==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 26-OCT-89 1L35 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR P.E.PJURA,M.MATSUMURA,J.A.WOZNIAK,B.W.MATTHEWS . 164 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 2 1 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 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.7 37.0 -23.3 9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.7 1,-0.0 5,-0.2 -0.897 360.0 -81.6-152.6 174.6 34.6 -20.9 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.860 125.9 51.1 -55.4 -40.5 34.3 -17.1 11.2 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.959 113.2 42.1 -64.1 -49.8 36.8 -17.1 14.1 5 5 A E H > S+ 0 0 102 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.856 114.8 54.4 -65.6 -34.0 39.5 -19.0 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.955 112.0 40.6 -62.5 -53.1 38.8 -17.0 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.855 111.1 57.4 -67.3 -35.0 39.2 -13.6 10.9 8 8 A R H X S+ 0 0 98 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.875 108.0 50.7 -62.9 -30.8 42.2 -14.8 12.9 9 9 A a H < S+ 0 0 42 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.935 114.0 42.0 -71.1 -44.8 43.8 -15.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.796 123.9 32.7 -71.6 -35.8 43.1 -12.2 8.1 11 11 A E H < S- 0 0 34 -4,-2.2 19,-0.4 1,-0.2 -1,-0.2 0.635 90.8-149.5 -99.8 -22.6 44.0 -10.0 11.0 12 12 A G < - 0 0 21 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.2 -0.258 25.0 -83.9 79.3-176.4 46.8 -11.9 12.7 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.940 43.3 175.1-136.5 116.3 47.5 -11.7 16.5 14 14 A R E -A 28 0A 130 14,-1.9 14,-2.1 -2,-0.4 4,-0.1 -0.988 17.5-166.5-127.1 128.3 49.6 -8.9 18.1 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.520 73.3 59.7 -90.2 -6.3 50.1 -8.6 21.8 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.896 101.3 -84.9-122.0 148.6 51.5 -5.0 21.8 17 17 A I E + 0 0 21 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.263 58.9 172.6 -51.7 137.8 49.8 -1.8 20.4 18 18 A Y E -A 26 0A 26 8,-2.9 8,-3.1 -4,-0.1 2,-0.4 -0.888 34.7-104.6-142.0 172.1 50.3 -1.5 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.853 33.5-139.6-101.9 136.7 49.3 0.5 13.8 20 20 A D > - 0 0 46 4,-2.6 3,-2.2 -2,-0.4 -1,-0.0 -0.185 40.9 -82.2 -81.7-177.2 46.8 -1.0 11.3 21 21 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.832 133.7 50.3 -56.9 -31.3 47.0 -0.7 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.358 123.6-104.2 -85.8 -3.1 45.3 2.8 7.9 23 23 A G S < S+ 0 0 37 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.575 74.7 140.5 88.7 15.0 47.7 3.9 10.5 24 24 A Y - 0 0 79 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.746 60.0-102.2 -97.0 145.1 45.4 3.5 13.4 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.6 11,-0.4 9,-1.3 -0.376 53.6 160.9 -60.0 124.6 46.3 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.9 6,-0.2 2,-0.3 -0.885 19.2-168.0-142.0 163.9 45.1 -1.4 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.7 -2,-0.3 -12,-0.2 -0.957 52.8 0.3-150.9 165.9 45.9 -4.4 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.9 -2,-0.3 2,-0.9 -0.298 122.1 -4.2 61.9-129.6 45.1 -8.2 19.5 29 29 A I T 4 S- 0 0 3 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.680 127.2 -52.5-100.4 74.0 43.1 -9.6 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.771 85.0 160.2 68.2 22.9 42.2 -6.5 14.6 31 31 A H E < -B 27 0A 32 -4,-1.7 -4,-1.4 1,-0.0 -1,-0.2 -0.664 32.9-144.1 -81.6 100.4 40.7 -4.7 17.6 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.413 19.7-178.5 -63.6 128.5 40.7 -1.0 16.7 33 33 A L E - 0 0 15 -8,-2.6 2,-0.3 1,-0.3 -7,-0.2 0.894 59.5 -26.7 -90.6 -51.2 41.5 1.2 19.8 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.977 34.3-138.9-163.2 152.5 41.2 4.8 18.4 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.480 75.1 111.0 -92.3 -5.7 41.6 6.7 15.2 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.304 72.2-131.6 -69.7 148.2 43.3 9.4 17.2 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.573 76.2 102.3 -81.2 -4.9 47.0 10.1 16.7 38 38 A S > - 0 0 50 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.690 56.1-161.0 -87.6 121.9 47.9 10.1 20.3 