==== 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 TOXIN 30-MAR-09 3GUQ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR T.TSURUMURA,H.TSUGE,H.UTSUNOMIYA,D.KISE,T.KUZUHARA,H.FUJIKI, . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 74.5 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 . 21 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 0 0 0 0 0 0 1 0 0 1 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 19 A D 0 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.0 3.0 -0.4 2.2 2 20 A V + 0 0 132 90,-0.0 90,-0.0 2,-0.0 0, 0.0 -0.122 360.0 126.8 48.9-158.9 3.3 2.3 4.9 3 21 A P > - 0 0 23 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.894 29.4-158.0 -92.8 160.5 4.8 4.5 6.3 4 22 A Y G > S+ 0 0 171 1,-0.3 3,-2.2 2,-0.2 -2,-0.0 0.865 91.6 64.0 -58.1 -38.8 3.2 7.9 6.8 5 23 A W G 3 S+ 0 0 53 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.593 93.6 63.5 -64.4 -11.5 6.5 9.8 7.2 6 24 A M G < S+ 0 0 42 -3,-1.5 -1,-0.3 2,-0.1 2,-0.3 0.447 81.0 102.4 -96.5 -5.6 7.5 8.9 3.6 7 25 A L S < S- 0 0 105 -3,-2.2 3,-0.1 -4,-0.2 2,-0.1 -0.570 93.1 -97.1 -72.9 140.0 4.7 10.8 2.1 8 26 A Q + 0 0 191 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.456 55.5 165.3 -48.5 122.5 5.4 14.2 0.6 9 27 A N - 0 0 56 -4,-0.1 2,-1.5 2,-0.1 -1,-0.2 0.600 14.2-172.9-128.9 -32.2 4.5 16.3 3.7 10 28 A R + 0 0 226 -3,-0.1 2,-0.4 2,-0.1 -2,-0.1 0.157 46.5 109.2 72.4 -23.7 6.0 19.7 2.8 11 29 A S S S- 0 0 89 -2,-1.5 -2,-0.1 1,-0.1 -1,-0.0 -0.779 73.8-120.6 -79.5 141.4 5.5 21.6 6.0 12 30 A E + 0 0 147 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.1 0.952 37.5 175.3 -54.5 -90.8 9.0 22.0 7.5 13 31 A Y > - 0 0 153 2,-0.1 3,-1.2 128,-0.1 -2,-0.0 0.933 30.0-156.1 44.3 97.6 10.2 20.7 10.9 14 32 A I T 3 S+ 0 0 28 1,-0.3 34,-0.2 124,-0.2 33,-0.2 0.717 83.1 60.3 -76.6 -26.6 13.7 21.8 10.1 15 33 A T T 3 S+ 0 0 12 123,-0.2 91,-2.8 32,-0.1 2,-0.4 0.375 93.5 79.9 -85.6 0.3 15.4 19.4 12.4 16 34 A Q E < -A 105 0A 60 -3,-1.2 2,-0.3 89,-0.2 89,-0.2 -0.923 60.5-175.0-107.2 139.6 13.9 16.4 10.6 17 35 A G E -A 104 0A 2 87,-2.0 87,-2.3 -2,-0.4 2,-0.4 -0.986 15.9-166.2-134.2 142.8 15.3 15.0 7.4 18 36 A V E +A 103 0A 65 -2,-0.3 2,-0.3 85,-0.2 85,-0.2 -1.000 26.9 143.4-122.2 133.9 14.5 12.3 4.9 19 37 A D E -A 102 0A 37 83,-1.3 83,-2.0 -2,-0.4 2,-0.3 -0.978 27.0-138.6-158.8 166.2 17.0 11.2 2.3 20 38 A S E -A 101 0A 22 -2,-0.3 2,-0.3 81,-0.2 81,-0.2 -0.866 12.9-166.2-136.0 158.6 18.1 8.0 0.5 21 39 A S E -A 100 0A 22 79,-1.9 79,-2.5 -2,-0.3 2,-0.3 -0.801 30.2-121.9-127.0 174.4 20.8 5.9 -0.8 22 40 A H E -A 99 0A 80 -2,-0.3 77,-0.2 77,-0.2 76,-0.1 -0.869 28.2 -92.6-122.0 151.0 20.4 3.0 -3.2 23 41 A I - 0 0 53 75,-2.5 2,-0.3 -2,-0.3 5,-0.1 -0.402 49.0-170.2 -61.4 142.7 21.3 -0.7 -3.1 24 42 A V > - 0 0 76 3,-0.2 3,-1.9 1,-0.1 8,-0.1 -0.974 32.1-109.0-144.6 145.9 24.6 -1.3 -4.6 25 43 A D T 3 S+ 0 0 181 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.868 110.1 51.5 -48.8 -54.3 26.7 -4.4 -5.6 26 44 A G T 3 S+ 0 0 74 -3,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.532 100.4 96.4 -57.5 -5.2 29.4 -4.3 -2.9 27 45 A K < - 0 0 96 -3,-1.9 -3,-0.2 2,-0.0 