==== 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 2CJ4 . COMPND 2 MOLECULE: INVERTASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR M.HOTHORN,K.SCHEFFZEK . 293 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 80.5 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 . 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 0 2 0 0 0 0 2 0 0 3 1 0 0 0 0 0 0 2 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 4 A N > 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -55.9 62.9 -17.5 11.7 2 5 A N H > + 0 0 127 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.908 360.0 42.4 -58.5 -49.3 65.4 -19.1 9.4 3 6 A L H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 114.3 51.0 -60.7 -41.7 62.4 -18.6 6.9 4 7 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 112.2 45.7 -63.0 -45.3 61.9 -15.1 8.4 5 8 A E H X S+ 0 0 98 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.920 114.7 47.5 -65.4 -42.2 65.6 -14.2 8.0 6 9 A T H X S+ 0 0 64 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.904 114.4 47.1 -62.8 -43.8 65.7 -15.6 4.4 7 10 A T H >< S+ 0 0 4 -4,-2.7 3,-0.7 -5,-0.2 -2,-0.2 0.949 113.3 47.4 -64.8 -47.5 62.6 -13.8 3.5 8 11 A a H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 5,-0.2 0.799 103.3 61.7 -67.6 -31.4 63.7 -10.5 5.0 9 12 A K H 3< S+ 0 0 151 -4,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.833 99.5 58.4 -60.5 -32.1 67.1 -10.7 3.3 10 13 A N T << S+ 0 0 91 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.1 -0.252 97.4 78.9 -94.7 42.8 65.3 -10.6 -0.0 11 14 A T S < S- 0 0 20 -3,-0.9 3,-0.3 -2,-0.3 127,-0.1 -0.899 91.7-106.5-139.2 165.1 63.6 -7.3 0.8 12 15 A P S S+ 0 0 98 0, 0.0 2,-0.2 0, 0.0 126,-0.1 0.544 110.3 36.4 -73.4 -1.1 64.8 -3.6 0.6 13 16 A N > - 0 0 51 -5,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.704 63.4-177.6-156.1 91.7 65.0 -3.3 4.4 14 17 A Y H > S+ 0 0 82 -3,-0.3 4,-3.0 -2,-0.2 5,-0.1 0.913 83.3 43.8 -59.2 -52.2 66.2 -6.4 6.4 15 18 A Q H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.847 113.6 50.3 -71.3 -34.2 65.9 -5.1 9.9 16 19 A L H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 113.5 46.7 -65.2 -45.4 62.5 -3.4 9.4 17 20 A a H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.954 113.8 49.2 -59.3 -49.0 61.2 -6.6 7.9 18 21 A L H X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.926 113.2 44.7 -54.4 -52.5 62.7 -8.7 10.8 19 22 A K H X S+ 0 0 158 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.907 115.3 48.6 -62.9 -41.4 61.3 -6.5 13.6 20 23 A T H < S+ 0 0 24 -4,-2.2 4,-0.3 -5,-0.2 3,-0.3 0.932 116.2 41.1 -65.6 -49.5 57.9 -6.3 11.9 21 24 A L H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 6,-0.4 0.914 113.7 51.5 -68.9 -42.7 57.6 -10.1 11.3 22 25 A L H 3< S+ 0 0 87 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.696 97.1 68.7 -72.7 -17.5 59.0 -11.2 14.7 23 26 A S T 3< S+ 0 0 98 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.3 0.614 93.2 70.1 -70.5 -13.4 56.6 -8.9 16.5 24 27 A D S X S- 0 0 41 -3,-1.6 3,-2.4 -4,-0.3 4,-0.3 -0.937 75.9-145.7-113.5 121.7 53.8 -11.2 15.4 25 28 A K G > S+ 0 0 192 -2,-0.5 3,-1.0 1,-0.3 4,-0.5 0.726 94.5 72.9 -55.7 -25.9 53.5 -14.7 16.9 26 29 A R G 3 S+ 0 0 99 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.662 84.8 69.0 -65.1 -16.3 52.2 -16.1 13.6 27 30 A S G X S+ 0 0 7 -3,-2.4 3,-1.6 -6,-0.4 -1,-0.2 0.847 85.2 66.6 -72.5 -31.5 55.7 -15.7 12.1 28 31 A A T < S+ 0 0 69 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.796 120.9 20.6 -58.5 -36.7 57.2 -18.5 14.3 29 32 A T T 3 S+ 0 0 130 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 -0.052 104.0 130.4-121.0 29.7 55.1 -21.1 12.5 30 