==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-04 1S77 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.W.YIN,T.A.STEITZ . 828 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 57 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 2 0 2 3 1 3 2 4 0 0 1 2 2 3 0 1 0 1 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 4 3 2 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 . 5 3 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 12 D S 0 0 107 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -24.1 -19.5 21.3 68.6 2 13 D D - 0 0 69 1,-0.1 4,-0.4 3,-0.1 3,-0.3 -0.594 360.0-135.1 -78.5 130.3 -18.5 24.4 70.6 3 14 D I S S+ 0 0 143 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.752 114.1 48.2 -52.0 -23.9 -19.2 27.8 68.9 4 15 D E S S+ 0 0 141 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.846 96.5 69.2 -83.0 -40.3 -15.7 28.6 70.1 5 16 D L + 0 0 40 -3,-0.3 2,-2.1 1,-0.2 -2,-0.2 0.455 69.0 99.4 -60.3 0.1 -14.3 25.3 68.8 6 17 D A + 0 0 61 -4,-0.4 -1,-0.2 -3,-0.3 2,-0.1 -0.458 67.4 97.9 -84.8 62.0 -14.9 26.8 65.3 7 18 D A S S- 0 0 54 -2,-2.1 -2,-0.1 1,-0.1 3,-0.0 0.052 84.9 -5.2-118.1-132.7 -11.1 27.6 65.5 8 19 D I >> - 0 0 91 1,-0.1 4,-1.6 -2,-0.1 3,-0.9 -0.619 69.3-141.8 -75.4 108.2 -8.1 25.8 64.0 9 20 D P H 3> S+ 0 0 23 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.787 92.7 51.3 -31.3 -66.5 -9.6 22.5 62.6 10 21 D F H 3> S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.865 110.7 50.5 -48.3 -44.5 -6.9 20.0 63.4 11 22 D N H <> S+ 0 0 82 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.930 113.9 43.3 -62.2 -49.0 -6.9 21.1 67.1 12 23 D T H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.913 115.0 48.8 -65.3 -45.4 -10.6 20.8 67.5 13 24 D L H >X S+ 0 0 0 -4,-3.0 4,-4.4 2,-0.2 3,-0.5 0.973 115.3 41.9 -58.9 -58.1 -11.0 17.5 65.7 14 25 D A H 3X S+ 0 0 20 -4,-2.3 4,-3.0 1,-0.3 5,-0.2 0.901 110.3 58.4 -56.1 -44.4 -8.2 15.7 67.5 15 26 D D H 3< S+ 0 0 130 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.889 121.2 28.6 -53.0 -39.2 -9.4 17.2 70.8 16 27 D H H << S+ 0 0 79 -4,-1.8 -2,-0.3 -3,-0.5 -1,-0.2 0.798 140.6 16.5 -92.4 -35.3 -12.7 15.5 70.1 17 28 D Y H X S- 0 0 85 -4,-4.4 4,-0.5 -5,-0.2 -3,-0.2 0.300 110.9 -93.8-125.7 9.4 -11.8 12.5 68.0 18 29 D G H X - 0 0 33 -4,-3.0 4,-2.5 -5,-0.4 3,-0.3 0.382 37.6 -88.4 86.2 137.5 -8.1 11.9 68.5 19 30 D E H > S+ 0 0 105 1,-0.2 4,-2.0 -5,-0.2 5,-0.2 0.756 120.1 63.7 -49.7 -31.5 -5.2 13.2 66.4 20 31 D R H > S+ 0 0 174 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.985 