==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 26-APR-12 4EVD . COMPND 2 MOLECULE: NEUTROPHIL-ACTIVATING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR H.YOKOYAMA,O.TSURUTA,N.AKAO,S.FUJII . 143 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 72.0 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A K > 0 0 110 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 130.4 33.6 26.1 8.6 2 3 A T H > + 0 0 0 1,-0.2 4,-2.3 109,-0.2 5,-0.2 0.867 360.0 57.7 -64.9 -39.2 34.4 27.5 12.0 3 4 A F H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 102.9 53.2 -59.7 -42.6 38.0 28.4 10.8 4 5 A E H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.888 111.0 45.0 -64.2 -42.2 36.6 30.6 8.0 5 6 A I H X S+ 0 0 20 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.912 113.3 51.5 -65.8 -43.9 34.4 32.7 10.3 6 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.887 107.8 51.6 -58.6 -43.2 37.2 33.0 12.8 7 8 A K H X S+ 0 0 34 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.866 111.4 46.0 -68.5 -38.0 39.8 34.2 10.3 8 9 A H H X S+ 0 0 37 -4,-1.5 4,-2.1 2,-0.2 68,-0.3 0.854 112.3 51.5 -70.9 -36.7 37.4 37.0 8.9 9 10 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.828 106.2 54.9 -65.2 -35.3 36.6 38.0 12.5 10 11 A Q H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.899 108.9 48.4 -63.3 -41.8 40.3 38.2 13.3 11 12 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.908 111.1 50.1 -62.4 -45.4 40.7 40.6 10.3 12 13 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.884 105.6 57.9 -59.2 -41.4 37.7 42.7 11.5 13 14 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.868 109.6 41.7 -63.0 -39.9 39.2 42.9 15.0 14 15 A I H X S+ 0 0 30 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.858 113.8 52.7 -77.1 -34.3 42.5 44.5 13.9 15 16 A V H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.907 112.4 45.9 -62.9 -42.1 40.7 46.8 11.4 16 17 A L H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.870 105.3 60.1 -69.9 -38.8 38.4 47.9 14.3 17 18 A F H X S+ 0 0 64 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.934 112.8 40.1 -46.9 -50.5 41.4 48.4 16.6 18 19 A M H X S+ 0 0 82 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.933 114.1 51.9 -66.3 -49.9 42.6 50.9 14.0 19 20 A K H X S+ 0 0 12 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.897 109.6 49.2 -55.8 -45.0 39.2 52.5 13.4 20 21 A V H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.828 105.6 57.2 -68.8 -33.1 38.5 53.1 17.1 21 22 A H H X S+ 0 0 24 -4,-1.3 4,-2.7 -5,-0.3 5,-0.3 0.899 104.0 55.1 -58.6 -42.0 42.0 54.7 17.5 22 23 A N H X S+ 0 0 14 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.963 110.6 43.3 -54.3 -53.7 40.9 57.1 14.8 23 24 A F H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.902 112.9 55.3 -57.3 -43.3 37.8 58.0 16.8 24 25 A H H < S+ 0 0 12 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.886 116.1 34.6 -55.7 -47.6 40.0 58.2 20.0 25 26 A W H < S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 123.5 42.0 -78.0 -35.1 42.4 60.7 18.5 26 27 A N H < S+ 0 0 40 -4,-2.5 59,-1.7 -5,-0.3 2,-0.2 0.184 75.1 127.2-112.6 15.1 40.0 62.8 16.4 27 28 A V E < -a 85 0A 1 -4,-0.9 2,-0.3 -3,-0.3 59,-0.2 -0.504 37.9-165.4 -69.1 139.0 36.9 63.3 18.5 28 29 A K E +a 86 0A 94 57,-3.0 59,-0.5 -2,-0.2 3,-0.1 -0.894 35.2 67.2-122.4 155.7 35.7 66.9 19.0 29 30 A G S > S- 0 0 39 -2,-0.3 3,-2.8 57,-0.1 -2,-0.0 -0.271 92.0 -70.9 118.5 159.3 33.2 68.5 21.4 30 31 A T T 3 S+ 0 0 163 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.632 127.4 68.7 -55.6 -11.5 32.7 69.2 25.1 31 32 A D T >> + 0 0 57 1,-0.2 4,-1.9 -3,-0.1 3,-0.6 0.402 66.7 115.0 -84.7 -5.2 32.3 65.5 25.3 32 33 A F H <> S+ 0 0 69 -3,-2.8 4,-3.2 1,-0.2 5,-0.2 0.794 70.9 47.0 -42.2 -57.4 36.0 64.9 24.5 33 34 A F H 3> S+ 0 0 170 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.865 112.5 49.5 -60.7 -42.8 37.2 63.2 27.7 34 35 A N H <> S+ 0 0 85 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.948 117.6 39.6 -58.2 -52.3 34.3 60.7 28.0 35 36 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.893 114.5 52.9 -68.4 -42.3 34.6 59.6 24.4 36 37 A H H X S+ 0 0 54 -4,-3.2 4,-1.2 -5,-0.3 -1,-0.2 0.902 114.8 43.0 -57.8 -44.0 38.5 59.6 24.4 37 38 A K H X S+ 0 0 119 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.915 115.7 48.0 -67.8 -46.3 38.3 57.4 27.6 38 39 A A H X S+ 0 0 23 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.849 110.1 50.9 -66.7 -38.0 35.6 55.1 26.2 39 40 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.814 105.9 57.4 -71.1 -31.3 37.3 54.6 22.8 40 41 A E H X S+ 0 0 64 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.939 108.5 45.3 -60.7 -48.6 40.5 53.6 24.6 41 42 A E H X S+ 0 0 78 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.860 112.3 53.5 -63.0 -36.1 38.7 50.8 26.5 42 43 A I H X S+ 0 0 17 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.910 107.8 47.7 -67.8 -43.9 37.0 49.7 23.3 43 44 A Y H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.825 108.5 55.6 -70.0 -28.6 40.2 49.4 21.3 44 45 A E H X S+ 0 0 82 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.875 106.4 52.0 -65.4 -37.4 41.8 47.4 24.1 45 46 A E H X S+ 0 0 110 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.882 110.2 47.7 -64.8 -39.4 38.8 45.0 23.8 46 47 A F H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.870 108.6 53.9 -70.7 -36.7 39.5 44.7 20.1 47 48 A A H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.909 112.8 44.9 -58.1 -42.7 43.2 44.1 20.7 48 49 A D H X S+ 0 0 79 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.893 112.7 49.7 -68.5 -42.3 42.1 41.3 23.1 49 50 A M H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.882 109.6 53.7 -62.4 -39.2 39.6 39.9 20.7 50 51 A F H X S+ 0 0 58 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.930 111.6 43.6 -59.6 -50.5 42.2 39.9 18.0 51 52 A D H X S+ 0 0 75 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.918 114.7 50.0 -61.3 -46.1 44.7 37.9 20.1 52 53 A D H X S+ 0 0 49 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.872 110.3 48.4 -63.2 -42.7 42.0 35.5 21.3 53 54 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 112.7 49.2 -64.3 -45.4 40.6 34.7 17.8 54 55 A A H X S+ 0 0 13 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.875 112.2 47.2 -61.8 -41.3 44.1 34.1 16.5 55 56 A E H X S+ 0 0 94 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.815 109.6 53.2 -74.7 -29.8 45.0 31.8 19.3 56 57 A R H X S+ 0 0 32 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.895 107.8 52.2 -66.4 -39.5 41.7 29.9 18.9 57 58 A I H <>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 3,-0.3 0.937 110.2 48.2 -58.4 -47.6 42.7 29.5 15.2 58 59 A V H ><5S+ 0 0 82 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.902 108.0 54.2 -58.8 -44.6 46.1 28.1 16.3 59 60 