==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 03-JAN-12 3VCB . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE HEPATITIS VIRUS; . AUTHOR X.L.XU . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 78.7 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 . 24 13.5 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 . 1 0.6 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 1 0 1 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 A S >> 0 0 113 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 128.3 5.0 6.4 1.6 2 1 A T H 3> + 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.694 360.0 53.7 -20.1 -59.5 7.5 8.2 3.9 3 2 A F H 3> S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.944 117.4 34.6 -51.2 -57.2 5.1 10.8 5.1 4 3 A E H <> S+ 0 0 48 -3,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.873 112.2 59.3 -66.8 -43.2 2.5 8.3 6.4 5 4 A E H >< S+ 0 0 111 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.958 112.6 41.2 -50.9 -51.3 4.9 5.6 7.5 6 5 A M H >< S+ 0 0 43 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.790 100.0 68.8 -68.5 -31.4 6.4 8.1 9.9 7 6 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.717 99.8 56.8 -59.0 -15.9 3.1 9.6 11.0 8 7 A L T << S+ 0 0 45 -3,-1.1 -1,-0.3 -4,-0.8 2,-0.2 0.529 103.1 64.0 -91.8 -7.5 2.8 6.2 12.5 9 8 A T S < S- 0 0 62 -3,-2.3 2,-0.6 -4,-0.1 -3,-0.0 -0.746 81.7-115.2-116.6 162.7 6.0 6.4 14.6 10 9 A T + 0 0 75 -2,-0.2 2,-0.3 68,-0.2 68,-0.2 -0.860 49.4 149.3 -99.7 122.7 7.3 8.6 17.4 11 10 A F E -A 77 0A 33 66,-1.7 66,-3.7 -2,-0.6 2,-0.6 -0.984 49.6-106.3-151.3 159.2 10.2 10.8 16.5 12 11 A M E -A 76 0A 88 -2,-0.3 2,-0.6 64,-0.3 64,-0.2 -0.785 36.8-130.9 -88.8 123.5 11.9 14.1 17.3 13 12 A I E +A 75 0A 0 62,-2.6 62,-1.0 -2,-0.6 2,-0.2 -0.672 37.0 169.2 -78.9 120.2 11.2 16.6 14.4 14 13 A T >> - 0 0 52 -2,-0.6 4,-3.0 60,-0.1 3,-0.6 -0.760 54.1 -91.8-123.9 169.5 14.5 18.2 13.4 15 14 A K H 3> S+ 0 0 157 1,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.886 128.6 50.0 -47.7 -38.8 15.6 20.4 10.5 16 15 A E H 3> S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.822 113.5 40.7 -73.7 -33.2 16.5 17.2 8.8 17 16 A S H <> S+ 0 0 20 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.764 112.8 55.5 -87.1 -24.5 13.3 15.3 9.4 18 17 A Y H X S+ 0 0 31 -4,-3.0 4,-2.5 2,-0.2 3,-0.4 0.997 112.5 42.9 -63.0 -66.2 11.1 18.3 8.7 19 18 A S H X S+ 0 0 42 -4,-1.7 4,-2.5 1,-0.3 5,-0.3 0.841 110.5 52.2 -46.3 -53.5 12.7 18.8 5.3 20 19 A K H X S+ 0 0 113 -4,-1.6 4,-1.4 1,-0.2 -1,-0.3 0.941 115.2 45.7 -52.6 -45.4 12.8 15.1 4.2 21 20 A L H X S+ 0 0 0 -4,-1.5 4,-1.1 -3,-0.4 -2,-0.2 0.899 111.8 50.1 -63.7 -43.0 9.1 15.0 5.0 22 21 A K H < S+ 0 0 44 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.888 108.0 52.0 -64.1 -41.8 8.2 18.3 3.3 23 22 A N H < S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 105.9 56.3 -63.0 -38.4 10.0 17.4 -0.0 24 23 A S H < S+ 0 0 67 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.2 0.833 102.0 63.3 -63.0 -38.1 8.1 14.1 -0.2 25 24 A V S < S- 0 0 24 -4,-1.1 2,-0.0 -3,-0.3 -1,-0.0 -0.757 80.8-124.4-101.5 138.9 4.7 15.7 -0.1 