==== 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) 05-FEB-88 1L06 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAO-PIN,K.WILSON,T.ALBER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.2 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 . 12 7.3 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 1 1 1 0 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 92 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.9 36.9 -23.5 9.1 2 2 A N > - 0 0 70 95,-0.0 4,-2.7 1,-0.0 3,-0.2 -0.838 360.0 -85.8-141.5 175.9 34.7 -21.0 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.829 124.3 52.1 -55.0 -41.7 34.4 -17.2 11.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 112.6 43.5 -64.8 -42.5 37.0 -17.1 14.2 5 5 A E H > S+ 0 0 88 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.891 113.9 51.8 -70.3 -39.2 39.6 -19.0 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.940 112.7 44.0 -61.7 -51.3 38.9 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.820 108.6 57.4 -66.2 -29.4 39.3 -13.7 10.9 8 8 A R H X S+ 0 0 94 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.880 105.8 50.2 -74.4 -23.9 42.3 -14.7 12.7 9 9 A I H < S+ 0 0 59 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.913 115.8 43.7 -69.1 -45.8 44.0 -15.4 9.4 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.817 125.0 29.3 -74.3 -31.5 43.0 -12.0 8.1 11 11 A E H < S- 0 0 35 -4,-2.2 19,-0.3 -5,-0.2 -1,-0.2 0.743 91.2-153.3-103.0 -31.0 43.8 -9.9 11.1 12 12 A G < - 0 0 18 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.188 24.2 -83.3 81.1-173.4 46.7 -11.8 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.975 43.4 170.5-136.6 121.8 47.6 -11.7 16.6 14 14 A R E -A 28 0A 125 14,-1.2 14,-2.5 -2,-0.4 4,-0.1 -0.996 19.4-165.3-135.9 126.2 49.7 -8.9 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.450 73.3 63.9 -90.9 -2.6 50.1 -8.5 21.9 16 16 A K E S-C 57 0B 122 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.905 100.6 -87.4-122.1 144.2 51.5 -5.0 21.9 17 17 A I E + 0 0 22 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.265 59.5 170.7 -52.1 134.2 49.8 -1.8 20.6 18 18 A Y E -A 26 0A 35 8,-3.0 8,-3.0 -4,-0.1 2,-0.4 -0.848 32.9 -97.8-138.0 173.7 50.4 -1.5 16.9 19 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.880 33.5-123.8-103.8 135.8 49.2 0.6 13.9 20 20 A D > - 0 0 55 4,-2.4 3,-1.9 -2,-0.4 -1,-0.1 0.007 38.0 -98.3 -42.6 166.5 46.4 -0.5 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.799 134.6 55.0 -64.1 -24.9 47.0 -0.7 7.6 22 22 A E T 3 S- 0 0 89 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.451 126.2-104.4 -85.3 -1.0 45.3 2.7 8.1 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.463 75.0 142.5 86.5 9.3 47.8 3.9 10.6 24 24 A Y - 0 0 73 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.595 59.1-103.9 -92.6 149.8 45.4 3.4 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-3.1 11,-0.3 9,-1.3 -0.488 54.0 158.6 -65.9 124.6 46.2 2.2 17.0 26 26 A T E -AB 18 32A 4 -8,-3.0 -8,-3.0 -2,-0.3 2,-0.3 -0.900 20.6-169.3-142.8 160.5 45.1 -1.5 17.4 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.0 -2,-0.3 -12,-0.2 -0.980 52.5 2.0-148.2 162.9 45.8 -4.4 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.2 -2,-0.3 2,-1.0 -0.351 123.0 -4.6 73.0-133.5 45.0 -8.2 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.593 127.9 -54.5 -98.9 70.5 43.1 -9.7 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.804 82.7 160.3 67.0 30.0 42.3 -6.5 14.9 31 31 A H E < -B 27 0A 36 -4,-2.0 -4,-1.8 32,-0.0 -1,-0.2 -0.741 33.1-144.1 -86.2 98.1 40.7 -4.6 17.8 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.393 18.1-175.5 -60.2 126.9 40.8 -0.9 16.9 33 33 A L E - 0 0 16 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.881 59.4 -20.8 -90.8 -48.3 41.5 1.2 19.9 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.3 -0.995 37.7-140.2-156.9 151.7 41.3 4.8 18.7 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.1 -3,-0.0 0.468 75.5 109.4 -93.3 -1.2 41.5 6.8 15.4 36 36 A S S S- 0 0 35 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.500 