==== 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 218L . 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) . 9057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.2 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 . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 49.7 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 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 2 0 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 85 0, 0.0 2,-0.3 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 131.1 23.6 42.3 34.7 2 2 A N > - 0 0 80 157,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.879 360.0 -85.9-148.9 179.4 20.1 41.4 36.0 3 3 A I H > S+ 0 0 44 -2,-0.3 4,-2.3 2,-0.2 5,-0.3 0.864 123.4 56.8 -65.6 -30.3 16.6 42.0 35.1 4 4 A F H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.987 111.7 42.6 -61.8 -50.0 16.5 45.3 37.0 5 5 A E H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 111.0 55.4 -57.8 -46.5 19.4 46.6 35.0 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 110.1 44.9 -56.0 -44.7 18.1 45.3 31.8 7 7 A L H X>S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-1.7 0.824 109.3 55.2 -77.2 -28.9 14.8 47.1 32.2 8 8 A R H <5S+ 0 0 75 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.927 111.8 45.8 -64.6 -41.2 16.4 50.4 33.3 9 9 A I H <5S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.937 124.5 33.2 -61.1 -49.3 18.4 50.2 30.0 10 10 A D H <5S+ 0 0 20 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.902 137.1 16.2 -74.6 -48.0 15.3 49.3 28.0 11 11 A E T <5S- 0 0 67 -4,-3.3 19,-0.2 -5,-0.1 -3,-0.2 0.583 99.8-133.4-103.9 -23.7 12.4 51.2 29.7 12 12 A G < - 0 0 12 -5,-1.7 2,-0.6 -4,-0.3 18,-0.2 0.100 14.7 -99.4 87.6 157.9 14.4 53.7 31.8 13 13 A L - 0 0 24 -5,-0.2 2,-0.5 16,-0.1 16,-0.2 -0.853 37.4-175.5-120.7 101.8 13.8 54.6 35.5 14 14 A R E -A 28 0A 136 14,-2.1 14,-2.3 -2,-0.6 4,-0.1 -0.811 15.6-162.6 -98.8 121.6 11.9 57.8 36.0 15 15 A L E S+ 0 0 63 -2,-0.5 43,-2.7 12,-0.2 2,-0.4 0.383 73.3 60.4 -84.7 7.2 11.4 59.1 39.6 16 16 A K E S-C 57 0B 150 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.968 100.6 -87.2-132.7 143.4 8.5 61.5 38.8 17 17 A I E + 0 0 33 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.249 54.6 176.9 -51.4 132.9 5.1 60.7 37.3 18 18 A Y E -A 26 0A 55 8,-2.8 8,-2.9 -4,-0.1 2,-0.3 -0.870 30.6-111.9-132.2 164.3 5.3 60.7 33.6 19 19 A K E -A 25 0A 130 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.749 35.3-139.1 -91.3 144.8 2.9 59.9 30.6 20 20 A D > - 0 0 46 4,-1.9 3,-1.7 -2,-0.3 -1,-0.1 -0.231 39.9 -72.8 -94.0-164.7 3.6 56.9 28.6 21 21 A T T 3 S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.616 137.0 41.9 -58.3 -14.0 3.5 56.1 24.9 22 22 A E T 3 S- 0 0 141 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.237 124.4 -99.7-119.7 7.0 -0.4 56.2 25.2 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.742 76.6 138.9 80.9 27.6 -0.6 59.2 27.4 24 24 A Y - 0 0 52 1,-0.0 -4,-1.9 9,-0.0 2,-0.3 -0.728 59.8 -99.4-101.4 151.2 -1.1 57.4 30.7 25 25 A Y E +AB 19 34A 25 9,-0.7 8,-3.4 11,-0.4 9,-1.0 -0.521 50.9 164.7 -73.8 132.4 0.5 58.1 34.1 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.8 6,-0.3 2,-0.3 -0.922 16.0-166.0-141.9 152.0 3.5 55.9 34.9 27 27 A I E > - B 0 31A 0 4,-2.6 4,-2.5 -2,-0.3 -12,-0.2 -0.978 52.3 -8.9-140.8 162.9 6.2 56.0 37.3 28 28 A G E 4 S+A 14 0A 0 -14,-2.3 -14,-2.1 -2,-0.3 2,-1.0 -0.300 125.8 1.7 62.0-124.5 9.6 54.3 37.8 29 29 A I T 4 S- 0 0 2 34,-0.3 -1,-0.2 -16,-0.2 -16,-0.1 -0.727 131.1 -54.9-100.8 77.8 10.3 51.4 35.4 30 30 A G T 4 S+ 0 0 28 -2,-1.0 2,-1.1 -18,-0.2 -2,-0.2 0.739 83.9 163.1 60.3 30.0 7.1 51.5 33.4 31 31 A H E < -B 27 0A 31 -4,-2.5 -4,-2.6 1,-0.0 2,-0.3 -0.694 30.1-146.0 -82.9 99.1 4.9 51.3 36.4 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.3 3,-0.1 -0.533 13.0-168.6 -65.1 128.0 1.4 52.4 35.1 33 33 A L E - 0 0 13 -8,-3.4 2,-0.3 1,-0.3 -7,-0.2 0.888 59.1 -29.9 -84.0 -52.4 -0.5 54.3 37.7 34 34 A T E -B 25 0A 28 -9,-1.0 -9,-0.7 2,-0.1 -1,-0.3 -0.977 39.0-127.2-162.4 160.8 -3.9 54.6 36.2 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.1 -2,-0.0 0.655 75.2 117.2 -88.8 -8.7 -5.8 54.7 33.0 36 36 A S - 0 0 35 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.250 69.2-137.1 -61.6 137.4 -7.6 57.9 34.2 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.766 79.0 99.8 -70.3 -19.8 -7.0 61.1 32.4 38 38 A S >> - 0 0 54 1,-0.1 4,-2.0 -13,-0.0 3,-0.6 -0.390 62.6-154.7 -75.7 118.4 -6.7 62.7 35.9 39 39 A L H 3> S+ 0 0 71 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.855 93.8 55.6 -55.8 -38.4 -3.4 63.6 37.5 40 40 A N H 3> S+ 0 0 109 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.830 104.4 53.9 -67.9 -31.1 -4.8 63.5 41.2 41 41 A A H <> S+ 0 0 27 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.969 106.9 52.8 -61.5 -53.7 -6.0 59.9 40.7 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.863 112.2 45.0 -52.1 -38.5 -2.5 59.2 39.6 43 43 A K H X S+ 0 0 42 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.862 110.1 51.5 -78.0 -36.8 -1.2 60.7 42.8 44 44 A S H X S+ 0 0 74 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.971 112.4 49.2 -57.3 -49.1 -3.7 59.0 45.1 45 45 A E H X S+ 0 0 74 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.831 111.5 49.5 -54.1 -43.5 -2.7 55.7 43.4 46 46 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 5,-0.3 0.874 111.3 46.8 -72.1 -37.9 0.9 56.5 43.9 47 47 A D H X>S+ 0 0 33 -4,-2.5 4,-3.3 1,-0.2 5,-1.3 0.927 109.7 52.2 -74.9 -39.2 0.6 57.3 47.5 48 48 A K H <5S+ 0 0 169 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.856 115.0 44.3 -54.3 -43.1 -1.5 54.3 48.3 49 49 A A H <5S+ 0 0 39 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.906 119.2 40.3 -71.4 -40.5 1.2 52.2 46.7 50 50 A I H <5S- 0 0 20 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.750 100.3-132.2 -81.5 -26.3 4.1 53.9 48.2 51 51 A G T <5S+ 0 0 66 -4,-3.3 2,-0.3 1,-0.3 -3,-0.2 0.908 75.3 69.9 77.2 37.3 2.6 54.3 51.7 52 52 A R S - 0 0 7 -2,-1.1 3,-1.6 -11,-0.2 -1,-0.2 0.598 35.8-145.6 -93.3 -25.6 5.1 61.4 47.8 55 55 A N T 3 S- 0 0 111 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.887 73.9 -50.2 59.3 37.8 3.6 64.2 45.7 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.369 120.0 101.7 80.8 3.4 4.5 62.6 42.4 57 57 A V B < +C 16 0B 72 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.965 45.7 179.4-123.5 127.2 8.1 62.0 43.3 58 58 A I - 0 0 4 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.844 25.5-109.7-124.8 163.3 9.7 58.6 44.5 59 59 A T > - 0 0 56 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.405 29.0-112.6 -87.4 168.6 13.1 57.4 45.5 60 60 A K H > S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.878 121.6 54.0 -64.9 -34.0 15.3 55.1 43.6 61 61 A D H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 