==== 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 23-AUG-99 1CVK . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.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) . 8558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 13 8.0 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 0 1 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.3 43.7 -1.9 9.0 2 2 A N > - 0 0 71 156,-0.0 4,-2.5 95,-0.0 3,-0.3 -0.902 360.0 -82.0-144.3 178.6 40.5 -0.8 10.7 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.841 122.6 52.5 -55.6 -42.1 38.3 2.3 11.3 4 4 A F H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.9 41.7 -64.6 -41.9 40.4 3.6 14.2 5 5 A E H > S+ 0 0 98 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.837 112.9 54.4 -72.2 -35.9 43.6 3.5 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.4 0.972 112.2 41.5 -60.9 -57.2 42.1 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.865 109.4 60.4 -61.1 -32.8 40.7 7.8 10.9 8 8 A R H X S+ 0 0 97 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.892 107.1 47.5 -64.6 -28.0 43.9 8.3 12.9 9 9 A I H < S+ 0 0 87 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.921 114.1 45.4 -77.9 -41.1 45.7 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.811 125.0 28.5 -71.5 -31.0 43.2 11.0 8.1 11 11 A E H < S- 0 0 43 -4,-2.5 19,-0.3 -5,-0.2 -1,-0.2 0.659 90.5-152.7-104.6 -23.8 42.9 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.136 25.1 -84.6 74.9-172.4 46.3 13.1 12.9 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.991 42.3 172.7-136.3 127.2 46.8 13.7 16.7 14 14 A R E -A 28 0A 128 14,-1.1 14,-2.5 -2,-0.4 4,-0.1 -0.999 17.4-165.5-135.5 130.3 47.3 17.2 18.3 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.478 73.5 66.0 -98.4 -0.9 47.3 17.6 22.0 16 16 A K E S-C 57 0B 87 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.927 99.4 -90.4-123.2 142.3 47.0 21.3 21.8 17 17 A I E + 0 0 16 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.255 58.2 165.7 -49.4 136.4 43.9 23.3 20.5 18 18 A Y E -A 26 0A 30 8,-2.7 8,-2.9 6,-0.1 2,-0.4 -0.871 36.4-100.8-146.2 173.1 44.3 23.9 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.855 32.7-133.9-104.4 139.7 42.2 25.1 13.9 20 20 A D > - 0 0 49 4,-3.1 3,-1.5 -2,-0.4 -1,-0.1 -0.071 39.3 -85.1 -79.1-174.0 40.9 22.7 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.702 134.8 48.2 -62.2 -19.4 41.0 23.0 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.510 124.4-105.4 -93.9 -14.2 37.8 25.1 8.0 23 23 A G S < S+ 0 0 36 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.565 73.1 142.1 96.3 16.8 39.3 27.2 10.7 24 24 A Y - 0 0 79 1,-0.1 -4,-3.1 9,-0.0 -1,-0.3 -0.737 59.1-102.1 -96.6 146.0 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 36 9,-0.8 8,-2.8 11,-0.4 9,-1.5 -0.463 53.2 161.0 -67.0 124.6 38.7 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.7 -2,-0.3 2,-0.3 -0.863 19.8-168.4-138.9 162.9 39.6 21.4 17.3 27 27 A I E > - B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 -12,-0.2 -0.969 54.4 -0.4-150.4 160.0 41.8 19.1 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.1 -2,-0.3 2,-1.0 -0.367 122.7 -4.0 67.7-130.3 43.0 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 -0.624 127.6 -53.2-102.2 71.6 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-0.9 -19,-0.3 -2,-0.2 0.748 82.7 161.7 71.1 24.1 39.7 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.5 1,-0.0 2,-0.2 -0.667 31.5-144.9 -80.5 101.4 37.5 16.3 17.8 32 32 A L E +B 26 0A 67 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.415 20.4 179.8 -63.2 126.3 35.6 19.6 16.8 33 33 A L E - 0 0 16 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.901 56.8 -17.8 -93.7 -48.0 35.1 21.7 19.8 34 34 A T E -B 25 0A 27 -9,-1.5 -9,-0.8 2,-0.1 -1,-0.4 -0.989 33.2-144.9-158.3 152.8 33.3 24.8 18.5 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.500 74.2 107.6 -93.5 -12.3 32.4 26.7 15.4 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.352 74.9-129.7 -69.7 147.6 32.7 29.9 17.3 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.530 76.6 102.7 -75.9 -6.8 35.6 32.2 16.7 38 38 A S > - 0 0 41 1,-0.2 4,-1.8 -13,-0.0 5,-0.1 -0.755 56.1-160.2 -95.2 124.4 36.4 32.5 20.3 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.738 96.9 57.4 -63.4 -27.7 39.3 30.6 21.9 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.960 104.6 48.0 -68.4 -52.2 37.7 31.1 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.885 113.6 51.0 -55.5 -37.8 34.6 29.5 24.1 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.910 109.3 48.5 -65.8 -45.1 36.8 26.7 22.7 43 43 A K H X S+ 0 0 53 -4,-2.8 4,-2.2 1,-0.2 11,-0.2 0.881 110.2 52.2 -65.2 -35.9 38.6 26.2 25.8 44 44 A S H X S+ 0 0 72 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.912 109.2 48.7 -68.7 -38.5 35.5 26.2 27.8 45 45 A E H X S+ 0 0 66 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.905 110.7 53.7 -64.7 -39.5 34.0 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.947 107.5 47.9 -60.2 -46.9 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 5,-0.9 0.887 111.6 50.9 -61.7 -36.0 37.2 21.6 29.7 48 48 A K H <5S+ 0 0 139 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.882 110.9 49.5 -67.8 -38.4 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.3 34.9 -68.7 -40.0 34.5 17.6 27.4 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.741 101.9-127.0 -86.7 -29.9 37.4 16.4 29.5 51 51 A G T <5S+ 0 0 64 -4,-2.0 2,-0.3 -5,-0.4 -3,-0.2 0.797 76.1 72.8 86.7 25.4 36.1 17.2 32.9 52 52 A R S - 0 0 7 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.719 33.4-142.4 -93.3 -20.4 42.8 21.9 30.9 55 55 A N T 3 S- 0 0 116 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.882 73.8 -56.3 62.3 33.2 44.0 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.510 117.6 98.6 77.7 2.7 43.9 24.1 26.0 57 57 A V B < +C 16 0B 66 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.956 45.2 177.2-128.9 140.4 46.1 21.1 26.4 58 58 A I - 0 0 6 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.857 26.7-111.2-131.7 168.3 45.2 17.4 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.510 34.0-104.4 -92.7 171.1 47.1 14.1 27.2 60 60 A K H > S+ 0 0 102 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.884 121.2 51.7 -59.1 -45.4 47.2 11.3 24.7 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.867 109.1 50.7 -60.4 -40.5 44.9 9.2 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.911 109.9 50.4 -63.1 -42.3 42.4 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.872 110.4 49.9 -63.2 -38.0 42.6 12.4 23.2 64 64 A E H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.822 106.4 55.3 -73.3 -31.2 42.0 8.7 22.7 65 65 A K H X S+ 0 0 137 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.940 108.2 47.4 -65.1 -44.7 39.1 8.8 25.0 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.926 110.9 54.3 -60.3 -41.4 37.4 11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.932 106.3 49.5 -59.9 -49.3 38.2 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.917 113.1 48.4 -56.5 -42.7 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 96 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.921 111.3 50.3 -62.8 -44.9 33.4 8.4 22.0 70 70 A D H X S+ 0 0 33 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.827 112.1 45.0 -65.3 -36.7 33.4 10.0 18.6 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.936 112.9 51.2 -71.8 -45.5 33.6 6.8 16.7 72 72 A D H X S+ 0 0 86 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.952 111.7 49.3 -54.3 -44.0 31.0 5.1 18.8 73 73 A A H X S+ 0 0 44 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.885 108.0 53.0 -64.7 -39.0 28.8 8.1 18.2 74 74 A A H X S+ 0 0 9 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.944 110.3 45.0 -65.0 -48.8 29.3 8.1 14.5 75 75 A V