==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 11-FEB-92 1L97 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.DIXON,L.SHEWCHUK,B.W.MATTHEWS . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 75.6 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 . 24 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 . 4 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 . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 2 1 1 2 4 1 0 0 2 2 0 0 0 0 0 3 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 . 2 0 4 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 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 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 44 0, 0.0 157,-0.1 0, 0.0 161,-0.1 0.000 360.0 360.0 360.0 169.3 13.3 21.8 4.7 2 2 A N > - 0 0 16 185,-0.1 4,-1.2 184,-0.1 3,-0.4 -0.853 360.0 -93.1-166.1 157.1 14.7 18.8 6.5 3 3 A P H > S+ 0 0 10 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.582 118.0 54.6 -59.8 -22.9 16.7 15.9 5.1 4 4 A F H > S+ 0 0 7 180,-0.4 4,-2.1 2,-0.2 3,-0.2 0.922 107.8 48.9 -81.9 -42.6 13.9 13.5 4.3 5 5 A E H > S+ 0 0 60 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.843 106.9 59.8 -66.0 -26.8 12.1 15.9 2.3 6 6 A M H X S+ 0 0 0 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.905 111.7 37.6 -64.0 -40.0 15.4 16.6 0.5 7 7 A L H X>S+ 0 0 2 -4,-1.2 4,-2.3 -3,-0.2 5,-1.6 0.763 104.6 68.4 -88.3 -19.6 15.6 13.0 -0.6 8 8 A R H <5S+ 0 0 89 -4,-2.1 4,-0.3 1,-0.2 5,-0.2 0.915 109.8 37.2 -57.5 -44.1 12.1 12.8 -1.2 9 9 A I H <5S+ 0 0 34 -4,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.860 122.6 42.7 -79.6 -36.0 12.7 15.1 -4.1 10 10 A D H <5S+ 0 0 20 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.933 130.8 16.7 -79.9 -57.2 16.0 13.8 -5.2 11 11 A E T <5S- 0 0 74 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.856 101.2-131.0 -90.3 -32.6 15.6 10.1 -5.0 12 12 A G < - 0 0 26 -5,-1.6 2,-0.4 -4,-0.3 18,-0.3 0.028 20.4 -92.9 96.7 162.6 11.9 9.8 -4.9 13 13 A L - 0 0 57 -5,-0.2 2,-0.4 16,-0.1 16,-0.2 -0.884 31.9-170.3-117.0 144.8 9.9 7.8 -2.5 14 14 A R E -A 28 0A 134 14,-1.6 14,-3.2 -2,-0.4 4,-0.1 -0.971 12.1-179.6-133.4 118.5 8.6 4.2 -3.0 15 15 A L E + 0 0 64 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.366 69.4 60.9 -98.9 5.5 6.2 2.6 -0.7 16 16 A K E S-C 57 0B 143 41,-0.2 41,-0.3 12,-0.1 10,-0.1 -0.997 99.8 -86.3-132.0 132.4 6.0 -0.8 -2.5 17 17 A I E + 0 0 26 39,-3.9 2,-0.3 -2,-0.3 10,-0.2 0.059 57.2 174.6 -35.0 134.4 8.9 -3.3 -3.1 18 18 A Y E -A 26 0A 43 8,-2.5 8,-3.4 -4,-0.1 2,-0.5 -0.954 30.4-119.2-146.2 169.2 10.8 -2.5 -6.3 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.2 -0.841 29.3-142.1-105.9 134.5 13.8 -3.4 -8.4 20 20 A D > - 0 0 56 4,-2.5 3,-1.6 -2,-0.5 -1,-0.0 -0.193 35.4 -84.7 -89.0-166.0 16.5 -1.0 -9.1 21 21 A T T 3 S+ 0 0 144 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.777 134.3 44.1 -59.5 -33.0 