==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-97 242L . 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) . 8921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.9 43.4 -1.9 9.3 2 2 A N > - 0 0 71 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.880 360.0 -82.6-152.9 175.3 40.1 -0.8 10.9 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.843 125.0 51.3 -54.2 -40.6 38.0 2.3 11.3 4 4 A F H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 113.1 43.6 -65.7 -50.0 40.0 3.6 14.2 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.872 113.0 54.0 -62.1 -38.2 43.3 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.949 112.7 41.1 -61.6 -51.2 41.7 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.4 0.848 108.0 60.8 -71.0 -26.7 40.5 7.9 10.9 8 8 A R H X S+ 0 0 99 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.927 108.7 46.6 -64.3 -32.4 43.7 8.3 13.0 9 9 A I H < S+ 0 0 47 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.3 42.4 -71.7 -47.3 45.5 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 124.6 33.6 -73.9 -28.0 43.1 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-3.1 19,-0.4 -5,-0.2 -2,-0.2 0.725 91.1-153.6 -99.4 -23.9 42.6 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.218 23.9 -88.1 76.9-170.7 46.0 13.1 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.968 43.2 170.1-142.4 123.4 46.5 13.7 16.6 14 14 A R E -A 28 0A 145 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.997 20.6-160.3-137.3 129.7 47.1 17.1 18.3 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.409 74.5 58.1 -88.9 -5.4 47.1 17.7 22.0 16 16 A K E S-C 57 0B 129 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.885 102.1 -83.3-121.9 156.1 46.4 21.5 22.0 17 17 A I E + 0 0 31 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.264 58.0 169.0 -52.7 143.6 43.6 23.3 20.4 18 18 A Y E -A 26 0A 26 8,-2.5 8,-2.9 -4,-0.1 2,-0.4 -0.887 36.1-100.5-145.4 177.5 44.0 23.9 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.866 34.0-140.5-104.4 132.4 42.0 25.0 13.7 20 20 A D > - 0 0 51 4,-2.9 3,-1.6 -2,-0.4 -1,-0.1 -0.030 42.8 -75.8 -76.7-164.5 40.7 22.4 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.734 135.3 47.4 -64.3 -26.0 40.6 22.6 7.5 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.390 122.8-103.5 -96.7 4.3 37.6 24.9 7.8 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.558 75.8 140.0 84.4 13.4 39.1 27.2 10.5 24 24 A Y - 0 0 83 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.779 60.1-104.7 -93.0 137.0 37.0 25.6 13.4 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-3.0 11,-0.4 9,-1.3 -0.433 53.1 159.2 -62.6 127.4 38.5 24.9 16.7 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.5 6,-0.3 2,-0.3 -0.863 19.1-167.6-140.3 169.6 39.3 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-2.0 4,-2.1 -2,-0.3 2,-0.3 -0.989 51.7 8.7-154.3 168.1 41.4 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.7 -0.507 121.6 -9.7 72.2-134.8 42.5 15.5 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.1 -0.756 128.8 -48.5-103.4 72.9 41.7 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.7 2,-1.0 -19,-0.4 -2,-0.2 0.744 85.7 159.6 73.7 21.3 39.4 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-2.0 1,-0.0 2,-0.2 -0.685 32.5-145.4 -83.7 102.9 37.2 16.4 17.8 32 32 A L E -B 26 0A 77 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.410 16.4-174.2 -63.8 128.2 35.4 19.5 16.8 33 33 A L E - 0 0 13 -8,-3.0 2,-0.3 1,-0.3 -7,-0.2 0.905 58.4 -35.3 -91.2 -43.3 35.0 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.952 35.9-130.5-169.3 159.0 32.8 24.6 18.3 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.427 72.6 115.1 -96.8 -0.7 32.2 26.6 15.1 36 36 A S S S- 0 0 41 1,-0.2 -11,-0.4 2,-0.1 6,-0.1 -0.454 72.5-130.3 -72.7 144.6 32.4 29.8 17.0 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.550 77.9 104.0 -67.1 -8.5 35.2 32.1 16.2 38 38 A S > - 0 0 47 1,-0.1 4,-2.0 -13,-0.0 5,-0.1 -0.688 56.9-160.3 -90.1 124.5 36.0 32.5 19.8 39 39 A L H > S+ 0 0 70 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.793 95.9 55.7 -66.9 -29.2 38.9 30.8 21.6 40 40 A N