33 A G < - 0 0 21 -3,-1.6 2,-0.3 -5,-0.1 -3,-0.1 -0.139 45.0-151.6 -71.8 167.1 54.5 -18.9 9.4 31 34 A D > - 0 0 93 -28,-0.0 4,-2.1 -27,-0.0 5,-0.2 -0.731 47.4 -86.7-117.8-174.4 54.9 -19.8 5.8 32 35 A I H > S+ 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.885 129.9 54.2 -64.2 -37.6 55.7 -17.0 3.2 33 36 A T H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 107.2 51.0 -60.5 -42.4 52.0 -16.2 2.8 34 37 A T H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 109.0 51.6 -57.8 -43.3 51.6 -15.7 6.5 35 38 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 109.0 50.1 -62.9 -41.4 54.6 -13.4 6.5 36 39 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.907 110.7 50.3 -63.0 -38.7 53.1 -11.3 3.7 37 40 A L H X S+ 0 0 30 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.870 108.1 51.9 -69.4 -37.3 49.8 -11.1 5.7 38 41 A I H X S+ 0 0 5 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.926 110.3 50.2 -60.0 -42.6 51.7 -10.0 8.8 39 42 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.933 107.5 52.5 -62.6 -45.1 53.3 -7.3 6.6 40 43 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.912 108.8 51.0 -57.4 -45.2 50.0 -6.1 5.2 41 44 A D H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.874 108.2 52.0 -59.8 -39.2 48.7 -5.8 8.8 42 45 A A H X S+ 0 0 24 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.907 111.1 47.3 -62.8 -42.7 51.8 -3.7 9.7 43 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.917 110.7 52.7 -63.3 -45.8 51.1 -1.4 6.7 44 47 A K H X S+ 0 0 79 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.902 106.7 53.0 -58.4 -44.3 47.4 -1.2 7.7 45 48 A A H X S+ 0 0 60 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.943 113.5 41.9 -55.6 -50.6 48.4 -0.1 11.3 46 49 A K H X S+ 0 0 76 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.875 113.5 53.0 -64.9 -41.3 50.5 2.7 10.0 47 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.877 108.6 49.9 -64.2 -41.1 48.0 3.8 7.4 48 51 A N H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.908 110.3 50.9 -63.1 -39.6 45.2 4.0 10.0 49 52 A Q H X S+ 0 0 98 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.936 110.7 49.4 -60.6 -45.3 47.6 6.1 12.2 50 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 109.6 51.4 -57.6 -49.3 48.2 8.4 9.2 51 54 A A H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 112.1 45.9 -58.0 -42.3 44.4 8.7 8.4 52 55 A V H X S+ 0 0 102 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.895 111.5 52.1 -69.6 -40.0 43.6 9.7 12.0 53 56 A T H X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.912 109.1 50.8 -60.4 -43.2 46.5 12.2 12.0 54 57 A I H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.933 110.4 49.1 -59.3 -47.0 45.2 13.7 8.8 55 58 A S H X S+ 0 0 56 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.920 110.8 49.9 -61.2 -45.2 41.7 14.1 10.4 56 59 A K H < S+ 0 0 119 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.952 113.1 46.6 -56.6 -51.7 43.2 15.7 13.5 57 60 A L H >< S+ 0 0 34 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.912 110.2 52.5 -57.8 -44.7 45.2 18.2 11.5 58 61 A R H 3< S+ 0 0 106 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.766 113.7 44.2 -64.5 -27.4 42.2 19.0 9.2 59 62 A H T 3< S+ 0 0 151 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.275 100.5 73.8 -99.3 10.5 40.1 19.8 12.3 60 63 A S S < S- 0 0 76 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 -0.265 115.5 -91.4-124.3 43.6 42.8 21.8 14.2 61 64 A N - 0 0 156 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.936 60.5-164.9 49.7 59.3 42.9 25.1 12.3 62 65 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.261 30.2 -78.2 -74.1 