A Q H 3<5S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.8 57.0 -60.9 -29.7 44.4 25.7 18.8 60 61 A L T 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.463 123.0-108.6 -79.8 -2.8 42.3 24.4 15.9 61 62 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.613 82.5 109.5 86.9 15.4 45.5 23.5 14.0 62 63 A H S S- 0 0 62 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.967 72.9-128.7-137.4 152.3 50.0 40.5 8.3 68 69 A L H > S+ 0 0 124 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.819 111.6 63.9 -64.9 -31.2 48.0 43.8 7.9 69 70 A S H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 104.3 43.2 -55.8 -50.2 47.9 42.9 4.2 70 71 A E H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 111.7 56.0 -62.1 -42.2 45.8 39.7 4.9 71 72 A A H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.907 108.1 47.0 -57.0 -45.9 43.7 41.7 7.4 72 73 A I H < S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.887 114.1 48.3 -61.9 -41.7 42.8 44.2 4.7 73 74 A K H < S+ 0 0 177 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 118.6 38.6 -65.5 -39.3 42.0 41.4 2.2 74 75 A L H < S+ 0 0 33 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.640 90.2 107.1 -94.0 -17.2 39.8 39.5 4.6 75 76 A T < - 0 0 28 -4,-1.8 -66,-0.1 -5,-0.2 -67,-0.1 -0.256 46.6-164.8 -70.9 150.6 37.9 42.2 6.5 76 77 A R + 0 0 131 -68,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.295 66.9 98.1-107.0 1.2 34.2 43.0 6.1 77 78 A V S S- 0 0 7 -5,-0.0 2,-0.4 23,-0.0 -2,-0.1 -0.798 73.6-132.5 -94.4 130.0 34.7 46.3 7.9 78 79 A K - 0 0 179 -2,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.686 26.3-119.4 -78.2 131.6 35.1 49.5 5.8 79 80 A E - 0 0 94 -2,-0.4 2,-0.6 1,-0.1 -63,-0.1 -0.491 22.3-123.9 -73.8 141.0 38.0 51.6 7.0 80 81 A E + 0 0 42 -2,-0.2 -1,-0.1 1,-0.1 -58,-0.0 -0.775 27.4 178.7 -92.0 120.0 37.2 55.1 8.1 81 82 A T + 0 0 128 -2,-0.6 -1,-0.1 2,-0.0 -2,-0.0 0.588 49.0 103.6 -97.8 -14.2 39.1 57.8 6.2 82 83 A K - 0 0 135 1,-0.1 -56,-0.1 2,-0.0 3,-0.1 -0.330 53.3-160.9 -65.0 153.6 37.6 60.9 8.0 83 84 A T + 0 0 103 1,-0.1 2,-0.3 -58,-0.0 -1,-0.1 0.017 67.4 59.7-127.9 24.3 39.8 62.6 10.6 84 85 A S + 0 0 66 2,-0.0 2,-0.3 -56,-0.0 -57,-0.2 -0.938 57.1 159.7-158.3 129.0 37.1 64.6 12.6 85 86 A F E -a 27 0A 5 -59,-1.7 -57,-3.0 -2,-0.3 2,-0.3 -0.996 28.6-139.4-150.2 149.7 34.1 63.4 14.5 86 87 A H E >> -a 28 0A 105 -2,-0.3 4,-1.9 -59,-0.2 3,-0.9 -0.712 46.5 -95.1-101.4 164.7 31.6 64.4 17.2 87 88 A S H 3> S+ 0 0 23 -59,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.836 122.8 53.0 -47.9 -43.2 30.4 61.9 19.8 88 89 A K H 3> S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.843 107.5 50.2 -65.6 -37.3 27.2 61.0 17.8 89 90 A D H <> S+ 0 0 77 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.952 113.0 47.5 -61.4 -50.5 29.1 60.2 14.6 90 91 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.915 112.4 47.2 -58.0 -49.7 31.5 57.9 16.6 91 92 A F H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.835 111.3 52.6 -67.1 -32.3 28.8 56.0 18.5 92 93 A K H X S+ 0 0 91 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.940 111.4 45.9 -63.4 -50.2 26.8 55.5 15.3 93 94 A E H X S+ 0 0 48 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.892 113.3 47.8 -61.7 -45.0 29.8 54.0 13.4 94 95 A I H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.898 110.1 54.3 -65.1 -39.2 30.8 51.7 16.3 95 96 A L H X S+ 0 0 7 