==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 01-MAY-89 1L21 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8665.0 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 . 12 7.3 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 1 0 1 2 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 80 0, 0.0 2,-0.2 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.7 36.9 -23.6 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.4 1,-0.0 5,-0.2 -0.822 360.0 -86.9-142.4 174.2 34.8 -21.0 10.9 3 3 A I H > S+ 0 0 21 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.886 123.8 52.4 -54.6 -44.0 34.4 -17.2 11.3 4 4 A F H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 111.7 43.3 -61.1 -47.5 37.0 -17.2 14.1 5 5 A E H > S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.876 112.9 54.3 -66.5 -34.7 39.6 -19.0 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.916 112.4 42.8 -63.6 -43.7 38.9 -16.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.4 0.820 106.9 59.2 -72.7 -32.2 39.4 -13.7 10.9 8 8 A R H X S+ 0 0 109 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.837 107.2 50.0 -65.2 -28.1 42.4 -14.8 12.7 9 9 A I H < S+ 0 0 53 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 114.4 42.2 -74.0 -46.1 44.0 -15.4 9.3 10 10 A D H < S+ 0 0 20 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.796 124.6 31.9 -72.3 -32.5 43.1 -12.0 7.9 11 11 A E H < S- 0 0 30 -4,-2.1 19,-0.4 1,-0.1 -3,-0.2 0.642 90.9-150.5-102.6 -23.0 43.9 -9.9 11.0 12 12 A G < - 0 0 19 -4,-1.2 2,-0.4 -5,-0.4 -1,-0.1 -0.172 22.7 -88.0 75.7-179.7 46.8 -11.7 12.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.990 43.1 172.1-133.4 123.7 47.5 -11.6 16.4 14 14 A R E -A 28 0A 133 14,-1.1 14,-2.4 -2,-0.4 4,-0.1 -0.995 20.1-163.9-137.1 128.5 49.7 -9.0 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.378 75.3 63.2 -90.1 -2.4 50.2 -8.5 21.9 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 101.0 -88.7-125.0 142.2 51.7 -5.0 21.7 17 17 A I E + 0 0 19 39,-1.3 2,-0.3 -2,-0.3 10,-0.2 -0.239 58.1 170.2 -50.8 136.5 49.9 -1.8 20.4 18 18 A Y E -A 26 0A 31 8,-2.8 8,-2.4 -4,-0.1 2,-0.4 -0.854 34.4-104.3-139.4 177.6 50.5 -1.5 16.7 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.889 32.2-136.4-109.2 140.9 49.2 0.5 13.8 20 20 A D > - 0 0 48 4,-2.2 3,-2.1 -2,-0.4 -1,-0.1 -0.144 40.9 -81.7 -83.3-179.9 46.8 -0.9 11.3 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.823 133.6 48.8 -56.1 -28.8 46.9 -0.6 7.5 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.460 123.6-103.0 -90.3 -3.3 45.2 2.8 7.9 23 23 A G S < S+ 0 0 34 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.465 74.3 138.8 93.8 9.4 47.6 4.0 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.3 -0.630 60.9 -99.9 -95.3 150.8 45.4 3.6 13.6 25 25 A Y E +AB 19 34A 32 9,-0.7 8,-3.5 11,-0.4 9,-1.3 -0.435 55.2 157.5 -66.8 122.8 46.2 2.2 17.0 26 26 A T E -AB 18 32A 4 -8,-2.4 -8,-2.8 6,-0.3 2,-0.3 -0.880 19.8-168.1-142.1 162.7 45.1 -1.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.965 51.5 0.5-154.0 162.4 45.9 -4.5 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.1 -2,-0.3 2,-1.0 -0.340 123.1 -2.8 64.2-132.5 45.2 -8.3 19.4 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -16,-0.1 -0.659 127.6 -56.2 -96.0 70.2 43.1 -9.7 16.6 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.766 81.9 160.5 65.1 30.7 42.3 -6.