==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-SEP-12 4H3C . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.ZHU,E.OLDFIELD . 416 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 13.5 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 1 2 0 1 0 0 1 1 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 2 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 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 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 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 15 A A 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.0 24.6 13.7 52.4 2 16 A H - 0 0 34 1,-0.1 3,-0.1 2,-0.1 0, 0.0 0.804 360.0-139.4 -60.4 -19.7 24.6 17.5 52.2 3 17 A G + 0 0 52 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.543 55.9 132.6 81.1 2.7 25.7 17.0 48.6 4 18 A C + 0 0 4 1,-0.1 -1,-0.2 158,-0.0 45,-0.2 -0.797 24.3 168.1 -98.8 120.3 28.2 19.9 48.7 5 19 A R S S+ 0 0 116 -2,-0.5 45,-2.0 1,-0.3 44,-1.6 0.800 71.6 27.7 -95.5 -32.7 31.7 19.3 47.3 6 20 A H E -a 50 0A 1 154,-0.3 156,-2.0 43,-0.2 157,-1.4 -0.994 63.3-175.8-141.0 118.5 33.1 23.0 47.1 7 21 A V E -ab 51 163A 0 43,-2.1 45,-2.1 -2,-0.4 2,-0.4 -0.948 6.3-164.1-113.9 135.4 32.0 25.9 49.4 8 22 A A E -ab 52 164A 0 155,-2.6 157,-2.7 -2,-0.4 2,-0.4 -0.945 8.1-158.7-119.0 141.9 33.4 29.4 48.9 9 23 A I E -ab 53 165A 0 43,-2.6 45,-2.4 -2,-0.4 2,-0.8 -0.993 18.4-153.7-128.7 128.5 33.0 32.1 51.6 10 24 A I E -ab 54 166A 0 155,-3.0 157,-1.8 -2,-0.4 2,-1.5 -0.902 25.3-152.6 -92.2 109.6 33.1 35.9 51.5 11 25 A M E +a 55 0A 17 43,-2.4 45,-0.5 -2,-0.8 3,-0.3 -0.450 32.2 153.8 -86.0 72.3 34.2 36.5 55.1 12 26 A D + 0 0 37 -2,-1.5 181,-1.7 155,-0.4 157,-0.1 -0.566 35.3 61.6-108.1 155.2 32.8 40.0 55.9 13 27 A G > + 0 0 4 43,-0.3 4,-2.3 179,-0.2 -1,-0.2 0.374 57.9 118.6 120.6 -1.2 31.9 41.6 59.2 14 28 A N H > S+ 0 0 26 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.895 81.2 46.2 -62.9 -42.4 35.2 41.6 61.1 15 29 A G H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 114.4 46.4 -66.2 -48.4 35.3 45.5 61.4 16 30 A R H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 110.0 54.7 -60.7 -36.4 31.6 45.8 62.4 17 31 A W H X S+ 0 0 39 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.927 110.4 44.8 -65.1 -45.7 32.1 43.0 65.0 18 32 A A H ><>S+ 0 0 1 -4,-1.9 5,-3.0 2,-0.2 3,-0.8 0.923 112.0 53.2 -64.3 -49.1 35.1 44.8 66.7 19 33 A K H ><5S+ 0 0 169 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.938 106.3 53.3 -50.6 -51.0 33.1 48.2 66.6 20 34 A K H 3<5S+ 0 0 158 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 110.2 47.8 -54.5 -31.2 30.1 46.6 68.4 21 35 A Q T <<5S- 0 0 107 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.344 119.2-110.5 -87.1 -1.1 32.5 45.4 71.1 22 36 A G T < 5S+ 0 0 75 -3,-2.0 2,-0.4 -4,-0.3 -3,-0.2 0.814 75.3 138.3 65.8 33.3 34.2 48.9 71.5 23 37 A K < - 0 0 83 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.861 58.4-116.5-110.0 153.6 37.4 47.5 69.9 24 38 A I >> - 0 0 117 -2,-0.4 3,-1.9 -3,-0.1 4,-0.6 -0.328 44.0 -98.0 -72.4 158.5 39.8 48.7 67.5 25 39 A R H >> S+ 0 0 54 