H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 105.7 51.3 -70.7 -43.2 37.3 31.2 24.9 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.924 112.1 47.9 -58.9 -40.6 34.2 29.4 23.7 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.908 109.8 51.9 -66.8 -38.5 36.4 26.6 22.5 43 43 A K H X S+ 0 0 61 -4,-2.4 4,-1.8 1,-0.2 11,-0.2 0.903 109.8 49.6 -66.7 -31.9 38.3 26.5 25.7 44 44 A S H X S+ 0 0 73 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.904 109.6 49.1 -76.2 -34.7 35.1 26.2 27.6 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.903 109.3 56.0 -70.1 -35.3 33.7 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.917 107.7 46.9 -62.0 -36.9 37.0 21.6 25.9 47 47 A D H X>S+ 0 0 39 -4,-1.8 5,-1.7 2,-0.2 4,-1.6 0.883 111.8 49.5 -72.2 -34.5 36.7 21.8 29.7 48 48 A K H <5S+ 0 0 138 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.903 113.2 48.2 -69.0 -42.4 33.2 20.6 29.6 49 49 A A H <5S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.891 118.7 38.5 -67.3 -41.9 34.2 17.7 27.3 50 50 A A H <5S- 0 0 27 -4,-2.5 -1,-0.2 2,-0.3 -2,-0.2 0.627 104.3-127.1 -86.3 -14.0 37.2 16.7 29.4 51 51 A G T <5S+ 0 0 67 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.871 77.6 69.4 75.9 29.7 35.5 17.3 32.8 52 52 A R S - 0 0 9 -2,-0.8 3,-1.2 -11,-0.2 -1,-0.2 0.717 31.1-143.1 -96.7 -21.5 42.3 22.0 30.8 55 55 A N T 3 S- 0 0 131 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.831 71.4 -61.5 63.3 28.0 43.8 25.2 29.9 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.6 1,-0.2 2,-0.3 0.485 117.7 94.9 76.9 9.2 43.6 24.1 26.2 57 57 A V B < -C 16 0B 54 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.983 47.2-178.7-128.4 139.8 45.8 21.0 26.4 58 58 A I - 0 0 4 -43,-2.0 2,-0.1 -2,-0.3 -30,-0.1 -0.846 27.2-110.0-130.1 169.9 44.7 17.4 27.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.428 32.6-103.0 -93.5 175.9 46.7 14.2 27.3 60 60 A K H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 120.3 53.9 -61.8 -47.3 46.8 11.4 24.9 61 61 A D H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 108.9 49.9 -58.2 -39.1 44.5 9.1 26.8 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 109.6 51.7 -69.1 -40.5 41.8 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.935 110.5 49.4 -61.7 -39.1 42.2 12.4 23.1 64 64 A E H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.842 108.8 52.0 -70.3 -26.7 41.7 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.924 108.6 48.3 -76.2 -36.8 38.7 8.8 24.9 66 66 A L H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.929 111.0 54.8 -65.1 -36.3 37.0 11.5 23.0 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.943 105.4 50.0 -61.0 -45.6 37.9 9.6 19.8 68 68 A N H X S+ 0 0 92 -4,-2.2 4,-2.2 1,-0.3 5,-0.2 0.928 112.8 48.4 -60.1 -40.7 36.2 6.4 21.0 69 69 A Q H X S+ 0 0 100 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.916 110.9 50.2 -69.6 -38.4 33.1 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.871 110.5 48.0 -71.6 -35.9 33.0 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.929 112.0 50.3 -65.4 -44.1 33.3 7.0 16.6 72 72 A D H X S+ 0 0 98 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.937 111.4 49.3 -58.5 -42.8 30.6 5.3 18.6 73 73 A A H X S+ 0 0 57 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.884 108.1 52.6 -67.3 -33.4 28.4 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.949 111.8 46.5 -66.0 -46.1 29.0 8.3 14.3 75 75 A V H X S+ 0 0 35 -4,-2.7 4,-2.5 1,-0.2 3,-0.2 0.961 113.6 47.4 -60.1 -46.8 28.0 4.7 14.0 76 76 A R H X S+ 0 0 142 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.871 108.6 55.9 -64.2 -33.8 24.9 5.2 16.2 77 77 A G H X S+ 0 0 4 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.891 107.9 48.2 -61.9 -39.7 24.0 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 7,-0.5 0.954 109.3 53.3 -65.4 -46.9 24.1 6.2 10.9 79 79 A L H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.701 112.1 45.3 -63.8 -21.3 22.0 3.4 12.5 80 80 A R H 3< S+ 0 0 183 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.398 92.5 93.5 -97.3 -4.1 19.3 5.9 13.5 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.859 100.2 67.0 -92.8 -38.2 21.8 6.0 6.0 85 85 A K H X S+ 0 0 84 -4,-3.5 4,-2.9 -7,-0.5 5,-0.2 0.897 99.2 51.2 -51.4 -44.8 21.0 2.9 7.8 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.910 112.1 48.6 -63.8 -30.0 19.8 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.3 3,-0.5 0.966 111.5 47.3 -73.0 -47.0 23.0 1.9 2.9 88 88 A Y H >< S+ 0 0 30 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.923 110.4 52.8 -57.8 -44.2 25.2 0.9 5.8 89 89 A D H 3< S+ 0 0 74 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.835 107.2 54.9 -65.3 -25.9 23.4 -2.5 6.2 90 90 A S H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.689 96.0 82.9 -79.6 -20.2 23.9 -3.2 2.4 91 91 A L S << S- 0 0 6 -4,-1.0 31,-0.0 -3,-0.8 30,-0.0 -0.508 77.6-115.1 -85.9 159.7 27.7 -2.8 2.4 92 92 A D > - 0 0 56 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.193 45.5 -91.4 -78.8 174.3 30.6 -5.1 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.863 121.8 49.7 -63.2 -35.4 32.8 -4.3 6.3 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.4 1,-0.2 3,-0.3 0.961 113.4 46.2 -70.9 -45.0 35.5 -2.2 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.828 105.1 60.6 -66.0 -32.8 33.0 -0.0 2.8 96 96 A R H X S+ 0 0 79 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.931 103.0 54.9 -55.6 -39.0 31.0 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.905 103.1 53.5 -63.6 -38.7 34.2 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.866 108.6 48.8 -66.3 -32.4 34.3 4.4 4.5 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.920 108.9 52.6 -72.4 -35.8 30.8 5.6 5.2 100 100 A I H X S+ 0 0 10 -4,-2.7 4,-3.6 2,-0.2 5,-0.2 0.946 107.6 54.1 -64.5 -37.2 31.5 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 5,-0.3 0.950 108.9 48.0 -59.5 -46.2 34.6 8.2 8.0 102 102 A M H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.946 112.6 47.2 -59.9 -45.3 32.5 10.4 5.9 103 103 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 109.8 54.4 -66.2 -35.5 29.9 10.8 8.7 104 104 A F H < S+ 0 0 31 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.927 116.1 38.0 -61.3 -38.9 32.7 11.5 11.2 105 105 A Q H < S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.886 133.1 19.6 -78.2 -46.3 34.0 14.4 9.1 106 106 A M H X S- 0 0 55 -4,-3.0 4,-0.5 -5,-0.3 -3,-0.2 0.591 103.6-111.9-110.9 -3.6 30.9 15.9 7.8 107 107 A G H X - 0 0 32 -4,-2.6 4,-2.4 -5,-0.4 3,-0.3 0.187 32.7 -84.1 85.7 147.0 28.0 14.8 10.0 108 108 A E H > S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.828 127.6 52.0 -54.7 -36.5 25.1 12.6 9.4 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.896 107.4 51.7 -66.9 -45.4 23.1 15.4 7.8 110 110 A G H >< S+ 0 0 34 -4,-0.5 3,-0.7 -3,-0.3 4,-0.2 0.930 114.9 41.7 -55.5 -53.6 25.8 16.2 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.886 104.3 62.9 -66.0 -42.9 26.2 12.7 4.3 112 112 A A H 3< S+ 0 0 8 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.727 96.4 66.0 -57.2 -20.7 22.5 12.0 4.1 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.8 -3,-0.7 -1,-0.3 0.636 73.5 86.4 -77.7 -10.6 22.4 14.7 1.5 114 114 A F <> + 0 0 39 -3,-2.6 4,-2.4 -4,-0.2 5,-0.3 -0.301 57.8 160.2 -81.5 56.2 24.6 12.8 -1.0 115 115 A T H > + 0 0 83 -2,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.856 64.5 45.8 -46.1 -50.6 21.4 11.2 -2.3 116 116 A N H > S+ 0 0 98 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.893 113.9 47.4 -67.4 -40.8 22.5 10.1 -5.6 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.900 109.3 53.6 -66.7 -39.6 25.8 8.6 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 107.9 53.2 -59.4 -43.7 24.1 6.7 -1.6 119 119 A R H X S+ 0 0 157 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.939 109.8 45.9 -59.7 -42.7 21.8 5.2 -4.1 120 120 A M H <>S+ 0 0 34 -4,-1.9 5,-2.6 1,-0.2 4,-0.4 0.862 110.9 52.7 -68.7 -33.5 24.6 4.0 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.924 108.3 51.4 -67.7 -41.1 26.4 2.6 -3.3 122 122 A Q H 3<5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.871 110.4 48.2 -59.4 -35.9 23.3 0.7 -2.4 123 123 A Q T 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.484 112.4-122.7 -80.0 -8.1 23.1 -0.7 -6.0 124 124 A K T < 5 + 0 0 95 -3,-1.5 2,-1.4 -4,-0.4 -3,-0.2 0.771 60.4 149.6 68.1 31.0 