18.7 -0.2 -12.1 22 22 A E T 3 S- 0 0 140 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.400 124.7-106.5 -94.2 -0.8 21.0 -3.0 -11.0 23 23 A G S < S+ 0 0 31 -3,-1.6 -2,-0.1 1,-0.3 2,-0.1 0.256 70.7 143.4 96.7 -9.7 18.0 -5.3 -10.3 24 24 A Y - 0 0 63 -5,-0.2 -4,-2.5 1,-0.1 2,-0.3 -0.232 55.7-109.9 -67.6 139.9 18.1 -5.1 -6.5 25 25 A Y E +AB 19 34A 30 9,-1.0 8,-3.3 -6,-0.2 9,-0.6 -0.588 48.7 168.6 -79.1 134.7 15.1 -5.1 -4.4 26 26 A T E -AB 18 32A 4 -8,-3.4 -8,-2.5 -2,-0.3 2,-0.3 -0.873 17.3-172.6-140.0 167.6 14.5 -1.8 -2.8 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.0 -2,-0.3 2,-0.2 -0.976 51.8 0.6-160.7 155.7 12.0 0.2 -1.0 28 28 A G E 4 S-A 14 0A 2 -14,-3.2 -14,-1.6 -2,-0.3 2,-0.7 -0.440 124.8 -7.4 77.4-115.0 11.3 3.8 0.5 29 29 A I T 4 S- 0 0 4 34,-0.3 -1,-0.1 -16,-0.2 -16,-0.1 -0.849 131.5 -47.4-111.7 89.6 14.1 6.2 -0.3 30 30 A G T 4 S+ 0 0 38 -2,-0.7 2,-1.7 -18,-0.3 -2,-0.2 0.715 84.3 160.1 56.4 23.6 16.8 3.9 -1.8 31 31 A H E < -B 27 0A 36 -4,-2.0 -4,-1.4 2,-0.0 -1,-0.2 -0.571 29.1-152.8 -85.1 93.7 16.5 1.4 0.9 32 32 A L E -B 26 0A 67 -2,-1.7 -6,-0.3 -6,-0.3 3,-0.1 -0.426 10.0-168.8 -51.7 131.2 18.0 -1.7 -0.7 33 33 A L E - 0 0 21 -8,-3.3 2,-0.3 1,-0.3 -7,-0.2 0.943 53.6 -28.9 -90.8 -53.6 16.5 -4.7 0.8 34 34 A T E -B 25 0A 28 -9,-0.6 -9,-1.0 2,-0.1 -1,-0.3 -0.976 41.9-128.6-155.3 167.8 18.7 -7.8 -0.4 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.579 72.4 98.7-107.0 -1.5 20.8 -9.0 -3.3 36 36 A S S S- 0 0 51 2,-0.1 -11,-0.2 1,-0.1 5,-0.1 -0.600 82.2-114.2 -86.8 148.3 19.4 -12.3 -4.2 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.743 81.2 109.0 -45.5 -32.6 16.9 -12.8 -7.0 38 38 A S > - 0 0 45 1,-0.2 4,-1.0 2,-0.1 3,-0.2 -0.229 48.6-169.3 -62.6 123.8 14.1 -13.7 -4.6 39 39 A L H >> S+ 0 0 74 1,-0.2 4,-3.1 2,-0.2 3,-1.4 0.936 94.0 65.6 -64.5 -45.3 11.2 -11.5 -3.9 40 40 A N H 3> S+ 0 0 125 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.821 102.7 46.0 -40.7 -45.0 10.4 -14.0 -1.2 41 41 A A H 3> S+ 0 0 27 2,-0.2 4,-1.9 -3,-0.2 -1,-0.3 0.719 112.5 47.8 -75.0 -28.1 13.6 -13.0 0.6 42 42 A A H S+ 0 0 0 -4,-3.9 4,-4.1 2,-0.2 5,-0.5 0.965 106.6 52.4 -59.0 -60.2 11.4 -6.1 4.9 47 47 A D H X>S+ 0 0 49 -4,-2.7 4,-3.3 1,-0.3 5,-1.7 0.897 116.4 44.7 -41.6 -39.5 8.9 -7.5 7.3 48 48 A K H <5S+ 0 0 140 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.870 110.8 50.0 -70.9 -52.5 11.7 -7.9 9.5 49 49 A A H <5S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 123.6 32.9 -56.5 -43.0 13.2 -4.6 8.9 50 50 A I H <5S- 0 0 34 -4,-4.1 -2,-0.2 -5,-0.2 -3,-0.2 0.821 108.1-124.2 -92.8 -30.2 10.0 -3.0 9.6 51 51 A G T << + 0 0 60 -4,-3.3 2,-0.3 -5,-0.5 -3,-0.2 0.756 67.9 45.5 98.3 32.2 8.6 -5.3 12.1 52 52 A R S - 0 0 11 -2,-2.4 3,-0.9 -11,-0.2 -1,-0.2 0.824 36.8-155.3 -74.1 -43.3 3.9 -5.5 5.5 55 55 A N T 3 S- 0 0 118 -3,-0.3 -2,-0.1 1,-0.2 -11,-0.1 0.898 70.1 -45.3 66.4 47.0 3.6 -7.7 2.5 56 56 A G T 3 S+ 0 0 8 -13,-0.3 -39,-3.9 1,-0.1 2,-0.4 0.336 124.7 86.3 84.0 -6.2 5.8 -5.7 0.1 57 57 A V B < -C 16 0B 67 -3,-0.9 2,-0.3 -41,-0.3 -41,-0.2 -0.983 51.1-179.5-135.0 133.3 4.3 -2.3 1.1 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.741 27.0-101.0-122.9 169.4 5.0 0.2 3.9 59 59 A T > - 0 0 58 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.429 32.5-107.6 -86.4 170.6 3.8 3.4 5.2 60 60 A K H > S+ 0 0 85 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.912 122.9 39.0 -61.4 -49.5 5.2 6.9 4.7 61 61 A D H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.774 108.6 61.2 -74.5 -31.2 6.3 7.0 8.3 62 62 A E H > S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.926 108.5 46.8 -65.8 -31.7 7.4 3.5 8.2 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -34,-0.3 0.760 102.2 61.0 -73.4 -30.5 9.7 4.7 5.5 64 64 A E H X S+ 0 0 18 -4,-1.0 4,-3.6 1,-0.2 5,-0.2 0.961 104.2 51.7 -65.6 -35.7 10.9 7.7 7.3 65 65 A K H X S+ 0 0 57 -4,-1.6 4,-2.2 1,-0.3 -1,-0.2 0.874 109.4 47.2 -67.2 -39.5 12.3 5.5 9.9 66 66 A L H X S+ 0 0 4 -4,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.892 112.7 51.0 -65.4 -45.1 14.1 3.3 7.5 67 67 A F H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.3 0.917 109.0 52.6 -55.5 -45.7 15.4 6.5 5.9 68 68 A N H X S+ 0 0 4 -4,-3.6 4,-2.0 1,-0.2 -2,-0.2 0.926 107.4 49.8 -60.0 -47.2 16.5 7.7 9.4 69 69 A Q H X S+ 0 0 65 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.920 111.6 51.4 -63.3 -34.3 18.4 4.5 10.1 70 70 A D H X S+ 0 0 40 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.830 106.6 50.1 -70.7 -34.9 20.1 5.0 6.7 71 71 A V H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.974 110.9 53.1 -62.1 -44.8 21.2 8.5 7.2 72 72 A D H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.3 3,-0.3 0.928 108.9 47.3 -50.3 -55.9 22.6 7.3 10.4 73 73 A A H X S+ 0 0 43 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.862 110.6 52.9 -53.5 -44.3 24.6 4.6 8.7 74 74 A A H X S+ 0 0 14 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.896 108.4 49.6 -59.4 -43.3 25.9 7.0 6.1 75 75 A V H X S+ 0 0 11 -4,-2.6 4,-2.4 -3,-0.3 -1,-0.2 0.938 109.2 54.5 -58.0 -49.8 27.2 9.5 8.8 76 76 A R H X S+ 0 0 118 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.901 109.9 44.6 -57.0 -38.8 28.9 6.6 10.5 77 77 A G H >X S+ 0 0 3 -4,-1.9 3,-1.4 2,-0.2 4,-1.0 0.927 107.4 58.6 -70.0 -45.1 30.7 5.7 7.4 78 78 A I H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 7,-0.4 0.942 105.7 50.1 -45.3 -49.5 31.6 9.2 6.6 79 79 A L H 3< S+ 0 0 65 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.632 108.8 51.7 -64.7 -22.9 33.4 9.5 9.9 80 80 A R H << S+ 0 0 205 -3,-1.4 2,-0.5 -4,-0.8 -1,-0.3 0.419 93.1 93.7 -89.5 -9.2 35.3 6.3 9.3 81 81 A N S+ 0 0 138 2,-0.1 4,-0.6 -5,-0.1 -1,-0.2 0.673 124.1 39.9 -96.9 -27.9 39.0 11.7 3.0 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.2 2,-0.1 5,-0.3 0.847 101.6 70.0 -91.9 -36.2 35.6 12.3 4.1 