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.715 113.0 72.6 -49.9 -36.9 40.0 46.7 64.4 26 40 A A H 3> S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.731 98.8 55.3 -55.8 -21.3 43.1 44.4 65.2 27 41 A F H <> S+ 0 0 102 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.861 103.4 50.4 -79.8 -43.3 40.7 42.6 67.5 28 42 A G H <>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 3,-1.1 0.937 112.3 50.2 -61.1 -48.7 34.9 21.6 56.5 44 58 A A H ><5S+ 0 0 42 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.844 113.9 47.0 -58.7 -37.5 37.6 19.0 56.8 45 59 A N H 3<5S+ 0 0 133 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.524 108.1 55.0 -81.0 -7.8 35.4 17.0 59.3 46 60 A N T <<5S- 0 0 66 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.022 113.6-103.9-117.0 24.8 32.2 17.1 57.2 47 61 A G T < 5 + 0 0 63 -3,-0.5 2,-0.2 1,-0.2 -3,-0.1 0.643 64.3 152.9 72.7 13.9 33.5 15.7 53.9 48 62 A I < - 0 0 7 -5,-1.6 -1,-0.2 -6,-0.2 -43,-0.2 -0.530 33.7-154.1 -76.8 139.9 33.7 18.9 51.9 49 63 A E S S+ 0 0 87 -44,-1.6 61,-2.7 1,-0.3 2,-0.3 0.868 71.4 16.4 -80.4 -39.2 36.4 18.6 49.1 50 64 A A E -ac 6 110A 2 -45,-2.0 -43,-2.1 59,-0.2 2,-0.4 -0.999 55.1-170.1-139.8 145.7 37.3 22.2 48.7 51 65 A L E -ac 7 111A 0 59,-2.4 61,-2.8 -2,-0.3 2,-0.5 -0.998 8.7-166.2-136.2 126.0 36.9 25.4 50.7 52 66 A T E -ac 8 112A 0 -45,-2.1 -43,-2.6 -2,-0.4 2,-0.4 -0.969 8.6-160.5-121.3 124.1 37.8 28.7 49.1 53 67 A L E -ac 9 113A 5 59,-3.0 61,-2.8 -2,-0.5 2,-0.5 -0.892 10.2-171.4-116.9 133.4 38.1 31.8 51.4 54 68 A Y E -a 10 0A 31 -45,-2.4 -43,-2.4 -2,-0.4 2,-0.5 -0.968 13.5-151.2-126.6 110.1 37.9 35.5 50.4 55 69 A A E a 11 0A 46 -2,-0.5 -43,-0.1 59,-0.4 -45,-0.1 -0.695 360.0 360.0 -80.3 120.0 38.8 38.1 53.1 56 70 A F 0 0 110 -2,-0.5 -43,-0.3 -45,-0.5 -2,-0.0 -0.811 360.0 360.0-103.4 360.0 36.8 41.1 52.2 57 ! 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 58 86 A M > 0 0 120 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -61.3 45.9 41.9 55.9 59 87 A E H > + 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.927 360.0 43.9 -49.2 -38.9 49.0 41.8 53.8 60 88 A L H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.784 108.9 58.5 -73.2 -31.8 50.6 41.4 57.3 61 89 A F H 4 S+ 0 0 63 2,-0.2 3,-0.3 1,-0.1 4,-0.2 0.982 108.7 43.2 -55.5 -57.8 47.8 38.9 58.1 62 90 A V H >< S+ 0 0 46 -4,-3.4 3,-2.1 1,-0.2 -2,-0.2 0.940 109.1 57.4 -61.2 -48.2 48.8 36.6 55.2 63 91 A W H >< S+ 0 0 41 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.886 98.7 60.9 -42.8 -47.4 52.5 36.9 55.9 64 92 A A T >< S+ 0 0 74 -4,-1.6 3,-0.7 -3,-0.3 4,-0.4 0.478 74.2 105.4 -65.0 -7.4 52.0 35.6 59.5 65 93 A L T X> + 0 0 31 -3,-2.1 3,-2.2 -4,-0.2 4,-1.3 0.727 47.0 96.1 -35.6 -41.3 50.6 32.3 58.0 66 94 A D H <> S+ 0 0 33 -3,-0.9 4,-1.4 1,-0.3 -1,-0.2 0.706 84.3 45.4 -31.9 -56.9 53.8 30.3 58.8 67 95 A S H <> S+ 0 0 87 -3,-0.7 4,-1.3 1,-0.2 -1,-0.3 0.871 115.3 54.5 -51.3 -38.5 52.6 28.7 62.1 68 96 A E H <> S+ 0 0 59 -3,-2.2 4,-2.6 -4,-0.4 -2,-0.2 0.890 98.5 57.1 -66.1 -46.2 49.4 28.1 60.2 69 97 A V H X S+ 0 0 7 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.880 107.0 50.6 -58.1 -37.4 