111.3 32.0 -60.9 -61.0 -5.3 10.1 64.2 21 32 D L H X S+ 0 0 32 -4,-0.5 4,-3.5 -3,-0.3 5,-0.2 0.905 112.7 63.4 -63.0 -42.3 -8.8 10.6 62.7 22 33 D A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.3 5,-0.3 0.934 108.7 43.6 -46.1 -46.8 -8.3 14.4 62.9 23 34 D R H X S+ 0 0 122 -4,-2.0 4,-3.2 -5,-0.2 5,-0.3 0.918 110.9 53.5 -65.6 -45.0 -5.5 13.8 60.4 24 35 D E H X S+ 0 0 55 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.943 108.8 50.3 -58.2 -46.4 -7.5 11.4 58.3 25 36 D Q H X S+ 0 0 1 -4,-3.5 4,-3.0 2,-0.2 3,-0.4 0.977 116.1 38.8 -52.7 -70.2 -10.4 13.9 57.9 26 37 D L H X S+ 0 0 38 -4,-1.8 4,-3.1 1,-0.3 5,-0.3 0.871 115.9 52.6 -48.1 -45.0 -8.2 16.8 56.8 27 38 D A H X S+ 0 0 58 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.3 0.951 114.2 45.4 -56.3 -44.4 -6.1 14.5 54.7 28 39 D L H X S+ 0 0 10 -4,-3.1 4,-2.0 -3,-0.4 -2,-0.3 0.894 111.4 48.9 -65.7 -46.3 -9.4 13.3 53.2 29 40 D E H X S+ 0 0 22 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.950 114.0 48.9 -61.1 -43.9 -10.9 16.7 52.7 30 41 D H H X S+ 0 0 118 -4,-3.1 4,-2.6 -5,-0.3 -2,-0.2 0.882 106.0 55.4 -63.2 -38.7 -7.6 17.7 51.1 31 42 D E H X S+ 0 0 50 -4,-2.3 4,-4.0 -5,-0.3 5,-0.3 0.916 102.7 57.3 -60.8 -39.5 -7.6 14.7 48.9 32 43 D S H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 210,-2.1 0.869 108.3 46.4 -57.1 -39.7 -11.0 15.7 47.6 33 44 D Y H X S+ 0 0 109 -4,-1.4 4,-3.0 208,-0.2 -1,-0.2 0.957 114.2 48.2 -66.1 -51.8 -9.6 19.0 46.5 34 45 D E H X S+ 0 0 99 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.962 113.1 46.8 -52.5 -58.5 -6.6 17.3 44.9 35 46 D M H X S+ 0 0 41 -4,-4.0 4,-2.6 1,-0.2 -1,-0.2 0.886 112.8 50.4 -53.6 -43.0 -8.8 14.7 43.1 36 47 D G H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.939 109.6 50.0 -61.0 -46.9 -11.1 17.4 41.9 37 48 D E H X S+ 0 0 67 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.866 110.9 50.6 -59.5 -39.1 -8.2 19.4 40.6 38 49 D A H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.993 106.5 53.0 -61.4 -60.2 -6.9 16.4 38.8 39 50 D R H X S+ 0 0 91 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.771 111.7 48.7 -45.6 -33.0 -10.2 15.7 37.1 40 51 D F H X S+ 0 0 21 -4,-1.6 4,-3.6 197,-0.2 5,-0.3 0.983 111.6 47.4 -72.0 -60.1 -10.2 19.2 35.9 41 52 D R H X S+ 0 0 81 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.928 108.1 53.6 -44.8 -63.3 -6.6 19.1 34.6 42 53 D K H X S+ 0 0 127 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.900 117.9 39.8 -38.8 -50.7 -7.1 15.8 32.7 43 54 D M H X S+ 0 0 61 -4,-1.2 4,-2.0 -5,-0.3 -2,-0.2 0.982 113.0 51.5 -64.7 -60.3 -10.1 17.5 31.1 44 55 D F H X S+ 0 0 16 -4,-3.6 4,-1.2 1,-0.2 -1,-0.2 0.758 115.1 47.0 -50.2 -25.9 -8.5 20.9 30.5 45 56 D E H >X S+ 0 0 74 -4,-3.1 4,-3.8 -5,-0.3 3,-0.5 0.954 109.4 48.6 -80.5 -56.5 -5.7 19.1 28.9 46 57 D R H 3< S+ 0 0 125 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.715 108.8 62.3 -55.0 -17.9 -7.7 16.8 26.7 47 58 D Q H >< S+ 0 0 27 -4,-2.0 3,-0.6 -5,-0.2 5,-0.3 0.945 114.2 27.2 -73.6 -50.9 -9.4 20.0 25.8 48 59 D L H X< S+ 0 0 47 -4,-1.2 3,-1.9 -3,-0.5 -2,-0.2 0.773 110.4 70.2 -82.0 -26.9 -6.4 21.8 24.3 49 60 D K T 3< S+ 0 0 142 -4,-3.8 -1,-0.2 1,-0.3 -3,-0.1 0.315 110.9 37.2 -71.7 13.0 -4.8 18.5 23.3 50 61 D A T < S- 0 0 58 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.131 123.4-101.4-154.3 37.9 -7.7 18.5 20.8 51 62 D G S < S+ 0 0 10 -3,-1.9 -3,-0.2 65,-0.3 62,-0.2 0.868 87.0 112.0 33.5 82.8 -7.9 22.2 20.0 52 63 D E >> + 0 0 53 -5,-0.3 4,-0.8 60,-0.1 3,-0.7 0.069 22.5 128.2-166.9 33.9 -10.8 23.4 22.0 53 64 D V G >4 + 0 0 3 1,-0.2 3,-1.1 2,-0.2 6,-0.4 0.945 65.7 68.3 -62.2 -51.9 -9.4 25.8 24.7 54 65 D A G 34 S+ 0 0 4 1,-0.3 -1,-0.2 55,-0.2 9,-0.1 0.763 97.9 56.6 -40.0 -32.1 -11.8 28.6 23.9 55 66 D D G <4 S+ 0 0 67 -3,-0.7 -1,-0.3 54,-0.1 -2,-0.2 0.937 86.2 93.2 -69.1 -47.8 -14.6 26.4 25.3 56 67 D N S XX S- 0 0 10 -3,-1.1 3,-2.0 -4,-0.8 4,-1.0 -0.123 86.6-118.8 -51.3 138.1 -13.0 25.8 28.7 57 68 D A G >4 S+ 0 0 52 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.874 108.8 69.7 -42.7 -47.5 -14.0 28.2 31.5 58 69 D A G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 174,-0.2 0.747 105.9 36.7 -45.2 -35.5 -10.4 29.3 31.8 59 70 D A G X> S+ 0 0 0 -3,-2.0 4,-2.9 -6,-0.4 3,-0.7 0.613 96.2 84.2 -96.3 -14.3 -10.4 31.1 28.5 60 71 D K H S+ 0 0 14 -3,-0.7 4,-1.2 -4,-0.2 3,-1.2 0.950 110.1 51.0 -77.3 -55.5 -10.4 36.3 28.1 63 74 D I H >X S+ 0 0 11 -4,-2.9 4,-3.9 1,-0.3 3,-1.3 0.916 108.9 50.4 -45.5 -56.0 -12.7 35.8 25.1 64 75 D T H 3< S+ 0 0 46 -4,-2.6 -1,-0.3 1,-0.3 641,-0.2 0.767 107.5 56.3 -58.0 -25.2 -15.4 38.1 26.5 65 76 D T H <4 S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.753 124.5 20.7 -78.7 -23.9 -12.7 40.7 27.1 66 77 D L H XX S+ 0 0 1 -3,-1.3 3,-0.9 -4,-1.2 4,-0.9 0.787 102.5 79.9-110.5 -44.7 -11.7 40.6 23.4 67 78 D L G >< S+ 0 0 3 -4,-3.9 3,-0.9 1,-0.3 4,-0.5 0.813 100.6 46.4 -32.3 -49.1 -14.6 39.2 21.4 68 79 D P G >> S+ 0 0 42 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.906 101.0 64.3 -65.3 -43.2 -16.2 42.7 21.6 69 80 D K G <4 S+ 0 0 107 -3,-0.9 -2,-0.2 1,-0.2 5,-0.1 0.625 88.8 73.8 -56.7 -14.1 -13.1 44.6 20.6 70 81 D M G XX S+ 0 0 0 -3,-0.9 4,-5.1 -4,-0.9 3,-1.2 0.927 92.5 49.5 -68.1 -46.8 -13.2 42.9 17.2 71 82 D I H <>>S+ 0 0 74 -3,-1.1 5,-1.9 -4,-0.5 4,-0.9 0.895 98.6 70.1 -57.8 -37.2 -16.2 44.9 15.9 72 83 D A H 3<5S+ 0 0 61 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.195 122.6 13.8 -65.7 21.1 -14.2 47.9 17.1 73 84 D R H <>5S+ 0 0 32 -3,-1.2 4,-0.8 -2,-0.1 -2,-0.3 0.215 123.3 59.0-157.7 -53.3 -12.0 46.9 14.2 74 85 D I H X5S+ 0 0 5 -4,-5.1 4,-1.8 2,-0.2 3,-0.4 0.972 125.3 23.7 -51.3 -61.4 -13.9 44.5 12.0 75 86 D N H X5S+ 0 0 42 -4,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.883 118.2 61.7 -73.1 -39.3 -16.7 46.9 11.4 76 87 D D H 4X S+ 0 0 17 -4,-0.8 4,-2.0 -3,-0.4 3,-1.6 0.892 108.7 47.5 -90.6 -53.7 -12.7 48.4 9.1 78 89 D F H >X S+ 0 0 14 -4,-1.8 4,-1.9 1,-0.3 3,-0.7 0.952 108.7 53.0 -53.0 -57.6 -15.7 48.1 6.8 79 90 D E H 3< S+ 0 0 156 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.233 117.5 43.2 -66.4 20.0 -16.9 51.6 7.4 80 91 D E H X4 S+ 0 0 119 -3,-1.6 3,-1.1 -5,-0.1 4,-0.3 0.466 103.2 59.2-133.1 -29.6 -13.4 52.5 6.4 81 92 D V H X< S+ 0 0 9 -4,-2.0 3,-1.0 -3,-0.7 -2,-0.2 0.742 98.5 65.8 -73.1 -22.0 -12.8 50.3 3.4 82 93 D K T 3< S+ 0 0 113 -4,-1.9 -1,-0.3 -5,-0.3 -3,-0.1 0.509 89.1 65.9 -76.0 -5.8 -15.8 52.2 2.1 83 94 D A T < S+ 0 0 61 -3,-1.1 2,-0.3 -5,-0.2 -1,-0.2 0.644 81.8 93.1 -89.3 -17.6 -13.7 55.3 2.1 84 95 D K < - 0 0 110 -3,-1.0 2,-0.6 -4,-0.3 -4,-0.0 -0.604 69.7-146.0 -79.0 134.8 -11.4 53.9 -0.6 85 96 D R S S+ 0 0 214 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.330 73.4 32.5 -97.0 52.5 -12.3 54.8 -4.2 86 97 D G S S- 0 0 60 -2,-0.6 2,-0.2 1,-0.1 -2,-0.1 -0.619 100.7 -5.3-162.5-137.5 -11.3 51.5 -5.9 87 98 D K - 0 0 150 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.491 62.6-118.6 -81.0 149.4 -10.9 47.8 -5.4 88 99 D R - 0 0 101 -2,-0.2 2,-3.9 1,-0.1 -1,-0.1 -0.715 29.6-105.0 -92.0 137.6 -11.6 46.1 -2.1 89 100 D P - 0 0 52 0, 0.0 2,-4.2 0, 0.0 110,-0.1 0.091 47.4-118.0 -48.1 28.0 -8.9 44.1 -0.2 90 101 D T S > S+ 0 0 51 -2,-3.9 4,-1.2 1,-0.2 106,-0.1 -0.109 109.5 72.3 61.6 -49.1 -10.5 40.7 -1.3 91 102 D A T 4 S+ 0 0 3 -2,-4.2 5,-0.3 1,-0.2 -1,-0.2 0.910 82.6 72.5 -60.4 -43.0 -11.1 39.9 2.4 92 103 D F T >> S+ 0 0 9 1,-0.3 4,-0.8 2,-0.1 3,-0.7 0.883 103.7 35.3 -35.1 -71.2 -13.9 42.5 2.5 93 104 D Q T 34 S+ 0 0 63 1,-0.3 2,-0.7 2,-0.2 3,-0.4 0.814 112.3 63.9 -58.9 -32.6 -16.4 40.5 0.4 94 105 D F T 3< S+ 0 0 41 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.1 -0.217 111.4 33.1 -89.6 46.3 -15.2 37.2 1.9 95 106 D L T X4 S+ 0 0 5 -3,-0.7 3,-0.9 -2,-0.7 -1,-0.2 0.209 97.1 79.7-168.2 -14.0 -16.3 38.0 5.5 96 107 D Q T 3< S+ 0 0 80 -4,-0.8 -2,-0.1 -3,-0.4 -3,-0.1 0.510 73.8 84.8 -82.6 -4.8 -19.4 40.1 4.9 97 108 D E T 3 S+ 0 0 56 -4,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.573 96.6 32.9 -73.5 -9.8 -21.3 36.9 4.3 98 109 D I S < S- 0 0 16 -3,-0.9 5,-0.1 1,-0.0 40,-0.1 -0.954 102.9 -65.8-145.5 164.0 -21.8 36.5 8.0 99 110 D K > - 0 0 85 -2,-0.3 4,-1.3 3,-0.1 5,-0.1 -0.158 46.1-130.4 -48.7 133.9 -22.4 38.4 11.3 100 111 D P H >> S+ 0 0 40 0, 0.0 3,-2.2 0, 0.0 4,-2.0 0.975 105.7 38.1 -53.1 -70.0 -19.3 40.5 12.2 101 112 D E H 3> S+ 0 0 21 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.753 110.6 64.2 -56.5 -21.7 -18.9 39.5 15.8 102 113 D A H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.822 105.1 45.4 -69.3 -30.1 -19.9 36.0 14.7 103 114 D V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.1 3,-2.0 0.988 117.6 31.5 -72.2 -74.2 -11.7 33.9 14.5 108 119 D I H 3X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.3 5,-0.4 0.881 114.8 59.5 -51.6 -48.1 -10.5 33.9 18.1 109 120 D K H 3< S+ 0 0 18 -4,-3.3 -1,-0.3 -5,-0.3 -55,-0.2 0.619 117.5 36.0 -60.4 -9.4 -12.1 30.5 18.9 110 121 D T H <4 S+ 0 0 14 -3,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.698 105.8 62.8-113.0 -33.6 -9.9 29.3 16.1 111 122 D T H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.2 0.840 117.6 34.9 -61.7 -30.8 -6.7 31.3 16.5 112 123 D L H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 5,-0.3 0.790 103.3 70.4 -91.0 -33.5 -6.4 29.6 19.8 113 124 D A H 4 S+ 0 0 18 -5,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.326 116.4 30.4 -66.5 12.0 -7.8 26.2 18.7 114 125 D C H > S+ 0 0 24 -3,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.469 111.4 60.6-135.9 -39.2 -4.5 26.1 16.9 115 126 D L H < S+ 0 0 28 -4,-1.2 106,-0.2 1,-0.2 -2,-0.2 0.543 123.2 29.1 -70.4 -6.3 -2.2 28.1 19.1 116 127 D T T < S+ 0 0 32 -4,-1.4 -65,-0.3 -68,-0.1 -1,-0.2 0.298 116.3 62.3-131.2 -1.3 -3.0 25.4 21.7 117 128 D S T 4 S+ 0 0 63 -5,-0.3 2,-0.2 -3,-0.2 -2,-0.2 0.919 112.0 17.4 -88.4 -64.8 -3.7 22.6 19.3 118 129 D A < - 0 0 46 -4,-1.5 3,-0.2 1,-0.1 -1,-0.2 -0.516 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-41.0 20.1 46.9 732 785 D S H 3X S+ 0 0 0 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.3 0.771 109.8 53.8 -74.5 -22.4 -40.1 22.7 49.5 733 786 D Q H S+ 0 0 61 -4,-2.4 4,-3.3 2,-0.2 5,-0.8 0.939 111.4 