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.922 106.7 51.3 -56.8 -48.8 27.1 50.6 16.6 96 97 A E H X S+ 0 0 75 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.892 112.9 44.5 -57.9 -44.1 27.0 49.6 12.9 97 98 A D H X S+ 0 0 18 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.844 110.2 55.4 -71.4 -35.4 30.2 47.5 13.2 98 99 A Y H X S+ 0 0 9 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.892 106.1 51.6 -60.0 -43.1 29.0 45.9 16.5 99 100 A K H X S+ 0 0 76 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.885 110.4 49.4 -62.4 -39.2 25.8 44.8 14.7 100 101 A H H X S+ 0 0 39 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.933 113.0 46.2 -61.2 -49.3 28.0 43.2 12.0 101 102 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.890 108.0 57.7 -60.9 -41.6 30.2 41.5 14.6 102 103 A E H X S+ 0 0 22 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.899 107.4 46.2 -57.5 -44.6 27.1 40.3 16.5 103 104 A K H X S+ 0 0 122 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.868 111.7 53.2 -66.3 -35.9 25.7 38.5 13.4 104 105 A E H X S+ 0 0 22 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.899 109.2 47.2 -65.6 -42.4 29.2 37.0 12.8 105 106 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.794 108.1 56.3 -71.8 -28.4 29.4 35.6 16.3 106 107 A K H X S+ 0 0 91 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.938 111.4 43.6 -62.2 -47.6 25.9 34.2 16.0 107 108 A E H X S+ 0 0 89 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.897 111.8 54.0 -60.8 -44.1 27.0 32.3 12.9 108 109 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.938 110.2 47.0 -55.2 -50.0 30.3 31.3 14.7 109 110 A S H X S+ 0 0 14 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.909 116.4 43.6 -59.0 -46.4 28.2 29.8 17.6 110 111 A N H X S+ 0 0 94 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.907 115.4 47.3 -66.6 -45.6 25.9 28.0 15.2 111 112 A T H X S+ 0 0 22 -4,-3.4 4,-1.8 1,-0.2 -109,-0.2 0.921 111.5 49.6 -64.2 -46.8 28.7 26.7 12.9 112 113 A A H <>S+ 0 0 0 -4,-2.6 5,-3.5 -5,-0.3 -1,-0.2 0.832 109.2 53.8 -62.9 -34.5 30.9 25.5 15.7 113 114 A E H ><5S+ 0 0 133 -4,-1.4 3,-1.5 -5,-0.3 -1,-0.2 0.927 106.1 51.5 -64.3 -45.9 28.0 23.6 17.3 114 115 A K H 3<5S+ 0 0 169 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.884 113.1 45.9 -56.1 -40.6 27.3 21.8 14.0 115 116 A E T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.375 117.5-115.3 -85.7 3.4 31.0 20.7 13.9 116 117 A G T < 5 + 0 0 53 -3,-1.5 2,-1.3 1,-0.2 -3,-0.2 0.710 63.8 149.4 71.5 23.0 30.8 19.7 17.6 117 118 A D >< + 0 0 25 -5,-3.5 4,-1.6 1,-0.2 -1,-0.2 -0.687 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112.7 48.1 -61.8 -37.4 24.2 51.1 25.5 138 139 A L H X S+ 0 0 12 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.894 110.5 50.9 -67.6 -42.7 25.3 52.6 22.1 139 140 A Q H X S+ 0 0 88 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.895 107.6 55.2 -58.7 -40.0 21.6 52.7 20.9 140 141 A A H >< S+ 0 0 56 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.848 103.0 55.1 -61.9 -36.7 20.9 54.5 24.2 141 142 A H H 3< S+ 0 0 90 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 110.7 45.8 -60.2 -36.7 23.5 57.1 23.4 142 143 A L H 3< 0 0 49 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.456 360.0 360.0 -92.2 -5.1 21.8 57.8 20.0 143 144 A A << 0 0 130 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.1 0.466 360.0 360.0 -88.7 360.0 18.2 58.0 21.3