==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-99 1QTD . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.LIU,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8528.0 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 0 2 0 0 1 1 0 0 0 0 0 1 0 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 50 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.8 43.2 -2.0 9.3 2 2 A N > - 0 0 66 1,-0.0 4,-3.5 95,-0.0 5,-0.2 -0.905 360.0 -80.6-149.3-177.1 40.0 -0.7 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.845 125.6 48.6 -51.1 -49.4 37.8 2.2 11.2 4 4 A F H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.909 115.0 44.5 -59.1 -49.6 39.9 3.6 14.0 5 5 A E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.897 111.4 57.1 -62.6 -39.1 43.1 3.2 12.0 6 6 A M H X S+ 0 0 0 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.973 113.0 35.0 -56.7 -56.8 41.5 4.5 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.743 109.9 63.6 -73.2 -25.7 40.4 7.8 10.4 8 8 A R H X S+ 0 0 92 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.911 106.4 46.8 -65.4 -38.2 43.4 8.2 12.5 9 9 A I H < S+ 0 0 85 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.953 116.0 44.7 -65.5 -47.1 45.3 8.3 9.4 10 10 A D H < S+ 0 0 21 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.688 124.1 31.1 -66.7 -28.9 42.8 10.8 7.8 11 11 A E H < S- 0 0 46 -4,-2.2 19,-0.5 1,-0.1 -1,-0.2 0.527 94.4-154.0-108.7 -16.5 42.5 13.2 10.7 12 12 A G < - 0 0 25 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 0.005 24.6 -77.8 64.8-171.6 45.9 13.0 12.3 13 13 A L + 0 0 47 16,-0.1 2,-0.5 -4,-0.1 16,-0.2 -0.864 43.6 171.5-138.1 108.4 46.6 13.6 16.0 14 14 A R E -A 28 0A 119 14,-2.7 14,-2.7 -2,-0.4 4,-0.1 -0.938 15.3-167.9-115.9 122.6 46.9 17.1 17.6 15 15 A L E S+ 0 0 61 -2,-0.5 43,-3.5 12,-0.2 2,-0.3 0.477 74.6 53.9 -86.4 -3.1 47.2 17.5 21.4 16 16 A K E S-C 57 0B 90 41,-0.3 41,-0.2 1,-0.1 40,-0.1 -0.955 102.0 -83.0-132.9 143.7 46.7 21.2 21.4 17 17 A I E + 0 0 4 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 0.060 55.3 169.9 -43.6 157.6 43.8 23.2 19.9 18 18 A Y E -A 26 0A 47 8,-2.4 8,-4.1 -4,-0.1 2,-0.5 -0.985 35.1-102.4-166.7 163.0 44.0 24.0 16.2 19 19 A K E -A 25 0A 129 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.759 33.0-147.5 -94.2 127.2 42.1 25.3 13.2 20 20 A D - 0 0 52 4,-3.0 3,-0.3 -2,-0.5 -1,-0.1 0.135 41.0 -78.7 -74.0-158.1 40.8 22.9 10.6 21 21 A T S S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.963 135.6 48.4 -69.4 -50.8 40.4 23.5 6.8 22 22 A E S S- 0 0 77 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.484 128.1-105.2 -68.0 1.8 37.2 25.5 7.2 23 23 A G S S+ 0 0 31 -3,-0.3 -2,-0.1 1,-0.2 2,-0.1 0.675 71.3 149.9 83.7 19.3 39.2 27.3 9.9 24 24 A Y - 0 0 66 1,-0.1 -4,-3.0 -5,-0.1 2,-0.5 -0.408 52.2 -99.3 -87.7 159.6 37.5 25.7 12.9 25 25 A Y E +AB 19 34A 16 9,-1.5 8,-2.6 11,-0.4 9,-1.3 -0.610 53.8 156.3 -82.1 126.2 38.7 24.9 16.3 26 26 A T E -AB 18 32A 7 -8,-4.1 -8,-2.4 -2,-0.5 2,-0.3 -0.904 20.2-174.1-144.1 167.1 39.7 21.4 16.8 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.6 -2,-0.3 -12,-0.2 -0.961 52.9 6.7-155.8 168.7 41.8 19.2 18.8 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-2.7 -2,-0.3 2,-0.7 -0.300 120.1 -11.4 60.8-127.5 42.9 15.6 19.0 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.712 126.1 -49.0-110.7 74.1 41.9 13.3 16.2 30 30 A G T 4 S+ 0 0 17 -2,-0.7 2,-1.1 -19,-0.5 -2,-0.2 0.584 85.9 157.4 75.4 12.5 39.4 15.4 14.3 31 31 A H E < -B 27 0A 34 -4,-1.6 -4,-1.6 -20,-0.1 2,-0.5 -0.574 35.2-140.1 -81.1 111.0 37.4 16.4 17.2 32 32 A L E +B 26 0A 74 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.538 24.8 175.0 -71.3 119.4 35.5 19.5 16.5 33 33 A L E - 0 0 16 -8,-2.6 2,-0.4 -2,-0.5 -7,-0.2 0.921 61.7 -2.7 -86.5 -59.5 35.3 22.1 19.2 34 34 A T E -B 25 0A 25 -9,-1.3 -9,-1.5 2,-0.2 -1,-0.2 -0.919 35.1-151.1-150.2 132.0 33.6 25.0 17.7 35 35 A K S S+ 0 0 167 -2,-0.4 -1,-0.1 -11,-0.2 -11,-0.0 0.327 87.3 83.7 -72.8 13.9 32.2 26.3 14.5 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.4 -11,-0.1 -2,-0.2 -0.227 78.8-128.3-103.9-169.6 33.1 29.7 16.0 37 37 A P + 0 0 99 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.551 66.4 111.3-118.7 -22.0 36.2 31.9 16.4 38 38 A S > - 0 0 59 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.427 54.5-155.7 -60.3 108.8 36.5 32.7 20.0 39 39 A L H > S+ 0 0 61 -2,-0.7 4,-1.8 1,-0.3 -1,-0.2 0.802 100.7 50.2 -59.2 -15.8 39.6 30.9 21.0 40 40 A N H > S+ 0 0 101 2,-0.2 4,-3.0 3,-0.1 -1,-0.3 0.904 100.2 60.4 -86.2 -33.0 38.1 31.0 24.4 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.952 109.5 46.7 -48.7 -49.1 34.8 29.7 23.0 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.877 108.3 51.1 -65.4 -42.3 36.9 26.8 22.1 43 43 A K H X S+ 0 0 59 -4,-1.8 4,-3.2 -5,-0.2 11,-0.2 0.900 108.1 55.6 -66.5 -33.0 38.8 26.3 25.4 44 44 A S H X S+ 0 0 68 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.985 108.8 46.2 -58.7 -53.7 35.5 26.3 27.2 45 45 A E H X S+ 0 0 70 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.812 111.5 51.5 -55.6 -35.6 34.3 23.5 25.0 46 46 A L H X>S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.959 108.6 52.3 -67.8 -44.3 37.4 21.7 25.5 47 47 A D H X>S+ 0 0 30 -4,-3.2 4,-2.8 1,-0.2 5,-1.3 0.921 110.0 47.4 -52.9 -50.9 37.0 22.1 29.2 48 48 A K H <5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.729 111.9 52.8 -57.4 -37.1 33.4 20.7 29.2 49 49 A A H <5S+ 0 0 43 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.905 119.6 29.4 -70.1 -47.3 34.6 17.8 27.1 50 50 A I H <5S- 0 0 40 -4,-2.7 -2,-0.2 2,-0.3 -3,-0.2 0.778 101.5-127.7 -83.1 -32.1 37.4 16.6 29.3 51 51 A G T < - 0 0 9 -2,-0.7 3,-1.2 -11,-0.2 -1,-0.2 0.602 34.5-142.5-105.8 -16.9 42.9 22.1 30.1 55 55 A N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.845 73.9 -60.7 