==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 19-AUG-04 1X91 . COMPND 2 MOLECULE: INVERTASE/PECTIN METHYLESTERASE INHIBITOR FAMILY . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.HOTHORN,S.WOLF,P.ALOY,S.GREINER,K.SCHEFFZEK . 149 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 81.2 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 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 1 A S 0 0 159 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.6 37.8 2.9 -5.1 2 2 A S - 0 0 46 1,-0.1 4,-0.4 3,-0.0 3,-0.3 -0.244 360.0-120.2 -61.4 153.9 40.0 5.9 -4.1 3 3 A E S >> S+ 0 0 104 1,-0.2 3,-1.7 25,-0.2 4,-1.1 0.912 113.3 59.9 -60.1 -43.7 39.4 7.7 -0.9 4 4 A M T 34 S+ 0 0 37 24,-0.3 3,-0.4 1,-0.3 4,-0.3 0.848 92.9 65.0 -53.5 -39.1 38.8 10.9 -2.9 5 5 A S T 34 S+ 0 0 67 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.677 120.1 20.3 -64.2 -18.2 35.9 9.3 -4.9 6 6 A T T X4 S+ 0 0 73 -3,-1.7 3,-1.7 -4,-0.4 -1,-0.2 0.334 88.1 111.9-127.7 4.8 33.8 9.0 -1.7 7 7 A I G >< + 0 0 0 -4,-1.1 3,-1.7 -3,-0.4 -2,-0.1 0.647 59.9 78.9 -59.2 -19.2 35.3 11.6 0.7 8 8 A a G > S+ 0 0 7 -4,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.755 75.5 74.8 -66.5 -22.0 32.4 13.9 0.7 9 9 A D G < S+ 0 0 111 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.630 90.5 59.4 -65.2 -9.9 30.4 11.8 3.1 10 10 A K G < S+ 0 0 103 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 0.253 93.6 85.2-103.4 13.1 32.7 13.0 5.9 11 11 A T S < S- 0 0 22 -3,-1.7 123,-0.1 1,-0.1 127,-0.0 -0.691 79.3-122.3-114.7 163.0 31.8 16.7 5.5 12 12 A L S S+ 0 0 153 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.749 110.4 33.9 -75.0 -26.1 29.0 19.1 6.7 13 13 A N > + 0 0 66 1,-0.1 4,-2.0 121,-0.1 -1,-0.3 -0.795 65.4 172.4-129.5 84.7 27.9 20.0 3.2 14 14 A P H > S+ 0 0 54 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.874 79.5 60.6 -60.6 -34.9 28.4 17.0 1.0 15 15 A S H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 107.2 45.4 -55.6 -50.4 26.6 18.8 -1.9 16 16 A F H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.921 113.7 48.9 -57.2 -45.2 29.3 21.5 -1.8 17 17 A a H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.922 110.6 50.1 -64.8 -44.1 32.0 18.9 -1.6 18 18 A L H X S+ 0 0 90 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.920 112.2 48.2 -60.4 -44.3 30.6 16.9 -4.5 19 19 A K H X S+ 0 0 152 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.945 113.4 48.3 -57.5 -49.2 30.4 20.1 -6.6 20 20 A F H X S+ 0 0 24 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.935 113.6 43.6 -60.8 -48.5 33.9 21.0 -5.7 21 21 A L H <>S+ 0 0 11 -4,-2.8 5,-2.5 1,-0.2 -1,-0.2 0.871 118.7 44.0 -73.3 -33.4 35.6 17.7 -6.4 22 22 A N H ><5S+ 0 0 122 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 0.919 110.1 54.1 -71.8 -42.3 33.7 17.2 -9.6 23 23 A T H 3<5S+ 0 0 113 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.841 118.6 36.8 -61.0 -34.2 34.1 20.7 -10.9 24 24 A K T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.129 104.9-125.0-105.5 18.7 37.9 20.4 -10.4 25 25 A F T < 5 - 0 0 187 -3,-1.6 -3,-0.2 1,-0.1 -4,-0.1 0.905 40.2-131.1 33.3 68.4 38.3 16.7 -11.5 26 26 A A < - 0 0 9 -5,-2.5 -1,-0.1 1,-0.1 7,-0.1 -0.119 11.3-112.3 -59.9 137.3 39.9 16.1 -8.2 27 27 A S - 0 0 48 -3,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.322 10.1-142.7 -58.1 142.8 43.2 14.2 -8.1 28 28 A A S S+ 0 0 61 -24,-0.1 2,-0.6 -25,-0.1 -24,-0.3 