==== 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 INHIBITOR 29-MAR-06 2CJ7 . COMPND 2 MOLECULE: INVERTASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR M.HOTHORN,K.SCHEFFZEK . 144 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 82.6 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 1 1 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 1 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 . 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 . 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 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 4 A N 0 0 191 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.4 1.6 43.0 37.8 2 5 A N > + 0 0 90 1,-0.1 4,-2.9 2,-0.1 5,-0.3 -0.107 360.0 129.2-127.7 28.2 0.8 39.3 37.2 3 6 A L H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 75.2 52.6 -55.9 -39.6 1.8 38.9 33.5 4 7 A V H > S+ 0 0 17 23,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.972 112.2 46.4 -61.7 -46.7 4.0 35.8 34.3 5 8 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.934 115.7 42.2 -62.3 -51.0 1.1 34.1 36.1 6 9 A T H X S+ 0 0 54 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.889 112.8 54.2 -67.1 -37.0 -1.6 34.8 33.5 7 10 A T H >< S+ 0 0 2 -4,-2.4 3,-0.7 -5,-0.3 -2,-0.2 0.946 110.3 47.8 -53.6 -51.3 0.8 33.9 30.7 8 11 A C H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 5,-0.3 0.821 102.6 61.1 -62.7 -35.3 1.4 30.6 32.4 9 12 A K H 3< S+ 0 0 128 -4,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.838 98.7 60.5 -59.7 -30.2 -2.3 29.9 32.9 10 13 A N T << S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.1 -0.174 97.0 79.5 -92.0 34.2 -2.6 30.0 29.1 11 14 A T S < S- 0 0 19 -3,-1.2 3,-0.3 -2,-0.3 125,-0.1 -0.886 91.0-108.7-130.9 166.1 -0.2 27.1 28.7 12 15 A P S S+ 0 0 94 0, 0.0 2,-0.1 0, 0.0 124,-0.1 0.446 111.4 37.1 -72.7 -3.8 -0.5 23.3 29.0 13 16 A N > + 0 0 54 -5,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.582 63.3 179.5-153.1 84.5 1.5 23.3 32.2 14 17 A Y H > S+ 0 0 57 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.888 82.4 45.2 -54.4 -51.2 1.0 26.1 34.6 15 18 A Q H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.890 114.5 47.8 -68.5 -38.9 3.4 25.1 37.4 16 19 A L H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 114.1 47.7 -64.4 -44.9 6.2 24.2 35.0 17 20 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.946 112.8 49.7 -58.0 -46.4 5.8 27.5 33.1 18 21 A L H X S+ 0 0 18 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.902 113.2 41.8 -68.4 -50.1 5.7 29.5 36.3 19 22 A K H X S+ 0 0 132 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.888 115.9 52.2 -66.9 -31.8 8.8 28.1 38.0 20 23 A T H < S+ 0 0 16 -4,-2.2 3,-0.4 -5,-0.3 4,-0.3 0.941 112.2 43.1 -68.1 -50.1 10.7 28.2 34.7 21 24 A L H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 6,-0.4 0.938 112.2 53.5 -63.2 -44.6 9.9 31.9 33.9 22 25 A L H 3< S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.700 95.6 68.8 -64.2 -21.0 10.5 33.1 37.5 23 26 A S T 3< S+ 0 0 105 -4,-1.0 2,-0.5 -3,-0.4 -1,-0.3 0.627 91.3 72.2 -71.5 -14.6 14.0 31.5 37.5 24 27 A D S X S- 0 0 41 -3,-1.7 3,-2.2 -4,-0.3 4,-0.2 -0.895 78.4-142.3-105.4 125.9 15.1 34.1 35.0 25 28 A K G > S+ 0 0 200 -2,-0.5 3,-1.5 1,-0.3 4,-0.3 0.779 95.3 73.8 -61.6 -19.6 15.5 37.7 36.2 26 29 A R G 3> S+ 0 0 95 1,-0.3 4,-1.6 2,-0.1 3,-0.4 0.645 80.3 75.7 -66.1 -11.0 14.1 39.0 32.9 27 30 A S G <4 S+ 0 0 16 -3,-2.2 -1,-0.3 -6,-0.4 -23,-0.2 0.665 76.4 74.2 -76.0 -15.4 10.6 38.0 34.1 28 31 A A T <4 S+ 0 0 91 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 0.902 122.9 3.4 -64.8 -40.2 10.3 40.8 36.6 29 32 A T T 4 S+ 0 0 138 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.458 99.2 126.6-123.3 -5.7 9.6 43.4 33.9 30 33 A G < - 0 0 11 -4,-1.6 2,-0.1 -5,-0.1 -27,-0.1 -0.191 49.8-136.3 -64.7 145.2 9.6 41.4 30.7 31 34 A D > - 0 0 91 1,-0.0 4,-2.2 -28,-0.0 5,-0.2 -0.256 43.8 -83.4 -81.8-177.8 6.7 41.5 28.2 32 35 A I H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 130.5 55.7 -64.8 -34.1 5.3 38.4 26.6 33 36 A T