75.2-126.8 -71.9 142.0 43.4 9.5 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.588 76.1 98.0 -74.4 -8.8 47.1 10.1 16.8 38 38 A S > - 0 0 55 1,-0.2 4,-2.2 -13,-0.0 3,-0.2 -0.702 57.4-155.8 -92.2 130.6 48.2 9.8 20.5 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.698 101.1 60.0 -62.1 -24.6 49.7 6.7 21.8 40 40 A N H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.946 101.2 48.5 -76.5 -40.7 48.5 8.1 25.0 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.931 113.3 51.6 -56.6 -42.0 44.9 8.2 24.0 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.885 106.8 52.0 -63.7 -44.3 45.3 4.6 22.8 43 43 A K H X S+ 0 0 45 -4,-2.1 4,-1.9 1,-0.2 11,-0.2 0.853 109.3 50.3 -60.8 -35.6 46.8 3.5 26.0 44 44 A S H X S+ 0 0 71 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.891 109.6 48.8 -72.1 -41.9 43.9 4.9 27.9 45 45 A E H X S+ 0 0 67 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.932 109.5 55.6 -62.4 -44.0 41.3 3.2 25.7 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.937 108.6 44.4 -54.6 -52.0 43.2 -0.1 26.2 47 47 A D H X>S+ 0 0 36 -4,-1.9 4,-2.0 1,-0.2 5,-0.9 0.848 112.6 53.0 -62.5 -37.3 43.1 0.0 30.0 48 48 A K H <5S+ 0 0 145 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.902 111.1 48.5 -61.7 -42.6 39.4 1.0 29.8 49 49 A A H <5S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 121.2 32.4 -68.3 -34.0 38.8 -2.0 27.5 50 50 A I H <5S- 0 0 37 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.714 100.7-125.0 -98.4 -30.8 40.6 -4.6 29.7 51 51 A G T <5S+ 0 0 67 -4,-2.0 2,-0.3 1,-0.4 -3,-0.2 0.795 77.6 76.2 86.7 27.9 39.9 -3.2 33.1 52 52 A R S - 0 0 4 -2,-0.9 3,-0.9 -11,-0.2 -1,-0.2 0.820 31.8-144.7 -96.5 -32.3 48.2 -2.6 30.8 55 55 A N T 3 S- 0 0 121 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.845 74.4 -56.1 67.7 37.2 51.0 -0.4 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.541 119.7 95.3 75.5 7.9 50.3 -1.1 26.1 57 57 A V B < -C 16 0B 59 -3,-0.9 2,-0.2 -41,-0.2 -41,-0.2 -0.985 47.4-178.4-134.9 140.2 50.6 -4.8 26.4 58 58 A I - 0 0 4 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.817 26.0-108.0-127.5 168.4 48.0 -7.6 26.9 59 59 A T > - 0 0 66 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.422 33.7-107.9 -87.9 167.9 47.9 -11.5 27.3 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 121.9 55.5 -59.2 -45.3 46.7 -14.0 24.7 61 61 A D H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 106.3 47.2 -49.9 -50.9 43.7 -14.5 26.9 62 62 A E H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 110.3 55.3 -68.4 -34.8 42.8 -10.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -34,-0.4 0.883 109.2 45.4 -63.8 -43.1 43.2 -10.8 23.2 64 64 A E H X S+ 0 0 85 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.805 109.0 56.7 -71.2 -30.0 40.7 -13.6 22.6 65 65 A K H X S+ 0 0 120 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.951 109.2 45.0 -63.6 -45.9 38.3 -12.1 25.1 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 111.8 54.7 -62.0 -38.7 38.2 -8.9 23.0 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.926 105.1 51.3 -64.4 -44.1 37.9 -11.0 19.9 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.936 112.0 48.5 -58.8 -42.1 34.9 -12.8 21.2 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.879 111.0 49.9 -61.3 -44.6 33.2 -9.4 22.0 70 70 A D H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.882 111.3 47.0 -64.4 -43.6 34.0 -8.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.942 113.2 49.5 -61.8 -49.7 32.6 -11.0 16.6 72 72 A D H X S+ 0 0 84 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.950 112.4 47.7 -53.2 -49.5 29.4 -11.0 18.8 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.881 109.2 53.6 -65.2 -36.7 29.0 -7.