==== 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) 28-MAY-93 119L . 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) . 8690.0 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.1 43.8 -1.9 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.894 360.0 -82.3-148.0 178.2 40.5 -0.8 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.842 124.5 52.8 -55.1 -44.6 38.4 2.4 11.3 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 112.7 41.9 -59.1 -50.1 40.5 3.6 14.2 5 5 A E H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.874 114.4 53.9 -66.2 -37.0 43.9 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.951 112.1 41.8 -63.0 -51.6 42.2 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.871 110.0 59.4 -66.0 -35.4 40.9 7.9 11.0 8 8 A R H X S+ 0 0 102 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.892 108.2 45.5 -60.0 -34.6 44.2 8.3 12.9 9 9 A I H < S+ 0 0 87 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.931 115.9 45.2 -75.3 -42.0 45.9 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.839 125.1 29.8 -70.3 -34.5 43.4 11.1 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.735 90.2-152.9-100.1 -27.4 43.1 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.166 25.2 -89.0 76.1-172.4 46.5 13.2 12.9 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.989 40.9 174.4-139.2 129.0 46.9 13.8 16.6 14 14 A R E -A 28 0A 141 14,-1.2 14,-2.2 -2,-0.4 4,-0.1 -0.996 19.6-162.2-137.5 127.4 47.5 17.1 18.3 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.382 75.6 63.5 -88.8 2.3 47.6 17.7 22.1 16 16 A K E S-C 57 0B 99 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.953 100.1 -89.6-126.7 141.3 47.1 21.5 21.9 17 17 A I E + 0 0 17 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.230 58.3 169.2 -49.1 135.5 44.0 23.4 20.5 18 18 A Y E -A 26 0A 28 8,-2.7 8,-2.9 -4,-0.1 2,-0.4 -0.880 35.9-101.6-140.9 174.2 44.5 24.0 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.858 32.9-136.9-104.1 136.2 42.5 25.1 13.9 20 20 A D > - 0 0 49 4,-2.9 3,-1.7 -2,-0.4 -1,-0.1 -0.062 41.1 -82.2 -76.4-173.9 41.1 22.6 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.721 133.5 49.5 -62.8 -21.3 41.1 23.0 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.339 123.5-104.9 -95.3 -2.6 37.9 25.1 7.9 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.584 73.7 141.3 88.9 12.9 39.5 27.3 10.5 24 24 A Y - 0 0 79 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.700 60.3-100.1 -92.5 147.8 37.5 25.8 13.5 25 25 A Y E +AB 19 34A 36 9,-0.7 8,-2.6 11,-0.4 9,-1.3 -0.416 54.5 163.2 -63.2 122.6 38.9 25.1 16.9 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-2.7 6,-0.2 2,-0.3 -0.899 19.0-167.5-137.9 161.7 39.8 21.4 17.3 27 27 A I E > - B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 -12,-0.2 -0.974 52.3 -3.7-148.4 161.8 41.9 19.2 19.6 28 28 A G E 4 S-A 14 0A 1 -14,-2.2 -14,-1.2 -2,-0.3 2,-1.0 -0.323 122.4 -3.4 64.5-130.0 43.2 15.5 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.648 128.1 -53.6 -97.7 70.8 42.2 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.772 83.1 160.8 70.9 21.7 39.8 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.6 1,-0.0 -1,-0.2 -0.659 33.3-142.5 -81.2 104.1 37.6 16.4 17.8 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.367 20.1-177.8 -62.0 130.2 35.7 19.6 16.8 33 33 A L E - 0 0 15 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.887 57.8 -26.9 -94.4 -50.7 35.4 21.9 19.8 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.975 33.8-139.9-161.9 152.7 33.4 24.9 18.5 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.520 74.0 111.4 -93.0 -6.7 32.6 26.8 15.4 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.357 73.3-130.0 -69.6 146.7 32.8 30.0 17.4 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.590 76.1 105.5 -70.8 -10.8 35.7 32.4 16.8 38 38 A S > - 0 0 50 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.616 55.9-161.6 -84.1 122.4 36.5 32.7 20.4 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.786 98.8 53.5 -63.9 -26.9 39.6 30.9 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 102.9 52.5 -78.4 -36.8 37.9 31.3 25.1 41 41 A A H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.912 111.4 51.4 -62.7 -33.3 34.7 29.7 24.0 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.880 108.3 48.9 -65.9 -45.3 37.1 26.7 22.8 43 43 A K H X S+ 0 0 47 -4,-2.0 4,-2.4 1,-0.2 11,-0.3 0.889 110.8 52.0 -64.7 -35.9 38.9 26.4 26.1 44 44 A S H X S+ 0 0 70 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.933 110.2 46.0 -67.5 -43.7 35.6 26.3 27.9 45 45 A E H X S+ 0 0 69 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.913 112.6 53.7 -64.9 -39.4 34.2 23.5 25.7 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.925 107.8 47.4 -60.7 -47.0 37.4 21.6 26.1 47 47 A D H X>S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 5,-1.1 0.893 112.9 50.5 -61.3 -39.4 37.3 21.8 29.9 48 48 A K H <5S+ 0 0 138 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.877 110.5 49.4 -63.1 -42.4 33.7 20.7 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.880 120.3 35.4 -66.7 -38.9 34.6 17.7 27.5 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.727 100.7-126.5 -90.6 -26.4 37.5 16.5 29.7 51 51 A G T <5S+ 0 0 70 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.794 78.1 72.6 83.8 26.5 36.1 17.3 33.1 52 52 A R S - 0 0 8 -2,-1.0 3,-1.8 -11,-0.3 -1,-0.2 0.674 32.1-145.5 -92.4 -19.9 43.0 22.0 30.9 55 55 A N T 3 S- 0 0 115 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.872 75.4 -57.2 54.4 36.0 44.3 25.4 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.2 1,-0.1 2,-0.5 0.481 116.4 103.2 76.7 5.8 44.1 24.1 26.2 57 57 A V B < +C 16 0B 70 -3,-1.8 2,-0.3 -41,-0.2 -41,-0.2 -0.956 43.2 178.6-128.0 135.4 46.3 21.2 26.7 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.5 -30,-0.1 -0.842 25.5-116.6-124.7 162.8 45.4 17.4 27.0 59 59 A T > - 0 0 69 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.495 35.1-103.4 -90.6 169.3 47.4 14.1 27.4 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 121.9 53.8 -59.2 -43.1 47.4 11.2 24.8 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 107.9 49.9 -58.3 -44.1 45.0 9.2 27.0 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.914 110.2 51.0 -62.5 -41.4 42.6 12.1 27.0 63 63 A A H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -34,-0.4 0.861 111.0 48.4 -59.2 -44.8 42.8 12.4 23.2 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.825 107.9 54.8 -67.6 -34.9 42.2 8.7 22.8 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 109.0 46.2 -62.5 -48.0 39.2 8.8 25.1 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.911 112.4 53.8 -58.9 -40.4 37.5 11.6 23.0 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.920 105.7 50.1 -63.6 -46.1 38.4 9.6 19.9 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.922 112.9 48.8 -59.3 -42.6 36.7 6.4 21.2 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.920 111.1 50.3 -62.4 -41.6 33.5 8.4 22.1 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.866 110.4 46.4 -66.9 -40.6 33.5 10.1 18.7 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.955 113.4 51.3 -67.2 -45.8 33.8 6.9 16.6 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.953 110.9 47.7 -54.0 -49.2 31.0 5.3 18.8 73 73 A A H X S+ 0 0 43 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.874 109.2 54.5 -60.4 -38.5 28.8 8.3 18.2 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.967 111.0 44.2 -61.0 -53.4 29.4 8.2 14.4 75 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.945 115.0 48.6 -53.1 -54.7 28.4 4.5 14.1 76 76 A R H X S+ 0 0 115 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.866 109.7 52.7 -57.8 -37.4 25.3 5.1 16.4 77 77 A G H X S+ 0 0 3 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.935 109.5 49.0 -65.4 -42.7 24.3 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 7,-0.4 0.934 111.0 50.0 -58.4 -47.0 24.5 6.1 11.1 79 79 A L H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 112.7 47.0 -67.8 -25.6 22.3 3.3 12.7 80 80 A R H 3< S+ 0 0 173 