0.567 82.3 95.0 -81.3 -10.6 43.1 10.8 -6.5 29 29 A N S > S- 0 0 97 1,-0.2 4,-2.5 -27,-0.1 5,-0.2 -0.754 71.1-152.2 -79.8 111.8 46.5 11.6 -5.0 30 30 A L H > S+ 0 0 31 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.840 91.8 53.9 -64.9 -30.9 45.7 13.0 -1.6 31 31 A Q H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 112.8 44.1 -65.4 -44.7 48.8 15.2 -1.4 32 32 A A H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 113.5 50.4 -65.5 -41.9 47.9 16.8 -4.7 33 33 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.900 106.9 54.8 -66.8 -37.6 44.3 17.2 -3.7 34 34 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.916 109.7 48.7 -54.5 -44.1 45.3 18.8 -0.3 35 35 A K H X S+ 0 0 94 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.935 111.5 46.3 -70.1 -44.6 47.3 21.4 -2.3 36 36 A T H X S+ 0 0 57 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.886 113.2 51.3 -67.9 -30.0 44.5 22.3 -4.8 37 37 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.922 109.9 48.3 -67.2 -47.0 42.0 22.5 -1.9 38 38 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.886 108.2 56.7 -57.2 -42.0 44.3 24.8 0.0 39 39 A D H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 109.1 44.6 -56.8 -47.3 44.7 26.9 -3.1 40 40 A S H X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.890 113.5 50.9 -65.4 -38.7 41.0 27.4 -3.5 41 41 A T H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 111.5 46.2 -65.8 -46.2 40.6 28.2 0.2 42 42 A Q H X S+ 0 0 25 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.894 111.4 52.6 -65.5 -40.6 43.4 30.8 0.2 43 43 A A H X S+ 0 0 41 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.944 111.5 46.8 -60.7 -46.2 42.0 32.5 -3.0 44 44 A R H X S+ 0 0 84 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.890 111.8 50.4 -60.9 -39.5 38.6 32.7 -1.4 45 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.926 111.5 48.0 -65.8 -44.3 40.0 34.1 1.9 46 46 A T H X S+ 0 0 62 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.907 111.6 49.1 -65.4 -43.4 42.0 36.7 0.1 47 47 A Q H X S+ 0 0 98 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.886 111.2 51.6 -60.7 -39.7 39.0 37.8 -2.1 48 48 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.893 105.0 53.8 -70.1 -42.0 36.9 38.0 1.1 49 49 A L H X S+ 0 0 34 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.940 111.2 48.0 -53.8 -45.6 39.3 40.2 2.9 50 50 A K H X S+ 0 0 158 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.903 111.2 49.3 -62.1 -43.3 39.2 42.6 -0.1 51 51 A K H X S+ 0 0 80 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.913 110.0 51.6 -61.4 -47.2 35.4 42.5 -0.2 52 52 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 110.3 48.7 -56.7 -45.2 35.2 43.3 3.5 53 53 A Q H X S+ 0 0 76 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.873 109.4 52.8 -63.8 -38.0 37.6 46.3 3.1 54 54 A S H X S+ 0 0 67 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.902 110.5 47.4 -63.1 -43.3 35.5 47.6 0.2 55 55 A I H X S+ 0 0 24 -4,-2.2 4,-1.0 2,-0.2 3,-0.2 0.954 113.9 46.5 -64.2 -50.2 32.3 47.4 2.3 56 56 A I H >< S+ 0 0 11 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.924 111.2 52.4 -56.0 -45.8 34.0 49.2 5.2 57 57 A D H 3< S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 102.3 59.7 -65.3 -32.8 35.5 51.9 3.0 58 58 A G H 3< S- 0 0 72 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.718 119.9-104.2 -69.2 -24.2 32.1 52.6 1.4 59 59 A G << - 0 0 56 -4,-1.0 2,-0.2 -3,-0.9 -2,-0.1 0.727 45.3-176.6 102.5 99.0 30.7 53.6 4.8 60 60 A V - 0 0 45 -4,-0.4 -4,-0.0 1,-0.1 -5,-0.0 -0.663 36.1 -82.0-113.6 175.7 28.4 51.4 6.9 61 61 A D > - 0 0 77 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.274 48.6-100.3 -71.8 162.5 26.6 51.9 10.2 62 62 A P H > S+ 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.799 120.3 51.8 -58.2 -34.7 28.5 51.3 13.5 63 63 A R H > S+ 0 0 154 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.966 114.6 42.3 -69.1 -52.1 27.1 47.8 14.1 64 64 A S H > S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.886 112.6 56.3 -53.0 -42.6 28.0 46.6 10.6 65 65 A K H X S+ 0 0 58 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.913 108.2 45.2 -63.3 -41.0 31.4 48.3 10.9 66 66 A L H X S+ 0 0 98 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.926 115.4 48.8 -70.0 -41.6 32.4 46.5 14.1 67 67 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.926 113.8 43.8 -62.9 -49.0 31.2 43.2 12.7 68 68 A Y H X S+ 0 0 7 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.839 112.3 53.7 -68.2 -33.1 33.0 43.5 9.4 69 69 A R H X S+ 0 0 136 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.882 108.1 49.9 -66.7 -38.4 36.2 44.8 11.2 70 70 A S H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.891 109.5 52.6 -62.2 -41.7 36.1 41.7 13.4 71 71 A b H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.910 106.4 53.1 -61.1 -39.4 35.8 39.7 10.1 72 72 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.934 109.5 47.8 -63.7 -43.4 38.9 41.5 8.7 73 73 A D H X S+ 0 0 92 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.908 113.0 48.8 -62.2 -44.1 40.9 40.5 11.8 74 74 A E H X S+ 0 0 58 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.884 113.4 46.8 -64.6 -39.6 39.7 36.9 11.6 75 75 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.846 107.8 54.3 -72.9 -36.6 40.5 36.8 7.9 76 76 A E H X S+ 0 0 111 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.941 115.3 42.4 -58.6 -42.3 44.0 38.3 8.3 77 77 A S H X S+ 0 0 71 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.900 112.9 52.2 -70.5 -42.0 44.6 35.5 10.9 78 78 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.904 106.7 53.2 -63.6 -40.3 43.0 32.9 8.7 79 79 A I H X S+ 0 0 22 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.911 110.1 48.0 -60.1 -44.6 45.1 33.8 5.8 80 80 A G H X S+ 0 0 26 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.882 110.3 52.4 -59.8 -40.8 48.2 33.4 7.9 81 81 A N H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 109.4 48.7 -64.7 -38.3 47.0 30.1 9.2 82 82 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.872 107.0 56.0 -72.6 -29.7 46.5 28.9 5.6 83 83 A E H X S+ 0 0 103 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.925 110.9 45.0 -61.5 -45.3 50.0 30.0 4.7 84 84 A E H X S+ 0 0 83 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.886 107.1 58.7 -66.9 -36.6 51.3 27.8 7.6 85 85 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.922 106.1 49.1 -58.4 -43.4 49.1 25.0 6.5 86 86 A F H X S+ 0 0 41 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.904 107.6 54.8 -59.4 -45.7 50.8 25.2 3.1 87 87 A E H X S+ 0 0 129 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.908 112.2 42.7 -56.7 -43.3 54.3 25.1 4.8 88 88 A H H ><>S+ 0 0 61 -4,-2.4 5,-2.4 2,-0.2 3,-0.9 0.894 110.5 55.1 -74.0 -39.0 53.4 22.0 6.6 89 89 A L H ><5S+ 0 0 4 