==== 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 17-OCT-97 236L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8663.0 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 0 1 1 0 0 3 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.1 43.5 -1.8 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.947 360.0 -84.9-155.2 172.0 40.3 -0.7 10.8 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.844 124.0 50.6 -51.1 -41.3 38.2 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 113.3 42.9 -67.6 -47.5 40.3 3.6 14.1 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.860 114.4 53.2 -66.4 -35.4 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.943 112.0 42.3 -65.8 -50.0 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.847 108.6 59.8 -67.4 -31.5 40.6 7.9 10.9 8 8 A R H X S+ 0 0 98 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.876 107.2 47.8 -65.2 -31.1 43.8 8.3 12.9 9 9 A I H < S+ 0 0 86 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.926 115.4 44.1 -71.3 -44.9 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.816 124.6 31.0 -70.2 -34.1 43.1 11.1 8.1 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.3 -5,-0.2 -1,-0.2 0.719 91.2-153.3-100.0 -26.8 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.209 25.3 -84.6 78.1-173.8 46.1 13.1 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.978 43.0 172.5-138.3 122.5 46.7 13.7 16.6 14 14 A R E -A 28 0A 144 14,-1.5 14,-2.4 -2,-0.4 4,-0.1 -1.000 18.6-164.7-133.7 131.3 47.1 17.1 18.3 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.435 73.8 61.4 -94.2 -5.5 47.2 17.7 22.0 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.919 101.3 -85.5-120.9 150.1 46.7 21.4 21.9 17 17 A I E + 0 0 31 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.208 58.9 170.8 -52.2 136.8 43.7 23.3 20.6 18 18 A Y E -A 26 0A 27 8,-3.8 8,-3.9 -4,-0.1 2,-0.4 -0.883 34.6-103.7-141.7 174.8 44.0 23.8 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.3 5,-0.0 -0.876 33.2-138.8-104.5 133.1 42.1 25.0 13.9 20 20 A D > - 0 0 50 4,-3.0 3,-2.1 -2,-0.4 -1,-0.0 -0.145 40.0 -82.0 -79.5-172.8 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 0.724 134.6 48.6 -60.5 -25.7 40.7 22.8 7.5 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.404 124.3-104.2 -92.9 -1.9 37.5 24.9 7.9 23 23 A G S < S+ 0 0 37 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.559 73.9 141.3 89.2 13.3 39.1 27.2 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.716 59.7-102.3 -94.4 143.5 37.2 25.6 13.5 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-2.9 11,-0.4 9,-1.2 -0.389 54.3 161.1 -63.0 125.8 38.7 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.9 -8,-3.8 6,-0.2 2,-0.3 -0.897 19.0-171.8-141.8 167.8 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.8 -2,-0.3 -12,-0.2 -0.961 51.9 7.1-156.0 162.8 41.7 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.5 -2,-0.3 2,-1.0 -0.369 121.9 -7.8 68.6-131.9 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.614 126.2 -53.4-102.4 71.4 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.718 83.7 159.3 71.6 22.9 39.6 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-1.8 -4,-1.6 1,-0.0 -1,-0.2 -0.677 34.0-142.6 -83.0 105.6 37.3 16.3 17.7 32 32 A L E -B 26 0A 69 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.414 19.1-176.3 -64.6 130.6 35.5 19.5 16.8 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.893 59.1 -25.2 -95.6 -46.0 35.0 21.7 19.8 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.980 35.8-138.1-162.3 155.0 33.0 24.6 18.5 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.537 73.7 114.7 -93.3 -9.2 32.3 26.5 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.302 72.4-131.6 -64.7 144.0 32.5 29.7 17.3 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.424 77.8 98.7 -76.5 -0.5 35.3 32.2 16.5 38 38 A S > - 0 0 48 1,-0.1 4,-1.6 -13,-0.0 5,-0.1 -0.830 59.4-156.6-101.4 123.1 36.2 32.5 20.2 39 39 A L H > S+ 0 0 71 