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.952 111.8 44.6 -61.2 -50.1 29.5 -7.6 14.4 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 114.9 48.8 -56.9 -47.8 26.8 -10.3 14.2 76 76 A R H X S+ 0 0 131 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.840 109.7 52.7 -65.2 -34.1 24.4 -8.3 16.4 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.922 108.0 49.0 -69.6 -44.1 25.1 -5.2 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 7,-0.4 0.933 111.7 51.4 -51.8 -49.2 24.2 -7.0 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.766 111.9 46.1 -66.1 -27.4 21.0 -8.3 12.7 80 80 A R H 3< S+ 0 0 182 -4,-1.6 2,-0.6 -5,-0.1 -1,-0.3 0.443 93.7 96.3 -90.7 -9.3 20.0 -4.8 13.9 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.817 100.7 67.8 -86.6 -39.6 22.2 -5.8 6.3 85 85 A K H X S+ 0 0 77 -4,-2.8 4,-2.5 -7,-0.4 5,-0.2 0.862 98.8 50.9 -49.7 -50.0 19.7 -8.1 7.9 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.871 112.3 46.3 -61.7 -38.5 17.9 -9.1 4.7 87 87 A V H > S+ 0 0 4 -4,-0.5 4,-1.0 2,-0.2 3,-0.4 0.964 112.7 50.2 -68.0 -47.5 21.1 -9.9 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.932 110.0 50.2 -52.6 -52.5 22.4 -12.0 5.8 89 89 A D H 3< S+ 0 0 79 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.789 107.9 55.1 -59.5 -30.2 19.2 -13.9 6.1 90 90 A S H 3< S+ 0 0 34 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.664 96.1 86.8 -77.8 -18.8 19.3 -14.7 2.4 91 91 A L S << S- 0 0 6 -3,-1.0 31,-0.0 -4,-1.0 2,-0.0 -0.527 75.0-117.7 -89.8 157.8 22.8 -16.2 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.171 44.2 -92.0 -77.1 170.8 24.2 -19.7 3.2 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.826 122.4 46.6 -63.2 -36.1 26.5 -20.4 6.1 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-1.0 2,-0.2 3,-0.7 0.950 113.8 46.2 -69.7 -50.2 29.8 -19.9 4.3 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.866 104.5 63.6 -63.0 -31.6 28.8 -16.6 2.6 96 96 A R H 3X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.914 99.3 54.8 -57.1 -38.4 27.4 -15.4 5.9 97 97 A C H S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.873 128.8 53.8 -51.5 -50.7 28.1 -1.7 9.7 109 109 A T H > S+ 0 0 119 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.953 106.5 48.4 -55.0 -55.9 28.1 1.7 8.2 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.6 1,-0.2 4,-0.2 0.880 115.2 43.8 -55.5 -47.5 30.8 1.1 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-3.0 1,-0.2 -1,-0.2 0.930 104.3 62.5 -68.7 -38.9 29.3 -2.2 4.4 112 112 A A H 3< S+ 0 0 19 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 95.7 66.6 -59.0 -19.3 25.8 -0.8 4.3 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.5 -3,-0.6 -1,-0.3 0.604 74.8 84.1 -73.8 -15.3 27.2 1.6 1.7 114 114 A F <> + 0 0 41 -3,-3.0 4,-2.2 -4,-0.2 3,-0.4 -0.237 57.4 158.5 -85.0 56.0 27.9 -1.1 -0.8 115 115 A T H > + 0 0 92 -2,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.818 66.6 45.3 -42.1 -56.6 24.3 -0.9 -2.0 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.853 114.0 46.8 -64.1 -43.6 24.7 -2.4 -5.5 117 117 A S H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.849 110.4 54.5 -66.1 -39.2 26.8 -5.4 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.894 107.9 50.1 -58.0 -43.9 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 116 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.942 111.3 48.6 -60.2 -50.3 21.5 -6.2 -4.1 120 120 A M H <>S+ 0 0 27 -4,-2.2 5,-2.4 1,-0.2 4,-0.5 0.891 110.0 50.6 -59.9 -43.1 23.5 -8.6 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.929 108.6 53.2 -63.6 -42.4 24.4 -10.9 -3.4 122 122 A Q H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.892 109.4 48.5 -57.5 -34.9 20.7 -11.0 -2.4 123 123 A Q T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.481 113.6-121.0 -82.4 -6.5 19.8 -12.0 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.5 2,-1.2 -4,-0.5 -3,-0.2 0.781 61.8 147.6 66.5 34.5 22.5 -14.7 -5.9 125 125 A R >< + 0 0 128 -5,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.687 19.4 173.1 -98.0 78.1 24.4 -13.2 -8.8 126 126 A W H > + 0 0 48 -2,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.870 69.9 45.4 -57.1 -48.9 27.8 -14.4 -7.5 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 115.0 48.6 -66.8 -41.2 30.0 -13.5 -10.4 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 110.9 49.5 -63.9 -45.7 28.4 -10.1 