==== 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(O-GLYCOSYL) 13-JUL-92 1L98 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR P.PJURA,L.P.MCINTOSH,J.A.WOZNIAK,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8783.0 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 . 8 4.9 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 . 85 51.8 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 0 1 2 1 0 0 1 1 0 0 0 0 0 0 2 0 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 70 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 144.1 43.9 -1.9 8.9 2 2 A N > - 0 0 69 95,-0.0 4,-2.2 1,-0.0 3,-0.3 -0.857 360.0 -87.3-142.0 172.0 40.8 -0.9 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.864 123.0 51.4 -54.2 -39.9 38.6 2.2 11.3 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 111.1 45.2 -66.4 -43.7 40.8 3.7 14.0 5 5 A E H > S+ 0 0 91 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.901 112.7 53.6 -67.8 -36.1 44.0 3.5 12.0 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.913 112.0 42.1 -64.4 -48.0 42.3 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.834 108.7 59.5 -74.9 -26.1 41.0 7.9 10.8 8 8 A R H X S+ 0 0 107 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.925 107.8 47.3 -65.7 -33.1 44.3 8.4 12.6 9 9 A I H < S+ 0 0 49 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.964 116.1 44.2 -67.7 -46.9 45.9 8.7 9.1 10 10 A D H < S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.800 125.4 27.8 -66.9 -36.5 43.2 11.1 7.9 11 11 A E H < S- 0 0 40 -4,-2.5 19,-0.3 1,-0.1 -1,-0.2 0.717 91.3-146.2-104.7 -25.7 43.0 13.4 10.9 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.251 23.7 -88.6 84.1-177.9 46.3 13.3 12.6 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 43.4 174.5-136.9 116.2 47.0 13.6 16.4 14 14 A R E -A 28 0A 138 14,-1.7 14,-2.1 -2,-0.4 4,-0.1 -0.999 18.6-165.9-128.8 122.8 47.4 17.0 18.0 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.439 73.8 60.8 -88.1 -0.9 47.7 17.5 21.7 16 16 A K E S-C 57 0B 150 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.940 101.2 -85.5-125.9 148.3 47.1 21.2 21.6 17 17 A I E + 0 0 30 39,-1.0 2,-0.3 -2,-0.3 10,-0.2 -0.193 60.1 169.1 -48.7 126.5 44.1 23.3 20.4 18 18 A Y E -A 26 0A 22 8,-3.0 8,-2.5 -4,-0.1 2,-0.5 -0.863 34.5-106.6-137.4 173.3 44.6 23.8 16.7 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.903 28.9-134.1-109.8 139.8 42.6 25.0 13.9 20 20 A D > - 0 0 52 4,-3.5 3,-0.7 -2,-0.5 -1,-0.1 0.101 37.4 -90.8 -70.4-168.5 41.2 22.7 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.735 127.8 53.4 -76.9 -23.5 41.3 23.3 7.6 22 22 A E T 3 S- 0 0 68 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.320 125.6 -98.1 -88.9 -6.2 37.9 25.1 7.9 23 23 A G S < S+ 0 0 35 -3,-0.7 2,-0.2 1,-0.3 -2,-0.1 0.243 78.3 135.1 100.9 -5.9 39.1 27.5 10.5 24 24 A Y - 0 0 72 -5,-0.1 -4,-3.5 1,-0.1 2,-0.3 -0.505 61.5-104.2 -93.2 157.9 37.8 25.8 13.6 25 25 A Y E +AB 19 34A 30 9,-0.6 8,-3.6 11,-0.3 9,-1.3 -0.396 50.4 161.8 -68.0 115.9 39.0 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.5 -8,-3.0 -2,-0.3 2,-0.3 -0.887 16.7-169.3-134.8 157.7 39.8 21.2 17.1 27 27 A I E > - B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 -12,-0.2 -0.956 52.5 -2.6-146.2 162.0 41.9 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.7 -2,-0.3 2,-0.8 -0.295 123.9 -4.4 62.9-124.3 43.3 15.4 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.668 128.2 -51.5-106.8 73.6 42.2 13.2 16.5 30 30 A G T 4 S+ 0 0 17 -2,-0.8 2,-1.2 -19,-0.3 -2,-0.2 0.739 85.1 158.4 70.4 25.8 39.8 15.5 14.6 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.5 -20,-0.1 -1,-0.2 -0.690 33.5-145.3 -84.0 96.6 37.7 16.3 17.6 32 32 A L E -B 26 0A 69 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.357 18.5-177.2 -61.3 129.9 35.9 19.6 16.8 33 33 A L E - 0 0 16 -8,-3.6 2,-0.3 1,-0.3 -7,-0.2 0.907 58.8 -21.4 -93.6 -48.6 35.6 21.8 19.8 34 34 A T E -B 25 0A 26 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.993 33.4-143.2-155.2 157.2 33.6 24.8 18.5 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.443 74.2 113.0 -98.3 -3.3 32.8 26.6 15.4 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.3 2,-0.1 6,-0.1 -0.398 73.9-129.2 -71.7 145.5 33.0 29.8 17.5 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.600 76.8 103.2 -71.2 -7.5 35.7 32.3 16.9 38 38 A S > - 0 0 50 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.638 53.1-164.9 -90.0 121.9 36.7 32.4 20.5 39 39 A L H > S+ 0 0 69 -2,-0.7 4,-2.4 1,-0.3 5,-0.2 0.859 100.0 56.3 -62.7 -26.2 39.8 30.6 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.935 104.4 49.1 -73.9 -36.9 38.2 31.2 25.0 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.947 111.3 52.8 -62.2 -43.2 35.1 29.5 24.0 42 42 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.913 107.5 49.3 -56.3 -48.5 37.2 26.6 22.7 43 43 A K H X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.2 11,-0.3 0.785 110.2 52.3 -63.5 -29.7 39.1 26.2 25.9 44 44 A S H X S+ 0 0 68 -4,-1.5 4,-1.8 -3,-0.2 -2,-0.2 0.894 109.1 48.1 -76.6 -37.5 35.9 26.2 27.8 45 45 A E H X S+ 0 0 61 -4,-2.2 4,-3.4 1,-0.2 -2,-0.2 0.924 109.9 55.3 -66.3 -39.0 34.4 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.955 107.5 46.5 -58.7 -49.3 37.7 21.5 26.1 47 47 A D H X>S+ 0 0 39 -4,-1.8 4,-2.5 2,-0.2 5,-0.9 0.856 113.6 50.6 -58.8 -39.1 37.5 21.6 29.9 48 48 A K H <5S+ 0 0 143 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.904 112.1 46.5 -64.3 -48.2 33.9 20.5 29.6 49 49 A A H <5S+ 0 0 45 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 121.7 36.6 -64.3 -35.8 34.7 17.6 27.3 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.757 97.4-130.7 -88.4 -31.8 37.7 16.4 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.694 78.8 79.2 85.2 17.8 36.3 17.1 33.0 52 52 A R S - 0 0 8 -2,-0.9 3,-0.9 -11,-0.3 -1,-0.2 0.678 32.1-149.1-101.8 -30.9 43.3 21.6 30.6 55 55 A N T 3 S- 0 0 119 1,-0.3 -2,-0.1 -12,-0.2 -11,-0.1 0.963 76.9 -46.2 57.3 55.1 44.2 25.1 29.4 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.0 1,-0.1 2,-0.5 0.585 119.8 102.6 69.1 9.0 44.3 24.0 25.8 57 57 A V B < +C 16 0B 65 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.932 41.6 174.7-137.1 135.8 46.3 20.9 26.4 58 58 A I - 0 0 5 -43,-2.5 2,-0.1 -2,-0.5 -30,-0.1 -0.825 27.9-113.7-128.6 165.8 45.7 17.3 26.7 59 59 A T > - 0 0 63 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.452 34.4-110.0 -88.0 164.2 47.4 14.0 27.1 60 60 A K H > S+ 0 0 109 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.874 120.5 56.8 -62.3 -35.7 47.6 11.3 24.5 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.849 