39 39 A L H > S+ 0 0 69 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.762 98.2 56.9 -63.7 -24.3 49.5 6.8 21.6 40 40 A N H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 102.7 50.7 -72.2 -46.2 48.4 8.0 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.902 111.7 51.5 -53.2 -42.0 44.8 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.872 108.5 48.5 -64.4 -42.7 45.4 4.6 22.6 43 43 A K H X S+ 0 0 50 -4,-2.3 4,-2.8 2,-0.2 11,-0.2 0.910 111.2 52.3 -66.5 -35.6 46.8 3.3 25.9 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 110.4 45.9 -66.2 -44.3 43.8 4.9 27.7 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.929 112.7 52.9 -64.9 -40.7 41.3 3.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.948 109.1 46.9 -59.5 -51.5 43.2 -0.0 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.8 4,-2.3 1,-0.2 5,-1.0 0.873 112.3 51.3 -57.6 -40.5 43.2 0.1 29.7 48 48 A K H <5S+ 0 0 140 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.891 110.5 49.0 -63.3 -38.6 39.5 1.0 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 119.7 36.5 -72.1 -33.1 38.7 -2.0 27.3 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.721 101.2-126.7 -93.9 -25.2 40.6 -4.4 29.4 51 51 A G T <5S+ 0 0 68 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.763 77.7 71.3 85.3 23.6 39.9 -3.1 32.9 52 52 A R S - 0 0 8 -2,-0.8 3,-1.4 -11,-0.2 -1,-0.2 0.741 32.3-143.4 -94.8 -22.5 48.2 -2.5 30.7 55 55 A N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.822 73.4 -59.0 62.8 28.0 51.0 -0.4 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.495 117.8 97.1 82.3 2.9 50.2 -1.2 26.0 57 57 A V B < -C 16 0B 63 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.982 46.9-179.1-129.5 140.1 50.6 -4.9 26.3 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.808 25.1-110.5-127.6 169.2 48.0 -7.6 26.8 59 59 A T > - 0 0 69 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.417 34.8-103.4 -91.4 173.5 48.0 -11.4 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 121.5 51.1 -60.9 -46.7 46.6 -14.0 24.7 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 109.7 50.2 -57.1 -46.2 43.4 -14.6 26.7 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.923 110.4 50.2 -60.6 -45.0 42.8 -10.8 26.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -34,-0.5 0.882 112.4 48.2 -58.3 -43.2 43.3 -10.6 23.0 64 64 A E H X S+ 0 0 75 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.810 107.8 53.8 -68.9 -34.6 40.8 -13.5 22.6 65 65 A K H X S+ 0 0 137 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.961 109.3 47.3 -66.1 -45.7 38.3 -12.0 24.8 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.902 111.9 53.3 -57.7 -39.7 38.2 -8.7 22.8 67 67 A F H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.954 106.3 50.7 -63.4 -47.6 38.0 -10.9 19.7 68 68 A N H X S+ 0 0 86 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.916 112.1 48.2 -57.4 -42.6 35.0 -12.8 21.0 69 69 A Q H X S+ 0 0 91 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 110.5 50.9 -64.3 -40.6 33.2 -9.5 21.8 70 70 A D H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.857 110.4 47.7 -65.5 -38.6 34.0 -8.0 18.4 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.937 113.7 48.6 -67.0 -46.3 32.7 -10.9 16.4 72 72 A D H X S+ 0 0 85 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.928 111.5 49.3 -56.7 -47.2 29.5 -10.9 18.6 73 73 A A H X S+ 0 0 43 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.905 109.5 52.2 -62.7 -39.0 29.1 -7.2 18.1 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.949 110.9 47.7 -63.5 -48.3 29.5 -7.6 14.3 75 75 A V H X S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.953 113.6 46.8 -55.6 -50.4 26.9 -10.2 14.2 76 76 A R H X S+ 0 0 113 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.884 109.6 54.4 -62.7 -37.0 24.5 -8.2 16.3 77 77 A G H X S+ 0 0 5 -4,-2.7 4,-0.7 -5,-0.2 3,-0.3 0.918 108.5 48.5 -62.7 -43.6 25.1 -5.0 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 7,-0.4 0.927 111.4 51.1 -59.5 -45.6 24.2 -7.0 11.0 79 79 A L H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.740 113.1 44.7 -67.9 -21.4 21.0 -8.2 12.7 80 80 A R H 3< S+ 0 0 173 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.2 0.418 93.9 96.5 -95.2 -10.6 20.0 -4.7 13.8 81 81 A N S+ 0 0 142 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.792 120.5 39.8 -89.1 -33.1 20.1 -3.0 5.1 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.6 -6,-0.1 3,-0.3 0.865 101.3 66.9 -85.4 -43.6 22.2 -5.8 6.2 85 85 A K H X S+ 0 0 78 -4,-2.7 4,-2.8 -7,-0.4 5,-0.2 0.893 99.0 50.2 -48.3 -52.1 19.8 -8.2 7.9 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.883 112.4 48.6 -61.2 -34.5 17.9 -9.2 4.8 87 87 A V H >X S+ 0 0 2 -4,-0.5 4,-0.8 -3,-0.3 3,-0.6 0.969 111.8 48.1 -66.6 -52.1 21.1 -9.9 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.929 110.1 52.2 -53.0 -47.7 22.5 -12.0 5.8 89 89 A D H 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.810 107.8 53.6 -61.2 -29.4 19.2 -14.0 6.1 90 90 A S H << S+ 0 0 33 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.639 96.1 89.3 -80.9 -13.8 19.3 -14.8 2.4 91 91 A L S << S- 0 0 6 -3,-1.4 31,-0.0 -4,-0.8 30,-0.0 -0.545 74.5-118.6 -88.3 157.4 22.8 -16.2 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.170 45.1 -92.0 -76.2 172.1 24.2 -19.7 3.1 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.877 122.4 48.1 -61.1 -39.3 26.5 -20.3 6.1 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.4 62,-0.2 3,-0.3 0.957 112.8 47.3 -65.1 -50.6 29.9 -19.7 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.804 105.3 60.0 -62.1 -34.0 28.8 -16.5 2.7 96 96 A R H X S+ 0 0 79 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.915 102.1 54.2 -59.5 -41.9 27.4 -15.2 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.899 105.5 53.9 -56.2 -41.8 30.9 -15.6 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.883 109.5 46.1 -59.0 -45.6 32.2 -13.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.900 110.8 53.0 -67.0 -38.6 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 106.7 54.4 -62.7 -38.4 30.6 -10.8 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.931 108.2 47.5 -59.6 -49.8 34.2 -10.4 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.901 111.3 50.8 -58.6 -44.6 33.6 -7.2 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.876 108.6 52.0 -62.5 -37.4 31.5 -5.7 8.8 104 104 A F H < S+ 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.913 116.1 41.7 -65.7 -39.0 34.3 -6.5 11.3 105 105 A Q H < S+ 0 0 56 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.851 133.5 14.2 -75.5 -43.9 36.8 -4.7 9.1 106 106 A M H X S- 0 0 51 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.431 103.7-113.2-122.2 3.8 35.0 -1.7 8.0 107 107 A G H X - 0 0 31 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.221 34.2 -77.9 76.0 159.6 31.9 -1.4 10.2 108 108 A E H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.878 128.4 51.1 -52.0 -50.7 28.2 -1.7 9.6 109 109 A T H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.933 108.8 50.0 -58.0 -51.9 28.0 1.8 8.1 110 110 A G H < S+ 0 0 33 -4,-0.6 3,-0.4 1,-0.2 -2,-0.2 0.913 114.7 43.4 -53.9 -51.8 30.7 1.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.2 -1,-0.2 0.912 106.6 59.8 -63.8 -43.3 29.3 -2.2 4.4 112 112 A A H 3< S+ 0 0 15 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.786 95.8 66.0 -57.9 -24.8 25.7 -0.9 4.2 113 113 A G T 3< S+ 0 0 56 -4,-1.3 2,-1.3 -3,-0.4 -1,-0.3 0.614 75.3 87.8 -72.0 -11.3 27.1 1.7 1.7 114 114 A F <> + 0 0 40 -3,-2.8 4,-2.3 1,-0.2 3,-0.4 -0.194 56.5 158.2 -84.6 52.6 27.8 -1.1 -0.7 115 115 A T H > + 0 0 89 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.795 65.8 42.3 -40.0 -58.3 24.3 -0.8 -2.0 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.868 115.1 50.0 -65.4 -39.1 24.7 -2.4 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.875 109.6 52.0 -65.2 -41.5 26.9 -5.3 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.873 108.2 51.3 -61.5 -42.6 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.918 110.1 48.7 -64.2 -43.6 21.5 -6.2 -3.9 120 120 A M H <>S+ 0 0 26 -4,-1.9 5,-2.4 2,-0.2 4,-0.3 0.863 109.9 51.3 -65.5 -37.5 23.5 -8.6 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.952 108.7 52.2 -64.7 -45.1 24.3 -10.9 -3.3 122 122 A Q H 3<5S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 109.8 48.6 -56.5 -35.3 20.7 -11.0 -2.3 123 123 A Q T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.472 