49.0 -70.0 -51.2 -39.4 15.2 65.6 745 798 D A H X5S+ 0 0 0 -4,-3.3 6,-1.9 1,-0.2 4,-1.2 0.894 117.8 43.4 -58.5 -37.2 -38.2 11.6 65.5 746 799 D H H X5S+ 0 0 69 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.941 121.5 36.4 -73.2 -49.0 -35.0 12.7 67.2 747 800 D E H <5S+ 0 0 85 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.756 128.4 33.6 -78.0 -26.5 -36.4 15.0 69.8 748 801 D K H <5S+ 0 0 131 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.788 135.6 21.4 -98.7 -34.7 -39.6 12.9 70.5 749 802 D Y H <> - 0 0 0 -2,-0.3 3,-2.0 -270,-0.2 4,-1.0 -0.457 55.2-104.4 -79.0 157.7 -32.6 0.9 62.0 765 818 D P H >> S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.851 118.6 60.0 -51.4 -41.5 -35.3 -1.8 62.6 766 819 D A H 34 S+ 0 0 34 -275,-0.3 4,-0.1 1,-0.3 -349,-0.1 0.690 114.0 36.2 -64.6 -19.0 -35.5 -1.1 66.3 767 820 D D H X> S+ 0 0 13 -3,-2.0 4,-2.2 2,-0.1 3,-0.7 0.453 88.7 98.6-110.3 -3.6 -36.6 2.5 65.6 768 821 D A H S+ 0 0 48 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.832 110.7 53.3 -75.8 -36.1 -41.3 5.3 65.8 771 824 D L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.903 107.1 58.7 -64.0 -33.7 -40.1 6.7 62.5 772 825 D F H X S+ 0 0 29 -4,-2.5 4,-0.8 -5,-0.3 -2,-0.2 0.902 112.3 34.9 -60.1 -47.3 -43.4 5.2 61.3 773 826 D K H X S+ 0 0 85 -4,-1.4 4,-3.3 2,-0.2 3,-0.3 0.940 115.7 57.2 -74.7 -43.5 -45.5 7.3 63.6 774 827 D A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 5,-0.3 0.886 102.9 51.1 -52.0 -51.4 -43.2 10.4 63.5 775 828 D V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.3 0.890 116.8 43.9 -59.9 -32.3 -43.4 10.8 59.7 776 829 D R H X S+ 0 0 1 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.3 0.909 111.5 52.2 -77.7 -40.3 -47.1 10.7 60.1 777 830 D E H X S+ 0 0 47 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.896 110.2 47.2 -62.6 -40.7 -47.3 12.9 63.2 778 831 D T H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.891 108.2 56.8 -69.0 -35.2 -45.3 15.7 61.5 779 832 D M H X S+ 0 0 0 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.926 114.4 39.5 -57.9 -46.2 -47.5 15.4 58.4 780 833 D V H X S+ 0 0 6 -4,-2.0 4,-1.1 2,-0.2 5,-0.2 0.917 113.5 50.8 -72.8 -46.7 -50.5 16.0 60.6 781 834 D D H X S+ 0 0 64 -4,-3.0 4,-1.3 1,-0.2 3,-0.4 0.952 111.9 51.5 -57.7 -45.9 -49.1 18.7 62.9 782 835 D T H >X S+ 0 0 8 -4,-2.4 4,-1.8 1,-0.2 3,-0.6 0.941 115.6 34.2 -53.5 -64.3 -47.9 20.6 59.9 783 836 D Y H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.467 119.3 52.4 -76.7 -3.8 -51.0 20.9 57.8 784 837 D E H 3< S+ 0 0 72 