==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 20-JUN-94 156L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 0.000 360.0 360.0 360.0 151.6 43.4 -1.9 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.937 360.0 -79.1-154.4 178.3 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.827 123.9 50.8 -52.9 -40.6 38.0 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 113.7 42.1 -64.7 -50.0 40.2 3.6 14.2 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.854 113.1 55.0 -66.1 -37.2 43.4 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.960 112.0 41.2 -64.0 -49.5 41.9 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.858 109.4 60.6 -66.7 -30.7 40.6 7.9 10.9 8 8 A R H X S+ 0 0 98 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.919 108.0 45.4 -61.8 -36.3 43.8 8.2 12.9 9 9 A I H < S+ 0 0 85 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.939 117.0 44.3 -71.3 -44.9 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.809 125.7 29.5 -69.3 -34.9 43.0 11.0 8.2 11 11 A E H < S- 0 0 46 -4,-3.2 19,-0.3 -5,-0.2 -3,-0.2 0.725 90.0-155.1 -99.4 -26.6 42.7 13.2 11.2 12 12 A G < - 0 0 22 -4,-2.0 2,-0.3 -5,-0.4 -1,-0.2 -0.248 26.4 -87.0 77.5-168.4 46.1 13.0 12.9 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 42.0 173.3-144.0 127.3 46.5 13.6 16.6 14 14 A R E -A 28 0A 144 14,-1.5 14,-2.3 -2,-0.3 4,-0.1 -0.998 19.5-160.7-137.5 134.2 47.1 17.0 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.415 74.6 61.3 -95.4 -4.1 47.2 17.7 22.0 16 16 A K E S-C 57 0B 137 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.915 100.3 -86.7-120.1 152.1 46.6 21.4 21.9 17 17 A I E + 0 0 31 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.259 57.8 170.1 -51.2 137.4 43.6 23.2 20.5 18 18 A Y E -A 26 0A 27 8,-3.0 8,-3.3 -4,-0.1 2,-0.4 -0.923 35.8-102.6-146.0 167.3 44.1 23.8 16.8 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.796 34.5-136.6 -95.7 136.1 42.1 25.0 13.9 20 20 A D > - 0 0 48 4,-3.0 3,-2.0 -2,-0.4 -1,-0.1 -0.069 40.3 -81.7 -77.5-171.9 40.7 22.5 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.687 135.1 49.7 -65.7 -17.0 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.350 124.3-104.4 -98.4 0.1 37.6 24.9 7.9 23 23 A G S < S+ 0 0 38 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.591 74.8 139.5 87.0 17.2 39.2 27.1 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.792 60.3-101.9-100.4 145.5 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 32 9,-0.6 8,-2.9 11,-0.4 9,-1.3 -0.363 53.8 160.0 -63.6 125.5 38.7 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-3.0 6,-0.2 2,-0.3 -0.899 18.8-168.6-140.3 165.0 39.4 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.0 -2,-0.3 2,-0.2 -0.988 50.8 4.8-151.0 164.7 41.5 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.5 -2,-0.3 2,-0.9 -0.473 121.9 -7.6 71.1-130.8 42.7 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.692 128.4 -51.5-105.2 73.5 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-0.9 -19,-0.3 -2,-0.2 0.716 84.0 161.0 70.7 25.2 39.6 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.8 1,-0.0 -1,-0.2 -0.649 33.0-142.6 -80.8 103.2 37.3 16.2 17.8 32 32 A L E -B 26 0A 70 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.447 19.5-176.8 -65.8 132.4 35.4 19.5 16.8 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.892 57.5 -30.4 -94.5 -48.5 35.0 21.7 19.7 34 34 A T E -B 25 0A 31 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.957 33.5-136.2-167.3 155.2 33.0 24.6 18.3 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.417 74.0 114.0 -95.6 -3.8 32.4 26.6 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.406 72.4-131.6 -71.0 142.1 32.5 29.8 17.2 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.515 76.7 103.1 -72.8 -5.5 35.4 32.1 16.5 38 38 A S > - 0 0 46 1,-0.1 4,-2.1 -13,-0.0 5,-0.1 -0.752 57.1-159.2 -95.2 123.8 36.2 32.4 20.1 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.763 96.6 52.6 -64.4 -29.2 39.1 30.6 21.7 40 40 A N H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.895 104.3 54.0 -74.3 -42.7 37.6 30.9 25.