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.410 92.6 95.5 -90.8 -8.0 19.7 5.8 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.3 0.850 101.3 67.8 -87.3 -43.2 22.2 6.1 6.3 85 85 A K H X S+ 0 0 82 -4,-2.6 4,-2.7 -7,-0.4 5,-0.2 0.909 99.3 49.3 -47.6 -52.2 21.2 2.9 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.890 112.7 49.8 -60.3 -32.8 20.0 1.1 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-0.7 -3,-0.3 3,-0.3 0.965 111.5 46.7 -67.4 -50.9 23.3 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.925 110.1 53.5 -56.6 -46.0 25.4 0.8 5.9 89 89 A D H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.0 53.8 -62.0 -32.7 23.5 -2.5 6.2 90 90 A S H 3< S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.614 96.3 86.1 -74.7 -18.5 24.1 -3.2 2.5 91 91 A L S << S- 0 0 7 -3,-1.3 31,-0.0 -4,-0.7 2,-0.0 -0.577 74.5-116.9 -91.1 158.2 27.9 -2.7 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.0 1,-0.1 -1,-0.1 -0.175 45.6 -90.8 -76.7 171.1 30.9 -5.1 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.867 122.0 46.9 -57.8 -42.9 33.2 -4.4 6.2 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.954 113.2 46.9 -64.9 -53.7 35.8 -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 0.834 105.8 61.5 -60.0 -32.0 33.3 0.1 2.6 96 96 A R H X S+ 0 0 81 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.922 101.6 52.8 -58.1 -40.8 31.4 0.4 6.0 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.4 -3,-0.5 -1,-0.2 0.869 105.5 55.1 -62.4 -36.5 34.6 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.896 108.4 47.1 -62.8 -41.5 34.6 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.904 110.0 52.6 -69.6 -36.2 31.1 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.926 106.4 54.8 -64.4 -39.6 32.0 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.925 107.4 48.9 -60.4 -45.8 34.9 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.910 111.5 49.9 -61.6 -41.0 32.7 10.6 6.0 103 103 A V H X S+ 0 0 9 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.928 108.4 52.3 -65.0 -41.5 30.2 10.8 8.9 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 117.3 39.0 -60.6 -38.6 33.0 11.6 11.4 105 105 A Q H < S+ 0 0 59 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 132.8 20.0 -77.7 -48.3 34.3 14.4 9.2 106 106 A M H X S- 0 0 54 -4,-2.7 4,-0.5 -5,-0.2 -3,-0.2 0.504 102.6-115.6-108.2 -7.3 31.1 15.9 8.0 107 107 A G H X - 0 0 32 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.160 33.1 -82.3 81.4 155.5 28.3 14.8 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 125.9 54.4 -59.6 -41.0 25.3 12.7 9.7 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.915 108.5 48.0 -62.7 -44.6 23.3 15.5 8.2 110 110 A G H >< S+ 0 0 34 -4,-0.5 3,-0.9 2,-0.2 4,-0.2 0.935 114.0 45.4 -62.0 -49.9 25.9 16.4 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.7 1,-0.3 -2,-0.2 0.910 105.6 59.8 -62.1 -42.7 26.5 12.8 4.5 112 112 A A H 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.723 96.3 67.3 -59.1 -17.0 22.7 12.1 4.3 113 113 A G T << S+ 0 0 54 -3,-0.9 2,-1.4 -4,-0.6 -1,-0.3 0.610 74.5 85.4 -78.4 -12.1 22.7 15.0 1.8 114 114 A F <> + 0 0 43 -3,-2.7 4,-2.3 -4,-0.2 3,-0.4 -0.220 57.4 158.9 -83.9 52.8 24.7 12.9 -0.8 115 115 A T H > + 0 0 87 -2,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.812 66.1 44.2 -42.1 -58.2 21.5 11.4 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.861 114.3 48.7 -59.4 -43.0 22.6 10.3 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.848 109.6 53.4 -67.1 -39.8 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.884 108.7 49.8 -62.2 -40.9 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 124 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.909 111.4 48.4 -64.0 -43.8 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 24 -4,-1.9 5,-2.5 2,-0.2 4,-0.3 0.884 110.2 51.2 -65.0 -39.9 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.948 108.4 51.9 -62.5 -48.0 26.5 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.899 110.2 49.2 -54.5 -40.4 23.4 0.7 -2.3 123 123 