==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2RBR . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 10 6.2 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 0 1 1 2 0 0 1 1 1 0 0 0 0 0 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 1 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 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.1 -40.2 38.0 7.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.914 360.0 -80.2-156.5 178.7 -41.0 34.7 5.4 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.838 126.6 51.0 -60.4 -35.3 -39.3 31.3 4.9 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 113.1 43.7 -68.7 -45.9 -37.2 32.5 2.0 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.876 114.4 52.5 -65.7 -35.7 -35.9 35.5 3.9 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.959 113.3 40.8 -64.0 -54.3 -35.4 33.4 7.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.830 109.5 60.6 -66.9 -30.7 -33.3 30.7 5.3 8 8 A R H X S+ 0 0 107 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.915 108.4 44.9 -61.1 -40.9 -31.4 33.4 3.3 9 9 A I H < S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.6 43.8 -63.7 -46.9 -30.2 34.8 6.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.780 125.0 31.1 -73.5 -28.6 -29.4 31.4 8.1 11 11 A E H < S- 0 0 41 -4,-2.6 19,-0.4 1,-0.1 -1,-0.2 0.644 92.7-152.7-104.4 -21.0 -27.6 30.0 5.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.170 22.7 -88.6 73.0-172.6 -26.1 33.0 3.3 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.949 44.8 165.9-142.0 119.5 -25.4 33.4 -0.4 14 14 A R E -A 28 0A 148 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -1.000 22.4-159.6-136.1 133.9 -22.2 32.3 -2.0 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.551 74.0 63.5 -94.1 -9.1 -21.7 31.9 -5.8 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.865 100.9 -85.8-112.0 150.2 -18.6 29.6 -5.8 17 17 A I E + 0 0 31 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.265 59.2 165.6 -52.3 132.0 -18.5 26.1 -4.3 18 18 A Y E -A 26 0A 28 8,-2.6 8,-3.0 -4,-0.1 2,-0.5 -0.902 38.8-100.7-140.5 169.7 -17.7 26.2 -0.6 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.847 34.6-137.5 -98.3 133.4 -17.9 23.8 2.3 20 20 A D > - 0 0 43 4,-2.8 3,-2.0 -2,-0.5 -1,-0.1 0.013 42.4 -78.2 -72.9-172.9 -20.9 24.1 4.7 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.739 134.3 51.2 -64.6 -24.2 -20.7 23.9 8.5 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.399 123.2-104.1 -90.9 1.0 -20.4 20.1 8.3 23 23 A G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.609 75.8 139.3 87.1 13.8 -17.5 20.3 5.7 24 24 A Y - 0 0 76 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.767 61.6-101.2-100.8 137.7 -19.7 19.4 2.7 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.8 9,-0.4 9,-1.3 -0.303 55.3 160.0 -58.8 129.4 -19.5 20.9 -0.7 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.6 6,-0.3 2,-0.3 -0.898 19.4-168.4-146.6 160.0 -22.3 23.4 -1.1 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.4 -2,-0.3 2,-0.2 -0.977 51.8 5.0-149.8 165.7 -23.2 26.4 -3.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.9 -0.427 124.0 -7.1 71.0-130.4 -25.8 29.3 -3.5 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.732 129.4 -51.8-104.8 75.2 -28.2 29.6 -0.5 30 30 A G T 4 S+ 0 0 11 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.807 82.1 164.3 61.7 33.5 -27.2 26.4 1.3 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.8 -20,-0.1 2,-0.3 -0.717 31.0-143.7 -82.6 102.9 -27.6 24.1 -1.7 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.493 18.7-175.7 -66.3 127.3 -25.8 20.9 -0.6 33 33 A L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.876 57.9 -35.7 -90.2 -45.5 -24.1 19.4 -3.6 34 34 A T - 0 0 33 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.963 35.2-127.8-171.1 157.8 -22.7 16.1 -2.1 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.427 75.1 116.8 -93.2 -0.6 -21.2 14.6 1.0 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.396 66.2-141.3 -64.7 138.4 -18.3 13.3 -1.