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.935 111.6 47.7 -55.7 -42.7 34.4 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.910 109.9 51.0 -64.8 -41.0 36.6 26.5 22.7 43 43 A K H X S+ 0 0 56 -4,-2.3 4,-2.2 1,-0.2 11,-0.2 0.874 110.8 51.0 -65.2 -33.3 38.5 26.2 25.9 44 44 A S H X S+ 0 0 72 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.918 109.3 46.7 -71.5 -41.1 35.3 26.1 27.7 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.872 111.6 55.7 -66.7 -35.2 33.8 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 5,-0.3 0.946 107.1 46.1 -62.9 -46.6 37.1 21.5 26.0 47 47 A D H X>S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 5,-1.4 0.890 111.9 52.7 -61.9 -36.3 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.5 48.6 -63.9 -39.6 33.3 20.5 29.7 49 49 A A H <5S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 120.3 34.5 -70.0 -37.9 34.2 17.6 27.4 50 50 A I H <5S- 0 0 37 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.719 103.3-125.6 -90.7 -28.1 37.2 16.3 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.793 75.9 70.0 85.4 34.2 35.7 17.2 32.9 52 52 A R S - 0 0 9 -2,-1.1 3,-0.9 -11,-0.2 -1,-0.2 0.776 34.6-145.2 -89.1 -30.1 42.6 21.8 30.9 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.893 73.7 -57.7 65.4 33.5 43.8 25.2 29.8 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.589 117.3 97.9 74.3 10.2 43.6 23.9 26.2 57 57 A V B < +C 16 0B 61 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.984 45.6 178.5-131.5 142.5 45.9 21.0 26.4 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.862 26.0-110.3-134.4 170.3 45.0 17.3 26.9 59 59 A T > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.517 33.3-103.2 -95.3 173.2 46.8 14.1 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 120.8 51.2 -59.9 -48.3 47.0 11.2 24.7 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 110.2 49.6 -60.3 -39.2 44.6 9.0 26.8 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 111.4 49.7 -66.4 -39.6 42.1 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -34,-0.4 0.944 111.6 49.0 -60.6 -47.4 42.4 12.3 23.2 64 64 A E H X S+ 0 0 69 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.840 108.7 53.5 -62.9 -34.4 41.9 8.6 22.7 65 65 A K H X S+ 0 0 133 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.943 108.0 47.8 -67.6 -45.4 38.9 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.897 111.3 54.7 -57.0 -40.9 37.2 11.5 23.0 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.935 104.9 50.7 -59.2 -49.9 38.0 9.5 19.9 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.903 113.2 46.5 -53.6 -43.6 36.3 6.3 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.891 111.4 52.2 -66.1 -41.6 33.2 8.3 22.0 70 70 A D H X S+ 0 0 37 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.883 111.4 45.4 -63.0 -40.9 33.3 10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.948 112.5 50.7 -69.7 -45.5 33.5 6.8 16.7 72 72 A D H X S+ 0 0 87 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.936 111.0 49.4 -55.9 -45.2 30.8 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.894 107.9 53.0 -63.3 -37.7 28.5 8.1 18.1 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.947 112.8 44.8 -62.5 -47.1 29.1 8.1 14.4 75 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.972 115.5 46.4 -60.5 -51.6 28.1 4.5 14.2 76 76 A R H X S+ 0 0 119 -4,-3.1 4,-1.4 1,-0.3 -1,-0.2 0.900 111.1 52.7 -61.4 -36.2 25.1 4.9 16.4 77 77 A G H X S+ 0 0 1 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.3 0.884 107.7 50.7 -66.5 -37.4 24.1 7.9 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 -3,-0.3 7,-0.4 0.935 109.0 52.8 -62.4 -43.8 24.3 6.0 11.2 79 79 A L H 3< S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.744 110.6 47.1 -66.5 -22.9 22.1 3.3 12.7 80 80 A R H 3< S+ 0 0 182 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.425 92.4 96.3 -94.3 -7.9 19.5 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.839 