==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CU3 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 10 6.2 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 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.7 43.1 -2.0 9.4 2 2 A N > - 0 0 72 156,-0.0 4,-3.2 95,-0.0 5,-0.2 -0.932 360.0 -77.0-155.1 177.6 39.9 -0.7 10.9 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.819 123.3 52.1 -52.2 -38.4 37.8 2.4 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 115.4 38.3 -65.4 -52.0 40.0 3.7 14.2 5 5 A E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.866 114.7 56.5 -65.0 -40.5 43.2 3.5 12.3 6 6 A M H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.958 114.7 36.5 -55.7 -52.8 41.5 4.6 9.3 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.828 110.7 61.2 -71.4 -31.3 40.2 7.7 11.0 8 8 A R H X S+ 0 0 99 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.867 107.1 48.1 -64.6 -28.3 43.3 8.2 12.9 9 9 A I H < S+ 0 0 85 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.934 114.1 43.5 -75.5 -44.8 45.1 8.4 9.7 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.779 124.8 33.3 -70.5 -27.3 42.7 10.9 8.1 11 11 A E H < S- 0 0 46 -4,-2.4 19,-0.4 1,-0.1 -1,-0.2 0.615 89.3-154.0-105.5 -19.4 42.4 13.1 11.2 12 12 A G < - 0 0 27 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.1 -0.147 26.2 -87.4 69.7-172.0 45.8 13.0 12.9 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.979 41.3 174.7-142.9 125.4 46.2 13.6 16.6 14 14 A R E -A 28 0A 129 14,-1.6 14,-2.4 -2,-0.4 4,-0.1 -0.997 18.2-164.5-138.2 128.1 46.7 16.9 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-1.9 12,-0.2 2,-0.4 0.459 74.6 61.2 -91.1 -5.9 46.8 17.5 22.0 16 16 A K E S-C 57 0B 91 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.894 100.7 -88.0-119.3 151.1 46.3 21.2 21.9 17 17 A I E + 0 0 9 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.295 57.2 172.7 -56.0 142.7 43.3 23.0 20.5 18 18 A Y E -A 26 0A 31 8,-3.9 8,-3.7 -4,-0.1 2,-0.5 -0.899 33.5-103.1-145.7 174.9 43.6 23.7 16.9 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.864 34.5-141.9-104.2 131.7 41.8 24.9 13.8 20 20 A D > - 0 0 50 4,-2.4 3,-0.7 -2,-0.5 -1,-0.1 -0.010 38.9 -81.6 -80.9-168.9 40.6 22.6 11.3 21 21 A T T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.610 135.7 44.0 -70.7 -11.9 40.5 22.8 7.6 22 22 A E T 3 S- 0 0 90 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.441 125.4-104.8-103.2 -11.0 37.3 24.9 7.8 23 23 A G S < S+ 0 0 30 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.614 70.9 144.8 94.8 21.1 38.8 26.9 10.7 24 24 A Y - 0 0 72 1,-0.1 -4,-2.4 9,-0.0 2,-0.3 -0.698 58.3-102.2 -95.1 146.8 36.9 25.3 13.6 25 25 A Y E +AB 19 34A 39 9,-0.9 8,-2.9 11,-0.5 9,-1.5 -0.457 55.6 161.3 -66.1 122.7 38.3 24.7 16.9 26 26 A T E -AB 18 32A 3 -8,-3.7 -8,-3.9 -2,-0.3 2,-0.3 -0.882 16.8-174.7-137.9 165.8 39.1 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 -12,-0.2 -0.948 50.4 8.4-154.7 171.1 41.3 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-1.0 -0.248 122.9 -8.0 57.2-129.3 42.5 15.3 19.7 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.627 126.0 -52.7-103.2 76.7 41.5 13.1 16.8 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.751 86.0 156.1 67.6 22.6 39.2 15.3 14.7 31 31 A H E < -B 27 0A 34 -4,-2.0 -4,-1.5 1,-0.0 2,-0.3 -0.691 36.1-143.3 -85.0 104.2 37.0 16.1 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.418 17.9-174.4 -66.5 125.2 35.3 19.4 16.8 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.3 -7,-0.2 0.931 60.7 -19.1 -86.2 -46.8 34.9 21.6 19.8 34 34 A T E -B 25 0A 26 -9,-1.5 -9,-0.9 2,-0.1 -1,-0.3 -0.993 36.0-140.0-159.8 153.6 32.9 24.4 18.3 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.482 79.8 97.3 -91.5 -4.6 31.9 26.2 15.2 36 36 A S S S- 0 0 48 2,-0.1 -11,-0.5 1,-0.1 -2,-0.1 -0.469 78.1-125.0 -88.1 160.4 32.3 29.5 16.9 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.382 74.4 106.2 -84.2 1.1 35.3 31.8 16.9 38 38 A S > - 0 0 56 1,-0.2 4,-2.2 2,-0.1 -2,-0.1 -0.711 