==== 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 163L . 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) . 8740.0 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 . 10 6.2 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 . 85 52.5 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 1 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 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 55 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.6 43.5 -1.8 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-3.1 95,-0.0 5,-0.2 -0.930 360.0 -82.1-151.1 176.2 40.3 -0.7 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.842 125.5 49.4 -52.7 -41.5 38.1 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 114.2 43.1 -66.7 -47.5 40.2 3.6 14.1 5 5 A E H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.864 113.7 53.4 -64.6 -39.8 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 3,-0.3 0.964 112.8 41.5 -61.7 -53.2 41.8 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.4 0.841 109.0 59.6 -63.4 -32.5 40.6 7.8 10.9 8 8 A R H X S+ 0 0 96 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.912 108.3 47.1 -62.6 -35.8 43.8 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 0.938 115.8 43.5 -70.2 -43.5 45.5 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.818 125.5 30.6 -70.8 -32.5 43.0 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.708 91.6-152.9-100.2 -26.8 42.7 13.3 11.2 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.225 25.3 -85.2 77.2-169.6 46.1 13.0 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 43.0 172.7-140.8 125.6 46.6 13.6 16.5 14 14 A R E -A 28 0A 145 14,-1.5 14,-2.3 -2,-0.4 4,-0.1 -0.999 19.3-163.4-136.2 128.8 47.2 17.0 18.3 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.419 74.9 60.9 -92.7 -3.8 47.3 17.6 22.0 16 16 A K E S-C 57 0B 145 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.925 101.4 -87.6-120.4 150.2 46.7 21.3 21.9 17 17 A I E + 0 0 28 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.240 58.5 170.8 -53.5 139.4 43.7 23.1 20.5 18 18 A Y E -A 26 0A 25 8,-3.1 8,-3.3 -4,-0.1 2,-0.5 -0.883 35.5-101.2-143.5 172.0 44.2 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.870 34.2-137.2-101.2 137.0 42.2 25.0 13.8 20 20 A D > - 0 0 47 4,-3.0 3,-1.9 -2,-0.5 -1,-0.1 -0.056 40.6 -82.0 -78.0-171.7 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.728 134.4 48.8 -63.8 -21.6 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.363 124.8-103.8 -94.1 -3.0 37.7 24.9 7.8 23 23 A G S < S+ 0 0 37 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.631 74.1 141.8 90.7 16.4 39.2 27.1 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.768 59.4-103.3 -97.6 144.2 37.3 25.6 13.5 25 25 A Y E +A 19 0A 36 9,-0.5 8,-2.6 11,-0.4 9,-1.3 -0.360 53.4 162.5 -63.9 129.2 38.8 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-3.1 6,-0.2 2,-0.3 -0.902 19.2-165.6-142.2 164.5 39.5 21.3 17.3 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.1 -2,-0.3 -12,-0.2 -0.977 52.0 -0.3-147.6 162.8 41.6 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.5 -2,-0.3 2,-0.9 -0.399 122.2 -5.6 69.5-132.0 42.9 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 -0.694 128.3 -52.9-103.3 73.5 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-0.9 -19,-0.4 -2,-0.2 0.764 84.0 159.6 68.0 27.6 39.6 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-2.0 1,-0.0 -1,-0.2 -0.720 33.6-143.8 -87.1 103.9 37.3 16.3 17.8 32 32 A L E -B 26 0A 71 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.448 18.1-174.7 -66.4 131.3 35.6 19.5 16.8 33 33 A L - 0 0 15 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.875 57.6 -30.1 -94.5 -48.6 35.1 21.7 19.8 34 34 A T - 0 0 30 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.974 35.5-134.7-163.8 161.0 33.1 24.6 18.5 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.508 72.4 113.3 -98.4 -8.8 32.4 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.329 73.1-129.5 -64.5 144.9 32.6 29.9 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.405 