26 25 A S > - 0 0 71 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.354 28.8-115.8 -69.2 154.8 3.0 18.0 -2.5 27 26 A D H > S+ 0 0 108 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.909 119.1 56.3 -58.9 -41.0 1.7 21.3 -1.0 28 27 A V H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 111.9 42.0 -54.2 -45.2 -1.8 20.2 -1.9 29 28 A A H > S+ 0 0 26 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.964 115.6 48.1 -68.4 -54.1 -1.3 17.0 0.1 30 29 A F H X S+ 0 0 2 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.938 116.1 43.9 -53.8 -50.2 0.5 18.7 3.1 31 30 A N H X S+ 0 0 77 -4,-3.3 4,-3.3 -5,-0.2 -1,-0.2 0.900 109.1 56.2 -66.8 -38.1 -2.1 21.3 3.3 32 31 A R H X S+ 0 0 122 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.977 113.2 42.7 -54.5 -53.1 -5.0 18.9 2.9 33 32 A Y H >X S+ 0 0 45 -4,-2.8 4,-1.1 2,-0.3 3,-0.5 0.958 112.0 51.5 -54.8 -56.9 -3.6 17.0 5.9 34 33 A L H >X S+ 0 0 36 -4,-3.4 3,-0.8 1,-0.3 4,-0.5 0.904 112.6 49.8 -47.4 -41.6 -2.9 20.1 7.8 35 34 A S H >< S+ 0 0 83 -4,-3.3 3,-0.9 1,-0.3 -1,-0.3 0.835 103.8 56.3 -68.8 -35.1 -6.5 21.0 7.0 36 35 A L H XX S+ 0 0 34 -4,-2.2 4,-1.9 -3,-0.5 3,-1.7 0.603 87.3 80.3 -73.9 -8.7 -7.8 17.6 8.2 37 36 A Y H < S+ 0 0 6 -4,-1.9 3,-1.1 1,-0.2 139,-0.3 0.766 98.3 74.5 -74.8 -29.5 -9.6 14.7 13.8 41 40 A R T 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.834 111.6 34.4 -53.1 -26.8 -8.5 17.1 16.6 42 41 A Y T < S+ 0 0 144 -3,-0.6 2,-0.3 -5,-0.2 -1,-0.3 0.411 91.5 112.4-107.7 -2.9 -12.2 16.8 17.6 43 42 A F < + 0 0 66 -3,-1.1 135,-2.6 -4,-0.1 136,-0.5 -0.572 38.3 175.1 -75.1 132.9 -12.8 13.2 16.6 44 43 A S E +B 177 0B 67 -2,-0.3 2,-0.3 133,-0.2 133,-0.2 -0.798 44.6 28.6-141.6 96.1 -13.5 11.0 19.6 45 44 A G E S-B 176 0B 19 131,-1.8 131,-1.3 -2,-0.3 2,-0.1 -0.975 91.3 -8.8 154.1-166.6 -14.4 7.4 18.9 46 45 A K E +B 175 0B 140 -2,-0.3 2,-0.3 129,-0.2 129,-0.2 -0.371 51.3 159.6 -70.1 138.4 -14.2 4.5 16.5 47 46 A M E -B 174 0B 15 127,-1.8 127,-2.3 -2,-0.1 2,-0.1 -0.924 37.8-110.4-147.8 157.9 -12.7 4.8 13.0 48 47 A D > - 0 0 98 -2,-0.3 4,-2.1 125,-0.2 3,-0.5 -0.370 43.2 -87.3 -88.7 176.4 -11.3 2.1 10.8 49 48 A T H > S+ 0 0 57 123,-0.5 4,-1.6 1,-0.2 5,-0.1 0.811 124.5 49.7 -52.5 -42.8 -7.5 1.6 9.9 50 49 A A H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.841 110.7 51.8 -67.6 -35.2 -7.3 4.0 6.9 51 50 A A H > S+ 0 0 15 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.926 107.6 51.2 -66.6 -47.7 -9.0 6.8 8.9 52 51 A Y H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.871 109.8 51.8 -58.6 -36.6 -6.5 6.3 11.8 53 52 A R H X S+ 0 0 75 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.905 110.8 45.3 -66.4 -42.9 -3.8 6.6 9.2 54 53 A E H X S+ 0 0 45 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.836 112.0 55.6 -67.3 -30.6 -5.2 9.9 7.7 55 54 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.893 106.0 49.0 -66.9 -41.9 -5.6 11.0 11.4 56 55 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.796 110.1 52.8 -69.3 -29.8 -1.9 10.4 12.1 57 56 A C H X S+ 0 0 1 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.929 106.4 50.5 -71.7 -45.9 -1.0 12.4 