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.1 -4,-1.4 32,-0.0 -1,-0.2 -0.697 33.3-142.1 -88.7 106.6 40.7 -4.6 17.7 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.385 18.9-175.8 -60.6 128.7 40.8 -0.9 16.9 33 33 A L E - 0 0 13 -8,-3.5 2,-0.3 1,-0.3 -7,-0.2 0.903 60.5 -21.7 -94.0 -45.0 41.6 1.3 19.9 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.3 -0.977 35.5-140.0-160.1 148.4 41.3 4.9 18.6 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.428 75.9 114.9 -89.4 0.6 41.4 6.8 15.4 36 36 A S S S- 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.479 71.4-134.5 -74.6 139.2 43.3 9.4 17.5 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.578 75.4 104.1 -70.3 -4.1 47.0 10.1 16.7 38 38 A S > - 0 0 47 1,-0.2 4,-1.6 2,-0.1 3,-0.4 -0.658 56.5-161.0 -89.0 123.1 47.9 10.0 20.3 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.795 99.8 56.6 -62.5 -23.1 49.7 6.8 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.905 100.3 51.4 -77.0 -36.8 48.5 8.1 24.9 41 41 A A H > S+ 0 0 29 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.793 111.5 53.0 -64.7 -32.2 44.9 8.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.867 106.1 49.1 -69.4 -46.1 45.5 4.5 22.8 43 43 A K H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 11,-0.3 0.875 111.2 52.2 -65.9 -30.5 46.9 3.4 26.0 44 44 A S H X S+ 0 0 75 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.901 111.2 45.1 -70.0 -40.3 44.0 5.0 27.8 45 45 A E H X S+ 0 0 66 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 111.5 55.2 -67.3 -43.5 41.5 3.2 25.6 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 5,-0.4 0.934 108.0 46.0 -56.4 -49.0 43.4 -0.0 26.0 47 47 A D H X>S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 5,-0.6 0.861 111.9 52.5 -64.2 -33.2 43.3 0.1 29.8 48 48 A K H <5S+ 0 0 146 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 109.3 51.4 -69.6 -34.7 39.6 0.9 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 119.6 31.5 -69.0 -39.0 39.0 -2.1 27.5 50 50 A I H <5S- 0 0 38 -4,-1.9 -2,-0.2 2,-0.3 -1,-0.2 0.712 101.4-124.8 -95.4 -28.9 40.9 -4.7 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.0 2,-0.3 1,-0.4 -3,-0.2 0.744 79.0 73.8 89.1 18.1 40.2 -3.2 33.0 52 52 A R S > - 0 0 69 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.572 35.6-103.7 -92.6 165.6 48.2 -11.5 27.1 60 60 A K H 3> S+ 0 0 111 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.862 122.1 54.6 -51.3 -43.3 46.8 -14.1 24.5 61 61 A D H 3> S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.899 105.9 49.1 -59.7 -45.0 43.8 -14.6 26.7 62 62 A E H <> S+ 0 0 37 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.876 109.4 54.3 -62.1 -39.8 43.0 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -34,-0.5 0.798 110.6 45.8 -63.3 -31.2 43.3 -10.8 23.0 64 64 A E H X S+ 0 0 75 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.829 107.6 55.9 -82.3 -33.5 40.8 -13.6 22.7 65 65 A K H X S+ 0 0 137 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.952 110.5 45.5 -62.8 -45.3 38.5 -12.1 25.0 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.891 111.0 54.4 -61.4 -40.8 38.4 -9.0 22.9 67 67 A F H X S+ 0 0 12 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.939 106.1 51.2 -61.1 -48.4 38.1 -11.1 19.8 68 68 A N H X S+ 0 0 89 -4,-3.2 4,-2.2 1,-0.2 5,-0.3 0.946 110.8 48.9 -55.6 -46.5 35.0 -12.9 21.1 69 69 A Q H X S+ 0 0 101 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.923 111.3 49.9 -59.7 -41.7 33.3 -9.5 22.0 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.859 109.6 48.2 -67.3 -36.8 34.0 -8.