85 85 A K H X S+ 0 0 78 -4,-2.6 4,-2.4 -7,-0.4 5,-0.3 0.924 101.0 42.8 -47.3 -69.3 36.1 12.7 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.868 115.1 50.9 -43.5 -51.1 37.9 16.1 7.7 87 87 A V H >X S+ 0 0 2 -4,-0.6 3,-1.2 2,-0.2 4,-1.1 0.991 110.1 49.2 -52.7 -62.7 35.5 17.5 5.1 88 88 A Y H >< S+ 0 0 20 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.871 109.4 52.5 -43.8 -44.9 32.4 16.5 7.0 89 89 A D H 3< S+ 0 0 79 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.913 104.6 55.3 -63.5 -36.3 33.8 18.0 10.2 90 90 A S H << S+ 0 0 33 -4,-2.2 2,-0.3 -3,-1.2 -1,-0.2 0.806 93.5 95.0 -64.4 -24.6 34.5 21.3 8.5 91 91 A L S << S- 0 0 2 -4,-1.1 31,-0.1 -3,-0.7 5,-0.0 -0.474 72.6-130.1 -79.6 127.6 30.8 21.5 7.4 92 92 A D >> - 0 0 59 -2,-0.3 4,-1.4 1,-0.1 3,-0.7 -0.239 48.8 -87.1 -61.9 159.9 27.9 23.4 9.3 93 93 A A H 3> S+ 0 0 16 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.764 121.9 48.0 -42.4 -42.6 24.8 21.1 9.8 94 94 A V H 3> S+ 0 0 12 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.882 110.4 48.3 -75.0 -35.6 23.0 21.7 6.5 95 95 A R H <> S+ 0 0 15 -3,-0.7 4,-1.6 2,-0.3 -1,-0.2 0.760 103.4 62.5 -74.8 -19.3 25.8 21.3 4.1 96 96 A R H X S+ 0 0 65 -4,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.895 101.2 56.0 -60.6 -41.9 26.5 18.1 6.0 97 97 A C H X S+ 0 0 13 -4,-0.9 4,-1.6 1,-0.2 -2,-0.3 0.685 103.2 50.7 -56.4 -35.1 23.1 17.4 4.7 98 98 A A H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.802 106.6 55.6 -76.8 -34.3 24.2 18.0 1.1 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.811 107.7 48.4 -68.5 -30.9 27.2 15.6 1.5 100 100 A I H X S+ 0 0 12 -4,-1.1 4,-3.4 2,-0.2 5,-0.3 0.920 107.6 57.4 -75.2 -40.4 24.8 12.8 2.6 101 101 A N H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.915 110.8 41.5 -52.3 -52.4 22.8 13.6 -0.4 102 102 A M H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.904 115.2 49.9 -62.0 -47.2 25.7 13.0 -2.6 103 103 A V H X S+ 0 0 14 -4,-2.0 4,-2.8 1,-0.3 -2,-0.2 0.947 109.2 51.9 -59.2 -45.6 26.9 10.0 -0.8 104 104 A F H < S+ 0 0 49 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.943 115.7 43.0 -57.2 -39.7 23.5 8.6 -0.9 105 105 A Q H < S+ 0 0 49 -4,-1.9 -2,-0.3 -5,-0.3 -1,-0.2 0.723 133.3 11.0 -81.5 -27.5 23.6 9.2 -4.6 106 106 A M H X S- 0 0 61 -4,-2.6 4,-0.7 1,-0.1 -3,-0.2 0.471 101.5-110.2-135.5 4.1 27.0 8.0 -5.5 107 107 A G H X - 0 0 32 -4,-2.8 4,-2.1 -5,-0.4 -3,-0.1 0.074 36.5 -79.2 80.2 153.5 28.6 6.2 -2.7 108 108 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.709 127.2 57.0 -51.6 -39.4 31.4 7.1 -0.5 109 109 A T H 4 S+ 0 0 131 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.979 108.5 44.4 -65.1 -51.5 33.9 6.1 -3.1 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-1.2 1,-0.2 -2,-0.2 0.905 111.7 53.9 -60.5 -43.3 32.6 8.5 -5.7 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.930 103.2 54.1 -57.8 -52.6 32.3 11.3 -3.4 112 112 A A T 3< S+ 0 