52.4-161.8 -90.1 125.3 35.9 32.1 20.6 39 39 A L H > S+ 0 0 57 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.702 97.3 56.9 -72.2 -14.5 38.8 30.3 21.9 40 40 A N H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 103.9 49.9 -80.1 -38.6 37.1 30.7 25.2 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.898 112.5 48.6 -62.7 -39.1 34.1 29.0 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.921 111.3 49.7 -67.7 -40.3 36.4 26.3 22.7 43 43 A K H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 11,-0.3 0.854 113.4 46.6 -65.4 -36.4 38.2 26.1 26.0 44 44 A S H X S+ 0 0 76 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.951 111.9 49.1 -69.8 -50.6 34.8 25.9 27.8 45 45 A E H X S+ 0 0 71 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.965 113.3 50.2 -51.1 -53.6 33.5 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.902 110.6 46.9 -53.6 -48.5 36.7 21.4 26.0 47 47 A D H X>S+ 0 0 37 -4,-2.4 4,-2.7 1,-0.2 5,-1.2 0.935 112.2 50.0 -62.3 -44.5 36.6 21.6 29.8 48 48 A K H <5S+ 0 0 142 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.8 50.2 -58.9 -36.2 33.0 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.895 118.1 36.2 -72.1 -37.9 34.0 17.6 27.6 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.716 102.4-126.3 -87.7 -26.7 36.8 16.4 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.795 77.9 68.7 82.7 29.0 35.4 17.1 33.0 52 52 A R S - 0 0 7 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.813 30.7-143.9 -82.1 -33.7 42.3 21.6 30.7 55 55 A N T 3 S- 0 0 127 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.840 74.1 -60.0 70.0 29.5 43.8 24.9 29.9 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.510 119.3 102.9 75.6 9.7 43.4 23.9 26.2 57 57 A V B < +C 16 0B 74 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.987 45.1 179.8-131.4 133.1 45.6 20.9 26.7 58 58 A I - 0 0 3 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.880 27.8-112.3-129.3 154.3 44.6 17.2 27.0 59 59 A T > - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.476 32.8-109.0 -84.5 162.7 46.5 14.0 27.4 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 121.0 56.4 -55.7 -38.3 46.6 11.3 24.7 61 61 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 107.1 46.1 -59.3 -51.2 44.4 9.2 26.9 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.891 112.6 52.4 -58.2 -44.6 41.7 11.8 27.1 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.874 109.8 47.2 -58.6 -45.1 42.0 12.3 23.3 64 64 A E H X S+ 0 0 66 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.853 109.2 56.2 -69.4 -30.4 41.5 8.6 22.7 65 65 A K H X S+ 0 0 128 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.954 107.8 45.8 -64.8 -48.2 38.7 8.8 25.0 66 66 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.892 111.1 55.9 -58.1 -40.5 37.0 11.4 23.0 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.951 105.2 49.4 -60.3 -50.9 37.8 9.5 19.9 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 111.6 49.6 -55.8 -42.9 36.1 6.4 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.935 112.0 49.1 -64.1 -40.6 33.0 8.3 22.1 70 70 A D H X S+ 0 0 32 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.862 110.4 48.4 -66.5 -39.9 32.9 9.9 18.7 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.967 113.9 48.2 -66.2 -45.4 33.3 6.8 16.8 72 72 A D H X S+ 0 0 99 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.936 109.5 51.5 -57.3 -46.7 30.7 5.3 18.8 73 73 A A H X S+ 0 0 55 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.894 109.1 52.5 -57.9 -41.0 28.3 8.2 18.4 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.943 107.2 49.9 -60.9 -49.9 28.8 8.1 14.7 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.950 113.7 46.8 -54.0 -49.2 27.9 4.5 14.4 76 76 A R H X S+ 0 0 126 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.883 108.2 55.5 -62.7 -39.3 24.8 5.0 16.4 77 77 A G H X S+ 0 0 3 -4,-2.8 4,-1.7 -5,-0.2 3,-0.5 0.963 110.3 46.1 -58.6 -48.1 23.9 8.1 14.3 78 78 A I H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 7,-0.3 