==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 29-MAR-06 2CJ6 . COMPND 2 MOLECULE: INVERTASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR M.HOTHORN,K.SCHEFFZEK . 146 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 84.2 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 . 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 67.1 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 0 1 1 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 1 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 . 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 5 A N > 0 0 136 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 44.2 17.5 75.2 22.7 2 6 A L H > + 0 0 71 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.903 360.0 51.6 -64.0 -45.5 18.0 74.5 19.0 3 7 A V H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.958 114.2 44.6 -55.9 -53.9 19.6 71.0 19.6 4 8 A E H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.954 117.7 44.0 -48.2 -57.6 16.6 70.0 21.8 5 9 A T H X S+ 0 0 58 -4,-2.9 4,-1.2 1,-0.2 3,-0.3 0.942 115.8 48.2 -61.0 -46.8 14.0 71.5 19.3 6 10 A T H >< S+ 0 0 6 -4,-3.6 3,-0.8 1,-0.2 -1,-0.2 0.936 110.9 49.4 -57.0 -51.1 15.8 70.0 16.3 7 11 A a H >< S+ 0 0 0 -4,-2.8 3,-0.8 -5,-0.3 -1,-0.2 0.746 103.8 60.5 -64.9 -25.0 16.1 66.5 17.8 8 12 A K H 3< S+ 0 0 141 -4,-1.6 -1,-0.3 -3,-0.3 2,-0.2 0.843 100.0 57.2 -66.9 -34.0 12.4 66.6 18.7 9 13 A N T << S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.1 -0.149 95.9 87.6 -90.2 39.3 11.7 67.0 14.9 10 14 A T S < S- 0 0 21 -3,-0.8 3,-0.4 -2,-0.2 127,-0.1 -0.914 86.6-116.4-129.8 157.6 13.5 63.7 14.1 11 15 A P S S+ 0 0 92 0, 0.0 126,-0.1 0, 0.0 2,-0.1 0.435 111.7 35.6 -73.2 4.1 12.4 60.0 14.0 12 16 A N > + 0 0 53 -5,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.476 65.2 177.2-156.1 82.6 14.9 59.3 16.9 13 17 A Y H > S+ 0 0 85 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.852 80.9 48.9 -54.7 -48.2 15.3 62.0 19.5 14 18 A Q H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.929 113.9 46.3 -68.4 -44.3 17.7 60.3 21.9 15 19 A L H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 113.9 49.4 -57.4 -45.6 20.1 59.2 19.1 16 20 A a H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.944 114.8 44.7 -56.3 -47.3 19.9 62.7 17.6 17 21 A L H X S+ 0 0 24 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.946 112.9 48.3 -68.7 -51.8 20.7 64.3 21.0 18 22 A K H X S+ 0 0 154 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.876 116.1 47.1 -52.4 -42.1 23.4 62.0 22.0 19 23 A T H X S+ 0 0 22 -4,-2.0 4,-0.8 -5,-0.3 3,-0.3 0.950 113.7 43.4 -72.5 -50.8 25.0 62.5 18.6 20 24 A L H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 6,-0.4 0.894 113.6 51.3 -61.2 -41.3 24.8 66.3 18.4 21 25 A L H 3< S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.710 100.2 63.9 -75.8 -20.1 26.0 66.8 22.0 22 26 A S H 3< S+ 0 0 94 -4,-1.0 2,-0.3 -3,-0.3 -1,-0.2 0.817 95.6 76.3 -60.2 -33.1 29.0 64.6 21.4 23 27 A D S X< S- 0 0 37 -4,-0.8 3,-1.0 -3,-0.7 4,-0.3 -0.648 75.9-145.3 -92.7 141.4 30.1 67.1 18.9 24 28 A K G > S+ 0 0 190 -2,-0.3 3,-0.9 1,-0.2 4,-0.5 0.852 95.2 66.1 -70.0 -36.8 31.7 70.5 20.0 25 29 A R G 3 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.571 84.8 77.9 -58.2 -14.5 30.1 72.4 17.1 26 30 A S G X S+ 0 