==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-08 3CDQ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR B.H.M.MOOERS,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 73.8 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 7.3 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 53 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 148.3 43.3 -1.8 8.9 2 2 A N > - 0 0 71 1,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.855 360.0 -89.2-140.9 175.0 40.3 -0.8 10.9 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.869 123.1 53.0 -57.5 -36.9 38.2 2.4 11.4 4 4 A F H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 112.5 42.6 -66.6 -44.6 40.4 3.7 14.2 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 113.8 53.1 -67.5 -40.2 43.6 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.950 114.3 40.4 -61.1 -49.2 42.0 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.832 109.7 58.9 -70.8 -32.0 40.7 7.9 11.0 8 8 A R H X S+ 0 0 110 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.911 109.3 46.8 -62.5 -35.6 43.9 8.3 12.9 9 9 A I H < S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.8 42.8 -70.8 -43.5 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.797 125.9 32.2 -74.4 -30.4 43.1 11.1 8.1 11 11 A E H < S- 0 0 42 -4,-2.6 19,-0.4 -5,-0.2 -2,-0.2 0.672 90.2-156.1 -99.4 -25.9 42.9 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.126 26.7 -86.0 70.5-176.6 46.3 13.1 12.8 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.992 42.6 171.8-136.6 129.9 46.7 13.7 16.5 14 14 A R E -A 28 0A 133 14,-1.4 14,-2.1 -2,-0.4 4,-0.1 -0.998 19.6-163.4-138.5 131.8 47.2 17.0 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.509 75.4 64.3 -94.5 -5.4 47.2 17.6 22.1 16 16 A K E S-C 57 0B 54 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.864 100.2 -88.6-117.9 148.6 46.8 21.4 21.9 17 17 A I E + 0 0 31 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.321 56.7 170.4 -54.9 134.8 43.8 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-2.8 8,-3.3 -4,-0.1 2,-0.5 -0.901 36.5-104.8-141.2 168.2 44.2 23.8 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.848 35.1-140.4 -96.8 130.8 42.1 25.1 13.8 20 20 A D > - 0 0 46 4,-2.6 3,-1.9 -2,-0.5 -1,-0.1 -0.043 42.5 -76.5 -76.4-170.2 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.780 135.2 48.9 -61.1 -26.4 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.372 123.7-102.0 -92.3 -1.1 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 0.667 75.1 140.4 87.2 17.8 39.2 27.2 10.6 24 24 A Y - 0 0 80 1,-0.1 -4,-2.6 13,-0.0 -1,-0.3 -0.789 60.1-103.6 -99.3 141.2 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 32 9,-0.6 8,-3.0 11,-0.4 9,-1.2 -0.355 54.5 161.0 -61.5 126.0 38.8 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-2.8 6,-0.3 2,-0.3 -0.879 17.6-173.2-143.8 164.9 39.6 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.4 -2,-0.3 -12,-0.2 -0.981 49.8 10.6-156.5 167.0 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.4 -2,-0.3 2,-1.1 -0.379 123.2 -9.3 66.3-135.4 42.8 15.4 19.7 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.704 128.4 -51.0-101.2 76.5 42.0 13.2 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.1 2,-1.0 -19,-0.4 -2,-0.2 0.766 85.1 161.0 66.4 27.3 39.8 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.4 -4,-1.4 1,-0.0 -1,-0.2 -0.700 33.1-142.6 -85.6 103.3 37.5 16.3 17.8 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.390 19.0-175.6 -63.5 130.5 35.6 19.5 16.9 33 33 A L E - 0 0 13 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.866 59.7 -28.6 -93.9 -48.0 35.2 21.8 19.9 34 34 A T E -B 25 0A 27 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.970 35.2-136.3-164.7 157.7 33.1 24.6 18.5 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.640 74.3 109.7 -93.2 -14.8 32.4 26.5 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.266 76.3-128.5 -62.1 140.5 32.5 