==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA/RNA 19-SEP-02 1MSW . COMPND 2 MOLECULE: TEMPLATE DNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.W.YIN,T.A.STEITZ . 863 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 66 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 366 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 4 1 2 1 0 4 3 2 0 0 2 1 1 2 3 1 0 0 0 1 2 0 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 . 6 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 2 D N 0 0 77 0, 0.0 2,-0.4 0, 0.0 238,-0.1 0.000 360.0 360.0 360.0-166.0 -27.6 -2.3 -13.5 2 3 D T - 0 0 80 236,-0.1 2,-0.6 2,-0.0 124,-0.1 -0.956 360.0-123.5-127.8 145.9 -25.5 -3.1 -10.5 3 4 D I - 0 0 8 -2,-0.4 2,-0.8 123,-0.1 241,-0.1 -0.792 20.5-154.9 -93.9 119.6 -26.3 -4.8 -7.2 4 5 D N - 0 0 127 -2,-0.6 2,-0.2 239,-0.0 -2,-0.0 -0.814 12.6-169.3 -96.0 104.1 -25.4 -2.7 -4.1 5 6 D I - 0 0 31 -2,-0.8 2,-0.3 245,-0.1 243,-0.1 -0.635 4.7-153.7 -92.9 151.4 -24.8 -4.8 -1.1 6 7 D A - 0 0 67 241,-0.3 -2,-0.0 -2,-0.2 2,-0.0 -0.938 19.8-107.1-125.8 148.8 -24.5 -3.4 2.4 7 8 D K - 0 0 145 -2,-0.3 2,-0.2 1,-0.1 248,-0.1 -0.266 35.3-119.6 -70.0 158.5 -22.7 -4.7 5.5 8 9 D N - 0 0 59 246,-0.1 2,-1.0 243,-0.1 3,-0.1 -0.528 19.1-110.3 -97.1 165.6 -24.6 -6.1 8.5 9 10 D D + 0 0 104 -2,-0.2 3,-0.4 1,-0.2 4,-0.1 -0.816 44.0 161.1 -96.2 96.1 -24.7 -4.9 12.1 10 11 D F > + 0 0 12 -2,-1.0 3,-1.4 1,-0.2 4,-0.3 0.520 57.6 89.0 -91.7 -8.1 -22.8 -7.7 13.9 11 12 D S G > S+ 0 0 61 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.773 74.2 71.9 -58.3 -26.1 -22.3 -5.5 16.9 12 13 D D G 3 S+ 0 0 100 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.875 84.4 66.3 -56.3 -40.0 -25.6 -6.8 18.1 13 14 D I G < + 0 0 7 -3,-1.4 2,-2.7 1,-0.2 268,-0.4 0.636 69.1 107.9 -58.2 -14.7 -23.9 -10.1 18.8 14 15 D E S < S- 0 0 87 -3,-1.9 -1,-0.2 -4,-0.3 6,-0.1 -0.405 82.0-125.5 -69.8 76.3 -21.9 -8.3 21.5 15 16 D L - 0 0 32 -2,-2.7 -1,-0.1 4,-0.1 265,-0.1 0.412 23.5 -89.4 -22.3 148.7 -23.9 -10.1 24.3 16 17 D A > - 0 0 60 1,-0.1 4,-1.0 3,-0.0 5,-0.1 -0.029 35.8-108.0 -61.0 167.4 -25.7 -8.3 27.1 17 18 D A H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.839 115.8 52.2 -69.5 -38.3 -24.1 -7.3 30.4 18 19 D I H 4 S+ 0 0 145 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.934 116.0 40.7 -65.1 -45.8 -25.9 -9.9 32.6 19 20 D P H > S+ 0 0 42 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.720 112.5 58.8 -73.0 -21.1 -24.9 -12.8 30.2 20 21 D F H >X S+ 0 0 32 -4,-1.0 4,-2.9 1,-0.2 3,-0.8 0.819 96.9 57.8 -75.9 -33.8 -21.5 -11.1 30.0 21 22 D N H 3< S+ 0 0 93 -4,-1.7 5,-0.2 1,-0.3 -1,-0.2 0.594 94.0 70.5 -72.1 -9.5 -20.9 -11.4 33.7 22 23 D T H 34 S+ 0 0 71 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.879 110.2 31.1 -70.4 -39.0 -21.4 -15.1 33.1 23 24 D L H XX>S+ 0 0 0 -3,-0.8 4,-3.8 -4,-0.5 5,-0.9 0.916 112.3 69.6 -82.8 -53.0 -18.0 -15.0 31.3 24 25 D A T 3<5S+ 0 0 14 -4,-2.9 2,-1.1 1,-0.2 0, 0.0 -0.298 106.5 25.7 -61.8 156.8 -16.5 -12.3 33.4 25 26 D D T 345S+ 0 0 137 