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.783 97.8 55.4 -62.0 -30.8 39.1 30.6 21.8 40 40 A N H > S+ 0 0 117 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.944 103.1 52.8 -70.3 -44.2 37.5 30.9 25.2 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.882 112.8 48.1 -54.3 -36.5 34.3 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.890 110.3 49.1 -70.4 -42.5 36.6 26.5 22.7 43 43 A K H X S+ 0 0 55 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.928 111.3 50.9 -66.3 -38.1 38.5 26.3 26.0 44 44 A S H X S+ 0 0 74 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.927 110.9 47.7 -65.0 -40.1 35.2 26.2 27.8 45 45 A E H X S+ 0 0 63 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.894 110.8 53.6 -66.4 -39.3 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.935 108.0 47.2 -60.7 -49.5 37.1 21.5 26.0 47 47 A D H X>S+ 0 0 33 -4,-2.2 4,-2.9 1,-0.2 5,-1.4 0.908 112.9 50.1 -61.1 -40.3 37.0 21.5 29.9 48 48 A K H <5S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.883 111.1 48.8 -64.6 -38.3 33.4 20.4 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.891 120.8 35.8 -69.3 -36.6 34.3 17.6 27.4 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.744 103.1-124.0 -88.4 -31.7 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.816 77.3 67.7 89.0 32.1 35.9 17.1 33.0 52 52 A R S - 0 0 10 -2,-1.0 3,-0.5 -11,-0.2 -1,-0.2 0.797 36.7-141.3 -91.5 -35.7 42.7 21.9 30.9 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.900 74.0 -58.6 69.7 37.0 44.0 25.2 29.7 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.606 116.9 102.1 67.4 16.3 43.6 24.0 26.1 57 57 A V B < +C 16 0B 65 -3,-0.5 2,-0.3 -41,-0.2 -41,-0.2 -0.994 44.9 178.6-132.3 137.7 45.9 21.0 26.4 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.827 25.9-109.2-129.7 170.4 45.1 17.4 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.528 31.5-109.1 -96.1 170.3 46.8 14.1 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 120.2 52.4 -62.8 -41.8 47.1 11.3 24.7 61 61 A D H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.880 109.5 49.1 -61.5 -39.9 44.8 9.1 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.902 109.8 52.5 -67.6 -39.6 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -34,-0.4 0.906 110.2 48.6 -60.5 -43.2 42.5 12.4 23.1 64 64 A E H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.791 107.3 54.6 -67.9 -30.4 41.9 8.7 22.6 65 65 A K H X S+ 0 0 139 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.959 109.5 46.7 -70.9 -43.8 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 0.897 111.6 54.8 -59.7 -38.4 37.3 11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.945 107.1 48.0 -62.2 -47.9 38.1 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.913 112.9 48.8 -59.5 -42.2 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 94 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.932 111.0 50.5 -64.6 -41.7 33.4 8.3 22.0 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.874 110.4 47.9 -66.4 -37.7 33.3 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.961 112.2 49.9 -67.4 -47.0 33.5 6.8 16.6 72 72 A D H X S+ 0 0 84 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.942 111.3 49.1 -56.1 -45.5 30.8 5.2 18.6 73 73 A A H X S+ 0 0 46 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.911 108.6 53.6 -63.4 -38.1 28.6 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.973 111.5 44.4 -61.6 -51.0 29.2 8.2 14.4 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.956 115.6 48.5 -55.4 -48.2 28.2 4.6 14.1 76 76 A R H X S+ 0 0 112 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.891 109.7 51.9 -60.9 -38.2 25.1 5.2 16.3 77 77 A G H X S+ 0 0 3 -4,-2.9 4,-0.6 -5,-0.3 3,-0.5 0.918 108.5 50.9 -65.1 -42.4 24.2 8.2 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 7,-0.4 0.948 109.1 51.8 -58.5 -46.9 24.3 6.2 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.697 110.9 46.5 -67.3 -20.2 22.1 3.4 12.6 80 80 A R H 3< S+ 0 0 182 -4,-1.1 2,-0.6 -3,-0.5 -1,-0.3 0.443 93.5 96.4 -98.5 -3.8 19.4 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.3 0.850 102.5 67.9 -91.4 -40.9 22.0 6.4 6.1 85 85 A K H X S+ 0 0 80 -4,-3.5 4,-2.6 -7,-0.4 5,-0.2 0.897 97.8 51.9 -49.0 -48.6 21.1 3.1 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.920 111.1 47.5 -59.8 -40.3 20.0 1.4 4.6 87 87 A A H > S+ 0 0 0 -4,-0.5 4,-0.9 -3,-0.3 3,-0.3 0.943 112.1 49.4 -63.3 -51.2 23.2 2.2 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.924 108.6 53.3 -53.7 -47.3 25.3 1.1 5.7 89 89 A D H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 106.4 53.9 -60.9 -32.1 23.4 -2.2 6.0 90 90 A S H 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.684 95.9 87.4 -78.7 -15.4 23.9 -2.9 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 31,-0.0 -4,-0.9 2,-0.0 -0.480 74.8-114.6 -90.6 160.9 27.7 -2.6 2.4 92 92 A D > - 0 0 56 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.222 45.4 -92.9 -75.9 171.1 30.7 -4.9 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.850 122.3 49.3 -59.7 -38.7 32.9 -4.2 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.4 1,-0.2 3,-0.2 0.939 112.0 46.8 -68.3 -45.4 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.858 105.0 60.7 -66.7 -32.7 33.0 0.1 2.7 96 96 A R H X S+ 0 0 82 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.910 101.5 55.6 -57.2 -39.1 31.1 0.6 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.914 104.2 53.2 -61.4 -39.4 34.4 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.913 109.5 47.7 -62.9 -39.4 34.4 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.908 109.5 52.3 -70.2 -37.9 30.9 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.954 107.4 54.6 -61.8 -41.6 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 107.9 47.9 -55.1 -46.6 34.8 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.909 113.1 48.4 -63.9 -40.7 32.6 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.901 109.1 53.7 -66.1 -38.6 30.1 10.8 8.9 104 104 A F H < S+ 0 0 29 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.928 116.1 39.5 -61.9 -40.4 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.923 132.1 18.1 -76.4 -47.3 34.1 14.3 9.2 106 106 A M H X S- 0 0 55 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.426 102.6-115.7-111.4 0.9 30.9 16.0 8.0 107 107 A G H X - 0 0 32 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.205 37.1 -74.8 78.6 156.0 28.2 14.8 10.3 108 108 A E H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.802 130.0 52.9 -57.4 -33.5 25.2 12.8 9.6 109 109 A T H > S+ 0 0 124 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 106.8 51.7 -70.4 -45.3 23.4 15.6 8.0 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-1.1 1,-0.2 -2,-0.2 0.961 115.3 41.5 -54.9 -55.9 26.2 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.5 1,-0.3 -1,-0.2 0.888 105.0 63.0 -62.5 -41.6 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.745 95.5 65.6 -55.1 -21.4 22.6 12.3 4.4 113 113 A G T << S+ 0 0 58 -3,-1.1 2,-1.2 -4,-1.1 3,-0.3 0.556 75.5 85.1 -76.5 -13.4 22.7 15.0 1.6 114 114 A F <> + 0 0 37 -3,-2.5 4,-2.7 1,-0.2 5,-0.3 -0.248 56.6 153.8 -83.7 48.5 24.7 12.7 -0.7 115 115 A T H > + 0 0 88 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.881 66.3 44.2 -45.0 -55.3 21.4 11.3 -1.8 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.903 113.2 49.0 -62.8 -44.9 22.5 10.2 -5.2 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.921 109.1 55.2 -63.0 -37.6 25.8 8.7 -4.2 118 118 A L H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.890 107.2 49.7 -59.5 -40.0 24.1 6.7 -1.4 119 119 A R H X S+ 0 0 124 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.936 111.3 48.3 -67.3 -41.5 21.7 5.2 -3.9 120 120 A M H X>S+ 0 0 27 -4,-2.1 5,-2.1 1,-0.2 4,-0.6 0.872 109.7 52.7 -68.5 -35.3 24.5 4.2 -6.2 121 121 A L H ><5S+ 0 0 3 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.948 107.7 50.6 -66.0 -43.6 26.3 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 