==== 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 TRANSFERASE 29-AUG-00 1FP1 . COMPND 2 MOLECULE: ISOLIQUIRITIGENIN 2'-O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR C.ZUBIETA,R.A.DIXON,J.P.NOEL . 341 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 7.9 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 . 2 0.6 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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 3 1 0 1 1 1 0 1 2 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 3 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 1 0 0 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 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 19 D Q 0 0 203 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.7 33.3 8.3 56.7 2 20 D T > - 0 0 71 1,-0.1 4,-3.6 0, 0.0 5,-0.2 -0.460 360.0-121.1 -83.0 143.2 36.1 7.3 58.3 3 21 D E H > S+ 0 0 157 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.834 118.5 56.7 -51.4 -43.0 37.8 4.4 57.7 4 22 D D H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 111.1 44.0 -61.2 -42.2 37.1 3.6 61.3 5 23 D S H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.900 112.4 51.9 -69.2 -41.2 33.4 4.0 60.7 6 24 D A H X S+ 0 0 30 -4,-3.6 4,-2.1 2,-0.2 -2,-0.2 0.914 112.0 45.4 -62.5 -44.9 33.5 2.0 57.4 7 25 D C H X S+ 0 0 64 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.916 110.2 54.4 -67.3 -40.8 35.3 -1.0 59.0 8 26 D L H X S+ 0 0 107 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.931 109.9 47.9 -57.0 -44.9 32.9 -0.9 62.0 9 27 D S H X S+ 0 0 60 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.893 109.0 53.4 -62.7 -39.9 30.0 -1.1 59.6 10 28 D A H < S+ 0 0 51 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.853 108.8 50.2 -64.1 -33.3 31.6 -4.0 57.7 11 29 D M H >X S+ 0 0 113 -4,-2.1 4,-0.8 2,-0.2 3,-0.7 0.900 111.8 46.7 -71.7 -39.3 32.0 -5.8 61.0 12 30 D V H >X S+ 0 0 63 -4,-2.1 4,-0.9 1,-0.2 3,-0.6 0.925 113.1 50.9 -65.4 -42.9 28.4 -5.3 61.9 13 31 D L H 3< S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.499 112.1 45.5 -75.5 -4.8 27.4 -6.4 58.4 14 32 D T H <4 S+ 0 0 115 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.490 118.9 38.9-112.9 -7.4 29.4 -9.6 58.5 15 33 D T H X< S+ 0 0 84 -4,-0.8 3,-1.7 -3,-0.6 -2,-0.2 0.369 78.6 107.8-121.7 3.5 28.4 -10.8 61.9 16 34 D N T 3< + 0 0 67 -4,-0.9 3,-0.4 1,-0.3 -1,-0.1 0.350 50.3 92.7 -70.8 11.1 24.7 -9.9 62.1 17 35 D L T 3> S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.800 79.4 67.5 -68.5 -23.5 23.5 -13.5 61.8 18 36 D V H <> S+ 0 0 86 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.878 88.4 62.5 -63.7 -37.7 23.6 -13.2 65.6 19 37 D Y H > S+ 0 0 47 -3,-0.4 4,-3.3 1,-0.2 5,-0.2 0.946 104.5 44.4 -56.2 -53.5 20.7 -10.7 65.8 20 38 D P H > S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.859 113.0 54.4 -60.5 -32.1 18.1 -13.0 64.2 21 39 D A H X S+ 0 0 59 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.936 112.4 42.0 -65.2 -46.6 19.4 -15.8 66.5 22 40 D V H X S+ 0 0 25 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.926 114.8 50.6 -66.8 -44.3 19.0 -13.7 69.6 23 41 D L H X S+ 0 0 12 -4,-3.3 4,-2.4 -5,-0.2 -2,-0.2 0.929 108.3 52.8 -58.5 -45.8 15.6 -12.4 68.4 24 42 D N H X S+ 0 0 36 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.879 111.1 47.1 -56.7 -41.8 14.4 -15.9 67.7 25 43 D A H X S+ 0 0 38 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.907 109.9 52.6 -67.9 -42.4 15.3 -16.9 71.3 26 44 D A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 6,-0.4 0.885 109.6 49.8 -61.1 -39.2 13.7 -13.8 72.8 27 45 D I H ><5S+ 0 0 13 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.943 110.9 47.5 -65.8 -48.2 10.4 -14.7 71.0 28 46 D D H 3<5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.746 111.9 51.4 -65.4 -23.8 10.4 -18.3 72.2 29 47 D L T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.336 109.3-129.0 -93.1 4.4 11.1 -17.1 75.7 30 48 D N T <>5 + 0 0 82 -3,-1.7 4,-2.5 -5,-0.1 -3,-0.2 0.765 55.1 151.5 53.1 33.4 8.2 -14.7 75.4 31 49 D L H >< + 0 0 1 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 0.848 68.6 50.1 -61.8 -36.8 10.4 -11.8 76.5 32 50 D F H > S+ 0 0 3 -6,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.910 111.0 47.8 -70.4 -41.2 8.4 -9.2 74.6 33 51 D E H > S+ 0 0 54 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.941 112.2 52.0 -62.8 -44.2 5.0 -10.4 76.0 34 52 D I H >< S+ 0 0 22 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.936 111.0 45.2 -57.0 -50.0 6.6 -10.4 79.4 35 53 D I H >< S+ 0 0 7 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.903 108.9 57.4 -62.2 -39.9 7.8 -6.8 79.1 36 54 D A H 3< S+ 0 0 43 -4,-2.5 6,-0.3 1,-0.3 -1,-0.3 0.731 102.1 57.4 -63.3 -21.9 4.4 -5.8 77.6 37 55 D K T << S+ 0 0 130 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.303 71.1 147.1 -93.7 11.3 2.7 -7.0 80.8 38 56 D A < - 0 0 12 -3,-1.8 5,-0.3 5,-0.2 4,-0.2 -0.238 57.2-121.0 -48.6 125.8 4.7 -4.8 83.2 39 57 D T S S+ 0 0 132 2,-0.1 -1,-0.1 3,-0.1 3,-0.0 0.892 102.9 55.4 -37.7 -72.5 2.3 -4.1 86.0 40 58 D P S > S- 0 0 77 0, 0.0 3,-3.5 0, 0.0 -2,-0.1 -0.550 111.7-104.8 -67.9 117.9 2.3 -0.3 85.7 41 59 D P T 3 S+ 0 0 131 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.135 104.5 7.3 -43.7 125.5 1.3 0.1 82.0 42 60 D G T 3 S+ 0 0 69 1,-0.3 -3,-0.1 -6,-0.3 -5,-0.1 0.406 94.0 148.7 80.8 -4.2 4.4 1.1 80.1 43 61 D A < - 0 0 32 -3,-3.5 -1,-0.3 -5,-0.3 -5,-0.2 -0.329 46.9-120.0 -62.6 144.8 6.6 0.5 83.2 44 62 D F - 0 0 94 -3,-0.1 2,-0.4 53,-0.1 53,-0.2 -0.386 23.8-142.7 -82.5 164.9 10.1 -0.6 82.3 45 63 D