56.8 29.6 44.2 25.4 28.9 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.742 115.6 100.0 72.4 24.4 43.8 23.9 25.4 57 57 A V B < +C 16 0B 78 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.3 -0.999 45.0 176.9-138.6 137.0 46.2 21.0 25.7 58 58 A I - 0 0 5 -43,-3.5 2,-0.3 -2,-0.4 -30,-0.1 -0.785 28.2 -98.4-132.4 179.2 45.2 17.4 26.3 59 59 A T > - 0 0 52 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.659 28.5-116.5 -96.8 155.7 46.7 14.1 26.6 60 60 A K H > S+ 0 0 106 1,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.915 119.7 54.0 -46.8 -47.7 46.9 11.3 24.0 61 61 A D H > S+ 0 0 110 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.923 110.5 45.2 -58.0 -41.0 44.8 9.3 26.3 62 62 A E H > S+ 0 0 42 -3,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.800 109.0 54.4 -75.9 -29.2 42.3 12.0 26.3 63 63 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -34,-0.4 0.852 108.7 51.1 -71.7 -29.3 42.4 12.5 22.7 64 64 A E H X S+ 0 0 79 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.769 106.4 53.5 -74.0 -30.8 41.7 8.9 22.3 65 65 A K H X S+ 0 0 136 -4,-1.4 4,-1.6 2,-0.2 5,-0.3 0.875 107.6 50.3 -73.6 -40.0 38.7 9.0 24.6 66 66 A L H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.957 110.5 53.5 -59.9 -39.2 37.2 11.8 22.6 67 67 A F H X S+ 0 0 14 -4,-1.5 4,-3.6 2,-0.2 5,-0.3 0.892 105.0 49.3 -59.7 -51.2 37.8 9.6 19.6 68 68 A N H X S+ 0 0 85 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.927 113.3 48.2 -56.0 -43.6 36.1 6.5 20.8 69 69 A Q H X S+ 0 0 88 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.945 112.0 50.8 -63.2 -46.5 33.1 8.5 21.7 70 70 A D H X S+ 0 0 37 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.893 113.0 43.5 -61.4 -43.7 33.3 10.1 18.4 71 71 A V H X S+ 0 0 5 -4,-3.6 4,-2.5 2,-0.2 -2,-0.2 0.951 114.7 50.5 -67.5 -46.0 33.5 6.9 16.5 72 72 A D H X S+ 0 0 86 -4,-3.6 4,-1.8 -5,-0.3 5,-0.3 0.983 108.2 52.1 -51.0 -58.9 30.8 5.3 18.6 73 73 A A H X S+ 0 0 41 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.881 107.4 51.7 -46.4 -42.6 28.5 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-1.5 4,-2.5 -5,-0.2 5,-0.2 0.994 105.1 57.2 -62.5 -52.1 28.8 8.1 14.3 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.835 111.7 42.0 -45.4 -40.1 28.0 4.4 14.3 76 76 A R H X S+ 0 0 118 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.852 105.7 60.1 -79.9 -35.8 24.7 5.1 16.1 77 77 A G H >X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 3,-0.9 0.981 110.0 46.2 -53.8 -48.3 23.8 8.1 14.0 78 78 A I H 3< S+ 0 0 0 -4,-2.5 7,-0.5 1,-0.3 -2,-0.2 0.951 111.6 49.2 -54.3 -55.9 23.9 5.7 11.1 79 79 A L H 3< S+ 0 0 71 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.639 114.5 46.4 -61.2 -16.1 21.9 3.0 12.8 80 80 A R H << S+ 0 0 167 -4,-1.8 -1,-0.2 -3,-0.9 -2,-0.2 0.786 91.5 95.5 -96.9 -26.4 19.3 5.5 13.8 81 81 A N X - 0 0 35 -4,-2.6 4,-2.5 -5,-0.3 -4,-0.0 -0.402 65.1-150.9 -66.7 