164.2 45.6 24.0 9.8 63 66 A P > - 0 0 68 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.317 41.2-123.1 -53.2 139.6 47.6 26.3 7.6 64 67 A A G > S+ 0 0 93 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.866 111.0 60.0 -53.3 -41.5 45.5 27.4 4.5 65 68 A A G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.604 96.6 61.6 -68.8 -10.3 48.2 26.0 2.2 66 69 A W G <> S+ 0 0 56 -3,-1.9 4,-3.0 1,-0.1 5,-0.3 0.487 78.2 93.3 -88.7 -0.5 47.7 22.5 3.7 67 70 A K H <> S+ 0 0 157 -3,-1.9 4,-2.0 -4,-0.3 5,-0.2 0.942 92.4 34.4 -58.0 -55.2 44.0 22.3 2.6 68 71 A G H > S+ 0 0 32 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.939 118.2 52.2 -64.9 -51.9 44.7 20.6 -0.7 69 72 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.925 113.8 43.8 -50.5 -46.1 47.6 18.5 0.6 70 73 A L H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.865 113.3 50.9 -72.0 -35.9 45.6 17.2 3.5 71 74 A K H X S+ 0 0 100 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.930 114.8 43.1 -64.2 -43.4 42.4 16.6 1.4 72 75 A N H X S+ 0 0 33 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.875 112.7 53.0 -72.7 -35.2 44.4 14.6 -1.1 73 76 A b H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.910 106.8 53.0 -61.5 -41.4 46.3 12.8 1.6 74 77 A A H X S+ 0 0 26 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.924 111.4 46.3 -59.0 -43.4 43.0 11.8 3.2 75 78 A F H X S+ 0 0 26 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 110.0 54.2 -63.6 -45.1 41.9 10.4 -0.2 76 79 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.907 112.1 42.8 -56.3 -46.7 45.3 8.6 -0.6 77 80 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.802 109.8 57.5 -73.0 -30.2 44.9 6.8 2.8 78 81 A K H X S+ 0 0 126 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.915 107.7 48.1 -64.6 -39.2 41.3 6.1 2.1 79 82 A V H X>S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 5,-2.2 0.952 113.1 48.5 -63.6 -47.8 42.4 4.2 -1.1 80 83 A I H <>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 -2,-0.2 0.951 119.3 37.6 -57.7 -49.3 45.0 2.3 0.9 81 84 A L H <5S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.754 125.1 34.7 -77.8 -32.2 42.6 1.3 3.7 82 85 A T H <5S+ 0 0 92 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.658 135.7 9.2-100.1 -18.0 39.5 0.6 1.7 83 86 A A T X5S+ 0 0 21 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.692 121.3 46.8-123.7 -63.5 40.9 -0.8 -1.5 84 87 A S H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.908 111.0 52.0 -56.9 -41.0 41.7 -5.3 1.6 87 90 A E H X S+ 0 0 25 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.925 110.5 48.3 -57.9 -47.8 42.5 -6.5 -1.9 88 91 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.914 111.8 49.1 -59.5 -45.1 45.9 -7.8 -0.8 89 92 A I H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.952 115.0 43.6 -63.1 -48.9 44.5 -9.6 2.2 90 93 A E H X S+ 0 0 69 -4,-2.5 4,-2.9 -5,-0.2 5,-0.4 0.913 115.3 48.2 -61.4 -46.0 41.7 -11.3 0.1 91 94 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.933 114.9 44.7 -64.1 -43.9 44.1 -12.2 -2.8 92 95 A L H < S+ 0 0 17 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.898 117.5 46.6 -65.0 -39.0 46.8 -13.6 -0.4 93 96 A T H < S- 0 0 89 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.904 140.3 -10.3 -74.2 -42.3 44.2 -15.5 1.5 94 97 A K H < S+ 0 0 127 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.307 118.8 47.5-146.8 18.5 42.1 -17.1 -1.2 95 98 A G S < S- 0 0 30 -4,-2.1 -4,-0.1 -5,-0.4 124,-0.1 -0.326 92.6 -38.7-138.8-150.7 43.1 -15.6 -4.6 96 99 A D >> - 0 0 22 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.798 41.2-145.9 -94.3 117.1 45.7 -14.6 -7.1 97 100 A P H >> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.689 91.0 78.6 -62.4 -16.3 48.8 -13.1 -5.4 98 101 A K H 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.899 91.2 54.0 -53.8 -38.5 49.3 -10.7 -8.4 99 102 A F H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.804 105.2 52.9 -69.4 -28.5 46.4 -8.6 -7.0 100 103 A A H < S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.962 110.4 48.0 -62.4 -50.0 51.0 12.2 -0.0 115 118 A E H >< S+ 0 0 41 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.913 106.6 57.9 -56.9 -41.5 54.5 13.1 1.2 116 119 A E H >< S+ 0 0 97 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.673 88.1 73.8 -69.6 -18.1 55.3 14.9 -2.0 117 120 A Y T << S+ 0 0 52 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.792 96.7 52.5 -60.9 -27.4 52.4 17.3 -1.6 118 121 A F T X S+ 0 0 7 -3,-1.6 3,-2.6 -4,-0.5 -1,-0.2 0.279 78.7 145.4 -92.5 11.5 54.5 18.9 1.1 119 122 A K T < S+ 0 0 182 -3,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.159 70.3 20.0 -54.1 134.5 57.6 19.4 -1.1 120 123 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.067 123.2 62.2 92.9 -22.9 59.4 22.6 -0.2 121 124 A S S < S- 0 0 87 -3,-2.6 2,-0.3 1,-0.1 -1,-0.3 -0.616 99.4 -66.9-126.1 178.5 57.8 22.8 3.2 122 125 A K - 0 0 167 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.549 40.9-144.0 -67.4 131.0 57.5 20.9 6.5 123 126 A S > - 0 0 11 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.894 9.2-152.4 -97.6 109.7 55.7 17.6 6.1 124 127 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.739 90.1 22.9 -63.6 -24.8 53.7 17.2 9.3 125 128 A F T >> S+ 0 0 11 1,-0.1 4,-1.9 2,-0.1 3,-0.6 -0.195 79.0 141.1-130.4 40.2 53.6 13.3 9.4 126 129 A S H <> + 0 0 35 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.872 68.5 55.4 -50.0 -49.1 56.6 12.6 7.2 127 130 A A H 3> S+ 0 0 79 1,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.883 107.8 50.0 -60.9 -36.2 57.8 9.6 9.3 128 131 A L H <> S+ 0 0 17 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.931 110.7 47.7 -66.2 -45.9 54.4 7.9 8.9 129 132 A N H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.902 113.1 49.9 -60.1 -42.6 54.3 8.4 5.1 130 133 A I H X S+ 0 0 73 -4,-2.7 4,-3.2 -5,-0.2 5,-0.2 0.935 110.5 50.2 -63.1 -42.8 57.8 7.1 5.0 131 134 A A H X S+ 0 0 20 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.932 111.0 47.7 -60.0 -46.7 56.9 4.0 7.1 132 135 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.923 115.4 46.2 -62.0 -44.0 53.9 3.2 4.9 133 136 A H H X S+ 0 0 42 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.943 115.8 44.6 -61.2 -51.0 56.0 3.5 1.8 134 137 A E H X S+ 0 0 86 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.922 114.5 47.7 -64.0 -43.7 58.9 1.5 3.2 135 138 A L H X S+ 0 0 7 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.891 110.4 53.2 -67.0 -35.9 56.7 -1.3 4.6 136 139 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.889 107.8 50.9 -64.1 -39.6 54.8 -1.5 1.3 137 140 A D H X S+ 0 0 36 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.888 110.5 49.2 -66.6 -35.6 58.1 -1.9 -0.5 138 141 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.956 111.2 50.4 -65.5 -45.8 59.0 -4.7 1.9 139 142 A G H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.887 106.4 54.3 -58.8 -41.8 55.5 -6.3 1.3 140 143 A R H X S+ 0 0 76 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.911 110.8 47.3 -54.6 -46.8 56.0 -6.1 -2.5 141 144 A A H X S+ 0 0 4 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.888 111.8 48.3 -65.8 -41.1 59.2 -8.0 -2.1 142 145 A I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.960 112.4 49.4 -65.1 -45.9 57.7 -10.7 0.2 143 146 A V