2,-0.1 -0.828 59.6-146.1-140.1 135.3 27.0 -4.1 0.1 28 46 A K >> - 0 0 114 -2,-0.4 4,-1.2 1,-0.1 3,-1.1 -0.454 42.7-118.1 -63.5 141.5 24.9 -5.3 3.0 29 47 A T H 3> S+ 0 0 63 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.716 113.5 65.0 -58.3 -23.3 21.7 -3.4 3.5 30 48 A E H 3> S+ 0 0 143 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.868 102.3 48.2 -67.2 -37.0 23.0 -2.4 7.0 31 49 A E H <> S+ 0 0 71 -3,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.849 111.8 51.2 -65.4 -35.8 25.7 -0.4 5.3 32 50 A I H X S+ 0 0 2 -4,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.737 106.6 50.5 -81.0 -23.8 23.1 1.2 3.0 33 51 A E H X S+ 0 0 47 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.753 110.0 53.5 -76.2 -28.3 20.8 2.3 5.8 34 52 A K H X S+ 0 0 151 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.939 107.6 49.0 -69.6 -48.2 23.8 3.9 7.3 35 53 A I H X S+ 0 0 46 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.891 115.5 45.6 -55.1 -43.7 24.6 5.7 4.1 36 54 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 66,-0.3 0.893 110.8 50.8 -71.9 -42.8 20.9 6.9 4.1 37 55 A T H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.836 111.6 50.2 -59.0 -35.3 20.8 7.8 7.7 38 56 A K H X S+ 0 0 88 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.875 110.0 47.5 -77.1 -39.7 23.9 9.9 7.2 39 57 A R H X S+ 0 0 118 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.772 110.6 54.6 -66.9 -31.3 22.6 11.7 4.1 40 58 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -21,-0.2 -2,-0.2 0.916 106.8 49.6 -68.9 -48.1 19.4 12.4 6.1 41 59 A T H X S+ 0 0 13 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.882 110.3 51.6 -55.1 -37.4 21.4 14.0 8.9 42 60 A I H X S+ 0 0 38 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.821 104.8 57.5 -70.2 -31.3 23.1 16.1 6.2 43 61 A R H X S+ 0 0 91 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.864 100.6 55.2 -66.0 -38.7 19.7 17.1 5.0 44 62 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.956 110.2 46.9 -56.2 -45.8 18.8 18.5 8.4 45 63 A A H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.3 -2,-0.2 0.867 110.1 52.0 -69.0 -38.5 22.0 20.7 8.2 46 64 A Q H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.852 108.1 53.0 -60.3 -37.6 21.1 21.7 4.6 47 65 A N H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.1 48.4 -64.8 -40.5 17.6 22.6 6.0 48 66 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 -34,-0.2 -2,-0.2 0.982 109.4 50.8 -67.7 -47.7 19.3 24.8 8.6 49 67 A V H X S+ 0 0 7 -4,-3.2 4,-2.3 1,-0.2 3,-0.4 0.918 107.2 54.4 -57.2 -45.4 21.6 26.5 6.1 50 68 A H H X S+ 0 0 104 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.925 108.0 50.5 -51.8 -46.5 18.6 27.3 3.9 51 69 A K H X S+ 0 0 66 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.875 108.5 51.8 -60.8 -33.1 16.9 29.0 6.9 52 70 A L H X S+ 0 0 3 -4,-1.9 4,-2.7 -3,-0.4 5,-0.3 0.890 104.1 57.1 -72.7 -35.2 20.1 31.0 7.6 53 71 A K H X S+ 0 0 50 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.928 106.4 50.2 -56.6 -47.0 20.1 32.1 4.0 54 72 A E H X S+ 0 0 91 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.892 110.8 