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 -0.090 124.1 59.7 77.0 -38.4 -15.8 -13.5 37.0 26 27 D H T <45S- 0 0 117 -2,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.927 136.6 -8.9 -80.9 -52.2 -15.6 -16.9 35.4 27 28 D Y T <5S- 0 0 74 -4,-3.8 4,-0.4 238,-0.0 -3,-0.2 0.488 106.7-106.6-124.7 -13.7 -12.8 -16.1 33.0 28 29 D G >>< - 0 0 27 -5,-0.9 4,-1.9 3,-0.1 3,-1.2 0.592 28.3 -86.8 88.3 124.7 -12.3 -12.4 33.3 29 30 D E H 3> S+ 0 0 120 1,-0.3 4,-3.4 2,-0.2 5,-0.5 0.699 118.9 63.1 -23.6 -54.7 -13.1 -9.4 31.2 30 31 D R H 3> S+ 0 0 195 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.936 119.7 23.9 -44.2 -61.2 -9.8 -9.5 29.2 31 32 D L H <> S+ 0 0 38 -3,-1.2 4,-3.4 -4,-0.4 5,-0.3 0.975 119.0 58.7 -70.5 -57.4 -10.6 -12.9 27.8 32 33 D A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.3 -3,-0.2 0.853 114.3 41.5 -39.6 -40.8 -14.4 -12.8 28.1 33 34 D R H X S+ 0 0 123 -4,-3.4 4,-1.6 -5,-0.3 -1,-0.3 0.908 112.5 53.4 -75.5 -43.0 -14.1 -9.7 25.9 34 35 D E H X S+ 0 0 63 -4,-1.9 4,-2.4 -5,-0.5 -2,-0.2 0.917 106.8 52.9 -57.9 -45.7 -11.6 -11.2 23.6 35 36 D Q H X S+ 0 0 1 -4,-3.4 4,-2.6 1,-0.3 3,-0.3 0.967 109.9 46.7 -55.3 -56.5 -13.8 -14.2 23.0 36 37 D L H X S+ 0 0 6 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.3 0.773 110.2 54.5 -58.3 -25.9 -16.7 -12.1 22.0 37 38 D A H X S+ 0 0 47 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.898 109.3 49.5 -71.9 -38.1 -14.4 -10.1 19.8 38 39 D L H X S+ 0 0 13 -4,-2.4 4,-2.3 -3,-0.3 -2,-0.2 0.906 109.8 48.0 -65.7 -45.3 -13.4 -13.4 18.2 39 40 D E H X S+ 0 0 13 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.901 111.3 51.8 -65.5 -37.1 -17.0 -14.5 17.6 40 41 D H H X S+ 0 0 30 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.885 108.3 51.6 -65.1 -38.4 -17.8 -11.2 16.1 41 42 D E H X S+ 0 0 59 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.926 101.1 62.0 -63.2 -46.3 -14.8 -11.5 13.8 42 43 D S H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.3 217,-1.9 0.905 106.6 45.6 -45.7 -49.2 -16.0 -14.9 12.6 43 44 D Y H X S+ 0 0 15 -4,-1.5 4,-2.1 215,-0.2 -1,-0.3 0.846 112.1 50.4 -66.6 -33.5 -19.1 -13.3 11.3 44 45 D E H X S+ 0 0 96 -4,-1.5 4,-2.4 -3,-0.2 -2,-0.2 0.897 109.4 50.7 -72.3 -38.5 -17.2 -10.5 9.6 45 46 D M H X S+ 0 0 42 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.907 110.1 51.4 -64.7 -38.7 -14.8 -12.9 7.9 46 47 D G H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.924 109.8 47.6 -62.8 -46.6 -17.8 -14.8 6.7 47 48 D E H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.909 108.0 58.9 -60.1 -40.7 -19.5 -11.7 5.2 48 49 D A H X S+ 0 0 57 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.891 108.6 42.7 -56.5 -44.1 -16.1 -10.9 3.7 49 50 D R H X S+ 0 0 88 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.814 111.5 53.7 -78.1 -26.5 -16.0 -14.1 1.7 50 51 D F H X S+ 0 0 21 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.981 111.0 46.1 -67.7 -52.8 -19.6 -14.0 0.6 51 52 D R H X S+ 0 0 44 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.881 114.3 