29.8 17.2 37 37 A P S S+ 0 0 127 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.323 77.6 110.5 -73.8 14.6 35.5 32.0 16.4 38 38 A S > - 0 0 31 1,-0.2 4,-2.6 2,-0.0 5,-0.2 -0.804 51.0-168.1-101.2 114.7 36.1 32.3 20.2 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.815 95.9 57.7 -62.9 -31.2 39.2 30.6 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 106.0 46.0 -65.2 -49.8 37.6 31.3 24.9 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 111.4 54.0 -59.9 -40.4 34.5 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.896 107.3 49.6 -62.0 -41.1 36.6 26.6 22.6 43 43 A K H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 11,-0.2 0.890 109.8 51.0 -66.4 -39.5 38.5 26.3 25.9 44 44 A S H X S+ 0 0 71 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.937 110.2 49.8 -63.2 -42.6 35.3 26.1 27.9 45 45 A E H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.922 109.1 52.9 -60.8 -42.6 34.1 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.954 109.4 47.7 -56.4 -51.0 37.3 21.5 26.1 47 47 A D H X>S+ 0 0 36 -4,-2.4 4,-3.0 1,-0.2 5,-0.9 0.887 111.3 50.5 -56.4 -46.1 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 112.5 48.5 -59.4 -39.2 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.866 120.2 34.1 -71.8 -41.2 34.4 17.6 27.5 50 50 A I H <5S- 0 0 38 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.771 102.2-126.0 -87.4 -33.8 37.3 16.3 29.5 51 51 A G T <5S+ 0 0 67 -4,-3.0 2,-0.3 1,-0.4 -3,-0.2 0.689 76.7 67.2 95.0 20.9 35.9 17.1 32.9 52 52 A R S - 0 0 5 -2,-0.8 3,-1.3 -11,-0.2 -1,-0.2 0.729 31.1-146.9 -92.7 -28.7 42.7 21.9 30.7 55 55 A N T 3 S- 0 0 122 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.822 75.9 -54.8 55.5 37.3 43.9 25.3 29.7 56 56 A G T 3 S+ 0 0 9 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.537 117.8 97.5 81.0 10.2 43.8 24.0 26.1 57 57 A V B < -C 16 0B 74 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.969 45.3-177.7-134.1 147.0 45.9 21.0 26.4 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.916 25.6-108.9-135.7 166.1 45.2 17.4 26.9 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.523 32.5-112.4 -90.4 164.1 46.9 14.1 27.3 60 60 A K H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.830 118.8 53.9 -63.9 -35.7 47.0 11.3 24.7 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 109.5 48.5 -67.1 -37.8 44.8 9.0 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 109.8 51.9 -66.9 -39.4 42.3 11.8 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.908 111.1 48.1 -61.6 -42.2 42.6 12.3 23.1 64 64 A E H X S+ 0 0 77 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.848 107.9 54.7 -70.9 -29.9 41.9 8.6 22.7 65 65 A K H X S+ 0 0 139 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.944 109.9 45.7 -67.4 -46.0 39.0 8.6 25.0 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.908 111.8 55.1 -59.6 -43.2 37.3 11.4 23.0 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.933 106.6 47.9 -57.7 -47.3 38.2 9.5 19.9 68 68 A N H X S+ 0 0 92 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.911 113.8 48.8 -61.5 -39.3 36.4 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.897 111.0 50.4 -66.6 -40.3 33.4 8.4 22.0 70 70 A D H X S+ 0 0 31 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.878 110.7 46.9 -68.0 -38.6 33.4 10.1 18.6 71 71 A V H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.950 112.4 51.5 -67.4 -43.5 33.6 6.8 16.6 72 72 A D H X S+ 0 0 104 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.932 110.1 49.1 -56.0 -48.3 30.8 5.4 18.7 73 73 A A H X S+ 0 0 58 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.882 109.7 51.6 -59.7 -41.4 28.7 8.4 18.1 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.928 112.5 45.0 -63.4 -45.5 29.3 8.3 14.4 75 75 A V H X S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.948 114.9 47.0 -63.6 -48.4 28.2 4.6 14.2 76 76 A R H X S+ 0 0 50 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.914 