H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 109.6 47.4 -60.6 -43.8 8.1 38.3 23.9 34 37 A T H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.880 109.1 53.3 -61.9 -43.3 10.6 38.4 26.7 35 38 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.913 108.8 49.7 -58.0 -43.8 8.8 35.6 28.5 36 39 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 108.8 52.5 -59.9 -45.5 8.9 33.5 25.3 37 40 A L H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.895 108.1 51.7 -58.0 -41.3 12.7 34.2 25.0 38 41 A I H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.898 109.8 49.5 -57.7 -46.0 13.1 33.0 28.6 39 42 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 107.8 53.4 -63.5 -40.0 11.2 29.8 27.7 40 43 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.916 108.9 50.0 -60.1 -45.7 13.4 29.2 24.6 41 44 A D H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.825 108.2 52.1 -61.4 -36.6 16.5 29.5 26.8 42 45 A A H X S+ 0 0 22 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.884 110.0 48.8 -67.9 -39.6 15.1 27.0 29.3 43 46 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.936 111.2 51.2 -59.0 -48.4 14.5 24.5 26.4 44 47 A K H X S+ 0 0 78 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.939 106.5 53.8 -55.7 -43.6 18.0 25.1 25.2 45 48 A A H X S+ 0 0 45 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.891 113.0 42.4 -59.6 -42.8 19.5 24.4 28.6 46 49 A K H X S+ 0 0 71 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.886 115.5 49.9 -70.7 -40.8 17.7 21.0 28.8 47 50 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.886 107.8 53.6 -65.1 -37.4 18.6 20.2 25.1 48 51 A N H X S+ 0 0 81 -4,-3.3 4,-2.1 -5,-0.2 5,-0.2 0.937 111.5 47.1 -60.4 -43.9 22.3 21.1 25.8 49 52 A Q H X S+ 0 0 87 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.917 111.4 49.5 -64.7 -45.9 22.1 18.6 28.7 50 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.907 109.0 53.3 -58.3 -47.0 20.5 15.9 26.6 51 54 A A H X S+ 0 0 26 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.927 113.0 41.5 -61.4 -45.2 23.1 16.4 23.9 52 55 A V H X S+ 0 0 86 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.910 111.2 56.9 -68.4 -38.1 26.1 15.9 26.2 53 56 A T H X S+ 0 0 42 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.942 108.8 47.2 -57.1 -46.7 24.4 13.1 28.0 54 57 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.940 111.1 50.7 -54.5 -50.7 24.0 11.3 24.7 55 58 A S H X S+ 0 0 67 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.857 108.8 52.4 -59.8 -39.0 27.6 11.9 23.8 56 59 A K H X S+ 0 0 147 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.925 109.5 48.2 -62.6 -45.8 28.7 10.6 27.1 57 60 A L H < S+ 0 0 40 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.919 113.9 47.3 -59.2 -44.5 26.8 7.3 26.6 58 61 A R H >< S+ 0 0 120 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.848 108.3 55.6 -64.9 -35.5 28.2 7.0 23.1 59 62 A H H 3< S+ 0 0 165 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 101.5 58.9 -66.0 -32.3 31.8 7.7 24.5 60 63 A S T 3< S- 0 0 70 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.389 119.7-104.6 -79.2 0.3 31.5 4.8 27.0 61 64 A N < - 0 0 143 -3,-1.1 -3,-0.1 -4,-0.1 -2,-0.1 0.967 48.0-143.5 66.0 82.4 30.9 2.1 24.3 62 65 A P - 0 0 14 0, 0.0 5,-0.1 0, 0.0 -4,-0.0 -0.275 24.2 -77.0 -78.9 166.7 27.1 1.7 24.8 63 66 A P >> - 0 0 72 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.222 43.6-114.3 -58.6 147.2 25.1 -1.5 24.6 64 67 A A H >> S+ 0 0 81 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.844 116.5 60.4 -52.1 -39.4 24.4 -2.7 21.0 65 68 A A H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.736 107.7 45.5 -53.9 -32.7 20.6 -2.1 21.6 66 69 A W H <> S+ 0 0 83 -3,-2.0 4,-2.8 2,-0.1 5,-0.2 0.605 88.6 85.2 -94.1 -11.6 21.4 1.6 22.3 67 70 A K H S+ 0 0 21 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.908 113.1 48.7 -55.5 -45.9 18.8 5.2 19.1 70 73 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.913 112.3 48.4 -60.6 -43.5 21.7 7.2 20.5 71 74 A K H X S+ 0 0 143 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.912 115.0 