H X S+ 0 0 33 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.953 114.5 50.2 -58.5 -49.1 28.3 4.4 14.0 76 76 A R H X S+ 0 0 125 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.918 108.7 53.2 -58.6 -39.0 25.3 4.9 16.3 77 77 A G H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.3 3,-0.5 0.939 109.2 47.8 -61.5 -45.7 24.3 8.0 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 7,-0.4 0.922 109.4 55.0 -57.5 -44.4 24.4 6.0 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 111.8 41.7 -67.4 -21.7 22.4 3.4 12.6 80 80 A R H 3< S+ 0 0 181 -4,-1.4 2,-0.6 -3,-0.5 -1,-0.3 0.414 92.2 101.1 -97.3 -11.3 19.6 5.7 13.7 81 81 A N S+ 0 0 127 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.813 120.2 43.3 -89.3 -29.7 18.7 7.4 5.0 84 84 A L H >> S+ 0 0 7 2,-0.2 4,-2.6 1,-0.1 3,-0.7 0.887 96.9 70.2 -81.1 -41.8 22.0 6.1 6.1 85 85 A K H 3X S+ 0 0 83 -4,-2.6 4,-2.9 -7,-0.4 5,-0.2 0.888 99.6 48.6 -46.0 -44.0 21.2 2.9 7.8 86 86 A P H 3> S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.863 110.0 51.6 -70.1 -32.8 20.2 1.1 4.7 87 87 A V H < S+ 0 0 32 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.918 110.5 51.8 -53.4 -46.7 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.820 105.6 56.7 -66.4 -26.3 23.6 -2.4 6.0 90 90 A S H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.5 2,-0.2 0.574 96.6 86.5 -77.8 -12.1 24.1 -3.0 2.3 91 91 A L S << S- 0 0 7 -3,-1.4 31,-0.0 -4,-0.6 30,-0.0 -0.651 73.9-117.8 -96.2 160.5 27.8 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.181 45.1 -91.4 -78.5 174.8 30.8 -5.0 3.2 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.827 121.2 47.1 -61.1 -38.7 33.2 -4.3 6.1 94 94 A V H >> S+ 0 0 26 62,-0.2 4,-1.3 1,-0.2 3,-0.6 0.963 112.8 46.3 -69.8 -50.5 35.6 -2.2 4.3 95 95 A R H 3> S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.828 105.2 62.2 -61.2 -31.0 33.2 0.1 2.6 96 96 A R H 3X S+ 0 0 80 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.896 101.1 54.2 -57.9 -39.3 31.3 0.5 5.9 97 97 A A H S+ 0 0 54 1,-0.2 4,-4.3 2,-0.2 -1,-0.2 0.824 127.4 49.7 -57.7 -43.2 25.3 12.8 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.925 108.2 53.8 -65.1 -48.6 23.3 15.4 7.9 110 110 A G H >< S+ 0 0 34 -4,-0.6 3,-0.9 1,-0.2 -2,-0.2 0.956 117.3 37.8 -49.3 -57.9 26.1 16.3 5.7 111 111 A V H >< S+ 0 0 6 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.924 103.5 66.8 -65.7 -45.5 26.4 12.8 4.6 112 112 A A H 3< S+ 0 0 19 -4,-4.3 -1,-0.3 1,-0.3 -2,-0.2 0.800 96.4 65.0 -46.6 -25.7 22.7 12.1 4.6 113 113 A G T << S+ 0 0 56 -4,-1.5 2,-1.4 -3,-0.9 3,-0.3 0.401 71.3 86.8 -78.8 -0.3 22.7 14.7 1.6 114 114 A F <> + 0 0 46 -3,-2.5 4,-2.2 1,-0.2 5,-0.2 -0.443 56.1 155.7 -96.8 63.5 24.8 12.7 -0.9 115 115 A T H > + 0 0 78 -2,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.902 63.9 47.4 -58.3 -47.2 21.5 11.2 -1.9 116 116 A N H > S+ 0 0 76 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.924 112.1 48.3 -66.0 -43.4 22.5 10.3 -5.4 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.861 108.1 57.8 -64.6 -36.7 25.8 8.6 -4.4 118 118 A A H X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.891 105.3 48.9 -60.4 -40.6 24.0 6.7 -1.7 119 119 A R H X S+ 0 0 121 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.936 111.6 50.4 -65.0 -39.5 21.7 5.2 -4.2 120 120 A M H <>S+ 0 0 23 -4,-1.8 5,-2.2 1,-0.2 4,-0.4 0.890 108.9 50.5 -67.5 -37.6 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 7 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.945 108.6 52.4 -66.2 -43.0 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 109.4 48.9 -61.0 -32.8 23.3 0.7 -2.5 123 123 A Q T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.448 113.1-121.7 -84.2 0.5 23.1 -0.6 -6.1 124 124 A K T < 5 + 0 0 99 -3,-1.8 2,-1.2 -4,-0.4 -3,-0.2 0.795 60.5 148.7 64.0 35.0 26.8 -1.5 -5.9 125 125 A R >< + 0 0 104 -5,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.711 