==== 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) 19-MAR-96 206L . COMPND 2 MOLECULE: 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) . 8630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.2 43.6 -1.8 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.898 360.0 -82.0-150.4 178.6 40.4 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.831 124.6 50.8 -56.7 -37.5 38.2 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 113.7 42.7 -67.7 -47.8 40.4 3.7 14.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.855 113.9 54.2 -64.7 -37.7 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.956 112.5 41.2 -62.9 -53.2 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.841 108.8 60.0 -67.7 -29.3 40.7 7.8 10.9 8 8 A R H X S+ 0 0 100 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.900 107.5 46.5 -65.8 -33.4 43.9 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.939 115.7 46.4 -69.4 -45.8 45.8 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.856 124.3 28.8 -64.5 -40.3 43.1 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.656 91.7-152.4 -96.8 -22.5 42.9 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.2 -0.196 25.9 -85.6 73.7-172.9 46.3 13.1 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 43.5 170.9-138.2 121.2 46.8 13.7 16.5 14 14 A R E -A 28 0A 133 14,-2.0 14,-2.5 -2,-0.4 4,-0.1 -0.999 17.8-165.0-132.6 129.4 47.3 17.1 18.2 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.400 73.7 65.8 -95.2 1.4 47.3 17.6 22.0 16 16 A K E S-C 57 0B 99 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.939 100.9 -88.3-124.0 143.1 46.9 21.3 21.9 17 17 A I E + 0 0 13 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.215 58.7 168.0 -47.6 134.7 43.9 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-3.0 8,-3.0 -4,-0.1 2,-0.5 -0.891 37.0-102.6-143.9 173.3 44.3 23.9 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.877 34.4-140.8-103.9 133.4 42.3 25.1 13.8 20 20 A D > - 0 0 50 4,-3.1 3,-1.2 -2,-0.5 -1,-0.1 0.025 41.6 -76.3 -75.9-167.4 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.718 133.8 47.4 -63.3 -23.2 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.437 124.6 -99.8 -97.1 -5.5 37.7 25.0 7.9 23 23 A G S < S+ 0 0 40 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.603 76.6 141.3 94.4 18.3 39.2 27.3 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.783 59.1-102.5-102.8 144.1 37.5 25.7 13.5 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-2.8 11,-0.4 9,-1.3 -0.363 53.8 159.1 -62.0 123.8 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.0 6,-0.3 2,-0.3 -0.867 19.2-168.6-140.3 166.6 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.1 -2,-0.3 2,-0.2 -0.981 51.7 0.5-155.6 160.9 41.8 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.8 -0.437 123.1 -4.7 67.4-128.1 43.1 15.5 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.698 128.2 -53.3-103.6 70.2 42.1 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.746 83.1 161.4 69.6 28.0 39.7 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.5 1,-0.0 -1,-0.2 -0.696 31.8-144.3 -85.9 103.6 37.5 16.4 17.8 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.443 19.1-177.4 -66.4 128.6 35.7 19.5 16.8 33 33 A L E - 0 0 16 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.903 59.0 -24.6 -92.1 -51.8 35.2 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.987 36.0-139.2-159.1 154.8 33.2 24.7 18.4 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.434 74.3 111.2 -96.1 -2.2 32.4 26.5 15.2 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.470 74.4-130.4 -78.0 142.2 32.6 29.7 17.0 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.367 76.1 105.5 -71.2 6.8 35.5 32.1 16.4 38 38 A S > - 0 0 48 1,-0.2 4,-1.8 2,-0.0 3,-0.2 -0.803 54.7-161.0 -98.5 118.6 36.2 32.5 20.1 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.900 95.3 52.1 -59.1 -38.2 39.3 30.7 21.5 40 40 A N H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 104.0 54.8 -66.6 -35.5 37.8 31.0 25.0 41 41 A A H > S+ 0 0 32 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 109.8 48.7 -65.6 -33.6 34.6 29.5 24.0 42 42 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.887 108.0 52.8 -73.8 -34.3 36.6 26.6 22.7 43 43 A K H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 11,-0.3 0.891 109.8 50.2 -66.9 -34.8 38.6 26.3 25.9 44 44 A S H X S+ 0 0 71 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 109.6 49.1 -69.5 -40.6 35.4 26.2 27.8 45 45 A E H X S+ 0 0 62 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.891 110.6 53.3 -62.7 -39.5 34.0 23.5 25.6 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.931 108.1 47.5 -62.5 -45.5 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 5,-1.1 0.886 112.4 50.7 -62.7 -37.9 37.1 21.7 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.875 112.0 47.3 -65.4 -41.1 33.5 20.6 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 120.3 37.3 -70.6 -35.4 34.4 17.6 27.4 50 50 A I H <5S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.802 101.9-125.7 -86.6 -34.9 37.4 16.5 29.5 51 51 A G T <5S+ 0 0 70 -4,-2.5 2,-0.3 1,-0.4 -3,-0.2 0.736 77.7 74.7 91.9 22.9 36.0 17.1 33.0 52 52 A R S - 0 0 7 -2,-1.1 3,-0.7 -11,-0.3 -1,-0.2 0.805 31.1-144.4 -86.0 -31.8 42.7 21.8 30.8 55 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.793 72.1 -58.5 70.4 26.9 44.1 25.2 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.572 117.9 97.5 79.2 12.3 43.9 24.1 26.1 57 57 A V B < +C 16 0B 67 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.994 46.2 179.5-132.1 137.9 46.1 21.0 26.4 58 58 A I - 0 0 4 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.845 26.0-110.8-131.8 167.8 45.2 17.4 26.9 59 59 A T > - 0 0 68 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.523 32.9-104.3 -94.4 172.6 47.0 14.2 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 120.7 50.1 -58.8 -46.9 47.2 11.3 24.7 61 61 A D H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 110.3 50.9 -60.6 -39.2 44.8 9.1 26.8 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 109.5 50.1 -65.5 -39.6 42.4 11.9 26.9 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -34,-0.4 0.909 111.8 49.2 -63.8 -40.7 42.6 12.4 23.2 64 64 A E H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.804 106.5 55.3 -69.0 -30.3 42.0 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.926 107.7 48.1 -71.0 -40.5 39.1 8.8 25.0 66 66 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.891 110.8 54.5 -62.6 -38.0 37.4 11.6 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.926 105.7 49.4 -63.1 -48.1 38.1 9.5 19.8 68 68 A N H X S+ 0 0 93 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.914 113.3 48.2 -58.2 -41.6 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.917 112.1 49.6 -65.1 -42.0 33.4 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.877 111.6 46.4 -67.1 -39.5 33.4 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.953 113.5 49.5 -66.6 -46.3 33.6 6.9 16.6 72 72 A D H X S+ 0 0 86 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.934 111.0 51.3 -56.7 -43.3 30.9 5.3 18.7 73 73 A A H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.917 108.0 51.2 -60.0 -45.6 28.8 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.911 111.4 47.8 -59.9 -44.4 29.2 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 113.4 46.4 -64.0 -47.3 28.2 4.6 14.2 76 76 A R H X S+ 0 0 118 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.873 110.3 55.1 -64.3 -32.8 25.2 5.1 16.3 77 77 A G H X S+ 0 0 4 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.904 108.1 48.6 -64.5 -41.7 24.3 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 7,-0.4 0.926 110.4 51.1 -63.1 -47.1 24.3 6.2 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.730 111.9 47.2 -66.0 -23.9 22.2 3.4 12.6 80 80 A R H 3< S+ 0 0 180 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.517 92.9 94.2 -92.3 -12.0 19.6 5.9 13.8 81 81 A N S+ 0 0 0 -3,-0.2 4,-2.9 -6,-0.2 3,-0.3 0.851 100.6 68.3 -88.8 -39.6 22.0 6.0 6.2 85 85 A K H X S+ 0 0 79 -4,-2.8 4,-3.0 -7,-0.4 5,-0.2 0.900 98.9 51.1 -48.6 -50.3 21.1 2.9 7.9 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.884 113.4 46.1 -59.5 -37.3 19.9 1.1 4.7 87 87 A V H >> S+ 0 0 2 -4,-0.5 4,-1.1 -3,-0.3 3,-0.9 0.975 111.7 50.5 -67.2 -53.6 23.2 1.9 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.925 109.6 52.1 -49.1 -48.7 25.3 0.9 5.9 89 89 A D H 3< S+ 0 0 80 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.780 106.9 53.5 -62.1 -27.8 23.5 -2.4 6.1 90 90 A S H << S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.686 95.3 89.0 -82.9 -15.0 24.1 -3.1 2.5 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-1.1 31,-0.0 -0.489 74.6-117.0 -87.4 159.9 27.8 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.0 1,-0.0 5,-0.2 -0.233 44.5 -91.5 -78.5 171.4 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.867 122.1 47.8 -55.5 -46.1 33.1 -4.4 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.3 2,-0.2 3,-0.4 0.935 113.3 45.5 -64.8 -49.8 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.837 105.1 63.1 -66.8 -27.7 33.1 0.1 2.7 96 96 A R H X S+ 0 0 77 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.907 101.5 52.3 -60.2 -38.9 31.2 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.3 -3,-0.4 -1,-0.2 0.877 104.9 54.6 -63.3 -37.0 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.868 108.8 49.1 -63.9 -36.4 34.5 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.889 109.2 50.9 -71.1 -38.3 30.9 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.926 106.9 56.4 -63.5 -41.2 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 107.4 47.6 -55.4 -49.6 34.8 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.902 112.4 48.4 -60.9 -41.9 32.6 10.6 6.0 103 103 A V H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.890 108.5 54.3 -67.3 -37.1 30.1 10.9 8.9 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.907 116.4 39.8 -61.5 -38.8 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 132.7 17.4 -75.6 -48.6 34.1 14.3 9.1 106 106 A M H X S- 0 0 55 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.489 103.5-112.7-110.2 -4.0 30.9 16.0 8.0 107 107 A G H X - 0 0 31 -4,-2.3 4,-2.0 -5,-0.3 5,-0.2 0.139 36.1 -80.1 81.5 149.6 28.2 14.8 10.3 108 108 A E H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.834 129.0 52.7 -52.7 -42.1 25.3 12.6 9.6 109 109 A T H > S+ 0 0 120 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.937 107.2 53.5 -60.3 -48.9 