0 19 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.497 94.5 74.9 -62.1 -4.5 35.9 11.2 -2.1 113 113 A G T < S+ 0 0 56 -3,-1.2 2,-0.9 -4,-0.5 -1,-0.3 0.460 70.5 85.2 -88.2 0.2 37.0 11.4 -5.8 114 114 A F X> + 0 0 38 -3,-1.7 4,-2.7 1,-0.2 3,-0.9 -0.448 59.4 164.8 -98.6 55.1 36.1 15.1 -6.0 115 115 A T H 3> + 0 0 78 -2,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.850 69.7 37.7 -38.9 -59.0 39.6 16.1 -4.6 116 116 A N H 3> S+ 0 0 98 1,-0.2 4,-1.1 -3,-0.2 -1,-0.3 0.694 115.8 54.6 -69.9 -31.4 39.7 19.6 -5.4 117 117 A S H <> S+ 0 0 6 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.741 105.8 50.0 -77.6 -28.7 36.2 20.1 -4.6 118 118 A L H X S+ 0 0 14 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.959 107.3 54.5 -75.4 -38.6 36.4 18.8 -1.3 119 119 A R H X S+ 0 0 144 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.858 107.7 52.9 -53.5 -44.8 39.4 20.9 -0.4 120 120 A M H <>S+ 0 0 35 -4,-1.1 5,-2.6 2,-0.2 4,-0.4 0.883 109.9 45.0 -61.7 -49.8 37.3 23.9 -1.4 121 121 A L H ><5S+ 0 0 6 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5.6 23.8 220 55 B N T 3 S- 0 0 98 1,-0.3 3,-0.1 -3,-0.2 -2,-0.1 0.934 74.1 -52.0 50.0 46.1 8.6 3.7 21.1 221 56 B G T 3 S+ 0 0 7 -13,-0.3 -39,-1.9 1,-0.1 2,-0.3 0.434 119.7 95.4 74.2 6.1 9.3 7.0 19.2 222 57 B V B < +F 181 0D 53 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.884 46.8 179.8-126.6 154.7 5.7 8.3 19.4 223 58 B I - 0 0 5 -43,-1.9 2,-0.1 -2,-0.3 -30,-0.0 -0.932 23.8-104.2-151.0 174.5 3.9 10.7 21.6 224 59 B T > - 0 0 56 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.413 33.8-111.6 -95.4 170.1 0.7 12.5 22.5 225 60 B K H > S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.852 120.4 50.8 -63.3 -38.0 -0.4 16.1 22.0 226 61 B D H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 109.4 51.1 -69.0 -38.1 -0.3 16.6 25.8 227 62 B E H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.924 106.8 51.8 -65.3 -43.7 3.1 15.1 25.9 228 63 B A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -34,-0.4 0.807 110.3 50.0 -61.0 -36.5 4.5 17.4 23.2 229 64 B E H X S+ 0 0 58 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.924 105.6 56.7 -73.4 -42.4 3.2 20.5 25.1 230 65 B K H X S+ 0 0 91 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.940 112.6 40.2 -51.7 -53.9 4.7 19.3 28.3 231 66 B L H >X S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.2 4,-2.0 0.959 110.1 61.0 -59.1 -48.4 8.2 19.2 26.6 232 67 B F H 3X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.915 99.6 54.7 -45.0 -46.8 7.4 22.3 24.9 233 68 B N H 3X S+ 0 0 85 -4,-2.7 4,-1.2 1,-0.3 -1,-0.3 0.692 105.6 53.8 -67.8 -11.9 7.0 24.0 28.2 234 69 B Q H X S+ 0 0 22 -4,-3.0 4,-1.6 1,-0.2 3,-0.5 0.923 110.0 51.5 -51.5 -54.5 14.4 29.8 26.1 240 75 B V H 3X S+ 0 0 27 -4,-3.4 4,-2.5 1,-0.2 3,-0.3 0.921 107.3 55.7 -50.1 -43.4 13.4 32.5 28.7 241 76 B R H 3< S+ 0 0 116 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.853 