9.1 58 57 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.868 111.0 52.2 -59.0 -34.2 -3.1 15.4 10.0 59 58 A Q H X S+ 0 0 38 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.821 111.9 43.9 -70.6 -34.5 -1.4 15.2 13.4 60 59 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.874 109.6 55.0 -78.2 -39.6 2.1 15.2 11.8 61 60 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.926 112.1 46.7 -56.2 -43.2 1.3 17.9 9.4 62 61 A K H X S+ 0 0 67 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.891 109.5 51.5 -65.4 -46.1 0.3 19.9 12.4 63 62 A A H X S+ 0 0 13 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.838 108.9 53.2 -60.9 -34.6 3.4 19.0 14.4 64 63 A M H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.881 108.8 48.0 -67.5 -40.6 5.5 20.2 11.4 65 64 A E H X S+ 0 0 48 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.860 111.5 50.4 -70.4 -33.3 3.7 23.5 11.4 66 65 A T H < S+ 0 0 59 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.865 113.2 47.6 -69.2 -34.7 4.3 23.7 15.1 67 66 A F H ><>S+ 0 0 12 -4,-2.0 3,-2.1 -5,-0.2 5,-1.7 0.992 111.9 48.2 -65.3 -59.7 8.0 22.9 14.4 68 67 A N H ><5S+ 0 0 70 -4,-3.3 3,-0.8 1,-0.3 -2,-0.2 0.847 112.0 50.8 -48.2 -42.2 8.3 25.5 11.6 69 68 A H T 3<5S+ 0 0 114 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.219 101.1 58.5 -90.3 18.6 6.7 28.2 13.6 70 69 A N T X 5S- 0 0 86 -3,-2.1 3,-1.1 3,-0.1 -1,-0.2 -0.106 121.9 -96.1-131.3 30.2 8.8 27.9 16.8 71 70 A N T < 5S- 0 0 151 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.742 73.5 -61.6 63.2 29.6 12.0 28.6 14.9 72 71 A G T 3 0 0 95 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 162.7 9.6 -5.7 7.2 92 1 B T H > + 0 0 59 3,-0.2 4,-3.3 2,-0.2 5,-0.2 0.943 360.0 49.4 -62.2 -49.8 7.8 -7.4 4.4 93 2 B F H > S+ 0 0 6 21,-0.4 4,-2.2 2,-0.2 5,-0.2 0.973 117.8 35.9 -54.6 -66.7 6.1 -10.1 6.5 94 3 B E H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.837 117.4 55.9 -58.3 -33.6 4.6 -7.9 9.2 95 4 B E H >< S+ 0 0 102 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.954 110.0 44.9 -60.6 -48.7 4.0 -5.3 6.6 96 5 B M H >< S+ 0 0 35 -4,-3.3 3,-1.6 1,-0.3 -2,-0.2 0.784 102.4 64.4 -63.5 -33.8 2.0 -7.9 4.6 97 6 B A T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.521 100.2 56.7 -69.2 -5.2 0.2 -9.1 7.7 98 7 B L T < S+ 0 0 45 -3,-1.4 2,-0.3 -5,-0.2 -1,-0.3 -0.018 102.6 65.8-114.1 26.1 -1.3 -5.6 7.7 99 8 B T S < S- 0 0 55 -3,-1.6 2,-0.4 2,-0.0 0, 0.0 -0.983 80.0-116.1-145.2 154.4 -2.7 -5.8 4.2 100 9 B T + 0 0 84 -2,-0.3 2,-0.3 68,-0.1 68,-0.2 -0.786 52.9 128.9 -95.1 133.2 -5.4 -7.7 2.5 101 10 B F E -E 167 0C 36 66,-2.3 66,-2.8 -2,-0.4 2,-0.3 -0.978 56.0 -84.1-170.2 170.0 -4.3 -10.0 -0.3 102 11 B M E -E 166 0C 94 -2,-0.3 2,-0.8 64,-0.2 64,-0.2 -0.691 30.4-137.3 -89.5 137.2 -4.5 -13.5 -1.7 103 12 B I E +E 165 0C 0 62,-3.8 62,-1.7 -2,-0.3 2,-0.2 -0.861 46.3 150.9 -93.1 115.8 -2.2 -16.2 -0.4 104 13 B T > - 0 0 37 -2,-0.8 4,-3.3 60,-0.2 5,-0.4 -0.662 61.8 -77.1-132.1-173.5 -1.0 -18.0 -3.6 105 14 B K H > S+ 0 0 132 58,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.981 132.7 33.5 -50.9 -67.7 1.9 -20.0 -5.0 106 15 B E H > S+ 