111.3 53.3 -60.3 -41.2 25.2 5.1 16.4 77 77 A G H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.3 3,-0.3 0.933 108.4 49.1 -58.2 -50.1 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 7,-0.5 0.931 111.5 50.0 -53.6 -47.4 24.4 6.2 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 111.5 47.7 -67.6 -25.1 22.3 3.5 12.6 80 80 A R H 3< S+ 0 0 169 -4,-1.8 2,-0.5 -3,-0.3 -1,-0.3 0.624 93.3 94.4 -86.4 -19.3 19.6 5.9 13.8 81 81 A N S+ 0 0 136 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.856 120.3 39.6 -88.0 -35.5 18.8 7.5 5.0 84 84 A L H >> S+ 0 0 0 1,-0.2 4,-2.6 -7,-0.2 3,-0.6 0.880 101.2 66.8 -83.1 -40.5 22.1 6.2 6.2 85 85 A K H 3X S+ 0 0 85 -4,-2.9 4,-2.8 -7,-0.5 5,-0.2 0.853 98.6 51.8 -51.7 -45.5 21.2 2.9 7.9 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.878 112.7 47.0 -62.8 -34.2 20.1 1.1 4.8 87 87 A V H XX S+ 0 0 2 -3,-0.6 4,-0.9 -4,-0.5 3,-0.6 0.955 112.0 48.0 -71.0 -50.5 23.3 2.0 3.0 88 88 A Y H >< S+ 0 0 52 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.917 109.9 54.0 -54.8 -43.9 25.5 1.0 5.9 89 89 A D H 3< S+ 0 0 93 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.803 108.1 51.0 -62.3 -29.4 23.6 -2.3 6.2 90 90 A S H << S+ 0 0 38 -4,-1.2 -1,-0.2 -3,-0.6 2,-0.2 0.624 94.8 91.5 -82.4 -17.1 24.2 -3.1 2.6 91 91 A L S << S- 0 0 15 -3,-1.0 31,-0.0 -4,-0.9 30,-0.0 -0.562 75.1-118.8 -86.8 149.4 28.0 -2.5 2.6 92 92 A D > - 0 0 54 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.225 43.2 -93.6 -72.3 169.7 30.8 -4.9 3.3 93 93 A A H > S+ 0 0 81 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.839 122.1 47.6 -57.6 -41.4 33.1 -4.3 6.3 94 94 A V H >> S+ 0 0 29 1,-0.2 4,-0.9 62,-0.2 3,-0.9 0.968 113.5 44.9 -67.5 -50.5 35.7 -2.4 4.4 95 95 A R H 3> S+ 0 0 27 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.825 104.5 64.9 -63.3 -30.4 33.4 0.0 2.6 96 96 A S H 3X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.3 -1,-0.3 0.843 96.4 57.6 -60.9 -34.9 31.4 0.6 5.8 97 97 A C H S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 128.7 51.4 -64.4 -35.7 25.2 12.8 9.6 109 109 A T H > S+ 0 0 120 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 108.3 52.7 -70.4 -39.1 23.2 15.6 7.9 110 110 A G H >< S+ 0 0 25 -4,-0.5 3,-0.8 1,-0.2 -2,-0.2 0.971 114.7 41.5 -56.6 -53.8 26.1 16.4 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.3 -2,-0.2 0.893 107.2 58.5 -65.2 -42.4 26.4 12.8 4.5 112 112 A A H 3< S+ 0 0 19 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.728 97.1 67.1 -60.7 -19.5 22.6 12.1 4.2 113 113 A G T << S+ 0 0 55 -4,-1.1 2,-0.6 -3,-0.8 -1,-0.3 0.556 77.5 82.5 -77.5 -8.5 22.6 15.0 1.7 114 114 A F X> + 0 0 40 -3,-2.8 4,-2.7 1,-0.2 3,-0.7 -0.162 58.2 154.0 -86.8 43.2 24.7 12.9 -0.7 115 115 A T H 3> + 0 0 80 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.804 63.5 47.0 -43.7 -52.4 21.6 11.2 -1.9 116 116 A N H 3> S+ 0 0 86 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.903 115.2 47.5 -58.9 -40.9 22.6 10.2 -5.5 117 117 A S H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.928 110.6 51.9 -66.5 -44.0 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 108.4 51.2 -59.0 -44.9 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 119 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.917 110.2 49.5 -61.4 -41.2 21.7 5.4 -4.0 120 120 A M H <>S+ 0 0 20 -4,-2.1 5,-2.3 2,-0.2 4,-0.2 0.860 109.5 50.7 -65.9 -38.2 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.901 107.8 54.4 -64.6 -41.5 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.2 47.4 -60.0 -34.7 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 103 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.454 113.5-120.3 -86.9 0.4 23.1 -0.6 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.4 2,-1.4 -4,-0.2 -3,-0.2 0.749 62.7 146.5 63.1 32.5 26.8 -1.5 -5.8 125 125 A R >< + 0 0 118 -5,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.631 20.5 173.8 -94.4 