104.9 50.1 -61.4 -39.9 45.4 9.2 26.6 62 62 A E H > S+ 0 0 37 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.872 107.4 54.5 -69.7 -36.7 42.7 11.9 26.7 63 63 A A H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -34,-0.4 0.858 109.6 48.3 -61.6 -41.0 42.9 12.2 22.8 64 64 A E H X S+ 0 0 79 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.808 108.3 52.5 -68.3 -39.8 42.2 8.5 22.6 65 65 A K H X S+ 0 0 138 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.957 111.7 46.6 -62.3 -49.6 39.3 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.905 112.5 51.6 -55.1 -43.9 37.7 11.4 22.9 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.923 107.5 51.0 -63.0 -44.8 38.5 9.4 19.7 68 68 A N H X S+ 0 0 92 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.933 112.0 48.8 -58.3 -44.6 36.8 6.2 21.1 69 69 A Q H X S+ 0 0 98 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.852 111.4 48.9 -61.3 -43.1 33.8 8.3 21.9 70 70 A D H X S+ 0 0 38 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.812 110.5 48.7 -66.9 -39.2 33.6 9.9 18.5 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.941 113.1 48.7 -69.2 -43.8 33.9 6.7 16.5 72 72 A D H X S+ 0 0 86 -4,-2.1 4,-3.2 -5,-0.3 5,-0.3 0.913 110.2 49.9 -59.8 -48.0 31.2 5.1 18.6 73 73 A A H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.860 110.3 52.7 -60.2 -34.4 28.8 8.1 18.2 74 74 A A H X S+ 0 0 7 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.945 111.9 44.4 -67.6 -49.6 29.5 7.9 14.4 75 75 A V H X S+ 0 0 37 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.951 115.3 46.2 -58.5 -54.7 28.5 4.2 14.3 76 76 A R H X S+ 0 0 93 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.929 111.1 55.7 -58.8 -36.0 25.4 4.6 16.5 77 77 A G H < S+ 0 0 12 -4,-2.2 3,-0.4 -5,-0.3 4,-0.3 0.895 106.6 47.3 -60.4 -44.7 24.4 7.6 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 7,-0.4 0.885 112.3 51.4 -61.2 -40.1 24.5 5.8 11.2 79 79 A L H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.655 111.8 45.6 -75.6 -17.3 22.5 2.9 12.7 80 80 A R T 3< S+ 0 0 194 -4,-1.2 2,-0.5 -3,-0.4 -1,-0.2 0.297 95.8 95.8-101.9 -3.3 19.8 5.2 14.1 81 81 A N <> - 0 0 21 -3,-0.7 4,-2.6 -4,-0.3 -4,-0.0 -0.814 64.5-151.5-102.4 130.3 19.6 7.1 10.9 82 82 A A T 4 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.742 97.2 42.7 -66.5 -24.4 16.9 6.2 8.3 83 83 A K T > S+ 0 0 140 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.857 121.8 36.6 -88.5 -38.2 18.9 7.3 5.4 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.8 2,-0.1 3,-0.3 0.840 102.5 69.2 -82.8 -42.1 22.3 5.9 6.4 85 85 A K H X S+ 0 0 82 -4,-2.6 4,-2.7 -7,-0.4 5,-0.2 0.851 99.9 47.9 -48.9 -46.4 21.3 2.6 8.0 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.859 111.9 49.5 -69.3 -35.7 20.2 0.9 4.8 87 87 A V H X S+ 0 0 3 -4,-0.5 4,-0.7 -3,-0.3 3,-0.3 0.946 112.5 48.2 -65.0 -48.1 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.8 3,-1.6 1,-0.2 -3,-0.2 0.946 109.7 52.4 -57.4 -46.2 25.5 0.7 5.8 89 89 A D H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.1 53.7 -59.6 -33.9 23.6 -2.6 6.0 90 90 A S H 3< S+ 0 0 33 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.623 96.7 90.5 -76.9 -13.2 24.1 -3.1 2.3 91 91 A L S << S- 0 0 7 -3,-1.6 31,-0.0 -4,-0.7 30,-0.0 -0.576 72.9-119.3 -91.8 157.6 27.9 -2.7 2.4 92 92 A D > - 0 0 57 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.189 45.9 -92.6 -74.4 169.8 30.9 -5.0 2.8 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.812 121.3 47.4 -57.8 -40.2 33.2 -4.4 5.8 94 94 A V H >> S+ 0 0 25 2,-0.2 4,-1.4 62,-0.2 3,-1.0 0.960 112.7 46.8 -69.6 -53.3 35.7 -2.1 4.0 95 95 A R H 3> S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.832 105.7 62.7 -59.4 -28.9 33.2 0.2 2.4 96 96 A R H 3X S+ 0 0 81 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.904 100.8 52.4 -62.1 -37.9 31.5 0.3 5.8 97 97 A C H S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.901 127.8 53.9 -62.5 -40.9 25.2 12.3 9.8 109 109 A T H > S+ 0 0 123 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.923 109.0 48.2 -63.7 -44.6 23.2 15.3 8.5 110 110 A G H < S+ 0 0 30 -4,-0.7 3,-0.4 2,-0.2 -2,-0.2 0.896 115.6 41.9 -65.0 -43.8 26.0 16.1 6.0 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.902 106.8 62.7 -72.9 -35.9 26.4 12.6 4.7 112 112 A A H 3< S+ 0 0 16 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.787 96.1 63.8 -57.4 -22.9 22.7 12.1 4.6 113 113 A G T 3< S+ 0 0 54 -4,-0.9 2,-1.5 -3,-0.4 -1,-0.3 0.567 75.9 85.6 -78.0 -11.4 22.7 15.0 2.1 114 114 A F <> + 0 0 45 -3,-2.3 4,-2.1 1,-0.2 3,-0.3 -0.331 57.2 161.1 -87.6 58.5 24.7 13.1 -0.5 115 115 A T H > + 0 0 93 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.861 64.8 46.0 -44.1 -56.6 21.5 11.6 -1.8 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.849 113.0 47.1 -60.9 -45.1 22.6 10.5 -5.2 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.804 109.3 55.1 -67.8 -37.3 25.9 8.9 -4.2 118 118 A L H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.897 108.5 50.7 -61.8 -37.6 24.2 7.0 -1.3 119 119 A R H X S+ 0 0 124 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.914 110.3 47.4 -67.0 -44.8 21.8 5.6 -3.9 120 120 A M H <>S+ 0 0 23 -4,-2.1 5,-2.7 2,-0.2 -1,-0.2 0.887 110.8 52.2 -67.5 -36.3 24.6 4.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-2.1 2,-0.2 -2,-0.2 0.941 108.5 50.6 -62.9 -45.6 26.5 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.901 110.9 50.2 -58.2 -35.2 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.435 113.3-121.1 -83.9 5.3 23.2 -0.2 -5.9 124 124 A K T < 5 + 0 0 100 -3,-2.1 2,-1.2 1,-0.2 -3,-0.2 0.791 60.7 148.8 60.6 30.6 26.9 -1.3 -5.9 125 125 A R >< + 0 0 119 -5,-2.7 4,-2.7 1,-0.2 5,-0.2 -0.592 18.2 173.7 -99.3 76.4 27.7 1.1 -8.7 126 126 A W H > + 0 0 52 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.821 69.5 42.9 -49.0 -55.6 31.2 1.7 -7.6 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 115.9 48.5 -64.7 -43.0 32.6 3.8 -10.5 128 128 A E H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 111.6 49.3 -68.3 -40.5 29.5 6.0 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.921 109.2 52.4 -65.2 -39.7 29.4 6.6 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.866 110.1 49.8 -61.8 -38.6 33.2 7.6 -7.0 131 131 A V H < S+ 0 0 91 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.902 112.7 46.0 -66.9 -43.2 32.6 10.1 -9.8 132 132 A N H >< S+ 0 0 42 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.863 106.7 56.9 -69.7 -38.3 29.6 11.7 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.3 6,-0.4 1,-0.2 -1,-0.2 0.825 100.1 61.0 -61.5 -31.8 31.2 12.0 -4.6 134 134 A A T 3< S+ 0 