135.5 19.1 7.1 10.4 82 82 A A T 4 S+ 0 0 79 2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.672 97.1 40.0 -77.6 -25.8 16.3 5.8 8.3 83 83 A K T > S+ 0 0 134 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.758 123.5 39.1 -94.8 -31.7 18.0 6.4 5.1 84 84 A L H > S+ 0 0 3 -6,-0.2 4,-2.9 2,-0.2 3,-0.3 0.879 100.9 68.4 -86.3 -44.0 21.5 5.4 6.2 85 85 A K H X S+ 0 0 79 -4,-2.5 4,-2.5 -7,-0.5 5,-0.2 0.927 104.4 42.8 -42.2 -56.4 20.8 2.4 8.4 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.848 111.0 54.5 -65.6 -31.8 19.7 0.3 5.6 87 87 A V H >< S+ 0 0 6 -4,-0.6 3,-0.6 -3,-0.3 4,-0.5 0.979 110.1 49.3 -63.6 -46.3 22.4 1.4 3.3 88 88 A Y H >< S+ 0 0 41 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.883 108.4 52.3 -51.7 -49.1 24.8 0.4 6.0 89 89 A D H 3< S+ 0 0 79 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.800 103.0 59.2 -60.5 -33.0 23.3 -3.0 6.5 90 90 A S T << S+ 0 0 43 -4,-1.6 -1,-0.2 -3,-0.6 2,-0.2 0.596 95.6 82.4 -78.9 -5.1 23.5 -3.8 2.8 91 91 A L S < S- 0 0 8 -3,-1.2 31,-0.0 -4,-0.5 -4,-0.0 -0.652 76.0-115.9-102.9 162.9 27.2 -3.4 2.7 92 92 A D > - 0 0 63 -2,-0.2 4,-1.6 1,-0.1 -1,-0.1 -0.088 46.9 -90.5 -75.6-173.9 30.3 -5.5 3.4 93 93 A A H > S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.749 118.6 47.8 -77.3 -34.1 32.7 -4.5 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.9 2,-0.2 3,-0.3 0.951 112.6 49.9 -72.8 -46.2 35.2 -2.4 4.5 95 95 A R H > S+ 0 0 37 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.895 106.1 57.9 -57.6 -38.5 32.6 -0.3 2.7 96 96 A R H X S+ 0 0 64 -4,-1.6 4,-3.2 1,-0.2 -1,-0.3 0.937 102.1 53.0 -59.1 -44.5 30.8 0.2 5.9 97 97 A A H X S+ 0 0 8 -4,-1.3 4,-3.0 -3,-0.3 -1,-0.2 0.933 107.5 53.8 -55.6 -42.0 34.0 1.8 7.5 98 98 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.3 0.909 107.9 49.0 -56.8 -45.4 34.0 4.1 4.6 99 99 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.988 111.8 49.0 -55.8 -55.1 30.4 5.0 5.3 100 100 A I H X S+ 0 0 9 -4,-3.2 4,-1.6 1,-0.3 -2,-0.2 0.829 108.3 55.7 -55.7 -35.0 31.3 5.6 8.9 101 101 A N H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 5,-0.3 0.936 107.1 48.7 -66.3 -40.7 34.2 7.6 7.8 102 102 A M H X S+ 0 0 3 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.952 109.4 49.5 -60.5 -50.2 32.1 9.9 5.8 103 103 A V H X S+ 0 0 5 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.821 107.3 56.9 -56.6 -37.6 29.6 10.5 8.4 104 104 A F H < S+ 0 0 34 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.948 112.5 41.5 -62.7 -47.2 32.3 11.3 10.9 105 105 A Q H < S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.949 134.4 17.1 -69.9 -44.0 33.6 14.0 8.7 106 106 A M H X S- 0 0 48 -4,-3.2 4,-0.9 -5,-0.3 -2,-0.2 0.410 99.8-112.2-120.0 18.7 30.2 15.3 7.7 107 107 A G H X - 0 0 32 -4,-3.2 4,-2.7 3,-0.2 5,-0.2 0.332 36.4 -83.7 72.1 149.0 27.4 14.3 10.0 108 108 A E H > S+ 0 0 46 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.930 