0.935 112.7 50.3 -55.8 -49.7 24.1 6.0 11.2 79 79 A L H < S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.690 113.6 45.4 -63.8 -25.3 22.1 3.3 12.8 80 80 A R H < S+ 0 0 174 -4,-1.7 2,-0.4 -3,-0.5 -1,-0.3 0.621 93.5 94.7 -92.7 -19.2 19.5 5.7 13.9 81 81 A N X - 0 0 15 -4,-1.7 4,-3.4 -3,-0.3 -4,-0.0 -0.601 64.1-152.1 -80.3 128.6 19.3 7.5 10.6 82 82 A A T 4 S+ 0 0 88 -2,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.768 96.1 43.6 -70.8 -26.3 16.6 6.3 8.3 83 83 A K T 4 S+ 0 0 121 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.805 121.9 40.9 -86.1 -26.8 18.3 7.2 5.1 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.4 0.850 100.1 69.0 -86.9 -39.5 21.5 5.9 6.3 85 85 A K H X S+ 0 0 87 -4,-3.4 4,-2.3 -7,-0.3 5,-0.2 0.891 100.6 43.5 -50.0 -54.9 20.7 2.7 8.1 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.806 112.3 57.9 -67.9 -21.2 19.6 0.6 5.3 87 87 A M H > S+ 0 0 0 -3,-0.4 4,-0.8 -4,-0.3 3,-0.3 0.963 107.1 45.0 -68.0 -48.1 22.6 1.9 3.4 88 88 A Y H >< S+ 0 0 33 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.869 109.3 57.0 -60.3 -40.6 24.9 0.8 5.9 89 89 A D H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 102.7 55.3 -64.8 -33.5 23.2 -2.6 6.1 90 90 A S H 3< S+ 0 0 42 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.682 96.2 87.0 -74.8 -18.4 23.6 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-0.8 2,-0.1 -4,-0.8 31,-0.0 -0.515 75.4-118.5 -89.4 158.6 27.4 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.2 1,-0.0 5,-0.2 -0.245 46.3 -90.3 -77.2 168.4 30.3 -5.0 3.3 93 93 A A H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.835 122.0 46.8 -56.5 -39.5 32.6 -4.3 6.2 94 94 A V H >> S+ 0 0 23 62,-0.2 4,-2.0 2,-0.2 3,-0.8 0.980 111.7 49.5 -67.3 -54.8 35.2 -2.1 4.4 95 95 A R H 3> S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.858 105.7 59.0 -54.7 -34.5 32.7 0.0 2.7 96 96 A R H 3X S+ 0 0 75 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.909 102.0 53.9 -61.2 -39.3 30.9 0.5 6.0 97 97 A A H S+ 0 0 59 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.775 131.1 54.3 -50.9 -42.6 24.8 12.4 9.4 109 109 A T H > S+ 0 0 113 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.964 108.0 46.0 -59.7 -59.7 23.2 15.4 7.9 110 110 A G H >< S+ 0 0 32 -4,-1.0 3,-1.3 1,-0.2 -2,-0.2 0.955 117.6 44.9 -52.4 -55.1 26.0 16.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 -1,-0.2 0.907 101.6 64.4 -59.8 -43.8 26.3 12.6 4.6 112 112 A A H 3< S+ 0 0 6 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.772 94.9 65.0 -52.8 -22.7 22.6 12.1 4.2 113 113 A G T << S+ 0 0 60 -3,-1.3 3,-0.3 -4,-1.0 -1,-0.3 0.406 76.4 80.7 -83.1 0.3 22.7 14.7 1.2 114 114 A F <> + 0 0 36 -3,-2.2 4,-2.9 1,-0.2 3,-0.4 -0.234 60.1 148.0 -92.8 41.0 24.8 12.7 -1.1 115 115 A T H > + 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.827 63.5 50.4 -50.5 -37.2 21.6 11.0 -1.9 116 116 A N H > S+ 0 0 95 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.910 112.4 45.5 -69.9 -40.6 22.5 10.2 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.887 111.3 54.4 -66.6 -40.3 25.8 8.7 -4.5 118 118 A L H X S+ 0 0 13 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.907 106.4 52.2 -60.3 -41.3 24.1 6.7 -1.8 119 119 A R H X S+ 0 0 167 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.934 110.0 46.2 -64.2 -39.5 21.7 5.4 -4.2 120 120 A M H <>S+ 0 0 47 -4,-1.9 5,-2.3 1,-0.2 -1,-0.2 0.860 112.6 52.9 -68.0 -34.9 24.4 4.2 -6.5 121 121 A L H ><5S+ 0 0 1 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.937 105.9 52.4 -65.1 -42.4 26.2 2.8 -3.6 122 122 A Q H 3<5S+ 0 0 93 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.914 108.5 50.8 -58.6 -40.9 23.1 1.0 -2.6 123 123 A Q T 3<5S- 0 0 94 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.416 112.9-121.3 -76.6 1.9 22.9 -0.4 -6.2 124 124 A K T < 5 + 0 0 98 -3,-2.1 2,-1.3 -4,-0.2 -3,-0.2 0.783 63.4 145.5 62.1 30.1 26.6 -1.6 -5.9 125 125 A R >< + 0 0 109 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.674 21.6 175.4 -97.7 77.5 27.6 0.5 -8.9 