78.5 102.6 -76.2 1.9 35.5 32.1 16.5 38 38 A S > - 0 0 47 1,-0.1 4,-1.7 -13,-0.0 5,-0.1 -0.807 57.6-159.6-100.6 126.3 36.4 32.4 20.1 39 39 A L H > S+ 0 0 75 -2,-0.6 4,-2.4 1,-0.2 5,-0.1 0.772 96.2 55.2 -68.2 -28.0 39.2 30.5 21.7 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 104.6 52.7 -72.0 -39.4 37.8 30.9 25.1 41 41 A A H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 110.2 49.3 -59.2 -41.7 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.897 110.0 51.2 -64.3 -40.8 36.8 26.4 22.6 43 43 A K H X S+ 0 0 55 -4,-2.4 4,-2.0 2,-0.2 11,-0.2 0.889 110.1 49.2 -65.6 -37.5 38.6 26.1 26.0 44 44 A S H X S+ 0 0 72 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.901 111.4 47.4 -70.9 -39.1 35.3 26.1 27.8 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.8 54.1 -65.7 -39.7 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.921 108.6 46.4 -61.2 -41.6 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 5,-1.2 0.878 112.0 51.6 -66.7 -38.4 37.0 21.5 29.8 48 48 A K H <5S+ 0 0 143 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.860 110.6 48.3 -63.1 -41.9 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.5 34.9 -68.2 -39.0 34.3 17.5 27.4 50 50 A I H <5S- 0 0 37 -4,-2.0 -2,-0.2 2,-0.3 -1,-0.2 0.727 101.9-125.5 -89.2 -31.6 37.2 16.3 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 1,-0.4 -3,-0.2 0.793 76.2 72.3 88.4 27.5 35.9 17.1 33.0 52 52 A R S - 0 0 7 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.702 32.2-144.1 -93.7 -21.0 42.6 21.8 30.9 55 55 A N T 3 S- 0 0 130 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.867 73.6 -57.3 62.2 29.5 44.0 25.1 29.9 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.561 117.2 96.4 78.4 10.1 43.8 23.9 26.1 57 57 A V B < +C 16 0B 62 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.987 45.5 178.1-133.6 142.5 45.9 20.9 26.5 58 58 A I - 0 0 3 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.862 27.2-109.9-135.1 167.5 45.0 17.2 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.463 33.8-103.6 -91.8 172.4 46.9 14.0 27.2 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 121.4 52.8 -61.6 -42.0 47.1 11.2 24.8 61 61 A D H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 108.7 50.5 -60.8 -42.7 44.7 9.1 26.9 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 109.4 50.6 -64.3 -40.0 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -34,-0.4 0.910 110.8 50.2 -62.5 -43.1 42.4 12.3 23.1 64 64 A E H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.843 107.3 53.5 -66.0 -33.3 41.8 8.6 22.7 65 65 A K H X S+ 0 0 135 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.933 109.1 47.3 -67.6 -43.5 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 111.7 53.8 -61.0 -39.5 37.3 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.914 106.1 50.2 -62.5 -45.3 38.1 9.5 19.8 68 68 A N H X S+ 0 0 92 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.923 112.6 48.1 -58.8 -42.1 36.4 6.3 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.886 111.6 49.9 -64.7 -40.6 33.3 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.865 111.1 47.8 -68.5 -39.2 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.957 112.9 48.7 -66.2 -47.7 33.5 6.8 16.6 72 72 A D H X S+ 0 0 108 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.919 111.6 50.3 -57.7 -43.3 30.8 5.2 18.7 73 73 A A H X S+ 0 0 57 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.897 108.1 51.9 -65.3 -38.2 28.6 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 111.3 48.0 -64.8 -44.8 29.1 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.961 113.6 46.1 -58.5 -51.1 28.1 4.6 14.2 76 76 A R H X S+ 0 0 154 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.893 110.0 54.3 -62.8 -35.5 25.1 5.0 16.3 77 77 A G H X S+ 0 0 4 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.893 108.4 49.0 -65.1 -38.4 24.1 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 2,-0.2 7,-0.4 0.946 110.6 51.6 -60.1 -48.4 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.772 