M B -A 96 0A 10 51,-2.6 51,-2.9 -2,-0.1 -10,-0.0 -0.992 3.2-136.3-134.7 139.5 11.5 -3.9 83.6 46 64 D S > - 0 0 2 -2,-0.4 4,-2.3 49,-0.3 5,-0.2 -0.464 35.4-105.7 -85.3 162.5 14.9 -5.0 84.8 47 65 D P H > S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.859 121.9 55.5 -55.7 -36.6 16.5 -8.4 83.7 48 66 D S H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.911 107.2 48.2 -63.9 -43.6 15.7 -9.8 87.1 49 67 D E H 4 S+ 0 0 61 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.943 114.2 46.2 -62.2 -47.7 12.1 -8.9 86.9 50 68 D I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.906 111.8 52.0 -60.9 -42.8 11.8 -10.5 83.4 51 69 D A H >< S+ 0 0 3 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.871 102.0 59.7 -61.6 -37.8 13.7 -13.5 84.6 52 70 D S T 3< S+ 0 0 64 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.643 101.5 57.1 -66.4 -13.5 11.3 -13.9 87.5 53 71 D K T < S+ 0 0 135 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.541 89.9 89.0 -94.3 -9.3 8.6 -14.3 84.8 54 72 D L S < S- 0 0 12 -3,-1.6 5,-0.1 -4,-0.4 -24,-0.0 -0.370 99.4 -65.1 -82.1 167.2 10.2 -17.2 83.1 55 73 D P > - 0 0 77 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.216 45.0-122.0 -53.8 139.6 9.5 -20.8 84.1 56 74 D A G > S+ 0 0 86 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.869 111.2 62.7 -49.2 -42.4 10.7 -21.7 87.6 57 75 D S G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.510 101.8 51.9 -64.1 -5.5 12.9 -24.5 86.2 58 76 D T G < S+ 0 0 49 -3,-2.5 2,-1.6 -7,-0.1 -1,-0.3 0.473 79.6 105.0-109.6 -4.8 14.9 -21.9 84.2 59 77 D Q < + 0 0 89 -3,-1.6 2,-0.1 -4,-0.5 -1,-0.1 -0.527 41.8 155.5 -86.0 81.1 15.8 -19.5 87.0 60 78 D H > - 0 0 78 -2,-1.6 3,-1.8 1,-0.1 -2,-0.0 -0.458 59.6 -92.5 -94.0 171.7 19.4 -20.1 87.9 61 79 D S T 3 S+ 0 0 119 1,-0.3 4,-0.3 -2,-0.1 -1,-0.1 0.798 124.3 45.0 -54.4 -33.9 21.7 -17.5 89.5 62 80 D D T 3> S+ 0 0 55 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.346 82.3 101.4 -95.9 7.1 23.0 -16.2 86.2 63 81 D L H <> S+ 0 0 13 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.936 80.7 49.0 -57.6 -52.5 19.7 -16.0 84.4 64 82 D P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.905 111.0 51.6 -54.7 -42.6 19.2 -12.2 84.8 65 83 D N H > S+ 0 0 86 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.918 110.8 47.7 -60.3 -45.2 22.7 -11.5 83.5 66 84 D R H X S+ 0 0 127 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.885 111.5 49.3 -65.4 -41.2 22.2 -13.7 80.4 67 85 D L H X S+ 0 0 4 -4,-2.5 4,-3.3 1,-0.2 3,-0.4 0.919 108.0 55.5 -64.7 -41.4 18.9 -12.0 79.6 68 86 D D H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.867 103.2 54.8 -58.3 -39.1 20.5 -8.6 80.0 69 87 D R H X S+ 0 0 190 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.869 113.7 41.5 -64.2 -35.3 23.1 -9.5 