49.8 -53.2 -42.8 -19.3 -10.5 -0.8 52 53 D K H X S+ 0 0 159 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.984 112.1 45.3 -60.9 -58.7 -16.0 -11.6 -2.5 53 54 D M H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.909 113.8 52.3 -50.3 -46.5 -17.5 -14.7 -4.0 54 55 D F H X S+ 0 0 4 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.966 107.6 48.6 -55.6 -58.3 -20.5 -12.6 -5.1 55 56 D E H X S+ 0 0 98 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.804 111.2 54.1 -54.0 -30.3 -18.5 -9.9 -6.8 56 57 D R H < S+ 0 0 167 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.979 109.3 44.9 -67.3 -55.7 -16.7 -12.7 -8.6 57 58 D Q H <>S+ 0 0 35 -4,-2.6 5,-2.2 1,-0.2 3,-0.5 0.833 110.2 56.6 -56.4 -36.5 -19.8 -14.4 -9.9 58 59 D L H ><5S+ 0 0 5 -4,-2.5 2,-1.8 1,-0.3 3,-1.7 0.915 100.4 57.6 -63.4 -44.6 -21.2 -11.0 -10.9 59 60 D K T 3<5S+ 0 0 137 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.1 -0.390 109.6 45.6 -85.7 59.0 -18.1 -10.3 -13.1 60 61 D A T 3 5S- 0 0 60 -2,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.173 116.5-106.3-177.5 3.9 -18.8 -13.4 -15.1 61 62 D G T < 5S+ 0 0 9 -3,-1.7 -3,-0.2 62,-0.2 62,-0.2 0.928 84.5 123.3 56.6 49.5 -22.5 -13.1 -15.7 62 63 D E >>< + 0 0 53 -5,-2.2 3,-1.8 61,-0.1 4,-0.7 0.100 22.1 119.7-125.2 19.9 -23.3 -15.8 -13.2 63 64 D V G >4 S+ 0 0 5 -6,-0.3 3,-1.1 1,-0.3 6,-0.5 0.840 72.9 59.8 -51.3 -40.6 -25.6 -13.7 -10.9 64 65 D A G 34 S+ 0 0 2 1,-0.3 -1,-0.3 55,-0.2 9,-0.1 0.745 99.6 58.7 -61.9 -25.0 -28.4 -16.1 -11.7 65 66 D D G <4 S+ 0 0 60 -3,-1.8 -1,-0.3 -8,-0.1 -2,-0.2 0.697 85.9 96.6 -78.4 -22.1 -26.3 -18.9 -10.2 66 67 D N S XX S- 0 0 8 -3,-1.1 3,-2.0 -4,-0.7 4,-1.3 -0.471 83.3-123.5 -74.4 141.8 -26.0 -17.2 -6.8 67 68 D A T 34 S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.2 -3,-0.1 0.499 110.4 65.5 -60.6 -4.1 -28.4 -18.3 -4.0 68 69 D A T 34 S+ 0 0 1 -5,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.755 102.0 45.9 -89.0 -26.5 -29.4 -14.6 -3.8 69 70 D A T X> S+ 0 0 1 -3,-2.0 4,-3.1 -6,-0.5 3,-0.8 0.832 96.7 77.1 -81.4 -37.2 -31.0 -14.7 -7.3 70 71 D K H 3X S+ 0 0 81 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.848 86.6 54.5 -41.5 -59.6 -32.8 -18.0 -6.8 71 72 D P H 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.882 120.0 35.8 -49.0 -40.0 -35.8 -16.9 -4.7 72 73 D L H X> S+ 0 0 20 -3,-0.8 4,-1.9 -4,-0.4 3,-1.3 0.872 112.5 57.3 -81.6 -39.3 -36.5 -14.3 -7.4 73 74 D I H 3X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.3 -3,-0.2 0.842 106.2 53.8 -59.2 -32.7 -35.5 -16.4 -10.4 74 75 D T H 3< S+ 0 0 74 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.623 106.4 50.2 -80.2 -11.8 -38.1 -19.0 -9.2 75 76 D T H <> S+ 0 0 87 -3,-1.3 4,-0.8 -4,-0.2 -2,-0.2 0.827 115.9 41.6 -90.9 -34.7 -40.9 -16.5 -9.1 76 77 D L H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 3,-0.4 0.923 98.3 70.4 -76.5 -49.3 -40.3 -15.2 -12.6 77 78 D L H X S+ 0 0 7 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.830 102.0 46.7 -39.9 -46.0 -39.6 -18.4 -14.5 78 79 D P H > S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.940 110.2 51.5 -65.4 -45.8 -43.3 -19.5 -14.2 79 80 D K H X S+ 0 0 108 -4,-0.8 4,-1.5 -3,-0.4 -2,-0.2 0.823 114.6 46.4 -59.6 -31.5 -44.7 -16.2 -15.2 80 81 D M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.937 108.9 50.4 -76.7 -52.0 -42.4 -16.3 -18.3 81 82 D I H X S+ 0 0 18 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.881 111.7 52.1 -54.7 -37.2 -43.1 -19.9 -19.3 82 83 D A H X S+ 0 0 46 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.934 109.0 47.6 -64.4 -49.2 -46.8 -19.0 -19.1 83 84 D R H X S+ 0 0 37 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.876 111.2 52.7 -59.8 -39.8 -46.4 -16.0 -21.4 84 85 D I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.925 112.7 44.0 -63.8 -44.0 -44.4 -18.0 -23.8 85 86 D N H X S+ 0 0 65 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.946 112.8 50.0 -67.3 -47.8 -47.1 -20.6 -24.0 86 87 D D H >X S+ 0 0 86 -4,-3.2 4,-1.7 1,-0.2 3,-1.7 0.961 111.6 51.2 -53.1 -51.7 -50.0 -18.1 -24.2 87 88 D W H 3X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.3 5,-0.3 0.904 101.4 58.4 -52.0 -50.4 -48.1 -16.4 -27.0 88 89 D F H 3X S+ 0 0 11 -4,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.742 108.3 51.3 -53.9 -21.0 -47.6 -19.6 -29.0 89 90 D E H - 0 0 62 0, 0.0 4,-0.7 0, 0.0 3,-0.2 -0.050 38.5-116.7 -44.5 144.6 -43.8 -14.0 -36.7 100 101 D T T 4 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 111,-0.1 0.723 113.0 54.0 -60.2 -20.8 -40.2 -14.7 -37.8 101 102 D A T >> S+ 0 0 4 109,-0.2 4,-1.8 2,-0.1 3,-1.5 0.891 88.6 73.0 -81.1 -44.7 -39.4 -15.7 -34.2 102 103 D F T 34 S+ 0 0 13 1,-0.3 4,-0.4 -3,-0.2 -2,-0.1 0.845 93.0 57.0 -35.8 -55.7 -42.1 -18.4 -33.6 103 104 D Q T 3< S+ 0 0 133 -4,-0.7 3,-0.5 1,-0.2 -1,-0.3 0.819 110.3 42.4 -49.6 -41.4 -40.5 -20.9 -35.8 104 105 D F T X4 S+ 0 0 26 -3,-1.5 3,-1.5 -4,-0.4 4,-0.5 0.869 106.0 59.9 -77.3 -39.7 -37.1 -20.9 -33.9 105 106 D L T 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.444 92.8 73.3 -69.0 1.4 -38.6 -20.9 -30.4 106 107 D Q T 3 S+ 0 0 73 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.688 81.9 68.5 -88.4 -21.8 -40.2 -24.2 -31.3 107 108 D E S < S+ 0 0 108 -3,-1.5 -2,-0.1 -4,-0.2 -1,-0.1 0.995 100.2 42.5 -59.5 -69.1 -37.0 -26.2 -31.2 108 109 D I S S- 0 0 21 -4,-0.5 40,-0.1 1,-0.1 36,-0.0 -0.342 99.2 -90.3 -79.1 160.9 -36.3 -26.0 -27.4 109 110 D K >> - 0 0 72 1,-0.1 4,-1.9 -2,-0.1 3,-0.6 -0.367 34.3-117.2 -69.6 147.8 -38.9 -26.4 -24.6 110 111 D P H 3> S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.920 114.3 53.3 -52.3 -50.5 -40.7 -23.3 -23.3 111 112 D E H 3> S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.840 107.5 53.2 -55.4 -34.1 -39.2 -23.6 -19.8 112 113 D A H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.935 108.5 48.7 -65.1 -47.9 -35.7 -23.8 -21.3 113 114 D V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.909 110.8 51.7 -57.1 -45.8 -36.3 -20.6 -23.3 114 115 D A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.905 112.3 44.2 -60.7 -46.5 -37.6 -18.8 -20.2 115 116 D Y H X S+ 0 0 8 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.942 112.9 50.6 -65.8 -46.9 -34.6 -19.7 -18.1 116 117 D I H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.804 114.0 47.5 -60.5 -29.0 -32.1 -18.9 -20.8 117 118 D T H X>S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 5,-0.5 0.958 113.7 44.6 -76.3 -52.6 -33.8 -15.5 -21.1 118 119 D I H X5S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.946 122.1 40.2 -54.5 -50.2 -33.9 -14.8 -17.4 119 120 D K H X5S+ 0 0 8 -4,-3.4 4,-1.5 -5,-0.2 -55,-0.2 0.969 115.1 46.6 -65.7 -59.0 -30.3 -15.9 -17.0 120 121 D T H >X5S+ 0 0 18 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- 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.048 28.6 -96.2 -59.1 163.2 -34.3 -62.8 6.9 845 863 D A - 0 0 89 1,-0.1 3,-0.1 3,-0.0 -165,-0.0 -0.580 49.2 -87.1 -84.1 147.1 -33.3 -64.1 10.4 846 864 D L - 0 0 56 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.213 57.1-102.6 -48.1 136.1 -30.7 -62.3 12.4 847 865 D P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.291 43.2 -96.1 -64.7 154.1 -27.3 -63.8 11.3 848 866 D A - 0 0 77 -3,-0.1 2,-0.2 1,-0.1 -3,-0.0 -0.382 34.4-119.3 -72.3 147.5 -25.8 -66.3 13.7 849 867 D K - 0 0 89 1,-0.1 -316,-0.3 -2,-0.1 -317,-0.1 -0.505 29.4-138.6 -81.9 155.6 -23.1 -65.2 16.2 850 868 D G - 0 0 34 -318,-2.6 -316,-0.2 -321,-0.2 -1,-0.1 -0.117 26.9 -89.1-100.0-159.3 -19.7 -66.7 16.0 851 869 D N S S+ 0 0 140 -2,-0.1 -317,-0.2 2,-0.1 -318,-0.1 0.433 72.0 130.8 -96.6 -1.6 -17.1 -68.0 18.5 852 870 D L - 0 0 8 -319,-2.7 2,-0.8 -323,-0.1 -317,-0.1 -0.276 50.3-145.2 -53.6 132.6 -15.2 -64.8 19.2 853 871 D N > - 0 0 78 1,-0.1 3,-1.8 -318,-0.1 4,-0.4 -0.916 4.4-154.1-101.8 110.6 -14.9 -64.3 23.0 854 872 D L G > S+ 0 0 1 -2,-0.8 3,-1.7 1,-0.3 4,-0.4 0.787 87.2 73.3 -57.4 -28.9 -15.0 -60.6 23.4 855 873 D R G > S+ 0 0 136 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.844 86.5 67.6 -53.1 -33.4 -13.0 -60.8 26.7 856 874 D D G X> S+ 0 0 58 -3,-1.8 3,-1.3 1,-0.3 4,-0.7 0.809 82.8 71.2 -56.7 -34.5 -10.0 -61.4 24.5 857 875 D I G <4 S+ 0 0 0 -3,-1.7 3,-0.4 -4,-0.4 -1,-0.3 0.782 90.2 63.3 -54.0 -26.6 -10.2 -57.9 23.0 858 876 D L G <4 S+ 0 0 56 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.853 107.2 39.9 -68.0 -35.2 -9.0 -56.8 26.5 859 877 D E T <4 S+ 0 0 133 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.2 0.444 92.6 110.9 -92.6 -0.5 -5.7 -58.6 26.0 860 878 D S < - 0 0 1 -4,-0.7 4,-0.3 -3,-0.4 -317,-0.0 -0.607 46.5-172.5 -75.6 129.3 -5.5 -57.6 22.4 861 879 D D S S+ 0 0 71 -2,-0.4 3,-0.2 -315,-0.2 -1,-0.1 0.771 76.9 47.5 -93.9 -27.2 -2.7 -55.1 21.8 862 880 D F S S+ 0 0 18 -320,-0.2 3,-0.2 1,-0.2 -341,-0.1 0.404 87.8 81.2 -98.7 4.3 -3.2 -54.1 18.2 863 881 D A + 0 0 0 -321,-0.2 2,-2.5 1,-0.2 -342,-0.5 0.915 57.1 173.2 -70.7 -40.1 -7.0 -53.4 18.3 864 882 D F 0 0 18 -4,-0.3 -1,-0.2 -3,-0.2 -344,-0.2 -0.477 360.0 360.0 62.1 -76.7 -6.4 -49.9 19.8 865 883 D A 0 0 2 -2,-2.5 -346,-0.1 -3,-0.2 -2,-0.1 0.200 360.0 360.0 -76.1 360.0 -10.1 -49.2 19.3