114.6-120.9 -83.9 -1.0 19.8 -12.0 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.8 2,-1.0 -4,-0.3 -3,-0.2 0.822 61.4 148.2 62.4 36.5 22.5 -14.7 -5.7 125 125 A R >< + 0 0 118 -5,-2.4 4,-2.9 1,-0.2 5,-0.2 -0.720 18.0 172.8-100.5 76.3 24.4 -13.2 -8.7 126 126 A W H > + 0 0 49 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.879 69.7 46.0 -56.0 -49.4 27.8 -14.3 -7.4 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 115.8 46.9 -66.9 -39.9 30.0 -13.4 -10.4 128 128 A E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.889 110.9 50.4 -71.7 -39.8 28.4 -10.0 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.896 107.7 54.8 -61.6 -39.6 28.6 -9.2 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.926 109.6 48.0 -59.3 -42.9 32.4 -10.2 -7.1 131 131 A V H < S+ 0 0 87 -4,-1.7 4,-0.4 1,-0.2 3,-0.3 0.928 114.2 45.2 -66.2 -45.0 33.1 -7.8 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.893 107.9 56.7 -67.4 -40.7 31.2 -4.9 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.830 100.4 60.4 -58.0 -34.1 32.8 -5.5 -4.8 134 134 A A T 3< S+ 0 0 26 -4,-1.2 2,-1.4 -3,-0.3 -1,-0.2 0.601 85.2 80.6 -69.9 -19.1 36.3 -5.1 -6.4 135 135 A K S < S+ 0 0 155 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.603 80.4 95.9 -88.2 66.8 35.4 -1.5 -7.6 136 136 A S S > S- 0 0 19 -2,-1.4 4,-2.0 1,-0.1 5,-0.1 -0.991 86.0-116.5-153.4 158.1 36.1 -0.0 -4.2 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.918 115.1 64.2 -61.6 -40.3 38.7 1.7 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.905 105.7 41.4 -47.1 -52.1 38.5 -1.4 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.0 50.4 -69.6 -38.8 39.8 -3.7 -2.7 140 140 A N H < S+ 0 0 112 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.4 41.5 -67.3 -38.8 42.4 -1.1 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.821 132.8 19.1 -75.8 -41.8 43.8 -0.6 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 -0.542 72.6 162.5-132.5 69.8 43.8 -4.2 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.817 69.8 52.5 -61.3 -38.4 43.7 -6.3 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.907 115.3 40.4 -68.8 -42.2 44.8 -9.7 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 115.2 51.8 -68.3 -45.9 42.3 -9.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.936 108.8 51.7 -57.9 -42.3 39.6 -8.3 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.871 107.7 52.6 -62.9 -35.7 40.3 -11.1 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.944 113.9 42.0 -64.8 -43.0 40.0 -13.7 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.909 113.2 52.0 -69.9 -41.9 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.871 107.7 52.5 -63.1 -39.8 35.4 -11.8 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.1 4,-2.4 -5,-0.2 6,-0.4 0.822 106.1 55.1 -63.2 -35.7 36.3 -15.4 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.901 111.3 43.7 -64.1 -41.9 34.3 -16.6 -0.5 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.5 49.8 -71.4 -35.7 31.2 -14.7 -1.8 154 154 A R H < S+ 0 0 102 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 125.5 22.5 -69.7 -41.9 31.8 -16.0 -5.4 155 155 A T H < S- 0 0 45 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.634 85.0-136.0-102.0 -25.2 32.3 -19.7 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.0 2,-0.2 -5,-0.3 -62,-0.2 0.765 73.3 98.8 68.5 25.5 30.6 -20.3 -1.3 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.810 82.2-116.0-132.5 172.5 33.5 -22.4 -0.1 158 158 A W S > S+ 0 0 63 -2,-0.2 3,-2.1 1,-0.2 -6,-0.1 0.128 70.6 123.7 -98.0 23.4 36.6 -21.8 2.0 159 159 A D G > + 0 0 80 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.782 68.0 59.4 -54.1 -34.4 39.1 -22.3 -0.8 160 160 A A G 3 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.606 101.5 56.6 -71.3 -13.5 40.7 -18.9 -0.3 161 161 A Y G X S+ 0 0 4 -3,-2.1 3,-0.8 1,-0.2 -1,-0.3 0.129 72.0 109.8-108.8 23.2 41.6 -19.8 3.3 162 162 A K T < S+ 0 0 160 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.885 76.2 48.0 -60.4 -53.4 43.6 -23.0 2.5 163 163 A N T 3 0 0 161 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.178 360.0 360.0 -78.1 14.9 47.2 -21.8 3.5 164 164 A a < 0 0 112 -3,-0.8 -155,-0.1 0, 0.0 -3,-0.0 -0.374 360.0 360.0 -58.4 360.0 46.2 -20.3 6.7