49.0 -58.3 -41.9 16.6 33.5 4.5 55 73 A A H < S+ 0 0 12 -4,-1.8 3,-0.4 2,-0.2 6,-0.4 0.894 111.0 48.3 -62.1 -45.6 17.7 35.4 7.7 56 74 A Y H < S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.6 49.3 -67.5 -37.1 20.7 36.9 6.1 57 75 A L H < S+ 0 0 136 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.723 89.9 110.5 -70.5 -22.0 18.7 38.1 3.1 58 76 A S S >< S- 0 0 58 -4,-0.8 3,-1.2 -3,-0.4 -3,-0.0 -0.197 79.2-123.7 -62.5 145.5 16.0 39.6 5.4 59 77 A K T 3 S+ 0 0 224 1,-0.3 -1,-0.1 3,-0.0 -4,-0.1 0.724 115.9 56.4 -52.4 -25.6 15.6 43.4 5.6 60 78 A T T 3 S+ 0 0 108 -5,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.707 76.3 131.0 -81.9 -27.5 16.2 42.8 9.3 61 79 A N < - 0 0 41 -3,-1.2 -5,-0.1 -6,-0.4 -6,-0.0 0.048 36.6-169.2 -36.2 130.4 19.6 41.0 9.0 62 80 A R + 0 0 172 64,-0.1 2,-0.2 65,-0.1 -1,-0.1 0.618 50.2 113.9 -96.3 -19.7 22.2 42.3 11.4 63 81 A I - 0 0 10 1,-0.1 4,-0.1 64,-0.1 -2,-0.0 -0.421 44.7-170.6 -60.0 127.2 25.2 40.5 9.9 64 82 A K + 0 0 156 -2,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.835 54.8 90.5 -92.0 -39.4 27.6 43.0 8.3 65 83 A Q S S- 0 0 38 1,-0.1 2,-0.6 59,-0.0 58,-0.0 -0.098 83.4-108.5 -56.8 150.8 29.9 40.5 6.5 66 84 A K - 0 0 155 2,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.789 35.9-172.6 -81.1 123.3 29.4 39.4 2.9 67 85 A I - 0 0 10 -2,-0.6 2,-0.2 -4,-0.1 56,-0.0 -0.988 7.7-155.5-121.8 123.3 28.3 35.8 2.9 68 86 A T > - 0 0 57 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.518 31.5-109.9 -93.8 164.3 28.0 34.1 -0.6 69 87 A N H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 122.9 55.8 -60.6 -38.1 25.9 31.2 -1.4 70 88 A E H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 106.8 49.4 -62.5 -40.9 29.2 29.2 -1.7 71 89 A M H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.919 109.3 51.9 -61.0 -42.4 30.0 30.3 1.8 72 90 A F H >< S+ 0 0 8 -4,-2.5 3,-0.7 2,-0.2 4,-0.5 0.953 108.0 50.0 -61.5 -48.2 26.6 29.2 3.0 73 91 A I H >< S+ 0 0 95 -4,-2.8 3,-1.2 1,-0.3 4,-0.4 0.870 107.1 57.8 -52.1 -38.4 27.0 25.8 1.3 74 92 A Q H >< S+ 0 0 112 -4,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.808 95.4 63.3 -60.1 -35.3 30.4 25.7 3.2 75 93 A M T S+ 0 0 21 -3,-1.2 4,-2.5 -4,-0.5 -1,-0.2 0.892 86.2 50.9 -59.9 -42.9 26.9 22.8 6.0 77 95 A Q H <> S+ 0 0 112 -3,-0.7 4,-3.1 -4,-0.4 5,-0.2 0.971 111.3 44.5 -62.8 -55.8 29.7 20.7 7.3 78 96 A P H > S+ 0 0 13 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.851 112.7 53.1 -58.4 -35.7 30.2 22.5 10.6 79 97 A I H >X S+ 0 0 1 -4,-2.0 3,-0.8 2,-0.2 4,-0.8 0.969 112.6 44.7 -61.2 -50.7 26.4 22.6 11.1 80 98 A Y H >< S+ 0 0 57 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.913 111.2 53.3 -49.5 -54.9 26.3 18.8 10.6 81 99 A D H 3< S+ 0 0 100 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.718 108.7 51.9 -53.8 -28.4 29.3 18.4 12.9 82 100 A S H << S+ 0 0 0 -4,-1.1 28,-2.8 -3,-0.8 -1,-0.3 0.598 81.1 115.7 -87.9 -16.2 27.4 20.3 15.5 83 101 A L E << -B 109 0A 17 -3,-1.3 2,-0.4 -4,-0.8 26,-0.3 -0.307 47.4-165.9 -58.8 129.6 24.3 18.2 15.5 84 102 A M E +B 108 0A 98 24,-2.2 24,-2.1 1,-0.2 23,-0.6 -0.928 57.1 7.4-117.2 145.9 23.6 16.4 18.7 85 103 A N E + 0 