99.1 70.0 -90.3 -37.8 21.9 6.1 6.2 85 85 A K H X S+ 0 0 83 -4,-2.8 4,-3.1 -7,-0.4 5,-0.2 0.897 97.8 50.1 -51.6 -46.7 21.1 2.8 7.8 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.885 111.6 49.7 -64.7 -32.2 20.0 1.0 4.7 87 87 A V H > S+ 0 0 1 -3,-0.4 4,-0.8 -4,-0.4 3,-0.3 0.958 112.0 46.1 -67.4 -51.3 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.914 111.5 53.8 -55.2 -42.5 25.3 0.9 5.8 89 89 A D H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.836 105.4 53.8 -64.8 -31.7 23.4 -2.3 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.649 96.5 89.4 -76.1 -17.7 23.9 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-0.9 2,-0.1 -4,-0.8 31,-0.0 -0.477 74.4-118.4 -86.8 157.6 27.7 -2.7 2.5 92 92 A D > - 0 0 52 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.299 44.6 -93.1 -78.0 170.1 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.858 121.4 49.7 -60.2 -38.2 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.933 113.1 44.9 -66.9 -46.8 35.5 -2.3 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 105.0 62.0 -69.7 -30.2 33.1 0.1 2.7 96 96 A R H X S+ 0 0 79 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 101.1 55.4 -57.4 -40.5 31.1 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.889 104.5 52.8 -60.4 -37.9 34.3 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.880 108.8 49.8 -65.5 -37.0 34.4 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.898 109.9 50.5 -68.1 -40.5 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.934 107.5 53.9 -61.8 -43.5 31.7 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.944 107.9 50.2 -56.7 -48.1 34.7 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.914 111.3 47.0 -59.9 -42.7 32.6 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.906 109.6 55.8 -66.9 -34.3 30.0 10.8 8.9 104 104 A F H < S+ 0 0 32 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.927 115.9 37.1 -60.7 -42.6 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 60 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.907 133.1 19.8 -75.2 -47.9 34.0 14.3 9.1 106 106 A M H X S- 0 0 52 -4,-2.7 4,-0.8 -5,-0.2 -3,-0.2 0.472 100.8-118.7-108.4 -4.9 30.8 15.9 7.9 107 107 A G H X - 0 0 31 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.097 36.5 -76.6 78.1 156.4 28.2 14.8 10.2 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.795 129.9 51.0 -61.2 -36.3 25.2 12.9 9.4 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.912 107.9 53.9 -70.3 -43.9 23.3 15.6 7.8 110 110 A G H >< S+ 0 0 31 -4,-0.8 3,-0.6 1,-0.2 -2,-0.2 0.923 114.3 41.0 -54.5 -49.8 26.2 16.4 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.5 1,-0.2 -1,-0.2 0.851 103.8 64.2 -69.0 -37.1 26.4 12.9 4.3 112 112 A A H 3< S+ 0 0 20 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.817 93.5 69.1 -58.0 -22.8 22.7 12.5 4.1 113 113 A G T << S+ 0 0 63 -4,-1.1 3,-0.3 -3,-0.6 2,-0.3 0.594 79.1 75.7 -68.6 -14.5 23.2 15.2 1.4 114 114 A F <> + 0 0 33 -3,-2.5 4,-3.0 1,-0.2 5,-0.3 -0.189 59.2 147.8 -91.6 41.7 25.0 12.7 -1.0 115 115 A A H > + 0 0 41 -2,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.853 66.7 47.4 -46.8 -46.7 21.7 11.3 -1.8 116 116 A N H > S+ 0 0 112 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.905 113.1 46.7 -65.5 -42.9 22.6 10.4 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.868 109.5 56.5 -65.9 -39.1 25.9 8.8 -4.4 118 118 A L H X S+ 0 0 8 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.903 105.4 50.6 -58.3 -43.2 24.2 6.8 -1.6 119 119 A A H X S+ 0 0 42 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.927 111.3 48.7 -62.9 -40.5 21.8 5.3 -4.0 120 120 A M H <>S+ 0 0 44 -4,-1.6 5,-2.1 2,-0.2 4,-0.3 0.900 110.0 50.6 -66.0 -40.7 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.932 109.2 52.6 -63.9 -40.0 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.885 108.8 48.8 -64.6 -33.3 23.4 0.9 -2.4 123 123 A Q T 3<5S- 0 0 111 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.435 113.3-120.7 -83.7 