112.4 46.3 -63.7 -27.0 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 174 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.557 92.2 95.8 -89.2 -14.4 19.6 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -3,-0.2 3,-0.5 0.831 100.8 68.3 -88.9 -41.5 22.0 6.1 6.2 85 85 A K H X S+ 0 0 84 -4,-2.9 4,-2.7 -7,-0.4 5,-0.2 0.884 98.0 49.6 -48.8 -49.6 21.0 2.9 7.8 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.866 112.2 50.1 -64.4 -31.1 19.9 1.0 4.8 87 87 A V H > S+ 0 0 3 -3,-0.5 4,-0.8 -4,-0.4 3,-0.3 0.962 111.5 46.4 -67.9 -52.1 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.901 111.0 53.7 -54.7 -45.6 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.846 106.6 53.0 -63.5 -32.2 23.4 -2.4 6.1 90 90 A S H 3< S+ 0 0 34 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.638 97.1 87.1 -77.0 -15.3 23.9 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-0.9 31,-0.0 -4,-0.8 2,-0.0 -0.580 75.3-116.0 -92.6 159.1 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.182 44.8 -92.4 -74.8 171.7 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.836 121.2 48.1 -60.5 -41.1 32.9 -4.3 6.1 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.5 1,-0.2 3,-0.5 0.946 113.1 47.3 -66.4 -49.6 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.859 104.9 60.7 -63.6 -29.6 33.1 0.0 2.7 96 96 A R H X S+ 0 0 77 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.921 102.0 54.4 -61.6 -37.4 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.2 -3,-0.5 -1,-0.2 0.877 104.6 53.8 -62.0 -38.0 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.875 108.9 48.3 -63.9 -37.5 34.4 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.880 109.9 51.8 -69.4 -38.5 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.932 107.4 54.4 -62.5 -40.5 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 5,-0.2 0.948 107.9 48.5 -57.7 -48.2 34.7 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.881 112.1 48.6 -63.2 -38.6 32.6 10.5 6.0 103 103 A V H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.906 109.3 53.1 -69.6 -35.8 30.0 10.8 8.9 104 104 A F H < S+ 0 0 30 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.932 116.6 39.4 -62.6 -41.9 32.8 11.5 11.3 105 105 A Q H < S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.907 132.5 19.5 -73.2 -47.1 34.1 14.3 9.1 106 106 A M H X S- 0 0 53 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.492 102.3-113.7-110.1 -3.1 30.9 15.8 8.0 107 107 A G H X - 0 0 34 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.170 34.8 -81.9 82.0 151.5 28.2 14.8 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 126.7 51.4 -59.6 -39.1 25.2 12.7 9.6 109 109 A T H > S+ 0 0 120 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.919 107.7 54.0 -68.2 -39.7 23.1 15.4 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.948 113.1 41.5 -57.9 -53.2 25.9 16.3 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.2 -2,-0.2 0.884 103.9 65.9 -62.8 -40.1 26.3 12.7 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 94.6 64.5 -56.0 -25.1 22.5 12.1 4.3 113 113 A G T << S+ 0 0 54 -4,-1.1 2,-1.6 -3,-0.8 3,-0.4 0.562 74.1 85.3 -76.0 -10.2 22.6 14.8 1.5 114 114 A F <> + 0 0 41 -3,-2.6 4,-2.9 1,-0.2 5,-0.3 -0.219 57.5 156.5 -86.0 52.8 24.7 12.8 -1.0 115 115 A T H > + 0 0 86 -2,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.856 65.2 46.1 -42.4 -54.6 21.4 11.3 -2.0 116 116 A N H > S+ 0 0 86 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.894 113.4 47.6 -62.8 -41.9 22.5 10.3 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.905 110.2 54.7 -65.7 -40.6 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.904 106.7 51.0 -59.1 -41.6 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 153 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.919 111.4 47.1 -65.5 -38.7 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 24 -4,-1.9 5,-2.2 2,-0.2 4,-0.4 0.869 110.9 51.5 -70.4 -38.0 24.5 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.937 108.8 50.6 -64.4 -44.2 