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.595 118.3 38.3-101.6 -16.0 -53.3 21.0 60.8 785 838 D S H << S+ 0 0 86 -4,-1.3 2,-0.4 -3,-0.6 -2,-0.2 0.594 118.2 45.8-107.5 -16.5 -51.2 23.9 62.1 786 839 D C < - 0 0 42 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.2 -0.979 54.4-155.5-133.9 144.3 -50.4 25.8 58.9 787 840 D D > - 0 0 56 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 -0.831 21.0-175.3-113.7 85.0 -52.3 26.9 55.8 788 841 D V H > S+ 0 0 7 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.777 79.9 48.1 -54.0 -33.6 -49.4 27.0 53.5 789 842 D L H > S+ 0 0 0 2,-0.2 4,-2.8 -279,-0.2 -1,-0.2 0.916 114.8 44.1 -75.1 -44.5 -51.4 28.5 50.6 790 843 D A H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.818 115.7 49.5 -68.3 -30.1 -53.0 31.2 52.8 791 844 D D H X S+ 0 0 72 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.900 109.2 51.9 -73.4 -41.7 -49.6 31.9 54.3 792 845 D F H >X S+ 0 0 3 -4,-1.9 3,-1.8 -5,-0.3 4,-0.9 0.955 109.0 50.4 -57.7 -50.3 -48.1 32.1 50.9 793 846 D Y H >X S+ 0 0 65 -4,-2.8 4,-3.0 1,-0.3 3,-0.9 0.904 104.6 56.0 -55.2 -45.6 -50.8 34.6 49.9 794 847 D D H 3< S+ 0 0 101 -4,-1.9 -1,-0.3 1,-0.2 4,-0.3 0.657 104.2 60.5 -63.7 -9.9 -50.1 36.7 52.9 795 848 D Q H << S+ 0 0 61 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.808 120.7 15.9 -87.6 -30.5 -46.6 36.7 51.6 796 849 D F H << S+ 0 0 5 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.1 0.612 101.7 86.7-116.6 -17.5 -47.2 38.4 48.2 797 850 D A S < S+ 0 0 24 -4,-3.0 5,-0.3 -5,-0.2 -3,-0.1 0.938 111.6 15.5 -47.7 -55.3 -50.6 39.9 48.5 798 851 D D S S+ 0 0 110 -4,-0.3 -3,-0.1 -5,-0.3 -2,-0.1 0.871 115.7 65.7 -81.4 -92.0 -49.1 43.1 50.0 799 852 D Q S S- 0 0 111 -5,-0.2 -1,-0.1 -4,-0.1 0, 0.0 -0.032 122.5 -1.1 -37.9 99.1 -45.4 43.1 49.4 800 853 D L S S+ 0 0 72 1,-0.1 2,-0.3 -3,-0.1 -133,-0.1 0.779 108.2 76.1 78.6 108.5 -45.3 43.4 45.6 801 854 D H + 0 0 15 -148,-0.0 -1,-0.1 5,-0.0 4,-0.1 -0.991 45.2 70.9 164.4-152.3 -48.8 43.5 44.0 802 855 D E B > +R 805 0O 101 3,-0.6 3,-3.1 -2,-0.3 -135,-0.1 -0.071 34.4 130.2 44.3-131.3 -51.9 45.6 43.2 803 856 D S T 3 S- 0 0 36 1,-0.3 -1,-0.1 -137,-0.1 -136,-0.1 0.886 119.6 -37.4 48.7 39.9 -51.6 48.4 40.6 804 857 D Q T 3 S+ 0 0 88 1,-0.2 2,-0.8 -147,-0.0 -1,-0.3 -0.086 111.7 129.7 102.6 -29.6 -54.6 46.7 39.2 805 858 D L B < +R 802 0O 5 -3,-3.1 -3,-0.6 1,-0.2 -1,-0.2 -0.429 26.1 111.2 -61.4 102.0 -53.4 43.1 40.0 806 859 D D + 0 0 96 -2,-0.8 -1,-0.2 -3,-0.1 -3,-0.0 -0.031 36.3 102.8-167.6 38.3 -56.4 41.6 41.7 807 860 D K + 0 