45.9 -63.5 -43.5 23.0 8.1 17.0 72 75 A N H X S+ 0 0 67 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.907 112.9 48.6 -62.6 -47.7 19.5 9.1 16.0 73 76 A C H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.862 105.3 59.8 -58.8 -37.7 18.9 11.1 19.1 74 77 A A H X S+ 0 0 25 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.931 108.2 45.2 -60.7 -41.3 22.3 12.8 18.6 75 78 A F H X S+ 0 0 139 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.937 109.3 55.1 -65.3 -46.0 20.9 14.1 15.3 76 79 A S H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.920 112.2 43.4 -52.4 -47.9 17.6 15.1 16.8 77 80 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.820 108.0 58.4 -71.6 -33.6 19.3 17.3 19.4 78 81 A K H X S+ 0 0 136 -4,-1.9 4,-2.2 -5,-0.2 5,-0.3 0.913 109.9 45.8 -56.2 -42.8 21.8 18.7 16.8 79 82 A V H X>S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 5,-1.8 0.937 112.4 50.1 -65.2 -47.5 18.7 20.0 14.8 80 83 A I H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 -2,-0.2 0.932 118.8 37.5 -57.3 -46.7 17.1 21.4 18.0 81 84 A L H <5S+ 0 0 38 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.814 126.9 33.9 -80.6 -31.3 20.3 23.2 19.1 82 85 A T H <5S+ 0 0 94 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.795 135.4 10.9 -95.9 -37.5 21.5 24.4 15.6 83 86 A A T X5S+ 0 0 51 -4,-2.6 4,-2.6 -5,-0.3 -3,-0.2 0.806 122.8 45.2-106.2 -62.3 18.2 25.0 13.6 84 87 A S H > S+ 0 0 55 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 109.0 52.9 -55.2 -41.9 18.1 29.6 16.9 87 90 A E H X S+ 0 0 69 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 110.4 47.8 -53.4 -49.5 15.1 30.0 14.4 88 91 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.896 111.5 48.7 -62.9 -45.4 12.8 30.7 17.4 89 92 A I H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.944 113.5 47.8 -59.6 -46.6 15.2 33.3 19.0 90 93 A E H X S+ 0 0 99 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.911 112.1 48.7 -61.1 -46.4 15.7 35.0 15.7 91 94 A A H <>S+ 0 0 7 -4,-2.4 5,-2.9 1,-0.2 4,-0.5 0.899 113.9 45.9 -63.8 -46.0 11.9 35.2 15.0 92 95 A L H ><5S+ 0 0 6 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.881 113.9 47.7 -60.7 -42.3 11.1 36.5 18.4 93 96 A T H 3<5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.3 45.3 -74.7 -30.4 13.8 39.2 18.4 94 97 A K T 3<5S- 0 0 146 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.438 115.3-113.5 -90.3 -1.8 12.9 40.4 14.9 95 98 A G T < 5S+ 0 0 58 -3,-0.5 -3,-0.2 -4,-0.5 -4,-0.1 0.787 84.7 114.3 74.4 32.3 9.2 40.4 15.6 96 99 A D > < + 0 0 77 -5,-2.9 3,-1.6 -6,-0.2 4,-0.4 -0.589 35.8 168.6-122.9 65.6 8.0 37.6 13.3 97 100 A P T >> + 0 0 22 0, 0.0 3,-1.8 0, 0.0 4,-1.6 0.704 58.8 78.5 -58.4 -23.8 6.9 35.2 16.1 98 101 A K H 3> S+ 0 0 111 1,-0.3 4,-1.5 2,-0.2 -6,-0.1 0.842 92.5 54.7 -59.2 -30.2 5.0 32.7 13.9 99 102 A F H <> S+ 0 0 91 -3,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.763 102.2 56.9 -69.7 -23.2 8.3 31.3 12.9 100 103 A A H <> S+ 0 0 0 -3,-1.8 4,-1.5 -4,-0.4 -2,-0.2 0.853 102.0 55.8 -76.7 -33.6 9.2 30.8 16.6 101 104 A E H X S+ 0 0 35 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.934 104.4 54.5 -59.8 -43.6 6.0 28.7 17.0 102 105 A D H X S+ 0 0 83 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.883 105.5 52.3 -55.0 -43.7 7.4 26.5 14.1 103 106 A G H X S+ 0 0 1 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.858 110.6 47.5 -63.2 -34.3 10.7 25.9 16.1 104 107 A M H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 5,-0.2 0.821 107.1 54.6 -82.9 -32.8 8.8 24.8 19.2 105 108 A V H X S+ 0 0 65 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.946 113.4 45.7 -59.1 -42.9 6.6 22.4 17.3 106 109 A G H X S+ 0 0 22 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.946 113.2 46.2 -66.5 -50.9 9.8 20.9 15.9 107 110 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.884 112.6 51.7 -60.9 -38.9 11.6 20.7 19.2 108 111 A S H X S+ 0 0 4 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.953 115.8 41.1 -61.1 -47.5 8.5 19.2 21.0 109 112 A G H X S+ 0 0 24 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.888 