50.8 26.2 57.3 70 98 A K H X S+ 0 0 134 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.906 110.2 49.3 -66.4 -38.2 52.4 23.6 59.6 71 99 A S H X S+ 0 0 34 -4,-1.3 4,-0.7 1,-0.2 -2,-0.2 0.904 109.9 51.6 -66.0 -42.6 49.1 23.1 61.4 72 100 A L H ><>S+ 0 0 22 -4,-2.6 5,-2.1 2,-0.2 3,-1.1 0.927 110.5 49.6 -53.1 -48.7 47.3 22.7 58.0 73 101 A H H ><5S+ 0 0 68 -4,-2.0 3,-1.8 1,-0.3 -2,-0.2 0.915 105.7 54.8 -66.8 -42.2 49.9 20.0 57.1 74 102 A R H 3<5S+ 0 0 172 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.666 108.5 50.3 -61.4 -15.7 49.4 18.2 60.3 75 103 A H T <<5S- 0 0 124 -3,-1.1 34,-0.3 -4,-0.7 -1,-0.3 0.207 116.8-113.9-107.7 12.2 45.6 18.1 59.4 76 104 A N T < 5 + 0 0 62 -3,-1.8 32,-1.9 1,-0.2 2,-0.4 0.833 63.4 152.9 64.1 34.4 46.3 16.7 55.9 77 105 A V < - 0 0 2 -5,-2.1 2,-0.6 31,-0.2 -1,-0.2 -0.844 41.8-137.5 -93.4 140.4 45.0 19.8 54.2 78 106 A R E -d 110 0A 62 31,-2.9 33,-2.8 -2,-0.4 2,-0.4 -0.838 22.1-151.0 -95.1 119.5 46.2 20.8 50.8 79 107 A L E +d 111 0A 8 -2,-0.6 2,-0.3 20,-0.3 33,-0.2 -0.779 20.9 168.0 -96.8 135.6 46.9 24.6 50.6 80 108 A R E -d 112 0A 54 31,-2.1 33,-2.7 -2,-0.4 2,-0.5 -0.992 22.3-146.3-137.5 145.7 46.7 26.8 47.4 81 109 A I E -d 113 0A 33 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.926 14.6-163.9-110.3 131.1 46.6 30.6 47.0 82 110 A I E +d 114 0A 13 31,-1.8 33,-2.4 -2,-0.5 2,-0.2 -0.939 45.4 58.9-113.2 142.4 44.6 32.0 44.1 83 111 A G S S- 0 0 11 -2,-0.4 2,-1.2 31,-0.2 34,-0.3 -0.730 96.3 -45.8 132.2-179.4 45.0 35.6 42.9 84 112 A D + 0 0 48 32,-2.5 3,-0.4 -2,-0.2 -2,-0.1 -0.675 57.0 156.6 -92.4 95.0 47.7 37.8 41.4 85 113 A T > + 0 0 36 -2,-1.2 3,-1.1 1,-0.2 -1,-0.2 0.297 47.6 97.2 -95.4 3.2 50.8 37.1 43.5 86 114 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.1 0.701 80.0 50.5 -77.8 -20.9 53.2 38.2 40.8 87 115 A R T 3 S+ 0 0 91 -3,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.279 90.7 106.7 -93.2 8.6 53.7 41.8 42.0 88 116 A F S < S- 0 0 31 -3,-1.1 -3,-0.0 1,-0.1 5,-0.0 -0.618 87.4 -86.2 -75.1 150.8 54.4 40.5 45.5 89 117 A N >> - 0 0 92 -2,-0.2 4,-2.5 1,-0.1 3,-0.7 -0.177 35.9-113.6 -54.4 143.2 58.0 40.5 46.7 90 118 A S H 3> S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 116.5 58.4 -47.3 -43.3 60.2 37.6 45.7 91 119 A R H 3> S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 108.4 40.3 -56.3 -48.4 60.4 36.7 49.4 92 120 A L H <> S+ 0 0 22 -3,-0.7 4,-2.4 2,-0.2 3,-0.3 0.946 113.8 56.2 -61.5 -51.4 56.6 36.3 49.9 93 121 A Q H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.850 106.9 50.5 -49.8 -38.3 56.4 34.6 46.5 94 122 A E H X S+ 0 0 97 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.883 108.5 49.1 -74.0 -37.3 58.9 32.1 47.7 95 123 A R H X S+ 0 0 109 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.850 109.3 54.6 -71.5 -32.7 57.2 31.2 51.0 96 124 A I H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.980 109.1 47.1 -56.0 -57.6 53.9 30.8 49.0 97 125 A R H X S+ 0 0 141 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.872 113.5 49.1 -52.3 -44.3 55.6 28.2 46.7 98 126 A K H X S+ 0 0 114 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.871 