77.4 70 88 D M H X S+ 0 0 36 -4,-1.3 4,-2.2 -3,-0.4 3,-0.3 0.914 112.4 53.8 -75.4 -45.5 20.3 -10.4 74.9 71 89 D L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.876 102.7 58.6 -57.7 -39.0 18.3 -7.4 75.9 72 90 D R H X S+ 0 0 138 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.914 107.4 47.0 -56.4 -45.1 21.3 -5.1 75.2 73 91 D L H X S+ 0 0 45 -4,-1.0 4,-1.4 -3,-0.3 -2,-0.2 0.928 111.4 50.0 -63.9 -45.5 21.4 -6.4 71.6 74 92 D L H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 6,-1.0 0.869 111.4 49.3 -61.6 -36.8 17.6 -5.9 71.1 75 93 D A H ><5S+ 0 0 24 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.891 107.1 55.0 -69.2 -38.6 17.9 -2.4 72.5 76 94 D S H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.5 52.7 -64.7 -25.7 20.8 -1.7 70.1 77 95 D Y T 3<5S- 0 0 84 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.197 118.2-113.1 -95.4 16.5 18.5 -2.8 67.3 78 96 D S T < 5S+ 0 0 79 -3,-1.8 24,-0.5 2,-0.2 23,-0.4 0.491 89.7 110.9 68.3 7.2 15.8 -0.4 68.3 79 97 D V S - 0 0 61 4,-4.3 3,-2.2 -2,-0.3 -1,-0.1 -0.374 32.2 -96.9 -87.2 167.6 17.1 1.5 94.0 88 106 D E T 3 S+ 0 0 202 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.802 125.6 49.6 -53.7 -35.4 16.1 2.2 97.6 89 107 D D T 3 S- 0 0 131 1,-0.0 -1,-0.3 0, 0.0 3,-0.1 0.218 128.4 -96.3 -92.3 15.0 19.8 2.4 98.7 90 108 D G S < S+ 0 0 53 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.0 0.458 81.6 141.4 85.9 -0.7 20.7 4.7 95.9 91 109 D G - 0 0 25 -5,-0.1 -4,-4.3 1,-0.1 2,-0.4 -0.255 43.2-134.4 -70.6 163.7 21.8 1.9 93.7 92 110 D A E - B 0 86A 76 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.940 20.0-177.5-124.5 145.3 21.1 1.9 89.9 93 111 D E E - B 0 85A 58 -8,-2.0 -8,-2.5 -2,-0.4 2,-0.3 -0.998 28.3-115.0-141.5 144.0 19.9 -0.9 87.6 94 112 D R E - B 0 84A 76 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.565 34.9-175.3 -78.2 137.9 19.3 -1.1 83.9 95 113 D V E - B 0 83A 1 -12,-3.0 -12,-1.9 -2,-0.3 2,-0.3 -0.938 9.0-146.3-132.2 156.7 15.6 -1.5 82.8 96 114 D Y E +AB 45 82A 1 -51,-2.9 -51,-2.6 -2,-0.3 2,-0.3 -0.880 12.9 179.5-126.4 157.8 14.0 -2.1 79.5 97 115 D G E - B 0 81A 4 -16,-2.1 -16,-2.9 -2,-0.3 2,-0.4 -0.874 37.0 -90.2-143.6 172.4 10.8 -1.2 77.7 98 116 D L E - B 0 80A 46 -2,-0.3 -18,-0.2 -18,-0.3 2,-0.1 -0.749 37.2-143.2 -91.5 135.1 9.2 -1.7 74.3 99 117 D S > - 0 0 21 -20,-1.8 4,-1.7 -2,-0.4 -18,-0.1 -0.319 35.2 -95.7 -85.8 176.5 9.8 0.8 71.6 100 118 D M T 4 S+ 0 0 157 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.839 132.8 43.7 -60.9 -31.9 7.2 1.9 69.0 101 119 D V T >4 S+ 0 0 90 -23,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.895 108.6 57.7 -78.0 -43.8 8.8 -0.7 66.8 102 120 D G G >4 S+ 0 0 0 -24,-0.5 3,-2.2 1,-0.3 -2,-0.2 0.734 88.1 73.8 -60.6 -25.6 9.1 -3.3 69.5 103 121 D K G >< S+ 0 0 42 