0 178 -159,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.157 50.9 142.7-112.2 24.5 -57.6 39.1 39.2 808 861 D M - 0 0 23 1,-0.1 3,-0.1 -156,-0.0 -163,-0.1 -0.620 56.4-119.7 -72.8 113.7 -55.9 36.7 41.6 809 862 D P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.088 36.5 -95.4 -50.9 156.4 -58.1 33.5 41.8 810 863 D A - 0 0 87 1,-0.1 3,-0.1 -3,-0.1 -165,-0.0 -0.433 46.2 -85.9 -78.9 152.5 -59.5 32.7 45.2 811 864 D L - 0 0 65 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.268 60.2 -96.5 -51.8 136.8 -57.8 30.2 47.6 812 865 D P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.203 44.8 -97.2 -58.2 150.4 -59.0 26.8 46.6 813 866 D A - 0 0 88 -3,-0.1 2,-0.0 1,-0.1 -3,-0.0 -0.467 40.2-118.7 -70.7 138.9 -61.9 25.4 48.7 814 867 D K - 0 0 81 -2,-0.2 -302,-0.2 1,-0.1 2,-0.1 -0.258 28.0-140.4 -72.8 165.3 -60.9 23.1 51.6 815 868 D G - 0 0 30 -304,-1.3 -302,-0.2 -307,-0.2 -1,-0.1 -0.350 21.7-104.0-113.6-164.2 -62.1 19.5 51.7 816 869 D N + 0 0 148 -2,-0.1 2,-0.4 2,-0.1 -303,-0.2 0.276 65.5 134.0-109.9 10.7 -63.3 17.0 54.3 817 870 D L - 0 0 5 -305,-2.9 2,-1.1 -309,-0.1 -2,-0.1 -0.482 54.9-137.7 -63.2 118.2 -60.1 15.0 54.6 818 871 D N > - 0 0 83 -2,-0.4 3,-2.7 1,-0.2 4,-0.4 -0.696 12.2-157.9 -80.4 99.7 -59.6 14.5 58.3 819 872 D L G > S+ 0 0 2 -2,-1.1 3,-1.7 1,-0.3 4,-0.3 0.806 86.6 67.1 -50.5 -33.1 -55.8 15.1 58.6 820 873 D R G > S+ 0 0 125 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.659 84.8 73.5 -66.4 -10.9 -55.6 13.2 61.9 821 874 D D G X S+ 0 0 46 -3,-2.7 3,-1.9 1,-0.2 -1,-0.3 0.797 78.4 75.0 -69.6 -28.8 -56.6 10.0 60.0 822 875 D I G X S+ 0 0 1 -3,-1.7 3,-1.5 -4,-0.4 -1,-0.2 0.821 85.4 64.6 -51.8 -33.0 -53.1 10.0 58.5 823 876 D L G < S+ 0 0 57 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.831 106.8 41.8 -61.1 -30.8 -51.9 8.8 61.9 824 877 D E G < S+ 0 0 137 -3,-1.9 2,-0.7 -4,-0.3 -1,-0.3 0.196 88.3 113.1-102.8 14.7 -54.0 5.6 61.4 825 878 D S < - 0 0 1 -3,-1.5 3,-0.5 -301,-0.2 4,-0.5 -0.802 46.9-167.3 -93.8 116.6 -53.0 5.1 57.8 826 879 D D S S+ 0 0 70 -2,-0.7 3,-0.2 -301,-0.2 -1,-0.2 0.855 84.6 40.9 -65.0 -39.9 -50.9 2.0 57.3 827 880 D F S S+ 0 0 8 -304,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.369 88.4 84.6 -97.1 3.4 -49.8 2.8 53.8 828 881 D A + 0 0 0 -3,-0.5 2,-1.3 1,-0.2 -328,-0.8 0.931 52.6 167.8 -69.7 -44.7 -49.1 6.6 53.8 829 882 D F 0 0 18 -4,-0.5 -330,-0.2 -3,-0.2 -1,-0.2 -0.543 360.0 360.0 65.4 -95.1 -45.5 6.2 55.1 830 883 D A 0 0 2 -2,-1.3 -330,-0.1 -71,-0.2 -332,-0.1 0.126 360.0 360.0 -64.1 360.0 -44.5 9.7 54.4