109.9 51.7 -59.9 -30.7 23.3 0.7 -2.4 123 123 A Q H 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.551 112.3-123.8 -82.0 -6.4 23.1 -0.5 -6.0 124 124 A K T <<5 + 0 0 102 -3,-1.6 2,-1.2 -4,-0.6 -3,-0.2 0.807 59.9 147.9 67.2 35.3 26.7 -1.5 -5.9 125 125 A R >< + 0 0 107 -5,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.712 20.6 176.3 -99.5 78.5 27.7 0.7 -8.9 126 126 A W H > S+ 0 0 50 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.889 70.9 44.2 -53.9 -50.6 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 115.2 48.5 -66.5 -39.3 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 110.7 50.3 -68.5 -39.6 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.906 107.9 54.3 -64.3 -37.3 29.3 6.2 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.900 108.6 48.2 -63.4 -41.9 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 90 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.949 113.8 47.1 -63.4 -46.8 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.899 107.9 55.2 -64.3 -38.6 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.898 101.6 60.1 -62.1 -34.7 31.1 11.5 -4.8 134 134 A A H 3< S+ 0 0 25 -4,-1.4 2,-1.6 1,-0.2 -1,-0.2 0.707 86.3 78.2 -66.6 -20.9 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 162 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.573 80.2 96.3 -91.0 75.2 31.4 16.2 -7.6 136 136 A S S > S- 0 0 18 -2,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.988 85.2-115.4-157.0 155.1 31.2 17.9 -4.1 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.919 116.4 64.9 -56.7 -42.2 32.5 20.7 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.909 104.9 41.9 -46.1 -50.8 33.9 17.9 0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.6 49.4 -69.3 -37.6 36.2 16.6 -2.8 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.9 42.0 -70.5 -34.8 37.2 20.1 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.890 131.8 19.5 -79.6 -43.9 38.1 21.3 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.626 74.0 161.7-128.2 74.1 39.9 18.1 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.829 68.0 53.2 -64.5 -39.1 40.8 16.3 -2.2 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.940 115.6 38.5 -69.4 -42.5 43.5 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 115.2 53.7 -71.7 -42.1 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.948 106.6 53.7 -56.5 -43.9 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.881 108.0 50.5 -58.0 -36.1 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.916 112.6 44.7 -67.9 -42.7 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 113.7 50.9 -65.5 -44.3 37.7 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.907 107.9 51.7 -58.8 -45.2 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.3 6,-0.4 0.859 107.8 54.2 -60.5 -35.4 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.903 110.9 44.4 -66.0 -42.9 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 115.8 49.0 -68.3 -36.8 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 100 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 125.2 23.8 -68.7 -46.8 35.4 2.0 -5.3 155 155 A T H < S- 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.594 86.3-135.4 -96.9 -21.2 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.764 73.0 102.1 68.9 21.5 36.4 -2.3 -1.3 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.833 79.7-120.7-128.7 173.9 40.0 -2.6 -0.1 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.5 1,-0.2 4,-0.7 0.195 71.1 122.0 -98.2 14.3 42.4 -0.6 2.2 159 159 A D G >4 + 0 0 95 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.801 66.1 59.3 -49.7 -33.7 44.8 0.0 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.620 110.2 44.0 -71.2 -15.1 44.6 3.8 -0.3 161 161 A Y G <4 0 0 19 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.461 360.0 360.0-109.2 -4.6 45.7 3.6 3.3 162 162 A K << 0 0 170 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.864 360.0 360.0 -96.1 360.0 48.5 1.1 2.9