130.8 52.5 -51.8 -48.0 24.5 12.0 9.4 109 109 A T H 4 S+ 0 0 120 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.947 108.0 48.6 -54.5 -52.2 22.6 14.9 7.9 110 110 A G H >< S+ 0 0 32 -4,-0.9 3,-1.0 1,-0.2 4,-0.3 0.949 118.0 42.3 -51.3 -51.5 25.4 15.8 5.5 111 111 A V H >< S+ 0 0 7 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.928 103.9 60.8 -63.4 -52.1 25.7 12.3 4.4 112 112 A A T 3< S+ 0 0 22 -4,-3.8 -1,-0.3 1,-0.3 3,-0.2 0.444 91.7 75.6 -60.5 4.8 22.1 11.4 4.2 113 113 A G T < + 0 0 42 -3,-1.0 2,-3.1 -4,-0.4 3,-0.4 0.732 60.6 93.2 -89.7 -19.2 21.8 14.1 1.5 114 114 A F <> + 0 0 43 -3,-2.1 4,-3.5 -4,-0.3 -1,-0.2 0.083 53.8 163.3 -62.7 34.6 23.5 12.2 -1.2 115 115 A T H > S+ 0 0 90 -2,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.661 77.0 37.1 -22.4 -49.5 19.8 11.2 -2.1 116 116 A N H >> S+ 0 0 103 -3,-0.4 3,-1.5 2,-0.2 4,-0.5 0.875 118.4 46.2 -71.5 -96.4 21.0 10.2 -5.4 117 117 A S H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.605 99.7 81.3 -5.0 -70.5 24.3 8.7 -4.3 118 118 A L H 3X S+ 0 0 21 -4,-3.5 4,-1.5 1,-0.2 -1,-0.3 0.664 104.2 20.2 -8.6 -76.2 22.2 7.1 -1.6 119 119 A R H X>S+ 0 0 34 -4,-0.5 5,-1.7 -3,-0.2 3,-0.9 0.962 108.7 51.6 -37.6 -56.6 23.4 3.8 -6.6 121 121 A L H ><5S+ 0 0 9 -4,-1.9 3,-2.8 1,-0.3 4,-0.3 0.897 111.2 41.1 -33.1 -74.8 25.3 2.9 -3.5 122 122 A Q H 3<5S+ 0 0 93 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.755 107.1 65.1 -49.3 -31.8 22.7 0.4 -2.4 123 123 A Q H <<5S- 0 0 83 -4,-4.5 -1,-0.3 -3,-0.9 -2,-0.2 0.473 116.9-115.2 -69.6 -7.3 22.3 -0.7 -6.0 124 124 A K T <<5S+ 0 0 93 -3,-2.8 -3,-0.2 -4,-0.5 -2,-0.2 0.869 76.5 135.6 67.1 37.1 25.9 -2.0 -5.7 125 125 A R > < + 0 0 85 -5,-1.7 3,-0.5 -4,-0.3 -4,-0.2 0.887 15.4 151.0 -80.9 -56.3 26.7 0.7 -8.4 126 126 A W T > + 0 0 33 1,-0.2 2,-2.4 2,-0.1 3,-2.4 -0.038 58.7 59.9 45.0-158.1 29.9 2.5 -7.4 127 127 A D T 3> S+ 0 0 74 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 -0.234 116.5 39.2 46.5 -73.5 31.8 3.8 -10.3 128 128 A E H <> S+ 0 0 118 -2,-2.4 4,-1.9 -3,-0.5 -1,-0.3 0.876 119.0 47.7 -64.4 -40.7 28.8 5.9 -11.2 129 129 A W H <> S+ 0 0 0 -3,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.927 111.1 54.8 -68.3 -38.1 28.2 6.6 -7.6 130 130 A A H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.960 105.3 47.7 -61.8 -49.7 31.9 7.4 -7.4 131 131 A V H X S+ 0 0 76 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.943 107.0 58.5 -57.4 -43.7 32.0 10.0 -10.1 132 132 A N H >< S+ 0 0 51 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.958 106.1 50.1 -47.9 -51.3 29.0 11.6 -8.6 133 133 A L H >< S+ 0 0 3 -4,-2.2 3,-0.7 1,-0.3 6,-0.5 0.859 100.3 61.5 -55.8 -39.6 30.9 12.1 -5.4 134 134 A A H 3< S+ 0 0 32 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.595 97.0 66.5 -65.8 -7.5 34.0 13.6 -7.1 135 135 A K T << S+ 0 0 147 -3,-1.9 2,-0.4 -4,-0.6 -1,-0.3 -0.323 86.0 95.2-107.8 47.5 31.5 16.3 -8.1 136 136 A S S <> S- 0 0 23 -3,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.966 82.2-117.0-139.5 157.1 30.9 17.6 -4.7 137 137 A R H > S+ 0 0 149 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.891 112.7 61.3 -58.0 -45.0 32.2 20.3 -2.7 138 138 A W H >> S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.941 106.2 44.8 -44.8 -56.5 33.4 17.8 -0.2 139 139 A Y H 34 S+ 0 0 42 -6,-0.5 -1,-0.2 1,-0.2 7,-0.2 0.905 111.4 54.0 -57.1 -45.1 35.7 16.2 -2.7 140 140 A N H 3< S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.738 109.5 46.2 -67.0 -27.3 36.9 19.6 -3.9 141 141 A Q H << S+ 0 0 110 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.805 131.4 18.1 -89.0 -22.4 37.9 20.8 -0.5 142 142 A T S X S+ 0 0 32 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 -0.593 71.6 159.3-142.7 71.2 39.8 17.6 0.6 143 143 A P H > S+ 0 0 51 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.935 70.3 56.4 -63.5 -50.5 40.5 15.6 -2.5 144 144 A N H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.945 117.6 35.3 -44.7 -62.3 43.3 13.5 -1.2 145 145 A R H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 113.5 57.5 -61.2 -44.9 41.2 12.2 1.5 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.907 108.7 48.7 -54.7 -37.1 38.0 12.2 -0.5 147 147 A K H X S+ 0 0 107 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.905 105.9 54.2 -68.0 -43.7 39.7 9.9 -3.0 148 148 A R H X S+ 0 0 65 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.894 114.4 43.9 -60.7 -35.3 41.0 7.6 -0.4 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.854 113.3 47.6 -74.1 -42.7 37.5 7.2 0.8 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.874 111.8 53.7 -67.6 -36.7 35.8 6.9 -2.5 151 151 A T H X S+ 0 0 53 -4,-2.9 4,-2.5 -5,-0.3 6,-0.3 0.960 106.6 49.7 -60.6 -47.2 38.4 4.4 -3.5 152 152 A T H X>S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 5,-0.6 0.899 112.3 49.3 -58.3 -44.9 37.7 2.3 -0.4 153 153 A F H <5S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.923 112.0 45.9 -58.2 -57.1 33.9 2.3 -1.2 154 154 A R H <5S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.981 123.9 35.3 -50.1 -58.4 34.2 1.4 -4.8 155 155 A T H <5S- 0 0 49 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.555 85.2-140.7 -79.0 -16.9 36.6 -1.4 -4.0 156 156 A G T <5S+ 0 0 17 -4,-2.0 2,-0.3 1,-0.2 -62,-0.2 0.760 73.1 105.6 58.4 19.6 35.6 -2.8 -0.8 157 157 A T S + 0 0 56 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 0.165 69.9 119.2 -90.4 17.6 41.9 -0.9 2.0 159 159 A D G > + 0 0 122 1,-0.3 3,-2.7 2,-0.2 -1,-0.2 0.905 68.0 58.7 -46.1 -56.7 44.3 -0.3 -0.9 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.705 105.9 54.7 -49.3 -22.2 44.0 3.5 -0.8 161 161 A Y G < 0 0 16 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.448 360.0 360.0 -99.6 2.6 45.2 3.2 2.7 162 162 A K < 0 0 199 -3,-2.7 -3,-0.1 -4,-0.3 -2,-0.0 -0.069 360.0 360.0-135.4 360.0 48.5 1.3 2.6