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.509 76.3 101.4 -77.3 -0.7 -14.8 14.7 -0.2 38 38 A S >> - 0 0 56 1,-0.2 4,-1.7 -13,-0.0 3,-0.6 -0.752 61.5-157.4 -89.9 115.0 -14.0 14.9 -4.0 39 39 A L H 3> S+ 0 0 68 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.823 94.5 58.6 -56.0 -34.3 -14.4 18.4 -5.4 40 40 A N H 3> S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 102.9 52.3 -66.4 -35.8 -14.8 16.8 -8.9 41 41 A A H <> S+ 0 0 34 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.902 110.3 48.9 -63.4 -40.3 -17.9 14.9 -7.6 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.897 109.2 52.1 -64.7 -41.4 -19.3 18.2 -6.3 43 43 A K H X S+ 0 0 63 -4,-2.4 4,-2.5 2,-0.2 11,-0.3 0.878 108.6 51.2 -63.1 -39.1 -18.7 19.9 -9.7 44 44 A S H X S+ 0 0 72 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 110.4 48.4 -63.3 -45.1 -20.5 17.1 -11.5 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.896 111.1 51.5 -62.4 -39.8 -23.5 17.5 -9.1 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.945 109.6 48.2 -59.0 -50.8 -23.4 21.2 -9.7 47 47 A D H X>S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 5,-0.8 0.879 112.5 49.5 -60.7 -38.0 -23.4 20.9 -13.5 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.7 49.0 -66.4 -39.5 -26.3 18.4 -13.3 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.8 34.2 -68.6 -36.4 -28.3 20.7 -11.0 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.746 102.7-126.7 -93.2 -28.1 -27.8 23.8 -13.2 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.719 77.9 68.9 86.8 22.7 -27.9 22.1 -16.6 52 52 A R S - 0 0 7 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.627 29.9-141.9 -90.7 -18.4 -20.4 25.7 -14.4 55 55 A N T 3 S- 0 0 136 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.863 74.1 -57.7 52.8 37.9 -16.8 25.3 -13.5 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.593 119.1 99.4 74.3 12.8 -17.8 25.6 -9.8 57 57 A V B < +C 16 0B 71 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.995 44.1 177.0-134.9 136.5 -19.4 29.0 -10.2 58 58 A I - 0 0 5 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.823 27.6-108.2-130.5 170.4 -23.1 30.1 -10.6 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.536 32.3-108.9 -92.9 165.0 -25.1 33.3 -10.9 60 60 A K H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 121.4 53.1 -58.2 -42.6 -27.3 34.9 -8.3 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 109.8 48.5 -59.9 -43.4 -30.4 34.0 -10.4 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 110.5 50.5 -62.7 -43.6 -29.2 30.4 -10.6 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.911 111.2 48.6 -59.4 -43.2 -28.6 30.3 -6.8 64 64 A E H X S+ 0 0 87 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.852 108.0 55.3 -68.3 -32.2 -32.1 31.6 -6.3 65 65 A K H X S+ 0 0 138 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.941 110.0 44.9 -64.0 -48.2 -33.6 29.0 -8.7 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.891 111.1 55.7 -61.1 -39.3 -32.0 26.2 -6.7 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.934 106.9 47.7 -60.6 -48.2 -33.2 27.8 -3.4 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 113.8 48.5 -60.1 -42.5 -36.8 27.9 -4.6 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 112.8 48.2 -60.7 -44.8 -36.6 24.2 -5.6 70 70 A D H X S+ 0 0 36 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.881 112.4 46.6 -66.7 -41.6 -35.0 23.3 -2.3 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.941 114.5 48.7 -64.2 -47.2 -37.5 25.1 -0.1 72 72 A D H X S+ 0 0 85 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.931 111.9 49.0 -54.5 -51.2 -40.4 23.6 -2.2 73 73 A A H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.859 108.1 54.3 -61.5 -37.8 -38.9 20.1 -1.9 74 74 A A H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.935 111.5 44.6 -61.3 -48.2 -38.4 20.5 1.9 75 75 A V H X S+ 0 0 29 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 112.9 50.0 -62.0 -47.3 -42.1 21.3 2.3 76 76 A R H X S+ 0 0 134 