75.1 27.7 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.885 69.6 46.2 -55.8 -49.4 31.2 1.4 -7.4 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 113.6 48.8 -64.1 -43.1 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 110.4 50.2 -63.7 -39.9 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.902 106.5 57.6 -64.1 -37.9 29.4 6.3 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.915 108.6 44.0 -58.6 -45.2 33.0 7.3 -7.2 131 131 A V H X S+ 0 0 83 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.949 115.5 48.9 -66.2 -45.7 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 47 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.913 107.7 54.2 -62.1 -41.0 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.4 1,-0.2 -1,-0.2 0.839 102.9 58.2 -59.8 -36.3 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 23 -4,-1.4 2,-1.9 -3,-0.4 -1,-0.2 0.670 85.1 81.3 -70.2 -17.8 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 143 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.564 81.0 96.5 -86.7 69.7 31.5 16.2 -7.7 136 136 A S S > S- 0 0 19 -2,-1.9 4,-1.8 1,-0.1 5,-0.2 -0.996 86.4-114.8-155.3 158.6 31.3 17.9 -4.4 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.880 115.0 63.6 -59.4 -38.4 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.916 104.7 43.9 -52.5 -49.8 34.1 17.9 -0.0 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 115.0 48.3 -63.5 -45.1 36.4 16.6 -2.8 140 140 A N H < S+ 0 0 114 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.777 116.8 41.4 -71.3 -25.3 37.5 20.1 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 132.4 20.5 -90.5 -39.0 38.3 21.3 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.516 73.8 161.4-128.3 70.0 40.0 18.1 0.9 143 143 A P H > + 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.810 69.1 51.2 -58.0 -43.2 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.954 115.9 41.4 -67.2 -42.3 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 114.4 51.5 -67.0 -45.9 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -8,-0.2 5,-0.3 0.920 108.4 53.4 -58.6 -40.3 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.892 108.4 49.2 -59.8 -42.6 40.5 10.5 -2.8 148 148 A R H X S+ 0 0 55 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.939 115.0 43.9 -63.8 -45.1 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 114.5 48.0 -66.5 -46.4 37.9 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.903 109.7 53.0 -60.6 -41.8 36.4 7.3 -2.5 151 151 A T H X S+ 0 0 41 -4,-2.5 4,-2.4 -5,-0.3 6,-0.4 0.869 107.5 53.7 -62.7 -33.5 39.1 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.922 109.9 45.6 -67.1 -41.7 38.0 2.8 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 114.7 50.0 -66.7 -40.3 34.4 2.8 -1.6 154 154 A R H < S+ 0 0 108 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.920 124.0 24.0 -66.4 -44.7 35.4 1.9 -5.2 155 155 A T H < S- 0 0 52 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.637 85.0-135.3 -99.3 -20.7 37.6 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.2 -5,-0.3 -62,-0.2 0.696 73.5 103.8 69.0 18.4 36.5 -2.4 -1.1 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.753 79.3-122.2-124.3 173.8 40.2 -2.7 -0.1 158 158 A W S >> S+ 0 0 36 -2,-0.2 3,-2.6 1,-0.2 4,-1.9 0.246 71.1 119.9 -96.6 8.4 42.6 -0.7 2.1 159 159 A D T 34 + 0 0 112 1,-0.3 -1,-0.2 2,-0.2 -7,-0.1 0.808 69.3 58.4 -45.3 -37.6 45.1 0.1 -0.8 160 160 A A T 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.687 115.6 35.1 -70.1 -16.9 44.7 3.8 -0.4 161 161 A Y T X4 S+ 0 0 3 -3,-2.6 3,-0.6 -13,-0.1 -1,-0.2 0.594 95.7 105.9-108.3 -17.8 45.8 3.7 3.2 162 162 A K T 3< S+ 0 0 85 -4,-1.9 -3,-0.0 1,-0.2 0, 0.0 -0.362 84.1 16.0 -65.6 141.2 48.2 1.0 2.7 163 163 A N T 3 0 0 157 1,-0.2 -1,-0.2 -2,-0.0 -4,-0.0 0.924 360.0 360.0 62.6 53.0 51.8 2.1 2.8 164 164 A L < 0 0 160 -3,-0.6 -1,-0.2 0, 0.0 -4,-0.0 -0.764 360.0 360.0-127.1 360.0 51.3 5.5 4.4