0 115 -2,-0.4 22,-2.2 1,-0.2 2,-0.7 0.930 68.7 175.8 60.7 56.8 21.3 13.5 19.5 86 104 A V E -B 106 0A 47 20,-0.3 2,-0.4 -3,-0.2 20,-0.3 -0.869 12.1-160.3 -99.9 117.4 20.0 12.6 16.1 87 105 A D E -B 105 0A 60 18,-2.1 18,-1.1 -2,-0.7 2,-0.7 -0.783 21.1-126.7 -95.4 141.2 17.7 9.6 16.2 88 106 A R E -B 104 0A 134 -2,-0.4 16,-0.3 16,-0.2 3,-0.1 -0.798 28.0-176.0 -83.2 114.3 16.9 7.3 13.3 89 107 A L E - 0 0 85 14,-2.8 2,-0.2 -2,-0.7 15,-0.2 0.446 59.2 -19.7 -92.4 -6.2 13.1 7.4 13.5 90 108 A G E -B 103 0A 17 13,-1.0 13,-2.2 -85,-0.0 2,-0.4 -0.752 49.6-138.9 166.1 149.2 12.5 4.9 10.6 91 109 A I E -B 102 0A 43 -2,-0.2 2,-0.4 11,-0.2 11,-0.2 -0.974 17.0-172.5-122.9 136.9 13.8 3.2 7.5 92 110 A Y E -B 101 0A 53 9,-2.3 9,-3.0 -2,-0.4 2,-0.6 -0.959 7.6-160.8-132.9 124.3 11.9 2.5 4.3 93 111 A I E -B 100 0A 67 -2,-0.4 7,-0.3 7,-0.2 3,-0.1 -0.865 15.4-141.6-102.1 116.1 13.1 0.4 1.3 94 112 A N E >> -B 99 0A 43 5,-3.3 4,-2.0 -2,-0.6 5,-0.9 -0.650 11.3-157.5 -67.2 114.2 11.3 1.0 -2.0 95 113 A P T 45S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.823 90.5 52.5 -66.7 -32.1 11.1 -2.6 -3.4 96 114 A N T 45S+ 0 0 156 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.854 124.3 25.8 -68.2 -36.5 10.7 -1.3 -7.0 97 115 A N T 45S- 0 0 76 2,-0.1 -74,-0.2 -3,-0.1 -1,-0.2 0.588 92.7-129.3 -99.5 -18.7 13.9 0.9 -6.7 98 116 A E T <5 + 0 0 106 -4,-2.0 -75,-2.5 1,-0.2 2,-0.5 0.803 59.8 153.4 49.1 37.6 15.9 -0.9 -4.1 99 117 A E E < -AB 22 94A 30 -5,-0.9 -5,-3.3 -77,-0.2 2,-0.6 -0.826 34.4-154.0 -99.5 125.5 16.0 2.7 -2.7 100 118 A V E -AB 21 93A 0 -79,-2.5 -79,-1.9 -2,-0.5 2,-0.3 -0.892 10.1-167.8-105.9 117.2 16.4 3.0 1.1 101 119 A F E -AB 20 92A 32 -9,-3.0 -9,-2.3 -2,-0.6 2,-0.4 -0.752 2.9-157.3 -98.6 156.3 15.1 6.2 2.8 102 120 A A E -AB 19 91A 0 -83,-2.0 -83,-1.3 -2,-0.3 2,-0.5 -0.988 9.8-151.4-134.7 138.4 15.8 7.3 6.4 103 121 A L E +AB 18 90A 13 -13,-2.2 -14,-2.8 -2,-0.4 -13,-1.0 -0.967 26.1 175.0-104.6 124.1 14.0 9.6 8.7 104 122 A V E -AB 17 88A 0 -87,-2.3 -87,-2.0 -2,-0.5 2,-0.3 -0.845 14.0-164.7-129.9 159.2 16.3 11.3 11.1 105 123 A R E -AB 16 87A 69 -18,-1.1 -18,-2.1 -2,-0.3 2,-0.6 -0.951 13.7-142.5-154.5 119.3 15.6 13.9 13.7 106 124 A A E - B 0 86A 1 -91,-2.8 -20,-0.3 -2,-0.3 -21,-0.2 -0.833 7.6-165.0 -92.4 120.7 18.2 16.1 15.4 107 125 A R E - 0 0 180 -22,-2.2 2,-0.2 -2,-0.6 -22,-0.2 0.820 65.2 -34.8 -75.0 -33.6 17.3 16.7 19.1 108 126 A G E - B 0 84A 18 -24,-2.1 -24,-2.2 -93,-0.1 2,-0.3 -0.848 56.8-118.6-162.1-163.5 19.7 19.6 19.6 109 127 A F E - B 0 83A 31 -26,-0.3 2,-0.7 -2,-0.2 -26,-0.2 -0.981 24.7-111.2-157.4 156.4 23.2 21.0 18.6 110 128 A D > - 0 0 56 -28,-2.8 4,-1.7 -2,-0.3 5,-0.1 -0.769 24.4-164.4 -94.1 112.3 26.4 22.0 20.3 111 129 A K H > S+ 0 0 121 -2,-0.7 4,-3.2 2,-0.2 -1,-0.2 0.844 86.7 50.6 -68.3 -33.9 26.7 25.8 20.1 112 130 A D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 110.3 48.5 -77.0 -39.4 30.4 25.9 21.0 113 131 A A H > S+ 0 0 39 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.873 114.6 47.9 -59.2 -38.5 31.3 23.3 18.3 114 132 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.978 110.4 50.1 -72.1 -47.8 29.2 25.3 15.9 115 133 A S H X