23.2 15.4 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.927 114.1 39.7 -51.2 -55.4 26.0 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.0 3,-2.6 1,-0.2 -1,-0.2 0.862 103.6 67.4 -65.9 -39.2 26.4 12.8 4.4 112 112 A A H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 94.5 64.3 -52.6 -25.6 22.6 12.1 4.3 113 113 A G T << S+ 0 0 57 -4,-1.0 2,-1.7 -3,-0.8 3,-0.3 0.496 73.4 87.3 -77.0 -10.2 22.6 14.8 1.6 114 114 A F <> + 0 0 41 -3,-2.6 4,-2.8 1,-0.2 5,-0.3 -0.317 57.3 158.5 -88.4 56.0 24.7 12.8 -0.9 115 115 A T H > + 0 0 88 -2,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.881 64.6 44.6 -44.4 -56.9 21.5 11.4 -2.1 116 116 A N H > S+ 0 0 91 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.890 113.9 48.9 -62.0 -42.4 22.5 10.3 -5.4 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 108.7 54.9 -64.2 -40.3 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.871 107.6 49.7 -60.7 -39.3 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 119 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.926 110.7 49.3 -68.6 -39.3 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 28 -4,-1.9 5,-2.2 2,-0.2 4,-0.3 0.884 110.5 50.4 -66.3 -38.5 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.937 108.4 51.6 -64.8 -44.1 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.5 51.5 -59.8 -31.3 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.481 112.4-122.0 -83.3 -3.6 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.8 2,-1.2 -4,-0.3 -3,-0.2 0.786 62.5 145.6 65.1 30.6 26.8 -1.6 -5.8 125 125 A R >< + 0 0 110 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.750 21.3 173.4 -98.3 79.2 27.7 0.7 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.890 68.0 46.4 -58.1 -51.8 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 115.0 47.5 -62.8 -42.6 32.7 3.3 -10.4 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.2 51.9 -66.6 -39.1 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.916 107.6 53.1 -63.5 -40.3 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.884 109.8 48.5 -62.6 -35.5 33.1 7.3 -7.1 131 131 A V H X S+ 0 0 94 -4,-1.7 4,-0.6 2,-0.2 3,-0.4 0.941 113.4 46.1 -69.0 -45.4 32.5 9.6 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.893 107.3 57.6 -63.7 -39.9 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.832 100.5 59.5 -59.0 -34.5 31.2 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.9 -3,-0.4 -1,-0.2 0.674 84.8 79.0 -71.3 -20.5 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 164 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.547 81.6 96.0 -87.8 73.9 31.6 16.3 -7.7 136 136 A S S > S- 0 0 19 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.996 85.0-113.8-156.7 160.6 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.929 115.0 62.2 -60.9 -43.7 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.915 106.5 43.2 -46.1 -52.8 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 114.5 50.0 -64.3 -42.8 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 115.9 41.2 -68.3 -31.7 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 108 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 131.7 21.2 -84.5 -39.6 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 -0.623 74.3 162.5-127.5 70.2 40.0 18.1 1.0 143 143 A P H > + 0 0 53 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.872 69.6 49.6 -60.3 -42.5 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.934 116.1 41.3 -67.6 -42.4 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.924 115.2 51.9 -67.2 -44.2 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.917 107.6 52.9 -57.3 -43.6 38.5 12.5 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.865 107.3 52.0 -60.8 -37.0 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 65 -4,-1.6 4,-1.2 2,-0.2 12,-0.2 0.912 113.3 43.5 -64.6 -42.6 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.892 113.7 50.5 -68.7 -44.4 37.8 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.876 108.9 51.9 -62.8 -40.2 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.3 4,-2.5 -5,-0.2 6,-0.4 0.867 107.1 55.1 -64.4 -32.8 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.893 110.6 43.5 -65.9 -42.5 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.874 114.7 50.7 -70.4 -37.8 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.900 125.5 22.6 -68.4 -41.6 35.4 1.9 -5.3 155 155 A T H < S- 0 0 47 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.668 85.5-136.1-102.3 -23.6 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.741 71.7 105.0 73.2 18.3 36.5 -2.3 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.803 78.7-122.1-124.2 171.2 40.1 -2.7 -0.2 158 158 A W S >> S+ 0 0 39 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.163 71.9 122.9 -97.0 16.5 42.4 -0.7 2.2 159 159 A D G >4 + 0 0 99 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.806 65.7 58.4 -47.6 -36.7 44.9 -0.0 -0.6 160 160 A A G 34 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.643 108.3 47.9 -71.5 -15.0 44.7 3.8 -0.3 161 161 A Y G <4 0 0 19 -3,-2.1 -1,-0.2 -13,-0.1 -2,-0.2 0.422 360.0 360.0-106.1 -0.1 45.8 3.6 3.3 162 162 A K << 0 0 178 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.818 360.0 360.0-105.3 360.0 48.8 1.2 2.8