106.1 49.1 -54.8 -45.4 16.5 31.6 30.7 242 77 B G H << S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.840 111.7 48.0 -66.9 -37.4 18.9 32.2 27.8 243 78 B I H >< S+ 0 0 1 -4,-1.6 3,-3.3 -3,-0.3 7,-0.3 0.963 108.6 55.2 -64.7 -58.4 17.4 35.7 26.8 244 79 B L T 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.612 111.8 44.4 -52.0 -19.5 17.5 36.7 30.5 245 80 B R T 3 S+ 0 0 179 -4,-0.5 2,-0.4 -5,-0.2 -1,-0.3 0.289 95.5 102.3-112.6 12.6 21.3 35.9 30.5 246 81 B N <> - 0 0 23 -3,-3.3 4,-1.5 1,-0.1 -3,-0.0 -0.812 64.7-146.8-103.1 131.4 21.8 37.6 27.2 247 82 B A T 4 S+ 0 0 77 -2,-0.4 -1,-0.1 2,-0.2 -4,-0.0 0.827 96.4 33.0 -61.9 -37.2 23.4 41.0 27.0 248 83 B K T > S+ 0 0 103 2,-0.1 4,-0.9 1,-0.1 -1,-0.1 0.950 126.3 35.8 -84.9 -58.8 21.5 42.2 24.0 249 84 B L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.778 100.8 77.1 -68.4 -30.9 18.2 40.5 24.3 250 85 B K H X S+ 0 0 82 -4,-1.5 4,-1.9 -7,-0.3 -1,-0.2 0.941 97.8 41.2 -48.5 -50.9 18.0 40.8 27.9 251 86 B P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.952 113.5 52.2 -56.7 -63.0 17.0 44.4 28.1 252 87 B V H X S+ 0 0 2 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.836 105.4 57.6 -39.9 -49.6 14.6 44.3 25.2 253 88 B Y H < S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.984 105.8 48.0 -53.3 -55.8 12.8 41.4 26.9 254 89 B D H < S+ 0 0 97 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.7 52.9 -54.4 -33.9 12.1 43.4 30.0 255 90 B S H < S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.929 92.6 89.4 -67.0 -44.0 10.9 46.2 27.8 256 91 B L S < S- 0 0 4 -4,-2.4 2,-0.4 -3,-0.2 5,-0.1 -0.208 79.5-121.0 -61.6 142.1 8.4 44.0 25.9 257 92 B D >> - 0 0 56 1,-0.1 3,-2.7 4,-0.0 4,-0.6 -0.734 40.0 -96.5 -83.8 124.9 4.9 43.6 27.0 258 93 B A H >> S+ 0 0 62 -2,-0.4 3,-1.7 1,-0.3 4,-1.3 0.624 122.4 50.3 -10.1 -65.5 4.0 40.0 27.7 259 94 B V H >> S+ 0 0 41 1,-0.3 4,-1.0 2,-0.2 3,-0.6 0.916 110.8 49.7 -49.9 -46.6 2.3 39.2 24.4 260 95 B R H <> S+ 0 0 32 -3,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.498 100.2 68.2 -69.1 -13.0 5.3 40.6 22.4 261 96 B R H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 3,-0.7 0.996 108.8 43.3 -56.4 -64.8 6.9 37.0 19.6 264 99 B L H 3X S+ 0 0 2 -4,-1.7 4,-2.9 1,-0.3 -2,-0.2 0.874 114.7 50.5 -49.2 -41.6 10.5 37.3 20.5 265 100 B I H 3X S+ 0 0 11 -4,-2.3 4,-2.6 2,-0.2 -1,-0.3 0.890 103.8 58.7 -62.6 -39.8 10.5 33.8 21.8 266 101 B N H S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.871 127.9 42.3 -45.2 -71.5 19.6 33.5 20.6 274 109 B T H 4 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.775 115.9 54.8 -53.1 -38.6 22.8 34.5 18.8 275 110 B G H >< S+ 0 0 35 -4,-0.5 3,-0.8 1,-0.2 -2,-0.2 0.898 111.3 40.4 -69.1 -46.4 20.9 34.5 15.6 276 111 B V H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.770 104.4 65.5 -78.4 -25.5 18.2 36.8 16.6 277 112 B A G >< S+ 0 0 10 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.401 