108.8 46.5 -63.8 -46.7 14.6 52.6 46.5 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.861 109.3 55.6 -64.9 -38.5 10.8 52.9 46.2 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -34,-0.3 0.913 107.9 49.3 -61.7 -33.8 11.0 52.5 42.3 64 64 A E H X S+ 0 0 70 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.887 108.8 51.1 -77.9 -32.2 12.8 49.2 42.7 65 65 A K H X S+ 0 0 116 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.943 111.6 48.3 -69.0 -40.1 10.4 47.9 45.2 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.885 110.6 52.5 -60.4 -46.7 7.6 48.7 42.8 67 67 A F H X S+ 0 0 3 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.873 106.0 52.7 -61.6 -41.3 9.5 47.1 40.1 68 68 A N H X S+ 0 0 76 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.893 108.2 50.3 -60.3 -45.5 10.0 43.9 42.0 69 69 A Q H X S+ 0 0 83 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.878 110.8 49.7 -58.4 -44.1 6.4 43.5 42.7 70 70 A D H X S+ 0 0 38 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.792 108.9 51.9 -64.7 -33.1 5.6 44.0 39.1 71 71 A V H X S+ 0 0 18 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.948 110.8 47.0 -67.6 -47.8 8.1 41.5 38.1 72 72 A D H X S+ 0 0 97 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.834 111.3 54.7 -58.6 -35.4 6.5 38.9 40.6 73 73 A A H X S+ 0 0 41 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.896 107.9 47.2 -65.4 -41.9 3.1 39.9 39.2 74 74 A A H X S+ 0 0 15 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.914 109.9 53.6 -66.5 -38.7 4.3 39.1 35.6 75 75 A V H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 3,-0.4 0.986 109.1 48.8 -58.9 -57.3 5.7 35.8 36.7 76 76 A R H < S+ 0 0 150 -4,-2.3 4,-0.4 1,-0.3 -2,-0.2 0.883 114.4 45.3 -46.3 -55.9 2.4 34.8 38.3 77 77 A G H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 -1,-0.3 0.897 109.0 55.4 -60.5 -37.5 0.6 35.8 35.3 78 78 A I H >< S+ 0 0 0 -4,-3.0 3,-1.8 -3,-0.4 7,-0.4 0.964 107.4 52.2 -57.3 -41.7 3.1 34.0 33.0 79 79 A L T 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.412 104.1 55.5 -72.2 -8.5 2.5 30.8 34.9 80 80 A R T < S+ 0 0 186 -3,-1.3 2,-0.6 -4,-0.4 -1,-0.3 0.255 87.1 100.2-105.2 -1.9 -1.2 31.0 34.5 81 81 A N <> - 0 0 26 -3,-1.8 4,-4.0 -4,-0.2 -4,-0.0 -0.911 64.7-150.8-104.2 112.0 -0.8 31.1 30.7 82 82 A A T 4 S+ 0 0 93 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.829 98.4 34.7 -38.3 -60.4 -1.4 27.9 28.9 83 83 A K T > S+ 0 0 115 2,-0.1 4,-0.8 1,-0.1 -1,-0.2 0.822 125.0 40.6 -61.2 -51.0 1.0 28.8 26.1 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.8 -6,-0.2 5,-0.2 0.833 97.7 71.6 -75.7 -46.8 3.6 30.7 28.1 85 85 A K H X S+ 0 0 87 -4,-4.0 4,-2.5 -7,-0.4 -1,-0.2 0.880 100.3 45.9 -40.0 -54.0 3.9 28.7 31.2 86 86 A P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.944 111.7 49.8 -55.4 -60.8 5.7 25.9 29.5 87 87 A V H X S+ 0 0 12 -4,-0.8 4,-2.1 1,-0.3 -2,-0.2 0.906 114.3 48.1 -42.9 -49.0 8.2 28.0 27.6 88 88 A Y H < S+ 0 0 25 -4,-2.8 -1,-0.3 1,-0.2 -3,-0.2 0.936 104.8 57.6 -59.7 -48.4 8.8 29.7 30.7 89 89 A D H < S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.828 112.3 44.3 -46.3 -45.2 9.2 26.4 32.6 90 90 A S H < S+ 0 0 86 -4,-2.2 -2,-0.2 -3,-0.1 -1,-0.2 0.994 92.5 93.6 -62.4 -70.4 11.9 25.6 30.2 91 91 A L < - 0 0 20 -4,-2.1 2,-0.1 1,-0.1 63,-0.0 0.394 69.7-123.9 -27.9 147.7 14.0 28.9 30.0 92 92 A D > - 0 0 59 