0 0 125 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.947 120.8 51.9 -51.2 -56.8 4.0 -16.8 -5.6 107 16 B S H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.908 111.9 43.0 -46.3 -59.8 2.6 -15.0 -2.6 108 17 B Y H X S+ 0 0 30 -4,-3.3 4,-2.1 2,-0.2 5,-0.2 0.883 113.5 52.0 -58.0 -44.7 3.2 -17.8 -0.1 109 18 B S H X S+ 0 0 64 -4,-2.2 4,-1.5 -5,-0.4 -1,-0.2 0.923 108.7 51.8 -58.5 -46.0 6.7 -18.5 -1.5 110 19 B K H < S+ 0 0 96 -4,-2.9 3,-0.3 -5,-0.2 -2,-0.2 0.963 113.1 45.9 -53.0 -53.6 7.5 -14.8 -1.2 111 20 B L H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.732 105.3 55.7 -64.4 -31.6 6.3 -14.9 2.5 112 21 B K H >< S+ 0 0 45 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.876 109.3 51.2 -71.4 -31.6 8.1 -18.0 3.7 113 22 B N T 3< S+ 0 0 137 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.389 102.6 59.0 -84.5 1.7 11.3 -16.4 2.5 114 23 B S T < S+ 0 0 51 -3,-0.8 -21,-0.4 -4,-0.1 2,-0.3 0.315 106.9 47.9-111.0 6.4 10.8 -13.1 4.3 115 24 B V S < S- 0 0 26 -3,-0.8 2,-0.2 -4,-0.2 -1,-0.1 -0.984 81.8-113.9-146.3 152.5 10.6 -14.7 7.8 116 25 B S > - 0 0 68 -2,-0.3 4,-3.5 1,-0.1 3,-0.3 -0.615 24.5-128.9 -84.6 146.3 12.5 -17.2 9.8 117 26 B D H > S+ 0 0 93 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.806 110.3 59.7 -66.4 -27.2 10.8 -20.5 10.7 118 27 B V H > S+ 0 0 126 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.875 114.4 36.4 -66.2 -35.0 11.7 -20.0 14.3 119 28 B A H > S+ 0 0 26 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.882 115.6 54.4 -81.5 -42.4 9.7 -16.7 14.2 120 29 B F H X S+ 0 0 1 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.938 112.2 44.1 -55.7 -49.0 7.1 -18.2 11.8 121 30 B N H X S+ 0 0 92 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.745 111.6 54.2 -70.0 -22.2 6.5 -21.1 14.3 122 31 B R H >X S+ 0 0 133 -4,-0.6 4,-1.8 -5,-0.2 3,-0.5 0.922 110.0 46.7 -73.6 -43.5 6.5 -18.6 17.1 123 32 B Y H 3X S+ 0 0 41 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.858 108.1 56.1 -61.2 -41.9 3.8 -16.6 15.3 124 33 B L H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.749 107.6 51.0 -63.8 -26.8 1.8 -19.7 14.6 125 34 B S H X< S+ 0 0 69 -4,-0.8 3,-1.6 -3,-0.5 4,-0.5 0.919 105.8 50.9 -76.4 -51.2 1.8 -20.5 18.4 126 35 B L H >X S+ 0 0 9 -4,-1.8 3,-2.4 1,-0.3 4,-1.5 0.819 90.3 80.4 -56.8 -36.5 0.5 -17.1 19.7 127 36 B Y H 3X S+ 0 0 11 -4,-1.4 4,-3.6 1,-0.3 -1,-0.3 0.793 90.4 54.3 -41.6 -33.8 -2.4 -17.4 17.2 128 37 B N H <4 S+ 0 0 117 -3,-1.6 4,-0.4 -4,-0.2 -1,-0.3 0.810 100.8 59.7 -71.9 -32.0 -3.9 -19.7 19.8 129 38 B K H <4 S+ 0 0 135 -3,-2.4 -2,-0.2 -4,-0.5 -1,-0.2 0.916 122.7 21.2 -61.9 -43.6 -3.5 -16.9 22.4 130 39 B Y H >< S+ 0 0 27 -4,-1.5 3,-4.2 1,-0.1 -42,-0.2 0.774 88.4 106.6 -97.1 -32.8 -5.7 -14.6 20.3 131 40 B R T 3< S+ 0 0 102 -4,-3.6 -43,-0.5 1,-0.3 -3,-0.1 0.665 97.5 26.3 -12.7 -63.7 -7.8 -16.8 18.1 132 41 B Y T 3 S+ 0 0 205 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.019 94.9 117.3-102.2 28.0 -10.9 -16.2 20.2 133 42 B F < + 0 0 94 -3,-4.2 2,-0.4 2,-0.0 -45,-0.3 -0.803 34.4 177.6-100.7 136.4 -10.2 -12.8 21.7 134 43 B S + 0 0 84 -2,-0.4 2,-0.2 -47,-0.1 -47,-0.2 -0.993 39.4 54.1-133.9 139.4 -12.3 -9.7 20.9 135 44 B G E S-C 86 0B 27 -49,-1.0 -49,-2.8 -2,-0.4 -51,-0.0 -0.779 85.3 -24.4 131.3-174.9 -11.9 -6.2 22.4 136 45 B K E +C 85 0B 148 -51,-0.3 2,-0.3 -2,-0.2 -51,-0.2 -0.263 51.5 160.1 -73.6 155.8 -9.2 -3.5 22.8 137 46 B M E -C 84 0B 25 -53,-0.8 -53,-1.8 -2,-0.0 2,-0.1 -0.955 45.9 -80.4-165.3 157.1 -5.3 -4.0 22.8 138 47 B D E >> -C 83 0B 99 -2,-0.3 4,-2.0 -55,-0.2 3,-1.4 -0.381 40.8-114.0 -69.0 145.5 -2.3 -1.7 22.2 139 48 B T H 3> S+ 0 0 60 -57,-0.8 4,-1.4 1,-0.3 -1,-0.1 0.732 118.2 54.9 -47.9 -29.3 -1.4 -1.0 18.6 140 49 B A H 3> S+ 0 0 53 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.838 107.4 48.6 -75.8 -33.9 1.9 -2.9 19.2 141 50 B A H <> S+ 0 0 16 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.808 106.8 57.9 -73.9 -30.6 -0.0 -6.0 20.3 142 51 B Y H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 105.7 49.6 -63.9 -43.5 -2.2 -5.7 17.3 143 52 B R H X S+ 0 0 101 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.865 112.3 45.8 -63.0 -41.7 0.8 -5.9 15.0 144 53 B E H X S+ 0 0 65 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.912 113.4 52.0 -66.5 -42.5 2.2 -8.9 16.7 145 54 B A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.866 105.6 53.7 -59.9 -43.1 -1.3 -10.4 16.6 146 55 B A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.814 105.1 54.0 -64.1 -34.3 -1.7 -9.8 12.8 147 56 B C H X S+ 0 0 3 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.893 105.4 55.0 -67.2 -36.7 1.5 -11.6 12.1 148 57 B S H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.904 108.4 47.3 -59.6 -45.8 0.0 -14.6 14.0 149 58 B Q H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.796 109.7 53.4 -67.0 -31.3 -3.0 -14.6 11.8 150 59 B L H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.891 108.0 51.8 -70.7 -37.2 -0.8 -14.4 8.7 151 60 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 3,-0.5 0.964 112.2 44.1 -61.3 -53.9 1.1 -17.4 10.0 152 61 B K H X S+ 0 0 89 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.890 111.3 54.1 -56.8 -45.2 -2.1 -19.5 10.5 153 62 B A H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.802 110.0 50.5 -59.6 -31.1 -3.5 -18.3 7.1 154 63 B M H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.5 -2,-0.2 0.875 107.2 48.4 -76.7 -42.9 -0.2 -19.5 5.6 155 64 B E H X S+ 0 0 55 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.844 110.0 56.4 -69.0 -28.6 -0.1 -23.0 7.1 156 65 B T H >< S+ 0 0 61 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.966 108.6 44.6 -64.6 -50.8 -3.7 -23.4 6.0 157 66 B F H >X>S+ 0 0 10 -4,-1.6 3,-1.4 1,-0.2 5,-1.0 0.895 111.5 55.0 -57.6 -43.1 -2.8 -22.6 2.3 158 67 B N H 3<5S+ 0 0 64 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.780 110.1 44.3 -63.3 -30.1 0.2 -24.9 2.5 159 68 B H T <<5S+ 0 0 125 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 -0.048 100.5 73.1-106.3 31.3 -1.9 -27.9 3.6 160 69 B N T <45S- 0 0 52 -3,-1.4 -1,-0.2 -5,-0.0 -2,-0.2 0.532 113.2-109.9-110.7 -23.1 -4.5 -27.1 1.0 161 70 B N T <5S- 0 0 155 -4,-0.5 -3,-0.1 -3,-0.4 -2,-0.1 0.844 78.2 -47.3 86.7 45.3 -2.3 -28.3 -1.8 162 71 B G S