0 9 -3,-1.0 3,-0.6 -6,-0.4 -1,-0.2 0.849 81.9 58.9 -71.2 -39.1 26.5 71.8 18.5 27 31 A A T < S+ 0 0 95 -3,-0.9 2,-0.7 1,-0.3 -1,-0.2 0.914 120.2 31.6 -60.9 -44.6 26.4 74.4 21.3 28 32 A T T 3 S+ 0 0 123 -4,-0.5 2,-0.4 2,-0.0 -1,-0.3 -0.848 99.9 127.9-106.8 84.9 27.1 77.1 18.7 29 33 A G < - 0 0 15 -2,-0.7 2,-0.1 -3,-0.6 -27,-0.1 -0.952 43.5-156.9-147.5 122.8 25.3 75.4 15.8 30 34 A D >> - 0 0 95 -2,-0.4 4,-2.0 -28,-0.0 3,-0.8 -0.406 50.8 -85.0 -83.3 172.9 22.6 76.5 13.3 31 35 A I H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.868 130.0 51.9 -47.8 -46.2 20.4 74.0 11.5 32 36 A T H 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.861 107.5 52.1 -60.9 -39.1 23.0 73.4 8.8 33 37 A T H <> S+ 0 0 36 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.870 108.7 50.4 -64.5 -41.1 25.8 72.8 11.3 34 38 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.894 109.3 51.1 -64.6 -42.9 23.7 70.2 13.0 35 39 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.938 109.5 52.1 -51.8 -49.3 23.1 68.6 9.6 36 40 A L H X S+ 0 0 38 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.885 107.3 51.2 -61.2 -37.6 26.9 68.6 9.1 37 41 A I H X S+ 0 0 5 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.850 108.4 51.9 -67.7 -37.4 27.4 66.8 12.5 38 42 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.903 106.1 54.0 -63.4 -42.0 24.9 64.1 11.6 39 43 A V H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.917 107.1 51.2 -59.8 -44.1 26.7 63.4 8.2 40 44 A D H X S+ 0 0 64 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.837 109.4 50.8 -64.5 -32.8 30.0 62.9 10.0 41 45 A A H X S+ 0 0 21 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.894 110.0 49.1 -66.8 -45.6 28.3 60.4 12.4 42 46 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.946 110.5 52.8 -58.0 -48.2 26.9 58.5 9.4 43 47 A K H X S+ 0 0 89 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.805 104.7 54.7 -54.2 -38.6 30.4 58.5 7.9 44 48 A A H X S+ 0 0 57 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.952 113.0 41.4 -65.1 -48.3 31.9 57.1 11.0 45 49 A K H X S+ 0 0 81 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.877 113.2 54.0 -64.7 -40.3 29.6 54.1 11.0 46 50 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.853 106.1 52.3 -64.9 -39.0 29.8 53.7 7.2 47 51 A N H X S+ 0 0 83 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.923 110.1 49.6 -61.4 -43.1 33.6 53.4 7.4 48 52 A Q H X S+ 0 0 113 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.886 110.9 48.9 -59.3 -46.3 33.2 50.7 10.0 49 53 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.897 107.5 55.8 -60.1 -43.9 30.8 48.8 7.9 50 54 A A H X S+ 0 0 34 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.896 113.3 40.0 -56.8 -41.6 33.1 49.0 4.9 51 55 A V H X S+ 0 0 83 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.941 114.0 53.1 -73.3 -48.9 36.0 47.4 6.8 52 56 A T H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 109.9 48.6 -54.9 -49.5 33.8 44.9 8.5 53 57 A I H X S+ 0 0 2 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.918 112.7 49.0 -51.3 -50.5 32.4 43.8 5.0 54 58 A S H X S+ 0 0 54 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.931 109.6 51.2 -56.8 -49.7 35.9 43.5 3.6 55 59 A K H >< S+ 0 0 125 -4,-3.1 3,-0.7 1,-0.2 4,-0.3 0.944 111.0 48.2 -50.4 -54.5 37.1 41.5 6.6 56 60 A L H >< S+ 0 0 39 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.880 109.2 52.3 -56.4 -43.9 34.2 39.0 6.3 57 61 A R H 3< S+ 0 0 93 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.759 112.2 47.7 -67.6 -22.7 34.8 38.7 2.5 58 62 A H T << S+ 0 0 150 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.387 97.0 73.5 -94.4 4.5 38.4 37.9 3.4 59 63 A S S < S- 0 0 77 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.033 114.4-100.0-111.3 29.0 37.6 35.3 6.1 60 64 A N - 0 0 150 -3,-0.4 -3,-0.1 1,-0.1 -2,-0.1 0.947 53.2-162.4 54.3 59.3 36.4 32.5 3.8 61 65 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.249 29.0 -86.4 -71.5 160.4 32.7 33.2 4.3 62 66 A P > - 0 0 73 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.350 39.7-114.1 -62.7 146.6 30.2 30.7 3.4 63 67 A A G >> S+ 0 0 82 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.780 113.4 65.0 -47.6 -36.5 29.1 30.8 -0.2 64 68 A A G 34 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.2 3,-0.0 0.670 102.0 48.7 -67.8 -17.1 25.6 31.9 0.7 65 69 A W G <> S+ 0 0 56 -3,-2.1 4,-2.5 2,-0.1 -1,-0.3 0.512 88.8 84.7 -98.5 -8.4 26.9 35.2 2.2 66 70 A K H <> S+ 0 0 103 -3,-1.2 4,-2.6 -4,-0.5 5,-0.2 0.925 91.7 46.5 -62.1 -47.9 29.1 36.0 -0.9 67 71 A G H X S+ 0 0 39 -4,-0.6 4,-2.7 2,-0.2 5,-0.2 0.966 115.6 44.6 -53.6 -65.6 26.1 37.7 -2.8 68 72 A P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.886 115.7 48.2 -46.0 -46.8 25.0 39.7 0.2 69 73 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 111.7 48.2 -63.2 -45.6 28.6 40.8 1.1 70 74 A K H X S+ 0 0 57 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.909 114.5 46.3 -64.7 -42.4 29.4 41.8 -2.4 71 75 A N H X S+ 0 0 77 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.915 111.2 51.5 -67.8 -44.9 26.2 43.8 -2.7 72 76 A b H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.896 104.1 58.5 -54.2 -43.1 26.7 45.5 0.7 73 77 A A H X S+ 0 0 27 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.920 107.7 47.2 -52.1 -46.1 30.3 46.5 -0.4 74 78 A F H X S+ 0 0 140 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.916 109.3 54.8 -64.3 -42.0 28.7 48.4 -3.4 75 79 A S H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.919 112.0 41.2 -57.9 -47.4 26.2 50.0 -1.1 76 80 A Y H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.818 110.6 57.7 -75.5 -29.8 28.8 51.4 1.3 77 81 A K H X S+ 0 0 127 -4,-2.1 4,-2.6 -5,-0.3 5,-0.4 0.931 109.3 45.8 -61.1 -45.2 31.1 52.4 -1.5 78 82 A V H X>S+ 0 0 43 -4,-2.5 5,-2.5 2,-0.2 4,-2.0 0.917 114.0 49.0 -62.5 -43.8 28.3 54.6 -2.9 79 83 A I H <>S+ 0 0 0 -4,-1.9 5,-2.4 3,-0.2 -2,-0.2 0.917 118.0 39.2 -60.3 -47.9 27.5 56.0 0.5 80 84 A L H <5S+ 0 0 38 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 125.8 32.9 -73.3 -37.2 31.1 56.8 1.2 81 85 A T H <5S+ 0 0 87 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.632 136.4 9.8 -99.4 -17.2 32.2 58.1 -2.3 82 86 A A T X5S+ 0 0 28 -4,-2.0 4,-2.0 -5,-0.4 5,-0.2 0.662 120.1 48.2-127.8 -63.2 29.0 59.7 -3.5 83 87 A S H > S+ 0 0 52 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.862 110.7 50.9 -45.5 -43.1 30.5 63.9 0.1 86 90 A E H X S+ 0 0 109 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.820 108.5 52.5 -68.3 -30.6 27.6 65.3 -2.0 87 91 A A H X S+ 0 0 0 -4,-1.2 