79.2 80.9 -78.9 8.7 20.4 39.3 18.6 278 113 B G G < S+ 0 0 62 -3,-0.8 3,-0.3 1,-0.2 -1,-0.3 0.497 70.8 89.2 -83.0 -2.7 22.2 40.3 15.3 279 114 B F G X> + 0 0 36 -3,-1.3 3,-2.3 1,-0.2 4,-1.2 0.407 52.9 151.0 -69.9 -6.1 19.1 42.4 15.1 280 115 B T H <> + 0 0 90 -3,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.340 68.5 40.9 11.6 -76.5 20.9 45.2 17.0 281 116 B N H 3> S+ 0 0 82 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.771 118.6 43.4 -52.5 -55.1 19.0 48.2 15.4 282 117 B S H <> S+ 0 0 6 -3,-2.3 4,-3.6 2,-0.3 -1,-0.2 0.814 109.7 55.7 -64.4 -45.0 15.5 46.6 15.3 283 118 B L H X S+ 0 0 8 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.912 107.8 55.2 -56.7 -37.2 15.9 45.3 18.8 284 119 B R H >X S+ 0 0 109 -4,-1.7 4,-1.9 -5,-0.3 3,-0.7 0.988 110.5 38.6 -57.2 -69.5 16.7 49.0 19.5 285 120 B M H 3X>S+ 0 0 20 -4,-2.1 5,-3.3 1,-0.3 4,-1.3 0.879 111.9 64.2 -48.4 -37.9 13.4 50.4 18.0 286 121 B L H ><5S+ 0 0 2 -4,-3.6 3,-0.7 1,-0.2 -1,-0.3 0.960 106.5 40.0 -47.7 -55.3 11.9 47.3 19.7 287 122 B Q H <<5S+ 0 0 82 -4,-2.5 -1,-0.2 -3,-0.7 -2,-0.2 0.763 113.5 54.3 -65.5 -30.7 12.9 48.7 23.1 288 123 B Q H 3<5S- 0 0 103 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.545 113.7-123.6 -77.7 -14.9 11.9 52.2 22.1 289 124 B K T <<5 + 0 0 134 -4,-1.3 2,-0.8 -3,-0.7 -3,-0.2 0.887 59.3 153.4 66.7 38.2 8.6 50.7 21.2 290 125 B R >< + 0 0 93 -5,-3.3 4,-2.4 1,-0.2 3,-0.3 -0.426 13.8 168.5 -95.7 52.9 9.0 52.0 17.8 291 126 B W H > + 0 0 51 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.800 66.3 44.3 -32.0 -71.0 6.9 49.3 16.4 292 127 B D H > S+ 0 0 108 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.867 114.2 49.0 -51.8 -49.2 6.3 50.5 12.8 293 128 B E H > S+ 0 0 98 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.906 111.3 51.3 -61.4 -36.5 9.8 51.4 12.2 294 129 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.935 106.7 52.1 -64.9 -49.0 11.1 48.1 13.5 295 130 B A H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.3 -1,-0.2 0.872 106.4 52.8 -51.2 -48.3 8.8 45.9 11.3 296 131 B V H < S+ 0 0 101 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.900 114.0 46.8 -55.0 -37.3 9.9 47.7 8.3 297 132 B N H >X S+ 0 0 53 -4,-1.4 3,-1.3 -5,-0.2 4,-0.9 0.941 110.9 48.6 -70.4 -48.0 13.2 46.8 9.6 298 133 B L H 3< S+ 0 0 3 -4,-2.8 6,-0.3 1,-0.3 -2,-0.2 0.774 102.6 63.2 -65.3 -30.6 12.5 43.1 10.4 299 134 B A T 3< S+ 0 0 34 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.413 95.8 61.6 -78.9 3.2 10.9 42.5 7.0 300 135 B K T <4 S+ 0 0 180 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.923 81.7 94.2 -93.7 -44.9 14.1 43.2 5.4 301 136 B S S < S- 0 0 30 -4,-0.9 4,-0.4 1,-0.1 5,-0.0 0.402 85.1-115.2 -36.0 172.0 16.2 40.5 6.9 302 137 B R S >> S+ 0 0 154 2,-0.2 3,-2.7 1,-0.2 4,-2.6 0.905 114.9 69.4 -80.0 -40.8 16.6 37.1 5.1 303 138 B W H 3> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.802 