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.912 101.5 59.8 -54.6 -39.6 51.8 20.3 3.6 90 90 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 105.8 48.5 -63.7 -28.3 55.0 20.9 1.7 91 91 A S T <<5S- 0 0 85 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.392 119.6-111.1 -88.4 4.2 56.8 18.8 4.3 92 92 A G T < 5S+ 0 0 27 -3,-2.3 2,-1.4 -4,-0.2 -3,-0.2 0.630 70.6 146.1 74.1 12.7 54.2 16.0 4.0 93 93 A D >< + 0 0 43 -5,-2.4 4,-2.1 1,-0.2 -1,-0.2 -0.644 19.9 172.9 -89.8 86.0 53.0 16.9 7.6 94 94 A G H > S+ 0 0 5 -2,-1.4 4,-2.4 53,-0.5 -1,-0.2 0.827 77.1 54.9 -60.5 -36.6 49.3 16.3 7.4 95 95 A M H > S+ 0 0 161 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 108.1 49.0 -66.9 -40.2 48.9 16.9 11.2 96 96 A G H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 112.1 48.7 -64.4 -45.0 50.5 20.3 10.9 97 97 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.926 110.6 52.5 -56.4 -45.1 48.3 21.2 8.0 98 98 A N H X S+ 0 0 47 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.921 106.8 49.9 -63.3 -43.0 45.3 20.0 9.9 99 99 A M H X S+ 0 0 119 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.915 114.7 44.9 -62.6 -44.3 45.9 22.1 13.0 100 100 A K H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 111.9 50.5 -73.5 -36.2 46.3 25.2 11.0 101 101 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.910 107.7 55.9 -64.4 -37.3 43.3 24.6 8.7 102 102 A S H X S+ 0 0 51 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.906 107.2 48.5 -60.2 -41.5 41.3 24.0 11.9 103 103 A A H X S+ 0 0 38 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.907 110.4 51.5 -66.4 -40.6 42.3 27.5 13.1 104 104 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.904 105.9 55.1 -60.4 -44.3 41.4 29.0 9.7 105 105 A L H X S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.913 103.6 55.0 -55.7 -43.2 38.0 27.4 9.9 106 106 A D H X S+ 0 0 95 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.852 104.3 55.8 -60.8 -33.9 37.3 29.0 13.2 107 107 A G H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.937 110.4 43.3 -63.6 -48.1 38.1 32.4 11.6 108 108 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.916 115.4 49.4 -61.2 -41.9 35.5 31.8 9.0 109 109 A D H X S+ 0 0 47 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.875 110.4 51.0 -66.5 -38.1 33.0 30.5 11.6 110 110 A T H X S+ 0 0 46 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 107.4 52.6 -69.2 -43.2 33.7 33.5 13.9 111 111 A b H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.945 108.9 50.7 -53.5 -47.2 33.0 35.9 11.0 112 112 A L H X S+ 0 0 29 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.920 113.1 45.5 -59.2 -43.1 29.7 34.2 10.4 113 113 A D H < S+ 0 0 88 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.821 108.8 56.4 -68.4 -29.9 28.9 34.6 14.1 114 114 A D H < S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 114.2 39.4 -72.3 -26.5 30.1 38.2 14.1 115 115 A V H >< S+ 0 0 6 -4,-1.5 3,-1.3 -3,-0.4 -1,-0.2 0.414 91.4 91.5-102.3 -1.4 27.6 39.1 11.3 116 116 A K T 3< S+ 0 0 134 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.740 82.6 52.5 -67.5 -32.4 24.6 37.0 12.5 117 117 A R T 3 S+ 0 0 217 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.3 0.369 84.4 113.4 -88.6 0.7 23.0 39.6 14.6 118 118 A L < - 0 0 26 -3,-1.3 3,-0.1 1,-0.1 -3,-0.1 -0.555 63.5-145.0 -74.4 134.9 23.0 42.1 11.7 119 119 A R S S+ 0 0 254 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.886 