H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.3 4,-0.4 0.836 95.5 72.1 -64.1 -29.9 54.7 -11.2 -2.2 144 147 A R H >< S+ 0 0 139 -4,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.812 86.9 66.8 -57.1 -28.3 57.1 -11.5 -5.2 145 148 A N T << S+ 0 0 82 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.753 99.6 50.6 -59.8 -26.2 58.0 -14.9 -3.7 146 149 A L T < 0 0 51 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.466 360.0 360.0 -93.2 -5.1 54.5 -16.2 -4.4 147 150 A L < 0 0 109 -3,-1.3 -1,-0.1 -4,-0.4 -3,-0.0 -0.519 360.0 360.0 -84.5 360.0 54.3 -15.1 -8.1 148 !* 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 0.0 149 5 B N > 0 0 149 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 41.4 41.6 19.4 -32.6 150 6 B L H > + 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.866 360.0 53.1 -64.4 -38.1 42.1 18.1 -29.1 151 7 B V H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.961 112.5 44.6 -62.1 -47.8 40.5 14.7 -29.8 152 8 B E H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.941 116.7 45.9 -62.2 -44.8 42.8 14.0 -32.7 153 9 B T H X S+ 0 0 80 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.921 115.4 45.9 -66.6 -44.4 45.9 15.3 -30.9 154 10 B T H < S+ 0 0 3 -4,-2.9 3,-0.3 -5,-0.2 -1,-0.2 0.899 113.2 49.4 -63.0 -49.8 45.0 13.3 -27.7 155 11 B c H >< S+ 0 0 0 -4,-2.9 3,-0.8 -5,-0.3 5,-0.2 0.844 103.3 59.2 -63.0 -36.4 44.2 10.1 -29.6 156 12 B K H 3< S+ 0 0 167 -4,-2.2 2,-0.7 1,-0.3 -1,-0.2 0.867 100.6 59.7 -57.4 -35.5 47.4 10.2 -31.6 157 13 B N T 3< S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 -0.268 96.2 79.6 -88.7 41.6 49.3 10.1 -28.2 158 14 B T S < S- 0 0 20 -3,-0.8 3,-0.3 -2,-0.7 127,-0.1 -0.940 90.6-107.5-138.9 166.0 47.7 6.8 -27.2 159 15 B P S S+ 0 0 92 0, 0.0 2,-0.2 0, 0.0 126,-0.1 0.560 111.1 37.7 -71.2 -6.6 48.4 3.1 -28.0 160 16 B N > + 0 0 51 -5,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.671 61.6 178.2-151.3 87.4 45.3 2.8 -30.1 161 17 B Y H > S+ 0 0 92 -3,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.912 83.7 46.1 -55.8 -52.6 44.3 5.8 -32.2 162 18 B Q H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.900 113.5 47.5 -64.1 -42.8 41.3 4.3 -33.9 163 19 B L H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.925 114.0 48.4 -63.3 -44.6 39.8 2.9 -30.7 164 20 B c H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.950 112.0 50.2 -57.9 -50.5 40.4 6.2 -28.9 165 21 B L H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.931 114.2 42.0 -57.9 -50.0 38.8 8.2 -31.7 166 22 B K H X S+ 0 0 134 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.864 115.4 50.7 -69.8 -33.8 35.7 6.0 -32.0 167 23 B T H < S+ 0 0 21 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.935 117.5 38.1 -68.5 -46.7 35.3 5.8 -28.2 168 24 B L H >< S+ 0 0 0 -4,-2.8 3,-1.5 -5,-0.2 6,-0.4 0.947 116.2 50.0 -71.7 -45.0 35.6 9.6 -27.6 169 25 B L H 3< S+ 0 0 102 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.620 100.8 64.0 -75.6 -10.7 33.6 10.8 -30.7 170 26 B S T 3< S+ 0 0 102 -4,-0.9 2,-0.5 -5,-0.2 -1,-0.3 0.670 93.2 76.0 -82.3 -11.8 30.7 8.5 -29.9 171 27 B D S X S- 0 0 40 -3,-1.5 3,-2.3 -4,-0.4 4,-0.3 -0.870 80.2-139.6-104.2 124.4 30.2 10.5 -26.7 172 28 B K G > S+ 0 0 202 -2,-0.5 3,-1.4 1,-0.3 4,-0.3 0.770 96.9 67.7 -51.5 -33.4 28.6 13.9 -27.1 173 29 B R G 3> S+ 0 0 102 1,-0.3 4,-0.8 2,-0.1 3,-0.4 0.571 85.3 71.6 -66.6 -13.9 30.9 15.5 -24.6 174 30 B S G <4 S+ 0 0 8 -3,-2.3 -1,-0.3 -6,-0.4 -23,-0.2 0.662 74.8 79.9 -78.3 -17.7 34.0 15.1 -26.8 175 31 B A T <4 S+ 0 0 88 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.902 122.8 1.5 -60.4 -38.4 33.0 17.8 -29.3 176 32 B T T 4 S+ 0 0 140 