126 126 A W H > + 0 0 48 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.831 68.2 47.1 -55.2 -45.2 31.0 1.4 -7.6 127 127 A D H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 114.0 48.2 -68.3 -38.8 32.5 3.2 -10.5 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 111.1 49.0 -65.6 -48.2 29.5 5.4 -11.0 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.8 1,-0.2 5,-0.2 0.883 107.7 56.2 -57.0 -42.1 29.2 6.3 -7.3 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.953 108.7 46.8 -56.3 -49.1 32.8 7.1 -7.2 131 131 A V H X S+ 0 0 96 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.922 114.6 46.6 -57.1 -48.5 32.4 9.6 -10.0 132 132 A N H >< S+ 0 0 36 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.872 107.7 55.7 -65.4 -39.3 29.3 11.0 -8.4 133 133 A L H 3< S+ 0 0 1 -4,-3.8 6,-0.4 1,-0.2 -1,-0.2 0.892 101.2 61.5 -61.1 -34.2 31.0 11.3 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.9 2,-1.8 -5,-0.2 -1,-0.2 0.721 85.1 78.4 -64.8 -22.8 33.7 13.3 -6.6 135 135 A K S << S+ 0 0 162 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.477 80.4 96.2 -86.2 67.2 31.3 16.1 -7.7 136 136 A S S > S- 0 0 17 -2,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.984 83.8-115.6-152.0 163.0 31.1 17.7 -4.4 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.915 114.3 62.6 -62.1 -42.6 32.4 20.4 -2.2 138 138 A W H > S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.915 105.3 43.9 -47.1 -52.9 33.8 17.8 0.0 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.868 113.7 50.9 -64.0 -38.1 36.0 16.4 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.781 115.3 41.0 -72.3 -26.8 37.1 19.9 -3.8 141 141 A Q H < S+ 0 0 103 -4,-2.3 -2,-0.2 -3,-0.2 -3,-0.2 0.841 131.5 21.6 -88.9 -42.0 38.0 21.0 -0.3 142 142 A T S X S+ 0 0 24 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 -0.548 75.1 160.2-127.4 66.2 39.7 17.9 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.878 68.6 50.7 -54.9 -52.0 40.7 16.1 -2.2 144 144 A N H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.957 116.4 41.9 -56.7 -48.4 43.4 13.7 -0.9 145 145 A R H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 114.0 51.8 -64.4 -46.5 41.2 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.918 105.8 54.9 -59.2 -39.5 38.2 12.3 -0.2 147 147 A K H X S+ 0 0 100 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.912 107.5 51.8 -61.3 -36.5 40.1 10.2 -2.8 148 148 A R H X S+ 0 0 64 -4,-1.9 4,-1.6 2,-0.2 12,-0.2 0.943 112.8 42.9 -62.2 -49.0 41.0 7.8 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.913 115.1 50.3 -61.1 -45.3 37.4 7.4 1.1 150 150 A I H X S+ 0 0 12 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.819 107.3 52.6 -62.8 -36.6 36.1 7.2 -2.4 151 151 A T H X S+ 0 0 35 -4,-2.3 4,-3.0 -5,-0.3 6,-0.3 0.858 106.1 56.1 -69.2 -32.9 38.6 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.859 109.5 44.9 -62.9 -42.1 37.5 2.6 -0.5 153 153 A F H < S+ 0 0 3 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.887 115.3 48.6 -69.6 -40.2 34.0 2.7 -1.7 154 154 A R H < S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.938 124.2 28.0 -65.3 -47.6 35.1 1.9 -5.3 155 155 A T H < S- 0 0 45 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.683 85.6-135.6 -90.7 -27.5 37.2 -1.0 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.4 -62,-0.2 1,-0.3 2,-0.2 0.632 74.8 101.0 75.9 8.5 35.9 -2.5 -1.2 157 157 A T S S- 0 0 44 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.784 81.7-119.9-123.3 171.8 39.5 -2.7 0.0 158 158 A W S > S+ 0 0 41 -2,-0.2 3,-2.5 1,-0.2 4,-0.5 0.181 72.7 120.9 -92.5 15.0 42.0 -0.8 2.3 159 159 A D G > + 0 0 95 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.835 67.0 57.4 -47.6 -43.9 44.3 -0.1 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.639 108.8 49.1 -65.4 -14.3 44.2 3.7 -0.3 161 161 A Y G < 0 0 20 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.457 360.0 360.0-107.5 1.6 45.4 3.3 3.3 162 162 A K < 0 0 176 -3,-1.4 -3,-0.1 -4,-0.5 -2,-0.1 0.608 360.0 360.0-112.0 360.0 48.4 1.0 2.8