A Q T 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.445 114.1-121.6 -77.7 -4.5 23.2 -0.5 -5.9 124 124 A K T < 5 + 0 0 100 -3,-2.2 2,-1.2 -4,-0.3 -3,-0.2 0.770 60.4 149.3 63.8 35.7 26.9 -1.5 -5.8 125 125 A R >< + 0 0 117 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.703 19.3 173.8 -98.7 77.0 27.7 0.8 -8.8 126 126 A W H > + 0 0 52 -2,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.862 69.9 43.5 -56.2 -52.7 31.3 1.4 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 116.0 49.5 -63.7 -42.6 32.8 3.4 -10.4 128 128 A E H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.891 110.3 50.0 -63.8 -40.8 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.886 107.4 54.3 -64.4 -40.0 29.5 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.905 109.8 47.8 -61.9 -43.4 33.2 7.3 -7.1 131 131 A V H >X S+ 0 0 82 -4,-2.0 3,-0.6 2,-0.2 4,-0.6 0.956 113.7 46.0 -62.5 -51.3 32.6 9.8 -9.9 132 132 A N H >< S+ 0 0 44 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.903 108.7 56.3 -61.7 -37.8 29.5 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.827 101.0 60.2 -61.2 -33.0 31.2 11.6 -4.9 134 134 A S H << S+ 0 0 36 -4,-1.1 2,-1.4 -3,-0.6 -1,-0.2 0.670 86.1 77.6 -71.9 -18.5 34.0 13.7 -6.5 135 135 A K S << S+ 0 0 152 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.573 80.8 97.2 -90.7 69.8 31.6 16.4 -7.6 136 136 A S S > S- 0 0 18 -2,-1.4 4,-1.8 1,-0.1 5,-0.2 -0.993 85.9-114.4-152.5 157.4 31.3 18.0 -4.2 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.914 115.0 63.6 -57.0 -42.1 32.7 20.8 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.907 104.7 43.8 -48.7 -50.0 34.2 18.0 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.9 49.2 -67.6 -41.2 36.4 16.7 -2.7 140 140 A N H < S+ 0 0 111 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.3 41.3 -69.9 -32.8 37.5 20.2 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 131.5 21.5 -82.9 -41.6 38.4 21.4 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.513 73.5 162.0-127.3 68.4 40.2 18.2 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.822 69.2 50.8 -60.2 -40.5 41.2 16.4 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.919 116.4 40.7 -67.4 -42.3 43.9 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 114.3 52.3 -68.6 -45.9 41.7 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.2 5,-0.2 0.922 108.0 53.1 -57.1 -42.0 38.6 12.5 -0.2 147 147 A K H X S+ 0 0 94 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 107.5 51.6 -59.7 -42.2 40.6 10.5 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.6 2,-0.2 12,-0.2 0.941 113.5 43.0 -60.0 -47.7 41.6 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.892 114.7 50.7 -64.8 -43.1 37.9 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.896 108.1 51.0 -63.8 -41.7 36.7 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.2 6,-0.3 0.875 106.8 55.6 -63.7 -37.4 39.2 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.889 110.4 45.7 -59.5 -40.7 38.2 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.8 49.5 -71.2 -37.3 34.5 2.8 -1.9 154 154 A R H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.901 125.4 23.0 -67.8 -42.2 35.6 2.0 -5.4 155 155 A T H < S- 0 0 46 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.714 84.5-135.7-101.6 -29.4 37.8 -1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.696 72.5 98.9 72.5 26.1 36.7 -2.4 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.805 81.2-115.9-132.4 174.3 40.3 -2.8 -0.1 158 158 A W S >> S+ 0 0 41 -2,-0.2 3,-1.9 1,-0.2 4,-0.5 0.155 71.7 123.6 -97.5 20.0 42.6 -0.7 2.1 159 159 A D G >4 + 0 0 98 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.818 65.8 56.8 -51.8 -39.5 45.1 0.0 -0.6 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.690 107.6 51.3 -68.4 -19.3 44.9 3.8 -0.4 161 161 A Y G <4 0 0 19 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.453 360.0 360.0 -99.6 -0.7 45.9 3.6 3.2 162 162 A K << 0 0 190 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.823 360.0 360.0-102.7 360.0 48.9 1.4 2.7