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.335 99.6 135.1-125.3 4.9 34.3 20.5 -27.0 177 33 B G < - 0 0 9 -4,-0.8 -27,-0.1 -5,-0.1 2,-0.0 -0.249 47.7-134.8 -64.4 136.3 35.6 18.5 -24.1 178 34 B D > - 0 0 92 1,-0.1 4,-2.4 -28,-0.0 5,-0.2 -0.219 41.4 -85.8 -74.5 177.4 39.0 19.3 -22.5 179 35 B I H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.880 129.3 54.4 -60.9 -36.6 41.4 16.6 -21.7 180 36 B T H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 109.4 48.4 -61.7 -45.0 39.9 15.8 -18.3 181 37 B T H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 109.5 51.9 -59.3 -45.5 36.5 15.4 -19.9 182 38 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 109.2 51.2 -59.6 -39.1 38.0 13.0 -22.6 183 39 B A H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 109.6 50.0 -60.8 -44.1 39.6 11.0 -19.7 184 40 B L H X S+ 0 0 30 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.865 107.8 53.6 -63.8 -38.5 36.1 10.8 -18.0 185 41 B I H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.911 109.4 48.6 -58.7 -47.0 34.6 9.6 -21.3 186 42 B M H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 108.2 53.2 -62.3 -42.8 37.2 6.9 -21.5 187 43 B V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.907 107.6 52.3 -59.9 -40.2 36.5 5.8 -17.9 188 44 B D H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 108.8 50.2 -63.2 -38.3 32.8 5.5 -18.7 189 45 B A H X S+ 0 0 24 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.907 111.2 47.9 -65.7 -40.7 33.6 3.3 -21.6 190 46 B I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.942 111.0 52.7 -63.3 -46.1 35.8 1.1 -19.4 191 47 B K H X S+ 0 0 78 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.899 106.1 52.6 -58.5 -44.3 33.0 0.9 -16.8 192 48 B A H X S+ 0 0 46 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.948 114.1 41.8 -59.3 -46.3 30.4 -0.2 -19.4 193 49 B K H X S+ 0 0 68 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.873 113.5 53.0 -69.8 -37.9 32.5 -3.1 -20.6 194 50 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.895 108.6 50.0 -64.8 -41.6 33.6 -4.0 -17.1 195 51 B N H X S+ 0 0 76 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.912 110.6 50.4 -62.2 -40.8 30.0 -4.2 -15.9 196 52 B Q H X S+ 0 0 93 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.917 110.7 49.5 -63.5 -42.0 29.2 -6.4 -18.9 197 53 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.937 110.0 51.0 -60.6 -45.6 32.2 -8.7 -18.0 198 54 B A H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.903 112.5 44.9 -61.3 -43.1 31.0 -8.9 -14.4 199 55 B V H X S+ 0 0 100 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.898 112.1 52.4 -70.0 -38.6 27.5 -9.9 -15.3 200 56 B T H X S+ 0 0 49 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.926 108.3 51.4 -62.1 -43.4 28.8 -12.4 -17.9 201 57 B I H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.941 109.9 50.0 -60.1 -46.0 31.0 -14.0 -15.2 202 58 B S H X S+ 0 0 59 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.930 110.4 50.0 -57.2 -47.6 28.0 -14.3 -12.9 203 59 B K H < S+ 0 0 140 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.934 112.5 46.5 -56.0 -48.3 25.9 -15.9 -15.7 204 60 B L H >< S+ 0 0 40 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.905 110.6 52.2 -64.4 -41.1 28.7 -18.4 -16.5 205 61 B R H 3< S+ 0 0 96 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.786 113.4 45.1 -65.9 -28.0 29.3 -19.3 -12.8 206 62 B H T 3< S+ 0 0 155 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.278 100.3 73.5 -99.2 10.2 25.5 -20.0 -12.4 207 63 B S S < S- 0 0 59 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 -0.315 116.9 -86.8-123.7 49.0 25.1 -22.0 -15.6 208 64 B N - 0 