19.5 174.9 -96.5 81.0 27.8 0.7 -8.9 126 126 A W H > S+ 0 0 50 -2,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.855 70.3 46.5 -57.8 -46.5 31.3 1.5 -7.5 127 127 A D H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 114.5 49.2 -65.4 -42.3 32.8 3.4 -10.4 128 128 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 109.5 49.6 -63.3 -45.0 29.7 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.887 108.4 54.7 -61.0 -39.4 29.4 6.4 -7.1 130 130 A A H X S+ 0 0 10 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.889 108.2 48.8 -63.7 -39.5 33.1 7.4 -7.0 131 131 A V H >X S+ 0 0 93 -4,-1.9 3,-0.7 1,-0.2 4,-0.7 0.971 114.2 44.7 -64.6 -51.7 32.6 9.8 -9.8 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.879 107.5 58.1 -60.6 -39.0 29.6 11.4 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.3 0.863 100.0 61.2 -60.0 -30.9 31.2 11.5 -4.9 134 134 A A H << S+ 0 0 26 -4,-1.2 2,-1.7 -3,-0.7 -1,-0.2 0.689 86.0 77.0 -70.0 -19.4 34.0 13.6 -6.5 135 135 A K S << S+ 0 0 155 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 -0.583 79.4 96.4 -90.7 74.8 31.7 16.4 -7.5 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.996 84.6-114.3-155.9 154.6 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.923 115.1 64.3 -53.8 -42.8 32.7 20.7 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 106.0 41.7 -44.7 -54.0 34.1 17.9 0.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.9 52.1 -66.5 -41.2 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.3 40.8 -65.4 -35.8 37.3 20.2 -3.7 141 141 A Q H < S+ 0 0 106 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.840 131.2 22.2 -80.9 -39.4 38.4 21.3 -0.2 142 142 A T S X S+ 0 0 24 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.507 72.9 161.9-130.0 67.4 40.1 18.1 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.802 69.8 49.5 -55.5 -42.9 41.1 16.4 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.912 116.3 40.9 -69.5 -43.3 43.7 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.916 115.6 52.2 -68.1 -44.7 41.6 12.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.926 106.9 52.2 -57.7 -44.8 38.6 12.6 -0.1 147 147 A K H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.873 107.8 53.0 -59.7 -38.4 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.6 4,-1.5 2,-0.2 12,-0.2 0.931 112.3 44.8 -60.2 -44.6 41.5 8.1 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.913 113.8 48.8 -64.9 -45.8 37.9 7.6 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.850 108.4 52.9 -63.4 -40.1 36.6 7.3 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.3 4,-3.0 -5,-0.2 6,-0.4 0.880 106.9 54.5 -65.1 -35.8 39.2 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.896 112.1 43.1 -63.0 -40.0 38.1 2.7 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.875 115.9 49.4 -72.6 -35.9 34.5 2.8 -1.8 154 154 A R H < S+ 0 0 100 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.941 125.2 24.6 -66.0 -47.7 35.6 2.1 -5.3 155 155 A T H < S- 0 0 46 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.705 84.7-135.7 -92.1 -32.9 37.8 -0.8 -4.5 156 156 A G S < S+ 0 0 15 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.636 73.3 98.6 80.3 11.9 36.6 -2.3 -1.4 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -63,-0.1 -1,-0.3 -0.756 79.6-118.3-123.7 176.3 40.2 -2.6 -0.1 158 158 A W S > S+ 0 0 42 -2,-0.2 3,-1.9 1,-0.2 4,-0.2 0.202 71.8 121.3-100.6 17.7 42.6 -0.6 2.1 159 159 A D G > + 0 0 86 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.768 64.1 58.5 -53.7 -33.9 45.0 0.1 -0.5 160 160 A A G 3 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.657 105.7 54.8 -73.0 -14.8 44.9 3.9 -0.4 161 161 A Y G < 0 0 18 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.423 360.0 360.0-101.3 6.6 45.8 3.6 3.1 162 162 A K < 0 0 183 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.778 360.0 360.0-103.7 360.0 48.9 1.5 2.5