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.879 107.9 53.9 -62.3 -38.8 28.7 -9.2 -7.3 130 130 A A H X S+ 0 0 9 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.896 109.6 47.8 -64.0 -42.2 32.4 -10.2 -7.1 131 131 A V H >X S+ 0 0 94 -4,-1.8 3,-0.6 1,-0.2 4,-0.5 0.966 114.7 47.0 -62.2 -46.0 33.2 -7.9 -10.1 132 132 A N H >< S+ 0 0 45 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.862 107.5 55.1 -63.4 -41.0 31.3 -5.0 -8.4 133 133 A L H 3< S+ 0 0 3 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.810 101.1 61.4 -60.7 -31.3 32.9 -5.5 -4.9 134 134 A A H << S+ 0 0 26 -4,-1.0 2,-1.5 -3,-0.6 -1,-0.2 0.683 85.0 78.8 -73.6 -16.6 36.3 -5.2 -6.5 135 135 A K S << S+ 0 0 147 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 -0.520 81.0 94.8 -89.0 64.5 35.5 -1.7 -7.6 136 136 A S S > S- 0 0 21 -2,-1.5 4,-1.9 1,-0.1 3,-0.2 -0.984 85.6-112.8-153.3 157.0 36.2 -0.1 -4.2 137 137 A R H > S+ 0 0 138 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.905 116.2 63.2 -54.7 -43.2 38.7 1.6 -2.0 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.901 105.4 42.5 -49.4 -50.4 38.6 -1.5 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.5 49.2 -69.4 -40.6 39.9 -3.8 -2.7 140 140 A N H < S+ 0 0 113 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 115.8 42.0 -67.0 -34.9 42.5 -1.3 -3.8 141 141 A Q H < S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.809 132.7 19.0 -83.3 -37.2 43.9 -0.7 -0.3 142 142 A T S X S+ 0 0 25 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 -0.507 73.6 161.9-133.4 65.5 43.9 -4.4 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 69.0 51.9 -57.7 -42.7 43.7 -6.4 -2.2 144 144 A N H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.936 116.5 40.4 -64.4 -45.0 44.9 -9.9 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.915 115.2 51.5 -63.7 -49.2 42.4 -9.9 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 -8,-0.2 5,-0.2 0.925 109.5 52.5 -56.0 -43.7 39.6 -8.4 -0.3 147 147 A K H X S+ 0 0 83 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.899 106.5 51.0 -64.9 -31.4 40.3 -11.1 -2.8 148 148 A R H X S+ 0 0 50 -4,-1.4 4,-1.7 2,-0.2 12,-0.2 0.921 114.6 44.5 -65.3 -44.7 40.0 -13.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.943 113.0 51.2 -66.5 -44.4 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 10 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.870 107.8 51.0 -59.3 -44.4 35.5 -12.0 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.0 4,-2.3 -5,-0.2 5,-0.4 0.860 107.3 55.9 -60.0 -39.0 36.3 -15.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.889 110.0 43.6 -61.8 -39.7 34.3 -16.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.0 51.1 -73.0 -38.4 31.2 -14.9 -1.8 154 154 A R H < S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.911 125.2 22.6 -60.4 -46.2 31.8 -16.1 -5.4 155 155 A T H < S- 0 0 50 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.715 83.6-136.5-101.0 -32.3 32.2 -19.8 -4.5 156 156 A G S < S+ 0 0 11 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.692 73.9 98.2 75.4 14.3 30.5 -20.4 -1.3 157 157 A E S S- 0 0 109 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.853 79.7-115.7-129.4 175.7 33.5 -22.5 -0.2 158 158 A W S > S+ 0 0 37 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.179 71.3 116.6 -98.9 16.0 36.6 -22.1 1.9 159 159 A D T >> + 0 0 82 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.697 67.9 63.0 -55.4 -34.2 39.3 -22.5 -0.7 160 160 A A H 3> S+ 0 0 14 -3,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.724 108.9 44.8 -63.1 -22.5 40.8 -19.0 -0.4 161 161 A Y H <4 S+ 0 0 4 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.349 97.8 74.1-102.6 -2.1 41.6 -19.8 3.2 162 162 A K H <4 S+ 0 0 133 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.1 0.676 96.2 49.8 -77.8 -39.6 43.1 -23.4 2.4 163 163 A N H < 0 0 125 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.984 360.0 360.0 -59.2 -62.4 46.1 -22.0 1.0 164 164 A L < 0 0 111 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.1 0.061 360.0 360.0 -59.1 360.0 46.5 -19.8 4.1