0 160 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.952 60.9-161.7 49.0 58.1 26.8 -25.4 -14.8 209 65 B P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.296 25.2 -89.7 -67.9 156.2 30.2 -24.3 -15.8 210 66 B P > - 0 0 66 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.320 38.5-114.6 -61.8 146.5 33.1 -26.7 -16.6 211 67 B A G > S+ 0 0 92 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.859 113.7 58.3 -53.2 -42.6 35.1 -27.7 -13.6 212 68 B A G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.545 96.9 62.6 -72.4 -5.5 38.3 -26.1 -14.9 213 69 B W G <> S+ 0 0 37 -3,-1.9 4,-2.9 2,-0.1 5,-0.4 0.481 79.4 91.0 -88.2 -5.7 36.5 -22.7 -15.1 214 70 B K H <> S+ 0 0 150 -3,-1.8 4,-2.1 -4,-0.3 5,-0.2 0.961 93.7 32.5 -59.5 -57.7 36.0 -22.6 -11.3 215 71 B G H > S+ 0 0 36 -4,-0.3 4,-2.8 2,-0.2 5,-0.3 0.957 119.6 52.7 -63.6 -50.5 39.2 -20.8 -10.3 216 72 B P H > S+ 0 0 23 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.932 113.2 43.6 -51.4 -46.5 39.4 -18.7 -13.4 217 73 B L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.884 113.5 50.5 -70.6 -38.5 35.8 -17.4 -13.0 218 74 B K H X S+ 0 0 85 -4,-2.1 4,-1.7 -5,-0.4 -1,-0.2 0.916 115.3 42.7 -61.2 -45.0 36.2 -16.8 -9.3 219 75 B N H X S+ 0 0 33 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.871 112.6 53.2 -72.0 -37.0 39.4 -14.8 -9.8 220 76 B d H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.897 106.9 53.5 -58.9 -43.0 37.9 -13.0 -12.8 221 77 B A H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.920 110.9 46.4 -57.0 -44.5 34.9 -12.0 -10.6 222 78 B F H X S+ 0 0 24 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.923 109.7 54.3 -63.1 -46.7 37.4 -10.6 -8.0 223 79 B S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 111.6 43.2 -52.9 -51.8 39.3 -8.8 -10.8 224 80 B Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.823 109.7 57.7 -68.2 -31.8 36.2 -7.0 -12.1 225 81 B K H X S+ 0 0 127 -4,-1.9 4,-2.6 -5,-0.2 5,-0.4 0.916 107.3 48.1 -62.0 -41.9 35.0 -6.2 -8.5 226 82 B V H X>S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 5,-2.1 0.956 113.5 48.0 -61.5 -49.3 38.3 -4.4 -8.0 227 83 B I H <>S+ 0 0 0 -4,-2.2 5,-2.8 3,-0.2 -2,-0.2 0.949 119.3 37.9 -55.8 -49.1 37.9 -2.5 -11.2 228 84 B L H <5S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.799 125.5 34.4 -79.5 -30.8 34.3 -1.6 -10.5 229 85 B T H <5S+ 0 0 93 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.661 136.1 9.5 -99.4 -18.5 34.5 -0.8 -6.8 230 86 B A T X5S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.4 5,-0.2 0.702 120.9 46.3-124.5 -65.0 37.9 0.6 -6.6 231 87 B S H > S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.930 111.5 50.9 -56.3 -40.5 35.6 5.1 -8.8 234 90 B E H X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.926 111.1 48.8 -60.2 -45.5 39.1 6.2 -7.7 235 91 B A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.900 111.9 47.0 -62.1 -45.4 39.7 7.5 -11.2 236 92 B I H X S+ 0 0 44 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.952 115.4 45.7 -65.7 -46.9 36.5 9.4 -11.5 237 93 B E H X S+ 0 0 75 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.925 114.8 47.1 -58.5 -47.0 36.9 11.0 -8.1 238 94 B A H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.905 114.6 45.4 -65.6 -45.1 40.5 11.9 -8.7 239 95 B L H < S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.898 117.1 46.2 -62.3 -40.8 39.9 13.4 -12.2 240 96 B T H < S- 0 0 89 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.878 139.9 -9.2 -75.2 -40.9 36.9 15.3 -10.9 241 97 B K H < S+ 0 0 130 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.334 118.9 41.0-148.5 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