0 28 -4,-0.9 2,-1.4 -3,-0.3 -1,-0.2 0.613 86.1 79.4 -73.5 -14.5 34.1 14.0 -6.2 135 135 A K S < S+ 0 0 158 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 -0.503 79.8 97.1 -93.0 65.4 31.6 16.7 -7.3 136 136 A S S > S- 0 0 17 -2,-1.4 4,-2.2 1,-0.1 3,-0.2 -0.993 85.4-116.6-150.6 158.1 31.4 18.2 -3.9 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.914 115.0 63.9 -57.5 -42.4 32.8 21.0 -1.9 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 106.0 40.7 -47.6 -50.9 34.2 18.3 0.3 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.921 114.9 51.5 -70.3 -44.9 36.4 17.0 -2.5 140 140 A N H < S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 114.5 42.9 -60.1 -38.6 37.4 20.4 -3.7 141 141 A Q H < S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 132.7 17.8 -74.7 -45.1 38.5 21.7 -0.2 142 142 A T S X S+ 0 0 28 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 -0.551 71.3 163.7-129.1 68.5 40.4 18.5 0.9 143 143 A P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.776 70.3 54.4 -59.1 -38.0 41.1 16.5 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.914 116.2 36.7 -66.2 -46.8 43.9 14.1 -0.8 145 145 A R H > S+ 0 0 22 -3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 118.2 52.0 -67.8 -46.8 41.7 12.8 2.1 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.951 108.5 51.9 -55.7 -42.8 38.6 12.9 -0.0 147 147 A K H X S+ 0 0 84 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.855 107.2 52.1 -60.7 -40.3 40.5 10.8 -2.7 148 148 A R H X S+ 0 0 51 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.898 112.7 44.3 -62.7 -44.2 41.5 8.2 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.940 114.2 50.4 -64.6 -46.2 37.8 7.8 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.889 109.2 50.1 -57.3 -46.6 36.6 7.7 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 6,-0.4 0.859 107.4 55.9 -62.5 -35.9 39.1 5.1 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.926 111.4 43.1 -63.9 -38.8 38.1 3.0 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 114.3 51.7 -71.1 -36.7 34.5 3.1 -1.9 154 154 A R H < S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.925 125.2 21.1 -64.6 -47.1 35.5 2.5 -5.4 155 155 A T H < S- 0 0 41 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.574 85.0-135.1-100.1 -21.2 37.7 -0.6 -4.8 156 156 A G S < S+ 0 0 15 -4,-2.1 2,-0.2 -5,-0.4 -62,-0.2 0.781 72.8 105.5 66.1 23.5 36.5 -2.0 -1.5 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.806 79.8-119.2-128.7 172.0 40.2 -2.4 -0.5 158 158 A W S >> S+ 0 0 34 -2,-0.2 3,-1.7 1,-0.2 4,-0.7 0.171 72.7 121.4 -95.3 16.5 42.7 -0.6 1.8 159 159 A D G >4 + 0 0 103 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.821 65.5 55.6 -49.8 -42.7 44.9 0.3 -1.1 160 160 A A G 34 S+ 0 0 16 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.668 113.9 40.9 -69.7 -14.4 44.9 4.1 -0.7 161 161 A Y G <4 S+ 0 0 0 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.392 89.4 93.0-107.3 -5.8 46.0 3.9 3.0 162 162 A K S << S+ 0 0 128 -3,-1.0 -2,-0.1 -4,-0.7 -1,-0.1 0.760 89.2 41.9 -68.8 -18.6 48.5 1.2 2.5 163 163 A N 0 0 123 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.871 360.0 360.0 -87.8 -40.8 51.4 3.5 2.0 164 164 A L 0 0 111 -4,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.590 360.0 360.0 -65.3 360.0 50.4 5.9 4.8