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.877 109.3 53.4 -62.7 -34.9 -43.3 18.6 -0.0 77 77 A G H X S+ 0 0 6 -4,-2.2 4,-0.6 -5,-0.2 3,-0.4 0.931 108.4 48.9 -62.1 -47.7 -41.1 16.1 1.9 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.4 1,-0.2 7,-0.4 0.929 109.5 53.1 -54.7 -47.4 -42.7 17.2 5.2 79 79 A L H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 109.7 47.4 -65.8 -26.2 -46.2 16.7 3.7 80 80 A R H 3< S+ 0 0 174 -4,-1.4 2,-0.6 -3,-0.4 -1,-0.3 0.449 91.8 95.8 -93.0 0.2 -45.4 13.2 2.5 81 81 A N S+ 0 0 71 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.848 120.2 39.4 -82.0 -39.9 -44.8 11.6 11.4 84 84 A L H > S+ 0 0 8 -6,-0.2 4,-2.9 2,-0.1 3,-0.3 0.870 101.8 68.4 -82.1 -38.8 -44.1 15.2 10.3 85 85 A K H X S+ 0 0 87 -4,-3.0 4,-3.0 -7,-0.4 5,-0.2 0.894 99.4 47.0 -53.7 -51.5 -47.3 16.0 8.4 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.886 116.0 46.3 -61.2 -34.5 -49.8 16.0 11.4 87 87 A V H X S+ 0 0 9 -4,-0.6 4,-0.8 -3,-0.3 3,-0.4 0.943 113.3 48.8 -70.0 -46.6 -47.4 18.1 13.4 88 88 A Y H >< S+ 0 0 28 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.933 111.1 49.7 -55.7 -47.8 -46.8 20.5 10.6 89 89 A D H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.775 105.2 59.2 -66.6 -23.5 -50.5 20.9 9.9 90 90 A S H 3< S+ 0 0 34 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.672 95.0 86.2 -75.1 -19.5 -51.1 21.6 13.6 91 91 A L S << S- 0 0 8 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.448 79.0-115.9 -85.8 155.5 -48.8 24.6 13.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.374 43.3 -95.4 -74.5 166.6 -49.4 28.3 12.7 93 93 A A H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.814 121.7 50.7 -59.3 -37.1 -47.6 29.7 9.6 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.957 112.3 45.4 -69.7 -48.3 -44.6 31.2 11.5 95 95 A R H 3> S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.844 105.5 62.7 -63.6 -31.5 -43.8 28.0 13.4 96 96 A R H 3X S+ 0 0 78 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.884 99.8 55.3 -56.2 -38.1 -44.2 26.1 10.1 97 97 A C H S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.837 115.9 57.7 -66.7 -41.3 -36.5 14.8 6.8 109 109 A T H 4 S+ 0 0 129 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.890 111.8 41.8 -61.2 -42.4 -35.4 11.3 8.0 110 110 A G H >4 S+ 0 0 34 -4,-0.3 3,-1.3 2,-0.2 4,-0.3 0.945 115.6 48.4 -69.4 -50.0 -33.5 12.6 11.0 111 111 A V H >< S+ 0 0 8 -4,-1.8 3,-2.0 1,-0.3 -2,-0.2 0.875 103.7 60.8 -59.3 -41.1 -36.1 15.3 12.0 112 112 A A T 3< S+ 0 0 16 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 100.4 59.2 -59.1 -19.7 -39.0 12.7 11.7 113 113 A G T < S+ 0 0 48 -3,-1.3 2,-2.6 -4,-0.4 -1,-0.3 0.530 72.8 96.6 -87.5 -9.2 -37.1 10.9 14.5 114 114 A F <> + 0 0 78 -3,-2.0 4,-2.5 -4,-0.3 3,-0.3 -0.307 52.0 163.3 -79.0 59.8 -37.2 13.8 17.0 115 115 A T H > + 0 0 89 -2,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.803 64.3 46.9 -51.0 -45.9 -40.3 12.1 18.5 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 113.4 47.9 -72.2 -39.0 -40.5 13.9 21.9 117 117 A S H > S+ 0 0 10 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 51.8 -62.7 -44.1 -40.0 17.4 20.4 118 118 A L H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.906 109.1 49.8 -58.7 -44.3 -42.6 16.7 17.8 119 119 A R H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.919 111.0 48.7 -62.1 -45.7 -45.1 15.6 20.4 120 120 A M H <>S+ 0 0 25 -4,-2.1 5,-2.5 2,-0.2 4,-0.4 0.881 111.4 50.7 -64.0 -37.4 -44.5 18.7 22.5 121 121 A L H ><5S+ 0 0 7 -4,-2.3 3,-1.2 2,-0.2 -2,-0.2 0.938 110.5 47.9 -65.1 -46.2 -44.9 20.9 19.4 122 122 A Q H 3<5S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 111.8 50.9 -63.5 -34.5 -48.2 19.2 18.5 123 123 A Q T 3<5S- 0 0 82 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.559 111.2-126.4 -74.8 -10.4 -49.4 19.7 22.1 124 124 A K T < 5 + 0 0 95 -3,-1.2 2,-1.4 -4,-0.4 -3,-0.2 0.822 58.6 149.2 63.4 34.2 -48.4 23.4 21.9 125 125 A R >< + 0 0 122 -5,-2.5 4,-2.7 1,-0.2 -1,-0.2 -0.695 21.4 175.3 -92.4 77.9 -46.2 23.1 25.0 