S+ 0 0 29 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.883 113.4 48.3 -50.9 -40.0 30.8 28.6 16.9 116 134 A E H X S+ 0 0 107 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.928 110.8 48.0 -71.8 -44.1 34.2 26.9 16.4 117 135 A G H X S+ 0 0 11 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.860 112.6 50.1 -62.5 -36.3 33.5 25.5 13.0 118 136 A L H ><>S+ 0 0 2 -4,-2.4 5,-1.4 1,-0.2 3,-0.9 0.899 108.1 51.2 -73.1 -42.4 32.1 28.8 11.8 119 137 A H H ><5S+ 0 0 67 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.2 0.901 105.3 58.3 -59.9 -40.3 35.1 30.7 13.0 120 138 A K H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.686 101.5 56.1 -62.4 -21.8 37.4 28.2 11.1 121 139 A M T <<5S- 0 0 16 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.196 126.5 -95.7-101.8 17.6 35.6 29.0 7.8 122 140 A S T < 5S+ 0 0 91 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.717 70.4 149.4 84.0 29.2 36.4 32.8 8.1 123 141 A L < - 0 0 7 -5,-1.4 -1,-0.3 1,-0.1 -2,-0.1 -0.805 46.3-114.6 -87.3 128.4 33.3 34.2 9.6 124 142 A D > - 0 0 67 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.085 27.5-110.1 -23.4 152.5 33.4 37.3 11.9 125 143 A N H > S+ 0 0 114 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.896 121.7 54.1 -61.1 -47.0 32.6 37.1 15.4 126 144 A Q H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.977 108.9 47.8 -52.5 -62.9 29.5 39.1 14.7 127 145 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.852 114.4 45.7 -43.8 -47.0 28.3 36.7 11.9 128 146 A V H X S+ 0 0 4 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.907 110.1 53.5 -72.7 -36.5 28.9 33.6 14.1 129 147 A S H X S+ 0 0 80 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.949 116.5 40.1 -58.0 -46.7 27.1 35.1 17.1 130 148 A I H X S+ 0 0 21 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.940 116.9 47.9 -69.9 -44.4 24.1 35.8 14.8 131 149 A L H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.939 114.4 45.9 -64.7 -45.8 24.3 32.5 12.9 132 150 A V H X S+ 0 0 15 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.882 110.5 53.9 -66.3 -37.3 24.6 30.5 16.0 133 151 A A H X S+ 0 0 49 -4,-1.8 4,-2.0 -5,-0.4 -1,-0.3 0.885 107.2 51.8 -65.2 -31.7 21.8 32.5 17.6 134 152 A K H X S+ 0 0 53 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.879 107.5 51.8 -71.0 -36.3 19.5 31.7 14.6 135 153 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.897 106.3 54.0 -65.6 -39.7 20.2 28.0 14.9 136 154 A E H X S+ 0 0 100 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.931 108.1 49.8 -58.0 -46.1 19.3 28.2 18.5 137 155 A E H X S+ 0 0 101 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.920 108.9 54.7 -55.9 -42.4 15.9 29.8 17.5 138 156 A I H < S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 110.4 43.7 -61.1 -40.6 15.5 27.0 15.0 139 157 A F H < S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.8 48.8 -78.1 -37.0 15.9 24.3 17.7 140 158 A K H < 0 0 176 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 360.0 360.0 -67.1 -32.4 13.7 25.9 20.3 141 159 A D < 0 0 135 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.621 360.0 360.0 -63.3 360.0 11.1 26.4 17.5