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.459 41.4 -86.9 -88.6 176.3 17.1 29.6 32.1 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.882 126.9 49.0 -52.1 -46.4 17.3 32.7 34.2 94 94 A V H > S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.923 113.3 44.6 -64.1 -41.0 18.7 34.8 31.5 95 95 A R H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.823 107.9 58.2 -74.9 -26.3 16.1 33.9 28.9 96 96 A R H X S+ 0 0 63 -4,-2.6 4,-2.5 2,-0.2 3,-0.5 0.939 101.8 56.0 -60.5 -45.8 13.3 34.2 31.3 97 97 A A H X S+ 0 0 6 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.843 105.0 54.2 -52.7 -41.6 14.4 37.9 31.8 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.832 111.1 44.3 -66.8 -33.7 14.1 38.4 28.0 99 99 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.5 -1,-0.2 0.886 110.9 51.3 -79.6 -40.7 10.5 37.1 28.1 100 100 A I H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.886 106.7 57.8 -62.8 -35.8 9.5 39.0 31.1 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.911 107.6 46.1 -61.0 -39.9 10.9 42.0 29.3 102 102 A M H X S+ 0 0 2 -4,-1.2 4,-1.7 1,-0.2 5,-0.4 0.831 110.3 53.0 -71.7 -37.7 8.5 41.4 26.4 103 103 A V H X S+ 0 0 17 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.905 109.0 49.8 -64.0 -41.9 5.7 40.9 28.7 104 104 A F H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.2 43.3 -56.5 -48.9 6.4 44.2 30.3 105 105 A Q H < S+ 0 0 43 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.702 138.7 4.3 -77.4 -18.7 6.6 45.9 27.0 106 106 A M H X S- 0 0 53 -4,-1.7 4,-1.0 -5,-0.1 -3,-0.2 0.377 99.1-113.5-144.5 -11.3 3.5 44.3 25.5 107 107 A G H X - 0 0 27 -4,-3.4 4,-2.8 -5,-0.4 3,-0.4 0.251 39.4 -68.6 82.4 151.2 1.7 42.0 27.9 108 108 A E H > S+ 0 0 57 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.661 134.4 48.1 -41.9 -35.8 0.9 38.3 28.3 109 109 A T H 4 S+ 0 0 123 2,-0.2 4,-0.5 -3,-0.2 3,-0.4 0.898 107.7 49.4 -82.8 -45.5 -1.3 38.6 25.3 110 110 A G H >< S+ 0 0 30 -4,-1.0 3,-1.1 -3,-0.4 -2,-0.2 0.969 117.5 44.2 -56.3 -52.0 1.1 40.5 23.0 111 111 A V H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.3 0.597 99.5 69.7 -65.3 -22.7 3.7 37.9 23.8 112 112 A A T 3< S+ 0 0 15 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.521 94.0 60.0 -72.5 -11.2 1.4 34.7 23.5 113 113 A G T < S+ 0 0 64 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.308 100.9 53.2-100.4 6.4 1.2 35.3 19.8 114 114 A F S X> S+ 0 0 41 -3,-0.9 4,-2.7 2,-0.1 3,-0.7 0.479 74.5 120.3-111.2 -15.0 4.9 34.9 19.4 115 115 A T T 34 S+ 0 0 12 -4,-0.3 2,-0.4 1,-0.2 -31,-0.1 -0.470 78.0 35.4 -53.1 118.4 5.0 31.6 21.2 116 116 A N T 3> S+ 0 0 74 -2,-0.1 4,-3.3 0, 0.0 -1,-0.2 -0.764 113.6 54.4 131.8 -75.6 6.4 29.5 18.5 117 117 A S H <> S+ 0 0 8 -3,-0.7 4,-1.0 -2,-0.4 -2,-0.2 0.885 114.4 46.5 -54.1 -35.3 8.7 32.0 17.1 118 118 A L H >< S+ 0 0 6 -4,-2.7 3,-0.7 2,-0.2 4,-0.4 0.917 109.8 52.6 -70.2 -47.8 9.9 32.1 20.7 119 119 A R H >4 S+ 0 0 109 -5,-0.3 3,-0.6 1,-0.3 -2,-0.2 0.891 112.2 45.9 -56.4 -39.7 10.0 28.5 20.9 120 120 A M H >< S+ 0 0 32 -4,-3.3 3,-1.7 1,-0.2 6,-0.3 0.632 85.8 82.6 -81.5 -19.7 12.1 28.3 17.8 121 121 A L T << S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 0.749 102.0 46.7 -52.5 -25.2 14.7 31.0 18.5 122 122 A Q T < S+ 0 0 74 -3,-0.6 2,-0.7 -4,-0.4 -1,-0.3 0.425 94.6 86.1 -90.6 -18.4 16.2 28.2 20.4 123 123 A Q X> - 0 0 72 -3,-1.7 4,-3.0 1,-0.1 3,-1.4 -0.868 65.4-150.7 -98.5 120.2 15.9 25.4 17.7 124 124 A K T 34 S+ 