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.810 85.3 67.0 -61.2 -26.6 5.3 -3.3 70.2 104 122 D Y G < S+ 0 0 50 -3,-1.5 10,-2.9 -4,-0.3 11,-0.7 0.547 92.2 62.1 -71.0 -3.8 4.9 -5.2 66.9 105 123 D L G < S+ 0 0 23 -3,-2.2 -1,-0.3 8,-0.2 -72,-0.2 0.250 82.4 97.9-102.3 10.2 6.7 -8.1 68.6 106 124 D V S X S- 0 0 3 -3,-1.7 3,-2.2 6,-0.3 6,-0.2 -0.896 73.8-137.8-102.9 120.4 4.0 -8.5 71.2 107 125 D P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.799 101.1 42.5 -42.6 -43.8 1.4 -11.2 70.5 108 126 D D T 3 S+ 0 0 107 4,-0.1 5,-0.1 -3,-0.0 -4,-0.1 0.377 77.6 139.4 -91.5 4.9 -1.6 -9.2 71.6 109 127 D E X - 0 0 36 -3,-2.2 3,-1.3 -6,-0.2 -5,-0.0 -0.273 48.1-146.6 -51.5 121.7 -0.6 -5.9 70.0 110 128 D S T 3 S+ 0 0 96 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.845 97.5 59.4 -62.0 -34.0 -3.7 -4.4 68.5 111 129 D R T 3 S- 0 0 60 1,-0.2 -1,-0.3 -8,-0.0 57,-0.2 0.677 125.5 -84.7 -67.1 -18.4 -1.8 -2.8 65.6 112 130 D G < - 0 0 10 -3,-1.3 2,-0.5 -6,-0.2 -6,-0.3 -0.401 34.0 -99.4 127.6 155.9 -0.7 -6.4 64.7 113 131 D Y + 0 0 36 47,-0.4 51,-0.2 -2,-0.1 -8,-0.2 -0.940 32.0 167.4-113.6 129.0 1.9 -9.1 65.5 114 132 D L > + 0 0 67 -10,-2.9 3,-1.0 -2,-0.5 4,-0.4 0.528 57.7 84.1-116.2 -10.5 4.9 -9.6 63.2 115 133 D A T >> S+ 0 0 0 -11,-0.7 4,-1.3 1,-0.2 3,-1.0 0.743 74.6 71.9 -69.1 -26.7 7.2 -11.9 65.3 116 134 D S H 3> S+ 0 0 12 1,-0.3 4,-1.3 2,-0.2 41,-0.3 0.752 92.1 59.9 -63.4 -20.7 5.6 -15.2 64.4 117 135 D F H <> S+ 0 0 42 -3,-1.0 4,-2.5 2,-0.2 -1,-0.3 0.817 98.5 56.8 -75.9 -27.3 7.1 -14.9 60.9 118 136 D T H <> S+ 0 0 28 -3,-1.0 4,-2.4 -4,-0.4 -2,-0.2 0.911 103.2 54.9 -65.0 -41.2 10.6 -14.8 62.4 119 137 D T H < S+ 0 0 33 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.5 49.1 -58.0 -39.7 9.7 -18.2 64.0 120 138 D F H >< S+ 0 0 11 -4,-1.3 3,-2.1 33,-0.2 6,-0.2 0.960 109.6 49.7 -65.2 -51.3 8.9 -19.4 60.5 121 139 D L H 3< S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.863 111.8 50.1 -56.2 -36.5 12.1 -18.1 59.0 122 140 D C T 3< S+ 0 0 26 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.352 80.3 130.2 -85.4 6.1 14.1 -19.8 61.8 123 141 D Y X> - 0 0 14 -3,-2.1 4,-1.8 -5,-0.1 3,-0.5 -0.389 68.5-117.9 -62.6 136.6 12.4 -23.1 61.4 124 142 D P H 3> S+ 0 0 82 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.854 110.9 50.2 -39.9 -57.5 14.9 -26.0 61.1 125 143 D A H 3> S+ 0 0 40 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.911 112.8 47.7 -53.4 -44.9 14.1 -27.2 57.6 126 144 D L H <> S+ 0 0 17 -3,-0.5 4,-3.3 -6,-0.2 -1,-0.2 0.811 99.6 66.9 -68.7 -31.4 14.3 -23.6 56.3 127 145 D L H X S+ 0 0 80 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.926 102.4 46.7 -55.8 -47.1 17.6 -22.9 58.0 128 146 D Q H < S+ 0 0 135 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.841 113.2 51.6 -64.1 -31.8 19.4 -25.4 55.8 129 147 D V H >< S+ 0 0 58 -4,-1.0 3,-2.2 -5,-0.2 -2,-0.2 0.977 107.5 50.4 -67.8 -55.2 17.6 -23.9 52.8 130 148 D W H >< S+ 0 0 44 -4,-3.3 3,-1.7 1,-0.3 -2,-0.2 0.909 109.7 50.5 -48.4 -52.0 18.6 -20.3 53.6 131 149 D M T 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.414 108.0 53.1 -72.1 2.7 22.3 -21.2 53.9 132 150 D N T X> S+ 0 0 78 -3,-2.2 3,-1.5 -4,-0.1 4,-0.6 0.011 70.3 128.5-120.7 21.4 22.3 -23.1 50.6 133 151 D F H X> + 0 0 62 -3,-1.7 3,-1.2 1,-0.3 4,-0.8 0.845 61.1 66.9 -44.0 -45.8 20.8 -20.0 48.8 134 152 D K H >> S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.822 90.1 62.4 -47.8 -42.4 23.6 -20.1 46.2 135 153 D E H <> S+ 0 0 135 -3,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.843 101.5 50.9 -57.5 -36.5 22.3 -23.4 44.7 136 154 D A H << S+ 0 0 33 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.727 110.5 52.6 -73.7 -21.6 19.0 -21.9 43.7 137 155 D V H << S+ 0 0 87 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.946 116.0 34.2 -77.6 -51.2 20.9 -19.1 42.0 138 156 D V H < S+ 0 0 115 -4,-2.2 2,-0.7 1,-0.1 -2,-0.2 0.803 108.8 66.9 -76.8 -33.7 23.3 -21.1 39.8 139 157 D D S < S- 0 0 89 -4,-2.0 -1,-0.1 -5,-0.3 0, 0.0 -0.828 74.8-144.4 -94.8 115.1 21.0 -24.0 39.0 140 158 D E 0 0 203 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.576 360.0 360.0 -53.5 -4.2 18.1 -22.9 36.8 141 159 D D 0 0 166 -6,-0.2 -1,-0.3 0, 0.0 -5,-0.1 0.609 360.0 360.0 -16.9 360.0 16.3 -25.6 38.9 142 ! 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 0.0 143 174 D F 0 0 148 0, 0.0 8,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 5.9 6.2 -31.2 52.6 144 175 D M + 0 0 99 1,-0.1 7,-0.3 6,-0.1 6,-0.1 1.000 360.0 37.4 -64.3 -71.4 3.0 -29.9 54.2 145 176 D G S S+ 0 0 45 1,-0.2 2,-1.8 3,-0.1 3,-0.3 0.915 107.7 70.7 -46.0 -50.9 1.6 -33.2 55.4 146 177 D K S S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 -0.567 116.2 14.5 -73.0 90.0 5.1 -34.4 56.2 147 178 D D > - 0 0 30 -2,-1.8 4,-1.3 3,-0.1 -1,-0.2 0.769 62.9-171.6 104.4 82.6 5.4 -32.1 59.2 148 179 D K H > S+ 0 0 144 -3,-0.3 4,-1.5 1,-0.2 -2,-0.1 0.617 84.8 68.0 -73.1 -11.4 2.1 -30.6 60.4 149 180 D K H > S+ 0 0 128 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.958 98.7 43.5 -72.0 -55.3 4.3 -28.4 62.6 150 181 D M H > S+ 0 0 35 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 113.6 52.8 -58.4 -42.6 6.0 -26.3 59.9 151 182 D N H X S+ 0 0 48 -4,-1.3 4,-3.0 -7,-0.3 5,-0.2 0.916 109.8 49.4 -59.9 -42.5 2.7 -25.9 58.1 152 183 D Q H X S+ 0 0 86 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.908 113.4 45.0 -63.0 -44.9 1.1 -24.7 61.4 153 184 D I H X S+ 0 0 22 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.913 115.2 48.2 -66.5 -43.2 4.0 -22.2 62.0 154 185 D F H X S+ 0 0 67 -4,-3.1 4,-1.7 -5,-0.2 -2,-0.2 0.951 