109.0 50.8 -62.9 -44.1 57.1 26.4 49.6 99 127 A S H X S+ 0 0 14 -4,-2.0 4,-1.2 2,-0.2 -20,-0.3 0.919 113.7 45.6 -65.5 -41.9 53.8 26.2 51.5 100 128 A E H >X S+ 0 0 51 -4,-2.5 4,-1.7 2,-0.2 3,-0.7 0.968 113.0 49.7 -61.0 -52.3 52.1 24.8 48.4 101 129 A A H >< S+ 0 0 73 -4,-2.9 3,-0.6 1,-0.3 4,-0.5 0.923 108.4 54.3 -55.7 -47.1 54.8 22.3 47.7 102 130 A L H 3< S+ 0 0 90 -4,-2.8 -1,-0.3 1,-0.2 3,-0.2 0.840 120.8 29.0 -54.1 -38.9 54.8 21.1 51.4 103 131 A T H X< S+ 0 0 0 -4,-1.2 3,-2.4 -3,-0.7 -1,-0.2 0.490 88.3 101.1-105.5 -4.9 51.1 20.3 51.4 104 132 A A T << S+ 0 0 45 -4,-1.7 -1,-0.1 -3,-0.6 -2,-0.1 0.803 81.8 54.8 -59.7 -25.2 50.5 19.4 47.7 105 133 A G T 3 S+ 0 0 65 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.604 83.0 119.7 -80.3 -7.3 50.5 15.7 48.5 106 134 A N < - 0 0 25 -3,-2.4 -28,-0.1 -29,-0.2 -29,-0.1 -0.191 49.1-159.2 -65.2 146.6 47.8 16.0 51.2 107 135 A T + 0 0 120 -30,-0.1 -30,-0.1 3,-0.0 3,-0.1 0.457 62.5 69.7-109.7 3.5 44.7 14.1 50.7 108 136 A G S S- 0 0 36 -32,-1.9 -31,-0.2 1,-0.3 -32,-0.1 0.240 97.4 -5.5 -92.3-137.0 42.0 15.7 52.9 109 137 A L - 0 0 6 -34,-0.3 -31,-2.9 1,-0.1 2,-0.6 -0.245 58.7-139.3 -54.7 134.1 40.5 19.1 52.4 110 138 A T E -cd 50 78A 9 -61,-2.7 -59,-2.4 -33,-0.2 2,-0.6 -0.907 21.6-163.2 -89.0 122.8 41.7 21.3 49.7 111 139 A L E -cd 51 79A 4 -33,-2.8 -31,-2.1 -2,-0.6 2,-0.5 -0.916 3.9-166.8-112.6 113.4 41.8 25.0 51.1 112 140 A N E -cd 52 80A 2 -61,-2.8 -59,-3.0 -2,-0.6 2,-0.5 -0.876 3.4-162.8-100.0 127.6 42.1 27.9 48.6 113 141 A I E -cd 53 81A 48 -33,-2.7 -31,-1.8 -2,-0.5 2,-0.3 -0.957 14.4-136.4-114.9 120.9 43.0 31.3 50.0 114 142 A A E + d 0 82A 17 -61,-2.8 -59,-0.4 -2,-0.5 2,-0.4 -0.619 26.8 174.3 -76.7 131.0 42.3 34.4 47.8 115 143 A A S S- 0 0 14 -33,-2.4 -2,-0.0 -2,-0.3 -61,-0.0 -0.955 76.6 -13.8-140.1 117.3 45.2 36.9 47.9 116 144 A N S S+ 0 0 102 -2,-0.4 -32,-2.5 1,-0.2 2,-0.3 0.925 100.9 158.6 47.8 52.3 44.9 39.9 45.6 117 145 A Y + 0 0 18 -34,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.776 21.1 170.0-104.2 141.1 42.1 38.1 43.8 118 146 A G > - 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0 0 56 -2,-0.5 4,-2.2 -159,-0.0 5,-0.2 -0.428 49.4 -76.0-119.2-170.1 30.3 29.0 63.8 198 226 A E H > S+ 0 0 84 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 127.7 51.8 -60.8 -37.4 29.8 25.3 63.1 199 227 A Q H > S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 109.2 49.0 -72.0 -35.0 26.0 25.5 63.4 200 228 A D H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.898 113.4 48.2 -61.4 -39.0 25.8 28.5 61.0 201 229 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 111.6 49.3 -68.6 -41.5 28.0 26.4 58.6 202 230 A E H X S+ 0 0 81 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.912 108.6 55.5 -60.0 -40.6 25.7 23.4 59.1 203 231 A G H X S+ 0 0 30 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.892 108.1 46.1 -59.9 -42.2 22.8 25.7 58.5 204 232 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 114.1 48.7 -68.6 -41.1 24.2 26.8 55.1 205 233 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.930 111.4 48.3 -62.8 -45.6 24.9 23.2 54.1 206 234 A N H X S+ 0 0 87 