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.908 110.5 50.2 -59.1 -36.2 23.3 0.8 -2.2 123 123 A A T 3<5S- 0 0 51 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.463 112.8-122.4 -79.7 -3.1 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.7 2,-1.2 -4,-0.4 -3,-0.2 0.785 61.7 146.7 63.2 33.5 26.7 -1.5 -5.8 125 125 A R >< + 0 0 132 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.749 22.1 175.8 -98.8 80.1 27.6 0.6 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.882 68.9 44.7 -57.7 -52.0 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 114.4 50.8 -65.8 -36.6 32.6 3.3 -10.3 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 109.2 49.2 -67.0 -41.8 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.883 108.7 54.8 -63.5 -35.4 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.907 108.1 48.9 -65.5 -39.0 33.0 7.3 -7.1 131 131 A V H >X S+ 0 0 89 -4,-1.9 4,-0.6 1,-0.2 3,-0.6 0.967 113.8 44.9 -65.6 -48.8 32.4 9.6 -9.9 132 132 A N H >< S+ 0 0 42 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.873 108.1 57.7 -62.2 -39.5 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.848 100.7 59.4 -60.1 -33.1 31.1 11.5 -4.9 134 134 A A H << S+ 0 0 26 -4,-1.3 2,-1.8 -3,-0.6 -1,-0.2 0.706 86.7 76.9 -70.7 -21.4 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 166 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.502 81.5 99.0 -86.2 66.5 31.4 16.2 -7.7 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.994 84.6-117.8-149.1 156.1 31.2 17.8 -4.2 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.912 115.5 63.6 -57.5 -41.9 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.912 105.2 43.6 -46.3 -51.2 34.0 17.8 0.1 139 139 A Y H 4 S+ 0 0 54 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.1 48.5 -67.9 -38.6 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 115.8 42.5 -71.7 -34.5 37.3 20.0 -3.8 141 141 A Q H < S+ 0 0 107 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.898 131.9 19.3 -79.4 -40.5 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 -0.622 74.2 161.6-128.3 73.0 40.0 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 69.0 51.9 -64.6 -39.3 40.9 16.2 -2.1 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.948 115.7 40.7 -66.1 -45.1 43.5 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.935 115.8 51.7 -65.6 -45.5 41.4 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.928 107.9 51.7 -56.3 -46.5 38.3 12.4 -0.2 147 147 A K H X S+ 0 0 95 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.880 108.1 53.2 -58.0 -40.5 40.3 10.4 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.9 4,-1.7 2,-0.2 12,-0.2 0.944 112.9 42.0 -61.6 -45.6 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 114.3 52.1 -68.1 -41.9 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.894 107.5 51.2 -60.1 -43.4 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.876 107.4 55.5 -62.5 -34.0 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.911 110.2 44.0 -65.1 -43.9 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.5 49.5 -67.7 -39.2 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 125.8 22.9 -64.3 -46.0 35.3 1.9 -5.3 155 155 A T H < S- 0 0 46 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.666 85.5-136.5 -96.6 -27.8 37.5 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.4 -62,-0.2 0.734 72.2 99.4 72.5 22.4 36.4 -2.4 -1.2 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.804 81.0-117.2-129.5 175.0 40.0 -2.7 -0.0 158 158 A W S > S+ 0 0 50 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.105 71.2 123.7 -99.4 18.8 42.3 -0.7 2.1 159 159 A D G > + 0 0 114 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.814 65.8 59.3 -51.7 -34.8 44.8 -0.0 -0.6 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.662 109.0 46.9 -69.4 -14.8 44.6 3.8 -0.4 161 161 A Y G < 0 0 19 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.436 360.0 360.0-107.0 1.0 45.7 3.6 3.2 162 162 A K < 0 0 180 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.852 360.0 360.0 -98.3 360.0 48.6 1.1 2.6