26.7 -1.6 -5.7 125 125 A R >< + 0 0 87 -5,-2.6 4,-2.4 1,-0.2 5,-0.2 -0.692 21.7 177.3 -95.0 79.5 27.6 0.5 -8.9 126 126 A W H > + 0 0 52 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.900 67.7 43.3 -53.5 -57.7 31.1 1.2 -7.6 127 127 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 115.1 51.8 -60.5 -36.7 32.7 3.1 -10.3 128 128 A E H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 108.5 48.9 -64.4 -43.6 29.7 5.2 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.878 109.4 55.6 -64.5 -35.1 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.926 109.0 45.5 -63.1 -43.8 33.0 7.0 -7.2 131 131 A V H X S+ 0 0 88 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.959 114.1 48.2 -65.4 -45.2 32.6 9.4 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.934 106.7 56.0 -61.4 -42.1 29.5 10.9 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.849 100.6 62.4 -59.3 -31.0 31.1 11.3 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.5 2,-1.6 -3,-0.3 -1,-0.2 0.693 84.8 76.3 -65.6 -23.3 33.9 13.4 -6.6 135 135 A K S << S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 -0.592 81.0 98.3 -88.0 68.9 31.5 16.1 -7.8 136 136 A S S > S- 0 0 17 -2,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.991 83.9-117.4-153.4 155.4 31.2 17.7 -4.4 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 114.2 64.0 -61.0 -38.4 32.6 20.5 -2.4 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.934 105.1 44.4 -46.8 -49.7 34.0 17.8 -0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.5 48.1 -68.6 -39.0 36.2 16.5 -2.8 140 140 A N H < S+ 0 0 110 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.7 42.7 -73.2 -29.0 37.4 19.9 -4.0 141 141 A Q H < S+ 0 0 109 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.873 133.0 18.3 -86.5 -36.8 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 -0.581 74.2 159.4-132.7 70.3 39.9 18.0 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.844 68.7 54.0 -62.3 -39.5 40.9 16.0 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.953 116.0 38.3 -66.2 -42.9 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 115.1 53.3 -68.2 -45.7 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.909 107.3 53.9 -58.0 -37.5 38.3 12.3 -0.2 147 147 A K H X S+ 0 0 92 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.888 107.0 51.0 -63.7 -37.1 40.4 10.3 -2.7 148 148 A R H X S+ 0 0 54 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.920 113.8 42.9 -66.6 -42.5 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.921 114.1 51.2 -66.8 -45.1 37.7 7.3 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.939 110.2 49.3 -58.1 -41.8 36.4 7.2 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.7 4,-2.6 -5,-0.2 6,-0.4 0.881 107.5 56.8 -66.9 -28.8 39.0 4.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.924 110.1 43.3 -65.2 -48.0 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.0 50.6 -66.4 -32.6 34.3 2.6 -1.7 154 154 A R H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.923 123.8 24.6 -72.2 -41.4 35.4 1.7 -5.2 155 155 A T H < S- 0 0 45 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.680 86.0-136.5-100.4 -22.8 37.6 -1.2 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.2 -5,-0.3 -62,-0.2 0.694 72.0 100.6 74.3 17.4 36.4 -2.5 -1.1 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.791 80.3-118.7-127.4 173.7 40.0 -2.9 0.1 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.5 1,-0.2 4,-1.3 0.201 72.2 121.7 -97.6 18.2 42.3 -0.8 2.3 159 159 A D T 34 + 0 0 92 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.823 67.0 57.8 -51.7 -35.1 44.8 -0.2 -0.4 160 160 A A T 34 S+ 0 0 26 -3,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.662 112.6 43.9 -69.3 -14.3 44.6 3.7 -0.3 161 161 A Y T X4 S+ 0 0 1 -3,-2.5 3,-0.5 -13,-0.1 -1,-0.2 0.593 85.3 102.3-102.3 -20.3 45.6 3.4 3.4 162 162 A K T 3< S+ 0 0 107 -4,-1.3 2,-0.2 -3,-0.3 0, 0.0 -0.540 84.2 32.8 -68.8 131.0 48.4 0.8 3.2 163 163 A N T 3 0 0 167 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.1 -0.608 360.0 360.0 120.3 -58.5 51.7 2.8 3.4 164 164 A L < 0 0 137 -3,-0.5 -2,-0.1 -2,-0.2 -3,-0.0 0.508 360.0 360.0 -45.4 360.0 50.5 5.7 5.8