113.9 45.4 -62.2 -51.1 3.9 -21.0 58.4 155 186 D N H X S+ 0 0 68 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.885 111.0 53.3 -61.2 -41.4 0.1 -20.5 58.4 156 187 D K H X S+ 0 0 111 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.924 108.4 49.8 -61.0 -43.9 0.0 -18.8 61.7 157 188 D S H X S+ 0 0 0 -4,-2.0 4,-2.5 -41,-0.3 5,-0.3 0.840 108.8 52.8 -65.0 -32.7 2.6 -16.3 60.6 158 189 D M H X S+ 0 0 77 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.913 108.2 51.1 -68.6 -40.5 0.7 -15.5 57.4 159 190 D V H X S+ 0 0 95 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 114.2 43.5 -60.3 -46.7 -2.4 -14.9 59.5 160 191 D D H X S+ 0 0 35 -4,-2.1 4,-1.8 2,-0.2 -47,-0.4 0.918 116.0 45.0 -67.6 -47.9 -0.6 -12.4 61.7 161 192 D V H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.934 114.5 51.0 -62.6 -44.6 1.3 -10.6 59.0 162 193 D C H X S+ 0 0 14 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.902 108.4 49.9 -60.4 -43.8 -1.8 -10.4 56.9 163 194 D A H X S+ 0 0 47 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.868 110.7 52.0 -63.2 -35.7 -3.9 -9.0 59.8 164 195 D T H X S+ 0 0 6 -4,-1.8 4,-1.4 -51,-0.2 -2,-0.2 0.917 112.8 43.9 -65.9 -44.0 -1.2 -6.4 60.4 165 196 D E H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.903 113.6 50.4 -67.8 -42.8 -1.2 -5.3 56.7 166 197 D M H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.842 105.1 56.6 -66.8 -35.0 -5.0 -5.3 56.4 167 198 D K H X S+ 0 0 80 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.953 114.5 37.6 -62.2 -49.6 -5.5 -3.1 59.5 168 199 D R H >X S+ 0 0 82 -4,-1.4 4,-1.2 -57,-0.2 3,-0.8 0.918 114.3 55.6 -68.0 -43.7 -3.3 -0.3 58.2 169 200 D M H >X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.3 3,-0.6 0.909 106.5 51.2 -56.2 -43.4 -4.5 -0.7 54.6 170 201 D L H 3< S+ 0 0 17 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.735 105.8 56.0 -68.6 -21.1 -8.1 -0.2 55.7 171 202 D E H << S+ 0 0 81 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.755 120.5 27.2 -81.3 -24.0 -7.2 3.0 57.6 172 203 D I H << S+ 0 0 47 -4,-1.2 2,-0.5 -3,-0.6 -2,-0.2 0.723 99.5 83.9-110.9 -27.9 -5.7 4.6 54.5 173 204 D Y < + 0 0 5 -4,-2.7 3,-0.2 -5,-0.2 155,-0.1 -0.703 40.8 174.4 -86.5 125.0 -7.3 3.2 51.4 174 205 D T > + 0 0 117 -2,-0.5 3,-0.7 1,-0.1 -1,-0.1 0.192 53.3 100.4-110.7 13.8 -10.6 4.8 50.4 175 206 D G T 3 + 0 0 10 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.454 65.5 73.3 -80.5 -0.1 -11.1 3.0 47.1 176 207 D F T > S+ 0 0 0 -3,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.741 70.6 103.8 -83.2 -23.8 -13.6 0.5 48.5 177 208 D E T < S+ 0 0 146 -3,-0.7 3,-0.1 1,-0.2 23,-0.0 -0.376 83.4 23.8 -60.9 128.0 -16.4 3.0 48.7 178 209 D G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.303 85.4 131.7 100.9 -10.1 -18.9 2.5 45.9 179 210 D