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.918 114.2 48.4 -68.9 -41.2 32.7 -11.0 16.6 72 72 A D H X S+ 0 0 87 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.952 111.3 49.3 -62.3 -47.1 29.6 -11.0 18.7 73 73 A A H X S+ 0 0 43 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.888 109.6 52.8 -60.0 -38.7 29.2 -7.3 18.3 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 110.3 46.8 -64.1 -44.3 29.6 -7.7 14.5 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 113.5 47.3 -63.1 -47.0 26.9 -10.3 14.2 76 76 A R H X S+ 0 0 112 -4,-2.4 4,-1.6 1,-0.2 5,-0.2 0.928 109.5 55.6 -61.0 -44.2 24.3 -8.3 16.4 77 77 A G H >< S+ 0 0 3 -4,-2.4 3,-0.5 -5,-0.3 4,-0.4 0.927 108.6 47.0 -55.6 -45.4 25.1 -5.2 14.4 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 7,-0.5 0.942 111.6 50.6 -61.6 -46.6 24.2 -7.1 11.2 79 79 A L H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.641 112.9 46.3 -66.5 -19.3 21.0 -8.5 12.6 80 80 A R T << S+ 0 0 166 -4,-1.6 2,-0.6 -3,-0.5 -1,-0.3 0.284 92.3 96.5-100.5 -2.7 19.9 -5.0 13.8 81 81 A N <> - 0 0 20 -3,-1.2 4,-2.5 -4,-0.4 3,-0.3 -0.810 65.6-149.1 -95.7 129.7 20.7 -3.3 10.7 82 82 A A T 4 S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.752 97.8 41.6 -66.3 -21.1 17.8 -2.8 8.3 83 83 A K T 4 S+ 0 0 137 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.728 120.4 40.9 -93.1 -24.2 20.0 -3.0 5.3 84 84 A L T > S+ 0 0 0 -3,-0.3 4,-2.4 -6,-0.2 3,-0.4 0.851 99.9 67.5 -89.7 -41.0 22.1 -5.8 6.4 85 85 A K H X S+ 0 0 78 -4,-2.5 4,-3.0 -7,-0.5 5,-0.2 0.895 98.8 51.8 -49.6 -50.6 19.7 -8.3 8.0 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.883 111.8 46.7 -59.5 -39.6 17.8 -9.2 4.8 87 87 A V H > S+ 0 0 2 -3,-0.4 4,-0.8 -4,-0.4 3,-0.4 0.957 113.1 49.4 -65.4 -48.0 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.954 109.8 50.5 -54.1 -52.7 22.4 -12.1 5.8 89 89 A D H 3< S+ 0 0 81 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.7 54.7 -57.1 -30.2 19.1 -14.0 6.1 90 90 A S H 3< S+ 0 0 32 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.587 96.0 86.3 -78.8 -15.3 19.3 -14.7 2.4 91 91 A L S << S- 0 0 6 -3,-1.6 31,-0.0 -4,-0.8 30,-0.0 -0.559 75.4-115.3 -94.0 155.5 22.8 -16.3 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.128 45.5 -92.5 -71.8 175.5 24.2 -19.8 3.0 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.854 122.7 47.2 -60.6 -37.5 26.5 -20.5 6.0 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.1 62,-0.2 3,-0.4 0.954 112.5 46.9 -68.8 -53.1 29.8 -19.8 4.2 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.850 104.8 62.5 -57.2 -36.6 28.8 -16.6 2.5 96 96 A R H X S+ 0 0 77 -4,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.930 99.7 55.4 -55.6 -42.6 27.4 -15.4 5.8 97 97 A C H X S+ 0 0 17 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.892 103.3 54.8 -55.8 -40.3 31.0 -15.7 7.0 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.888 109.0 45.8 -63.9 -40.0 32.2 -13.3 4.2 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.877 110.1 54.6 -72.5 -36.6 29.7 -10.5 5.2 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.937 106.7 52.5 -61.7 -38.4 30.6 -10.9 8.8 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.951 108.6 49.0 -59.7 -49.5 34.3 -10.4 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.912 111.6 49.9 -56.3 -45.6 33.5 -7.1 6.0 103 103 A V H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 108.1 53.2 -64.0 -38.9 31.5 -5.8 8.9 104 104 A F H < S+ 0 0 31 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.917 118.5 36.1 -61.3 -40.8 34.4 -6.6 11.3 105 105 A Q H < S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.953 132.5 22.0 -76.8 -54.5 36.8 -4.7 9.2 106 106 A M H X S- 0 0 52 -4,-3.2 4,-0.6 -5,-0.2 -3,-0.2 0.500 101.2-117.3-100.9 -4.1 34.8 -1.8 7.9 107 107 A G H X - 0 0 31 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.161 33.4 -80.2 79.5 155.7 31.8 -1.4 10.3 108 108 A E H > S+ 0 0 57 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.890 126.8 53.0 -52.0 -52.4 28.1 -1.6 9.7 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.909 109.2 47.1 -56.7 -49.8 27.8 1.8 8.2 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.6 2,-0.2 -1,-0.2 0.923 114.9 44.2 -60.5 -50.8 30.5 1.2 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-2.7 1,-0.2 -2,-0.2 0.926 107.2 60.9 -61.0 -42.0 29.3 -2.1 4.5 112 112 A A H 3< S+ 0 0 14 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 95.6 65.0 -55.0 -26.0 25.7 -0.7 4.4 113 113 A G T << S+ 0 0 56 -4,-1.1 2,-1.0 -3,-0.6 -1,-0.3 0.529 75.7 87.7 -74.3 -8.4 27.1 1.8 1.8 114 114 A F X> + 0 0 37 -3,-2.7 4,-2.3 1,-0.2 3,-0.5 -0.210 55.4 158.4 -86.4 48.0 27.7 -1.0 -0.7 115 115 A T H 3> + 0 0 90 -2,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.811 66.7 42.8 -37.5 -60.0 24.1 -0.7 -2.0 116 116 A N H 3> S+ 0 0 85 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.856 115.7 48.4 -63.6 -38.2 24.5 -2.2 -5.4 117 117 A S H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.856 108.6 54.4 -69.6 -36.9 26.7 -5.1 -4.2 118 118 A L H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 108.5 50.6 -60.0 -43.3 24.2 -5.9 -1.4 119 119 A R H X S+ 0 0 121 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.918 110.4 47.8 -61.6 -48.9 21.4 -6.1 -4.0 120 120 A M H X>S+ 0 0 25 -4,-1.9 5,-2.0 2,-0.2 4,-0.6 0.911 110.3 52.1 -64.3 -40.4 23.3 -8.5 -6.3 121 121 A L H ><5S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.963 108.9 51.1 -60.9 -42.8 24.2 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.898 110.9 47.7 -58.8 -37.6 20.6 -10.9 -2.4 123 123 A Q H 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.461 112.2-123.0 -82.0 -4.0 19.7 -11.9 -5.9 124 124 A K T <<5 + 0 0 98 -3,-1.7 2,-1.2 -4,-0.6 -3,-0.2 0.757 59.5 148.5 64.1 33.7 22.4 -14.5 -5.9 125 125 A R >< + 0 0 120 -5,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.693 21.0 176.6 -97.0 76.3 24.3 -13.1 -8.9 126 126 A W H > S+ 0 0 49 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.862 70.3 46.8 -50.4 -53.5 27.7 -14.3 -7.6 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 114.6 47.2 -61.7 -40.0 29.9 -13.3 -10.5 128 128 A E H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 109.9 51.4 -73.0 -35.8 28.4 -9.9 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.871 107.3 54.7 -66.6 -37.4 28.6 -9.1 -7.2 130 130 A A H X S+ 0 0 10 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.909 108.7 48.0 -60.4 -44.2 32.3 -10.1 -7.2 131 131 A V H < S+ 0 0 91 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.890 114.3 46.3 -63.7 -44.2 33.1 -7.7 -10.0 132 132 A N H >< S+ 0 0 43 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.871 106.6 56.7 -69.7 -40.8 31.2 -4.8 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.855 