1.8 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.7 2,-1.4 -4,-0.3 -3,-0.2 0.748 62.1 146.2 66.1 31.0 26.7 -1.5 -5.8 125 125 A R >< + 0 0 124 -5,-2.1 4,-2.0 1,-0.2 -1,-0.2 -0.707 22.3 176.7 -96.0 80.4 27.6 0.6 -8.9 126 126 A W H > + 0 0 50 -2,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.876 69.8 45.4 -57.8 -47.9 31.2 1.3 -7.5 127 127 A D H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 114.2 48.7 -67.6 -41.5 32.6 3.3 -10.4 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.6 50.9 -65.5 -37.8 29.6 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.894 107.8 53.7 -64.6 -39.0 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 12 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.900 108.9 48.6 -62.8 -40.7 33.1 7.2 -7.2 131 131 A V H X S+ 0 0 95 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.951 113.6 46.0 -65.7 -45.7 32.6 9.6 -10.0 132 132 A N H >< S+ 0 0 43 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.886 107.5 57.2 -65.6 -38.4 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.841 100.2 60.6 -60.5 -29.8 31.2 11.4 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.8 -3,-0.5 -1,-0.3 0.709 85.8 77.8 -72.5 -19.7 33.9 13.5 -6.6 135 135 A K S << S+ 0 0 166 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.541 80.5 98.7 -87.3 69.3 31.5 16.2 -7.7 136 136 A S S > S- 0 0 17 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.995 85.0-117.7-153.2 155.6 31.3 17.8 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.911 115.0 65.3 -57.1 -42.6 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.926 105.1 41.2 -44.0 -53.2 34.0 17.8 -0.0 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 114.0 51.2 -69.3 -37.8 36.3 16.6 -2.8 140 140 A N H < S+ 0 0 112 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.1 41.7 -70.8 -31.3 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.868 131.3 19.6 -83.0 -41.7 38.3 21.1 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 -0.622 74.0 161.5-130.5 72.7 40.0 18.0 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.845 69.4 52.2 -62.3 -41.7 41.0 16.2 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.931 116.0 40.5 -65.8 -41.4 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 114.3 53.4 -67.8 -48.5 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.922 107.3 51.8 -53.2 -45.4 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.876 107.2 53.8 -61.2 -36.3 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.7 4,-1.5 2,-0.2 12,-0.2 0.927 112.5 41.8 -64.3 -42.6 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.913 114.1 52.7 -69.8 -41.4 37.7 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.8 -5,-0.2 -2,-0.2 0.907 107.9 50.4 -60.1 -43.8 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.9 1,-0.2 6,-0.4 0.882 108.0 54.7 -62.1 -36.7 39.1 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.880 111.1 43.2 -63.2 -43.1 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.883 116.2 50.3 -69.7 -37.0 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.917 125.3 22.7 -62.9 -48.3 35.4 1.9 -5.3 155 155 A T H < S- 0 0 48 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.697 86.1-134.4 -95.3 -28.5 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.3 -5,-0.3 -62,-0.2 0.685 74.2 100.3 75.6 17.9 36.4 -2.5 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.820 80.6-120.3-127.2 175.0 40.0 -2.7 0.0 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.0 1,-0.2 4,-0.7 0.102 70.1 123.4 -98.8 18.0 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 96 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.789 66.2 58.3 -52.9 -33.3 44.8 -0.0 -0.5 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.674 108.2 48.8 -72.2 -17.1 44.6 3.8 -0.3 161 161 A Y G <4 0 0 19 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.556 360.0 360.0-100.4 -5.6 45.6 3.6 3.3 162 162 A K << 0 0 175 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.852 360.0 360.0 -94.2 360.0 48.6 1.2 2.8