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.853 67.5 44.6 -67.0 -43.0 -43.9 25.7 23.6 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 116.4 48.4 -69.3 -39.5 -41.4 26.3 26.4 128 128 A E H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 111.5 49.5 -61.8 -44.1 -41.0 22.5 26.9 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.922 109.7 52.4 -61.4 -43.7 -40.6 22.0 23.2 130 130 A A H X S+ 0 0 13 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.909 109.6 48.3 -60.4 -43.7 -37.9 24.7 23.1 131 131 A V H >X S+ 0 0 87 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.940 113.5 48.2 -60.6 -44.6 -36.0 23.1 26.0 132 132 A N H >< S+ 0 0 37 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.869 105.1 58.3 -64.5 -37.5 -36.2 19.7 24.2 133 133 A L H 3< S+ 0 0 6 -4,-2.6 6,-0.4 1,-0.3 -1,-0.2 0.812 102.1 55.2 -63.4 -29.9 -35.0 21.1 20.9 134 134 A A H << S+ 0 0 29 -4,-1.2 2,-1.9 -3,-0.5 -1,-0.3 0.619 85.1 83.9 -81.1 -14.5 -31.8 22.4 22.5 135 135 A K S << S+ 0 0 160 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.505 81.8 98.1 -83.9 68.4 -30.9 19.0 23.8 136 136 A S S > S- 0 0 31 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.998 85.2-119.1-156.9 150.4 -29.4 18.1 20.4 137 137 A R H > S+ 0 0 140 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.919 115.5 61.1 -52.7 -44.8 -26.3 17.8 18.3 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.915 105.6 43.6 -50.2 -52.7 -28.0 20.4 16.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.926 115.1 49.3 -62.9 -44.2 -28.0 23.0 18.8 140 140 A N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 115.9 41.4 -64.5 -35.9 -24.5 22.2 19.9 141 141 A Q H < S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 132.4 21.3 -85.2 -33.2 -23.0 22.4 16.4 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 -0.556 73.7 156.7-129.3 67.8 -25.0 25.4 15.2 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.862 69.7 53.8 -67.3 -36.6 -26.1 27.3 18.3 144 144 A N H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.950 117.3 38.8 -62.1 -47.4 -26.6 30.8 17.0 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 114.8 53.1 -66.6 -45.2 -28.9 29.5 14.2 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.899 105.8 54.7 -60.1 -39.1 -30.6 26.9 16.5 147 147 A K H X S+ 0 0 106 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.904 109.9 47.1 -60.1 -41.3 -31.4 29.7 19.0 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.8 2,-0.2 12,-0.2 0.931 114.4 45.6 -64.2 -46.7 -33.1 31.7 16.3 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 113.8 49.5 -65.1 -43.3 -35.1 28.7 15.1 150 150 A I H X S+ 0 0 15 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.909 108.1 52.8 -62.2 -43.6 -36.0 27.6 18.6 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.890 109.1 51.4 -58.6 -37.5 -37.2 31.2 19.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.939 112.5 44.5 -65.7 -46.8 -39.4 31.0 16.4 153 153 A F H < S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.1 48.8 -59.4 -40.1 -40.8 27.6 17.5 154 154 A R H < S+ 0 0 107 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.895 126.4 21.1 -69.2 -42.0 -41.3 29.0 21.1 155 155 A T H < S- 0 0 35 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.662 83.6-133.6-106.3 -23.8 -43.0 32.3 20.3 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.774 74.5 107.7 65.9 23.9 -44.6 32.0 16.8 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.824 78.7-124.1-122.8 169.1 -43.0 35.4 16.1 158 158 A W >> + 0 0 57 -2,-0.3 3,-2.3 1,-0.2 4,-1.0 0.103 68.8 124.0 -96.6 21.8 -40.1 36.6 14.0 159 159 A D T 34 + 0 0 126 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.806 69.3 56.0 -55.8 -33.1 -38.3 38.3 16.9 160 160 A A T 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.597 111.1 44.3 -76.4 -10.3 -35.1 36.3 16.4 161 161 A Y T <4 0 0 3 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.470 360.0 360.0-114.6 -7.3 -34.8 37.5 12.7 162 162 A K < 0 0 209 -4,-1.0 -3,-0.1 -3,-0.4 -2,-0.1 0.381 360.0 360.0 34.4 360.0 -35.6 41.3 13.1