 50.8 -57.9 -45.2 42.7 47.0 21.3 75 75 A V H X S+ 0 0 28 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.954 111.9 47.2 -62.4 -44.5 46.4 47.1 20.4 76 76 A R H X S+ 0 0 138 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.857 107.8 54.9 -66.1 -34.0 46.3 50.8 20.3 77 77 A G H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.3 0.897 109.5 49.0 -64.6 -36.7 44.5 51.2 23.5 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 7,-0.3 0.957 111.7 46.8 -62.9 -54.2 47.2 49.1 25.0 79 79 A L H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.594 113.1 48.4 -67.9 -16.6 50.0 51.1 23.6 80 80 A R H 3< S+ 0 0 156 -4,-1.1 2,-0.6 -3,-0.2 -1,-0.3 0.558 91.0 95.0 -95.2 -15.0 48.6 54.5 24.5 81 81 A N S+ 0 0 0 -3,-0.3 4,-3.0 -6,-0.3 5,-0.3 0.702 96.0 73.4 -94.8 -28.3 49.7 48.7 30.0 85 85 A K H X S+ 0 0 81 -4,-2.0 4,-2.8 -7,-0.3 5,-0.1 0.913 99.2 47.2 -55.6 -43.6 52.3 49.6 27.4 86 86 A P H > S+ 0 0 75 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.888 113.0 48.6 -65.0 -40.2 55.3 48.6 29.5 87 87 A V H >> S+ 0 0 8 -4,-0.4 3,-1.0 2,-0.2 4,-0.6 0.985 114.9 46.3 -61.4 -53.9 53.7 45.3 30.4 88 88 A Y H >< S+ 0 0 36 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.857 106.8 57.4 -52.4 -48.2 52.9 44.6 26.8 89 89 A D H 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.817 109.5 45.6 -55.3 -36.9 56.3 45.6 25.6 90 90 A S H << S+ 0 0 92 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.448 95.0 103.4 -88.4 -8.0 57.9 43.0 27.8 91 91 A L << - 0 0 11 -3,-1.2 2,-0.1 -4,-0.6 -3,-0.0 -0.463 68.3-122.1 -83.5 156.3 55.5 40.2 27.0 92 92 A D > - 0 0 60 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.386 42.5 -94.6 -81.8 161.3 56.0 37.2 24.8 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.811 122.0 50.1 -51.3 -35.0 53.5 36.6 21.8 94 94 A V H > S+ 0 0 22 63,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.958 113.5 42.2 -73.1 -49.3 51.2 34.3 23.9 95 95 A R H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.811 111.1 58.3 -69.1 -24.3 50.8 36.5 26.9 96 96 A R H X S+ 0 0 79 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.985 105.3 50.7 -61.6 -49.4 50.4 39.5 24.5 97 97 A A H X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.821 109.3 50.1 -52.8 -43.5 47.5 37.7 22.9 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.911 110.6 50.2 -62.9 -47.5 45.8 37.1 26.4 99 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.955 108.7 51.4 -61.4 -43.7 46.3 40.7 27.2 100 100 A I H X S+ 0 0 9 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.879 107.1 54.3 -54.8 -43.4 44.7 41.7 23.9 101 101 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.916 107.4 50.3 -58.3 -42.1 41.7 39.5 24.6 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.948 113.8 44.3 -60.4 -49.1 41.1 41.2 28.0 103 103 A V H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.894 111.2 55.5 -62.8 -47.3 41.2 44.6 26.5 104 104 A F H < S+ 0 0 33 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 118.4 34.0 -51.4 -43.7 39.0 43.4 23.6 105 105 A Q H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.858 134.5 19.9 -82.7 -44.0 36.4 42.3 26.1 106 106 A M H < S- 0 0 53 -4,-3.2 4,-0.4 -5,-0.2 -3,-0.2 0.593 102.6-115.3-109.2 -12.5 36.6 44.8 28.9 107 107 A G X - 0 0 30 -4,-2.5 4,-2.0 -5,-0.4 5,-0.2 0.027 34.1 -77.2 95.4 161.8 38.3 47.9 27.4 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.855 126.6 53.0 -62.8 -35.3 41.7 49.6 28.2 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.944 108.3 47.6 -67.0 -51.1 40.4 51.2 31.3 110 110 A G H >4 S+ 0 0 32 -4,-0.4 3,-0.7 1,-0.2 -2,-0.2 0.953 115.6 45.1 -55.6 -49.8 39.1 48.1 32.9 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.2 -2,-0.2 0.890 104.3 61.5 -63.6 -40.2 42.3 46.2 32.2 112 112 A A H >< S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.784 93.4 66.1 -61.4 -24.3 44.7 48.9 33.3 113 113 A G T << S+ 0 0 55 -4,-1.1 -1,-0.3 -3,-0.7 3,-0.2 0.647 100.6 50.3 -72.5 -10.0 43.2 48.7 36.8 114 114 A F T X> S+ 0 0 50 -3,-2.6 4,-2.3 -4,-0.2 3,-1.3 0.309 71.7 117.0-109.5 7.7 44.6 45.3 37.1 115 115 A T H <> S+ 0 0 9 -3,-1.2 4,-2.7 1,-0.3 5,-0.2 0.845 76.0 50.6 -43.5 -43.8 48.1 46.0 36.1 116 116 A N H 3> S+ 0 0 122 1,-0.2 4,-1.8 -4,-0.2 -1,-0.3 0.817 109.5 49.2 -70.2 -31.5 49.5 45.0 39.4 117 117 A S H <> S+ 0 0 18 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.854 110.8 53.6 -74.6 -32.0 47.7 41.7 39.5 118 118 A L H X S+ 0 0 1 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.966 109.9 43.9 -64.7 -54.1 49.0 41.1 36.1 119 119 A R H >< S+ 0 0 136 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.901 112.7 54.4 -60.4 -36.0 52.6 41.7 36.9 120 119AA A H >< S+ 0 0 24 -4,-1.8 3,-2.2 1,-0.3 -1,-0.2 0.841 99.2 61.5 -64.7 -33.6 52.1 39.6 40.1 121 120 A M H 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.662 97.0 61.7 -64.9 -17.8 50.8 36.6 38.2 122 121 A L T << S+ 0 0 66 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.388 90.1 84.3 -93.5 3.6 54.0 36.5 36.5 123 122 A Q S < S- 0 0 112 -3,-2.2 4,-0.1 2,-0.2 -3,-0.0 -0.405 77.3-127.4 -92.7 177.2 56.1 35.9 39.6 124 123 A Q S > S+ 0 0 151 -2,-0.1 3,-0.8 2,-0.1 4,-0.2 0.886 86.1 75.4 -92.7 -46.4 56.7 32.5 41.3 125 124 A K T 3 S- 0 0 163 1,-0.2 -2,-0.2 2,-0.1 0, 0.0 -0.477 121.5 -22.9 -71.6 131.7 55.6 33.3 44.9 126 125 A R T >> S+ 0 0 167 -2,-0.2 3,-1.8 1,-0.2 4,-0.9 0.678 79.1 152.9 38.3 34.2 51.9 33.4 45.4 127 126 A W H <> + 0 0 75 -3,-0.8 4,-1.2 1,-0.3 -1,-0.2 0.807 67.5 64.5 -58.8 -20.4 51.2 34.2 41.8 128 127 A D H 3> S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.667 88.4 62.2 -78.6 -21.6 47.8 32.6 42.4 129 128 A E H <> S+ 0 0 94 -3,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.900 104.1 51.2 -71.4 -37.3 46.5 35.1 44.8 130 129 A A H X S+ 0 0 8 -4,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.876 108.3 51.9 -59.6 -41.3 46.8 37.6 42.0 131 130 A A H >X S+ 0 0 18 -4,-1.2 4,-1.4 1,-0.2 3,-1.3 0.942 103.2 58.7 -64.5 -45.9 44.8 35.3 39.8 132 131 A V H 3X S+ 0 0 64 -4,-2.3 4,-1.1 1,-0.3 3,-0.2 0.862 98.1 61.2 -48.7 -41.8 42.2 35.0 42.4 133 132 A N H 3< S+ 0 0 80 -4,-1.3 4,-0.5 1,-0.3 -1,-0.3 0.749 102.6 48.3 -55.7 -40.0 41.6 38.8 42.3 134 133 A L H X< S+ 0 0 1 -3,-1.3 3,-1.2 -4,-0.8 6,-0.7 0.817 100.9 66.2 -72.4 -29.8 40.6 38.9 38.8 135 134 A A H 3< S+ 0 0 27 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.846 101.7 50.8 -55.0 -39.8 38.2 36.0 39.4 136 135 A K T 3< S+ 0 0 144 -4,-1.1 -1,-0.3 4,-0.1 -2,-0.2 0.713 87.8 106.2 -72.4 -24.8 36.4 38.4 41.6 137 136 A S S <> S- 0 0 17 -3,-1.2 4,-1.1 -4,-0.5 5,-0.1 0.131 90.0-107.0 -46.2 168.5 36.2 41.2 38.9 138 137 A R H > S+ 0 0 203 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.893 117.4 69.0 -69.8 -26.0 32.9 41.7 37.3 139 138 A W H >> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 3,-1.4 0.953 99.3 40.8 -41.1 -79.9 34.6 40.1 34.3 140 139 A Y H 34 S+ 0 0 54 -6,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 112.0 56.7 -46.6 -38.4 34.9 36.5 35.6 141 140 A N H 3< S+ 0 0 113 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.876 112.2 41.5 -69.1 -32.9 31.6 36.6 37.2 142 141 A Q H << S+ 0 0 86 -4,-1.7 -2,-0.2 -3,-1.4 -1,-0.2 0.952 136.5 14.9 -74.5 -49.4 30.0 37.4 33.9 143 142 A T S X S+ 0 0 23 -4,-2.4 4,-2.7 -5,-0.1 -1,-0.2 -0.724 71.8 165.9-131.5 74.5 32.1 35.0 31.8 144 143 A P H > S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.823 75.1 46.3 -62.2 -41.1 33.8 32.6 34.2 145 144 A N H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.1 5,-0.1 0.823 114.0 48.4 -75.1 -33.9 35.0 30.0 31.7 146 145 A R H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.948 109.9 54.5 -68.5 -41.2 36.4 32.5 29.3 147 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.883 109.2 47.6 -57.9 -40.4 38.1 34.3 32.3 148 147 A K H X S+ 0 0 90 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.960 111.1 49.2 -67.3 -48.6 39.9 31.1 33.3 149 148 A R H X S+ 0 0 69 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.903 115.2 44.6 -50.9 -54.9 41.0 30.3 29.8 150 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.933 114.9 47.6 -62.5 -40.1 42.4 33.8 29.3 151 150 A I H X S+ 0 0 17 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.905 110.0 53.2 -70.1 -37.0 44.0 33.9 32.8 152 151 A T H X S+ 0 0 55 -4,-3.0 4,-2.6 -5,-0.3 6,-0.3 0.873 110.0 47.8 -64.3 -36.6 45.5 30.5 32.2 153 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.911 110.8 51.7 -69.3 -41.7 47.0 31.6 29.0 154 153 A F H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.964 115.6 40.7 -67.4 -39.2 48.4 34.7 30.6 155 154 A R H < S+ 0 0 52 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.933 123.7 35.4 -68.7 -50.2 50.0 32.8 33.4 156 155 A T H < S- 0 0 55 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.796 86.9-140.5 -79.7 -30.8 51.4 29.8 31.3 157 156 A G S < S+ 0 0 18 -4,-2.8 2,-0.3 1,-0.3 -63,-0.2 0.726 71.1 98.7 71.6 24.2 52.3 31.6 28.1 158 157 A T S S- 0 0 51 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.883 81.6-119.4-133.7 166.9 51.0 28.4 26.2 159 158 A W > + 0 0 53 -2,-0.3 3,-2.6 1,-0.2 4,-0.3 0.245 68.7 124.2 -93.7 12.5 47.8 27.6 24.5 160 159 A D G > + 0 0 114 1,-0.3 3,-0.7 3,-0.2 -1,-0.2 0.791 69.6 58.7 -41.6 -39.1 46.9 24.7 26.7 161 160 A A G 3 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.711 106.5 48.0 -70.0 -17.4 43.5 26.2 27.6 162 161 A Y G < 0 0 26 -3,-2.6 -1,-0.2 -13,-0.1 -2,-0.2 0.486 360.0 360.0 -89.9 -2.1 42.5 26.3 23.9 163 162 A K < 0 0 211 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 -0.177 360.0 360.0-106.9 360.0 43.6 23.1 23.9