100.4 61.7 -60.6 -28.0 32.7 -5.4 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.0 2,-1.1 1,-0.2 -1,-0.2 0.612 85.6 78.8 -73.0 -13.0 36.2 -5.0 -6.5 135 135 A K S < S+ 0 0 154 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 -0.538 79.5 95.2 -95.8 63.0 35.4 -1.4 -7.5 136 136 A S S > S- 0 0 22 -2,-1.1 4,-2.0 -3,-0.1 3,-0.2 -0.977 85.6-113.5-148.8 159.5 36.0 0.1 -4.1 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.908 115.6 63.1 -56.1 -43.0 38.6 1.9 -2.0 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.906 105.1 42.8 -47.5 -53.3 38.5 -1.3 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 115.5 49.0 -65.0 -45.1 39.7 -3.6 -2.6 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.837 115.1 43.9 -64.5 -35.5 42.4 -1.1 -3.8 141 141 A Q H < S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 131.9 18.1 -78.3 -40.8 43.7 -0.5 -0.3 142 142 A T S X S+ 0 0 24 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 -0.556 73.6 163.5-132.2 66.8 43.8 -4.2 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.794 69.9 52.2 -57.0 -39.9 43.7 -6.2 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.928 115.8 40.3 -66.3 -44.2 44.9 -9.6 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.945 115.0 51.8 -67.9 -49.7 42.3 -9.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -8,-0.2 -2,-0.2 0.930 107.6 53.1 -54.3 -43.6 39.6 -8.3 -0.3 147 147 A K H X S+ 0 0 90 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.845 107.5 52.4 -59.6 -36.9 40.2 -11.0 -3.0 148 148 A R H X S+ 0 0 51 -4,-1.4 4,-1.6 -3,-0.3 12,-0.2 0.952 112.9 42.7 -63.4 -48.1 39.9 -13.7 -0.4 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.885 114.5 51.7 -62.5 -43.2 36.5 -12.3 0.9 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.932 107.9 50.2 -62.6 -45.5 35.4 -11.8 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.4 4,-3.1 1,-0.2 6,-0.4 0.843 107.7 56.1 -60.9 -35.2 36.3 -15.4 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.884 111.0 42.8 -62.4 -42.8 34.3 -16.6 -0.6 153 153 A F H < S+ 0 0 3 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.873 115.5 51.0 -71.3 -38.3 31.2 -14.7 -1.9 154 154 A R H < S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.929 124.9 22.7 -64.1 -50.9 31.8 -15.9 -5.4 155 155 A T H < S- 0 0 46 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.724 84.9-134.5 -98.1 -22.4 32.2 -19.5 -4.7 156 156 A G S < S+ 0 0 18 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.716 73.9 98.4 77.9 14.3 30.5 -20.3 -1.4 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.882 82.2-116.4-131.9 169.7 33.5 -22.4 -0.3 158 158 A W S >> S+ 0 0 29 -2,-0.3 3,-1.0 1,-0.2 4,-0.6 0.003 71.3 123.0 -91.2 24.1 36.6 -21.9 1.9 159 159 A D G >4 + 0 0 99 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.866 65.9 58.0 -54.9 -43.1 39.0 -22.3 -1.0 160 160 A A G 34 S+ 0 0 14 -3,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.710 113.1 40.7 -64.1 -18.6 40.7 -18.9 -0.6 161 161 A Y G <4 S+ 0 0 1 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.479 93.9 79.0-107.3 -1.7 41.7 -19.8 2.9 162 162 A K S << S+ 0 0 139 -3,-1.3 -2,-0.1 -4,-0.6 -1,-0.1 0.575 92.6 55.2 -86.5 -5.2 42.7 -23.4 2.5 163 163 A N 0 0 131 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.926 360.0 360.0 -70.8 -57.1 45.9 -22.3 1.2 164 164 A L 0 0 120 -4,-0.3 -2,-0.2 0, 0.0 -3,-0.1 0.504 360.0 360.0 -66.5 360.0 46.7 -20.1 4.3