I < - 0 0 20 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 -0.608 30.7-177.9 -80.0 133.4 -18.2 -1.1 45.2 180 211 D S S S+ 0 0 68 -2,-0.3 24,-2.8 1,-0.3 2,-0.5 0.858 76.6 20.9 -94.8 -46.6 -21.3 -3.4 44.9 181 212 D T E -c 204 0B 37 22,-0.2 58,-1.2 2,-0.0 57,-1.0 -0.976 69.1-170.1-128.1 117.8 -19.6 -6.7 44.3 182 213 D L E -cd 205 239B 0 22,-2.3 24,-2.4 -2,-0.5 2,-0.6 -0.932 6.0-159.6-110.6 124.2 -15.9 -7.3 45.3 183 214 D V E -cd 206 240B 0 56,-2.4 58,-2.3 -2,-0.5 2,-1.1 -0.893 7.2-151.9-105.3 121.3 -14.2 -10.5 44.2 184 215 D D E > -cd 207 241B 2 22,-2.9 24,-2.5 -2,-0.6 3,-1.4 -0.791 15.4-154.9 -94.0 99.5 -11.1 -11.5 46.1 185 216 D V E 3 S+c 208 0B 0 56,-1.5 58,-0.3 -2,-1.1 24,-0.2 -0.645 84.7 4.4 -77.2 113.6 -9.1 -13.4 43.5 186 217 D G T 3 S+ 0 0 0 22,-2.8 -1,-0.3 -2,-0.6 23,-0.2 0.870 89.1 160.1 75.5 37.6 -6.9 -15.9 45.3 187 218 D G X - 0 0 2 21,-1.9 3,-1.1 -3,-1.4 2,-0.4 0.660 25.8-161.2 -68.6 -19.3 -8.6 -14.7 48.4 188 219 D G T 3 - 0 0 8 20,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.602 67.5 -1.3 78.5-125.4 -7.7 -17.8 50.5 189 220 D S T 3 S- 0 0 58 -2,-0.4 -1,-0.2 154,-0.1 18,-0.1 0.655 94.4-117.3 -76.6 -18.6 -9.8 -18.3 53.6 190 221 D G S <> S+ 0 0 0 -3,-1.1 4,-2.1 27,-0.1 5,-0.1 0.436 80.0 123.2 94.1 0.8 -11.8 -15.2 53.0 191 222 D R H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.862 71.4 55.4 -65.0 -32.9 -10.7 -13.5 56.2 192 223 D N H > S+ 0 0 12 -5,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.902 108.2 47.6 -66.7 -39.7 -9.4 -10.5 54.3 193 224 D L H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.910 106.4 59.1 -65.0 -40.4 -12.9 -10.0 52.7 194 225 D E H X S+ 0 0 70 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.900 107.5 46.2 -54.0 -42.7 -14.4 -10.3 56.1 195 226 D L H X S+ 0 0 69 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.910 114.4 47.6 -66.7 -42.7 -12.4 -7.4 57.3 196 227 D I H >X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.962 114.7 44.1 -62.2 -54.4 -13.3 -5.3 54.2 197 228 D I H 3< S+ 0 0 18 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.747 105.3 65.4 -63.3 -24.0 -17.0 -6.1 54.3 198 229 D S H 3< S+ 0 0 92 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.893 113.4 31.8 -64.9 -39.5 -16.8 -5.4 58.1 199 230 D K H << S+ 0 0 104 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.737 129.0 41.0 -88.4 -26.5 -15.9 -1.8 57.2 200 231 D Y >< + 0 0 26 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.2 -0.594 67.0 173.7-125.4 71.6 -18.0 -1.7 54.0 201 232 D P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.640 73.9 64.3 -47.8 -27.5 -21.3 -3.6 54.8 202 233 D L T 3 S+ 0 0 157 2,-0.1 2,-0.3 -21,-0.0 -5,-0.1 0.688 81.2 99.8 -77.3 -17.4 -22.9 -2.8 51.5 203 234 D I < - 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