4,-2.8 -3,-0.4 5,-0.3 0.916 110.8 46.6 -69.3 -44.5 25.7 66.1 1.2 88 92 A I H X S+ 0 0 46 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.925 114.9 47.3 -65.0 -42.7 28.6 67.9 2.7 89 93 A E H X S+ 0 0 130 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.971 114.2 47.1 -56.9 -54.7 29.0 69.8 -0.6 90 94 A A H X>S+ 0 0 3 -4,-3.0 5,-3.0 1,-0.2 4,-0.8 0.852 111.7 48.4 -59.5 -45.2 25.3 70.6 -0.8 91 95 A L H <5S+ 0 0 9 -4,-2.8 3,-0.5 3,-0.2 -1,-0.2 0.904 115.0 47.6 -60.5 -43.3 25.1 71.8 2.8 92 96 A T H <5S+ 0 0 109 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.966 111.9 48.7 -59.9 -52.0 28.2 73.9 2.2 93 97 A K H <5S- 0 0 158 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.569 114.7-115.4 -68.3 -10.4 26.8 75.3 -1.1 94 98 A G T <5S+ 0 0 62 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.899 80.4 122.6 73.3 41.9 23.5 76.2 0.5 95 99 A D >>< + 0 0 14 -5,-3.0 3,-0.9 -6,-0.1 4,-0.7 -0.685 30.0 169.8-132.4 76.2 21.5 73.7 -1.6 96 100 A P H 3> + 0 0 20 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.675 65.6 73.6 -70.3 -23.6 19.8 71.3 0.9 97 101 A K H 3> S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -6,-0.1 0.910 100.9 46.7 -54.8 -39.5 17.5 69.5 -1.5 98 102 A F H <> S+ 0 0 123 -3,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.813 109.5 53.1 -74.4 -29.5 20.6 67.7 -2.8 99 103 A A H X S+ 0 0 0 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.856 104.6 56.0 -73.0 -33.1 21.8 66.9 0.8 100 104 A E H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.875 104.2 54.2 -59.7 -38.5 18.4 65.4 1.5 101 105 A D H X S+ 0 0 95 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.850 105.5 52.9 -68.1 -35.2 18.9 63.1 -1.4 102 106 A G H X S+ 0 0 6 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.920 110.9 46.4 -57.4 -45.6 22.2 62.0 0.1 103 107 A M H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.862 112.5 51.0 -67.3 -33.9 20.5 61.2 3.4 104 108 A V H X S+ 0 0 60 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.913 112.4 46.6 -69.3 -40.9 17.7 59.3 1.5 105 109 A G H X S+ 0 0 25 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.936 110.8 49.4 -66.7 -51.2 20.2 57.2 -0.4 106 110 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.895 112.3 50.1 -59.2 -41.3 22.4 56.3 2.6 107 111 A S H X S+ 0 0 11 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.880 113.9 43.9 -60.3 -47.2 19.3 55.2 4.5 108 112 A G H X S+ 0 0 35 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.900 113.2 51.7 -68.8 -38.6 18.0 53.0 1.7 109 113 A D H X S+ 0 0 27 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.917 111.6 45.4 -66.6 -47.2 21.4 51.5 0.9 110 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.876 116.6 47.1 -57.1 -44.2 22.0 50.5 4.6 111 115 A Q H X S+ 0 0 111 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.922 111.0 50.7 -63.7 -45.7 18.4 49.1 4.7 112 116 A E H X S+ 0 0 79 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.893 109.2 53.6 -59.2 -39.8 18.9 47.3 1.4 113 117 A b H >X S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 4,-0.6 0.966 108.9 46.1 -56.7 -57.5 22.1 45.8 2.8 114 118 A E H >< S+ 0 0 54 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.922 107.2 61.3 -47.5 -47.6 20.4 44.4 5.9 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