90.8 17.1 -61.9 -41.0 19.6 43.0 10.3 120 120 A S S S- 0 0 101 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.998 80.5-174.5-137.2 133.6 20.9 43.2 6.7 121 121 A V - 0 0 56 -2,-0.4 2,-0.6 -3,-0.1 3,-0.0 -0.887 34.9 -97.6-133.2 153.3 24.2 41.7 5.7 122 122 A D > - 0 0 42 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.665 31.1-151.6 -70.3 118.1 26.5 41.5 2.7 123 123 A S H > S+ 0 0 78 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.810 91.5 57.2 -65.7 -32.9 25.7 38.2 1.1 124 124 A S H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.879 106.7 50.0 -68.0 -38.1 29.2 37.7 -0.4 125 125 A V H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.952 116.4 41.5 -61.5 -46.9 30.7 37.9 3.0 126 126 A V H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.948 118.6 45.2 -66.4 -44.0 28.3 35.3 4.4 127 127 A N H X S+ 0 0 84 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.906 114.0 47.6 -71.8 -44.4 28.5 33.1 1.3 128 128 A N H X S+ 0 0 32 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.851 110.9 53.2 -62.5 -36.2 32.3 33.2 1.1 129 129 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.918 110.7 45.9 -64.9 -42.8 32.5 32.5 4.8 130 130 A K H X S+ 0 0 108 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 112.7 51.5 -62.4 -43.3 30.4 29.4 4.4 131 131 A T H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.920 111.1 47.4 -61.0 -43.4 32.4 28.4 1.3 132 132 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.912 109.8 52.2 -68.8 -39.4 35.7 28.7 3.3 133 133 A K H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.928 112.9 46.1 -58.1 -44.9 34.3 26.8 6.2 134 134 A N H X S+ 0 0 30 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.905 112.1 49.8 -64.4 -44.7 33.3 24.0 3.8 135 135 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.910 110.7 50.3 -62.4 -44.0 36.7 24.0 2.0 136 136 A C H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.916 107.4 54.9 -59.7 -39.8 38.5 23.8 5.3 137 137 A G H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.916 109.4 46.8 -59.6 -41.2 36.2 20.9 6.2 138 138 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.926 111.4 51.2 -64.1 -46.1 37.3 19.1 3.0 139 139 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.808 106.5 55.5 -63.4 -32.5 41.0 19.9 3.7 140 140 A L H X S+ 0 0 35 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.910 108.3 47.2 -67.1 -39.3 40.7 18.5 7.3 141 141 A V H X S+ 0 0 21 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.953 115.6 45.9 -67.9 -43.5 39.4 15.2 6.0 142 142 A I H >X S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.7 0.948 112.4 48.7 -62.4 -50.7 42.2 15.1 3.4 143 143 A S H >< S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.851 106.9 57.6 -63.3 -34.2 45.0 16.1 5.7 144 144 A N H 3< S+ 0 0 126 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.831 106.4 50.9 -58.2 -34.1 43.8 13.5 8.2 145 145 A M H << S+ 0 0 41 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.537 83.5 107.6 -87.4 -7.2 44.2 10.8 5.6 146 146 A L S << S- 0 0 12 -4,-0.7 3,-0.1 -3,-0.7 -51,-0.0 -0.388 86.0 -86.8 -69.3 148.0 47.8 11.6 4.6 147 147 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -53,-0.5 -0.216 41.6-112.6 -55.9 145.9 50.4 9.1 5.7 148 148 A R 0 0 214 -3,-0.1 -55,-0.1 -55,-0.1 -4,-0.0 -0.711 360.0 360.0 -83.9 122.5 51.8 9.7 9.2 149 149 A N 0 0 192 -2,-0.5 -1,-0.0 -57,-0.2 -55,-0.0 0.245 360.0 360.0 15.1 360.0 55.5 10.7 8.8