0 0 195 -2,-0.7 4,-0.3 1,-0.3 -1,-0.1 0.668 97.7 62.7 -58.0 -22.5 18.8 25.3 15.3 125 125 A R T 34 S+ 0 0 175 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.832 123.8 10.8 -65.9 -45.4 16.3 24.0 12.8 126 126 A W T <> S+ 0 0 106 -3,-1.4 4,-2.9 -6,-0.3 -2,-0.2 0.375 91.6 108.9-117.9 -9.7 14.2 27.1 12.8 127 127 A D H X S+ 0 0 30 -4,-3.0 4,-1.7 1,-0.2 5,-0.1 0.845 81.3 48.5 -46.3 -45.2 16.1 29.7 14.6 128 128 A E H > S+ 0 0 153 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.939 114.9 45.4 -64.1 -42.3 16.9 31.9 11.5 129 129 A A H > S+ 0 0 41 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.931 108.5 57.2 -60.5 -49.5 13.2 31.8 10.2 130 130 A A H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.933 108.8 46.6 -44.7 -50.5 12.0 32.6 13.8 131 131 A V H X S+ 0 0 41 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.900 112.0 50.5 -60.2 -48.2 14.2 35.8 13.8 132 131AA A H X S+ 0 0 48 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.921 109.4 49.9 -57.0 -49.9 13.1 36.8 10.4 133 132 A N H >< S+ 0 0 94 -4,-3.3 3,-1.3 -5,-0.2 -1,-0.2 0.947 110.3 51.4 -58.1 -42.1 9.6 36.4 11.4 134 133 A L H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.3 6,-0.4 0.937 102.0 59.0 -65.0 -38.5 10.2 38.5 14.5 135 134 A A H 3< S+ 0 0 33 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.726 96.9 62.5 -60.4 -17.3 11.8 41.3 12.6 136 135 A K T << S+ 0 0 186 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.407 86.2 109.7 -89.8 1.5 8.4 41.7 10.5 137 136 A S S <> S- 0 0 14 -3,-1.8 4,-1.9 -4,-0.2 -3,-0.0 -0.440 76.9-133.3 -75.9 157.2 6.8 42.6 13.7 138 137 A R H > S+ 0 0 174 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.960 107.8 64.9 -70.2 -44.1 5.5 46.0 14.6 139 138 A W H > S+ 0 0 16 1,-0.3 4,-2.2 2,-0.2 8,-0.3 0.858 104.5 41.2 -42.7 -50.2 7.2 45.4 17.8 140 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.949 113.8 56.3 -68.8 -37.6 10.5 45.3 16.3 141 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.858 111.0 40.0 -59.5 -46.9 9.5 48.3 14.1 142 141 A Q H < S+ 0 0 124 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 133.9 21.9 -66.8 -46.7 8.5 50.6 16.8 143 142 A T S X S+ 0 0 38 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 -0.716 70.5 166.1-132.0 78.3 11.4 49.6 19.1 144 143 A P H > S+ 0 0 46 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.932 74.4 40.9 -57.0 -56.5 14.1 48.1 17.0 145 144 A N H > S+ 0 0 102 2,-0.2 4,-3.4 3,-0.2 5,-0.2 0.890 114.7 50.4 -58.3 -53.8 17.1 48.1 19.4 146 145 A R H >> S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 3,-0.8 0.987 116.4 44.4 -50.2 -57.8 15.1 47.0 22.5 147 146 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.3 5,-0.3 0.853 113.8 50.4 -50.1 -50.6 13.7 44.1 20.2 148 147 A K H 3X S+ 0 0 128 -4,-3.2 4,-1.8 1,-0.2 -1,-0.3 0.905 112.9 44.6 -58.0 -43.2 17.1 43.4 18.9 149 148 A R H > S+ 0 0 43 -2,-0.2 3,-2.3 1,-0.2 4,-0.8 0.167 72.1 113.8-101.6 8.9 23.7 39.4 28.7 160 159 A D T 34 + 0 0 108 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.723 69.5 59.2 -54.3 -30.4 26.2 40.4 26.1 161 160 A A T 34 S+ 0 0 39 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.580 102.9 56.5 -75.1 -14.0 23.8 42.6 24.2 162 161 A Y T <4 0 0 18 -3,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.671 360.0 360.0 -87.8 -22.0 23.3 44.5 27.5 163 162 A K < 0 0 177 -4,-0.8 -2,-0.2 -3,-0.2 -3,-0.1 0.778 360.0 360.0 -86.6 360.0 27.1 45.5 27.9