97.7 55.5 -41.0 -35.3 14.7 35.4 7.9 304 139 B Y H 34 S+ 0 0 53 -6,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.718 115.7 33.0 -71.5 -31.0 11.8 37.4 6.4 305 140 B N H <4 S+ 0 0 125 -3,-2.7 -1,-0.2 -4,-0.4 -2,-0.2 0.459 112.5 65.2 -99.2 -17.7 12.2 36.0 2.9 306 141 B Q H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.898 129.5 0.4 -68.6 -47.8 13.4 32.7 4.4 307 142 B T S X S+ 0 0 40 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.3 -0.790 77.2 170.7-149.4 89.9 10.0 32.1 5.9 308 143 B P H > S+ 0 0 60 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.946 72.2 52.6 -75.8 -59.3 7.6 35.0 5.1 309 144 B N H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.915 117.8 42.1 -42.7 -47.0 4.1 33.9 6.3 310 145 B R H > S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.796 116.4 49.1 -67.0 -40.1 5.7 33.1 9.7 311 146 B A H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.798 106.5 54.7 -74.1 -31.9 7.6 36.2 9.6 312 147 B K H X S+ 0 0 136 -4,-3.2 4,-3.4 1,-0.2 -2,-0.2 0.889 111.5 45.4 -68.8 -40.7 4.6 38.5 8.6 313 148 B R H X S+ 0 0 49 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.852 110.8 51.0 -67.3 -45.2 2.6 37.3 11.6 314 149 B V H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.871 113.1 47.3 -66.8 -35.3 5.4 37.6 14.0 315 150 B I H X S+ 0 0 7 -4,-1.4 4,-3.9 2,-0.2 3,-0.3 0.985 109.7 51.9 -64.9 -63.0 5.9 41.0 12.8 316 151 B T H X S+ 0 0 41 -4,-3.4 4,-2.5 1,-0.2 6,-0.3 0.737 110.3 52.3 -42.1 -22.5 2.1 41.7 13.0 317 152 B T H X S+ 0 0 0 -4,-1.6 4,-4.7 2,-0.3 5,-0.5 0.977 113.2 38.8 -81.2 -55.5 2.4 40.5 16.6 318 153 B F H < S+ 0 0 5 -4,-2.1 -2,-0.2 -3,-0.3 -3,-0.2 0.918 119.2 57.6 -49.4 -43.6 5.2 42.7 17.7 319 154 B R H < S+ 0 0 106 -4,-3.9 -2,-0.3 -5,-0.2 -1,-0.2 0.876 124.4 12.8 -55.5 -57.4 3.3 45.1 15.5 320 155 B T H < S- 0 0 65 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.579 91.9-124.4-104.4 -15.1 -0.1 45.1 17.1 321 156 B G S < S+ 0 0 17 -4,-4.7 2,-0.3 1,-0.2 -3,-0.2 0.856 75.2 110.7 67.7 39.7 0.7 43.4 20.4 322 157 B T S > S- 0 0 47 -5,-0.5 3,-0.8 -6,-0.3 -2,-0.2 -0.988 73.3-136.1-150.4 148.6 -2.0 40.8 19.6 323 158 B W G > S+ 0 0 33 -2,-0.3 3,-3.7 1,-0.3 4,-0.1 0.433 80.2 108.4 -75.1 -11.1 -2.6 37.1 18.7 324 159 B D G >> + 0 0 112 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.613 64.1 65.2 -37.0 -41.6 -5.0 38.4 16.3 325 160 B A G <4 S+ 0 0 22 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.629 106.0 47.5 -62.9 -19.5 -2.6 37.5 13.4 326 161 B Y G <4 S+ 0 0 11 -3,-3.7 3,-0.3 1,-0.1 -1,-0.3 0.312 94.6 82.2-100.5 5.2 -3.3 33.9 14.6 327 162 B K T <4 S+ 0 0 131 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.809 94.8 27.6 -90.7 -29.6 -7.0 34.2 14.8 328 163 B N < 0 0 163 -4,-0.5 -1,-0.2 1,-0.1 -4,-0.0 -0.633 360.0 360.0-128.4 69.5 -8.5 33.7 11.3 329 164 B L 0 0 154 -3,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 0.754 360.0 360.0 -85.2 360.0 -6.0 31.5 9.5