113.3 52.1 -68.0 -41.2 8.2 16.5 18.3 110 113 A D H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.900 107.5 51.9 -69.1 -38.4 11.9 15.8 18.0 111 114 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.894 114.3 44.3 -60.7 -40.4 12.3 15.2 21.8 112 115 A Q H X S+ 0 0 81 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.883 110.7 54.3 -70.4 -38.5 9.4 12.8 21.6 113 116 A E H X S+ 0 0 83 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.921 108.6 49.7 -57.6 -48.0 10.8 11.2 18.5 114 117 A C H >X S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.6 0.948 109.6 49.8 -58.1 -50.6 14.1 10.6 20.3 115 118 A E H >< S+ 0 0 39 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.904 107.8 55.5 -55.3 -41.8 12.4 9.0 23.3 116 119 A E H 3< S+ 0 0 148 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.670 90.1 74.1 -65.9 -21.6 10.4 6.7 20.9 117 120 A Y H << 0 0 86 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.786 360.0 360.0 -63.1 -29.9 13.6 5.3 19.3 118 121 A F << 0 0 63 -3,-1.2 3,-0.1 -4,-0.6 -52,-0.1 -0.713 360.0 360.0 -76.5 360.0 14.3 3.3 22.4 119 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 120 125 A K 0 0 119 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 118.3 12.0 4.6 28.4 121 126 A S > - 0 0 6 1,-0.1 3,-1.6 -3,-0.1 4,-0.2 -0.412 360.0-105.5 -74.4 161.7 15.4 6.0 27.3 122 127 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.516 123.6 38.7 -65.5 -8.5 18.2 6.4 29.8 123 128 A F T >> S+ 0 0 11 1,-0.1 4,-1.8 2,-0.1 3,-1.3 -0.047 73.5 136.3-130.5 33.6 17.6 10.2 29.7 124 129 A S H <> + 0 0 38 -3,-1.6 4,-3.1 1,-0.3 5,-0.2 0.808 68.5 60.5 -46.4 -42.9 13.7 10.1 29.5 125 130 A A H 3> S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.855 106.6 46.2 -60.4 -35.9 13.4 13.0 32.1 126 131 A L H <> S+ 0 0 24 -3,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.918 112.3 48.7 -73.9 -43.8 15.4 15.3 29.8 127 132 A N H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.936 113.8 48.8 -58.1 -43.4 13.4 14.3 26.6 128 133 A I H X S+ 0 0 78 -4,-3.1 4,-3.1 -5,-0.2 -2,-0.2 0.929 110.7 49.8 -60.6 -44.4 10.2 14.9 28.7 129 134 A A H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.942 111.4 48.8 -61.5 -45.9 11.5 18.3 29.9 130 135 A V H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.929 114.4 45.2 -59.1 -46.2 12.3 19.3 26.3 131 136 A H H X S+ 0 0 41 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.956 115.6 46.8 -60.3 -49.2 8.9 18.2 25.1 132 137 A E H X S+ 0 0 78 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.903 114.8 44.5 -64.4 -46.6 7.0 19.9 28.0 133 138 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.828 111.2 55.1 -65.4 -34.3 8.9 23.2 27.9 134 139 A S H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.915 108.6 47.8 -65.4 -41.6 8.5 23.3 24.1 135 140 A D H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.890 111.4 50.9 -69.9 -33.9 4.8 22.9 24.4 136 141 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.952 112.5 46.6 -62.1 -47.5 4.7 25.7 27.0 137 142 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.895 107.4 56.1 -64.6 -41.3 6.7 28.0 24.7 138 143 A R H X S+ 0 0 85 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.910 110.6 46.5 -53.6 -44.9 4.5 27.2 21.7 139 144 A A H X S+ 0 0 25 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.915 110.0 51.9 -68.8 -42.2 1.5 28.3 23.8 140 145 A I H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.953 109.1 51.8 -54.4 -47.4 3.3 31.5 25.0 141 146 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 4,-0.3 0.837 98.2 63.7 -65.0 -36.4 4.1 32.4 21.4 142 147 A R H >< S+ 0 0 157 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.809 91.7 65.4 -58.7 -30.1 0.6 32.0 20.2 143 148 A N T << S+ 0 0 66 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.775 100.0 55.2 -53.1 -30.2 -0.4 35.0 22.6 144 149 A L T < 0 0 51 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.500 360.0 360.0 -85.3 -10.0 1.8 37.1 20.3 145 150 A L < 0 0 101 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.291 360.0 360.0 -95.4 360.0 -0.1 36.1 17.1