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.871 111.0 53.0 -67.5 -32.1 21.5 21.9 55.1 207 235 A A H X S+ 0 0 23 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.881 109.0 47.3 -65.1 -41.0 20.0 24.8 53.1 208 236 A F H >< S+ 0 0 31 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.923 111.9 52.2 -63.9 -45.7 22.0 23.9 50.0 209 237 A A H 3< S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.904 112.0 46.5 -57.9 -38.5 20.8 20.2 50.6 210 238 A N H 3< 0 0 138 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.629 360.0 360.0 -77.9 -14.5 17.2 21.3 50.8 211 239 A R << 0 0 107 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.668 360.0 360.0-112.8 360.0 17.3 23.6 47.8 212 !* 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 0.0 213 17 B G 0 0 106 0, 0.0 2,-0.6 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 160.1 19.4 55.9 42.9 214 18 B C + 0 0 22 1,-0.2 45,-0.2 199,-0.0 3,-0.1 -0.708 360.0 174.4 -86.4 121.0 19.2 52.8 40.9 215 19 B R + 0 0 114 -2,-0.6 45,-1.9 1,-0.3 44,-1.0 0.790 67.4 29.1 -97.7 -28.9 20.1 53.3 37.2 216 20 B H E -f 260 0B 1 152,-0.3 154,-2.1 43,-0.2 155,-1.4 -0.977 64.7-174.3-139.3 113.9 20.1 49.7 35.7 217 21 B V E -fg 261 371B 0 43,-2.3 45,-2.5 -2,-0.4 2,-0.4 -0.921 4.7-165.1-107.2 135.1 17.9 46.9 37.0 218 22 B A E -fg 262 372B 0 153,-3.0 155,-2.8 -2,-0.4 2,-0.4 -0.972 7.3-162.4-119.3 141.4 18.2 43.3 35.7 219 23 B I E -fg 263 373B 0 43,-2.8 45,-2.6 -2,-0.4 2,-0.7 -0.987 17.9-155.6-126.9 129.0 15.4 40.7 36.5 220 24 B I E -fg 264 374B 2 153,-3.1 155,-1.8 -2,-0.4 2,-1.4 -0.916 24.5-152.0 -96.7 113.0 15.5 36.9 36.2 221 25 B M E +f 265 0B 22 43,-2.7 45,-0.9 -2,-0.7 2,-0.3 -0.651 30.1 160.7 -95.3 84.9 11.8 36.4 35.7 222 26 B D + 0 0 28 -2,-1.4 179,-1.6 1,-0.2 155,-0.1 -0.817 36.8 55.7-113.0 151.7 11.2 32.9 37.2 223 27 B G > + 0 0 6 -2,-0.3 4,-2.1 43,-0.3 -1,-0.2 0.437 55.2 121.5 122.4 2.2 8.0 31.2 38.4 224 28 B N H > S+ 0 0 31 -3,-0.3 4,-1.9 2,-0.2 5,-0.1 0.898 82.3 45.4 -60.8 -45.2 5.5 31.2 35.5 225 29 B G H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.938 114.3 47.1 -61.7 -51.8 5.2 27.3 35.4 226 30 B R H > S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 111.4 53.3 -61.5 -33.0 4.9 27.0 39.1 227 31 B W H X S+ 0 0 23 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.917 108.0 49.1 -67.7 -43.5 2.3 29.8 39.1 228 32 B A H <>S+ 0 0 1 -4,-1.9 5,-2.8 2,-0.2 -2,-0.2 0.931 112.2 48.3 -62.1 -49.0 0.1 28.1 36.5 229 33 B K H ><5S+ 0 0 171 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.898 109.5 52.0 -60.4 -45.1 0.2 24.8 38.3 230 34 B K H 3<5S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.1 50.3 -53.7 -38.0 -0.7 26.5 41.7 231 35 B Q T 3<5S- 0 0 98 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.341 118.0-118.4 -78.5 3.0 -3.6 28.1 39.8 232 36 B G T < 5S+ 0 0 66 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.814 74.3 121.2 60.1 35.7 -4.6 24.6 38.5 233 37 B K < - 0 0 112 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.767 67.9 -87.5-124.6 165.1 -4.0 25.7 34.8 234 38 B I >> - 0 0 128 -2,-0.2 3,-1.9 -3,-0.1 4,-0.9 -0.349 45.0-102.8 -68.0 155.8 -1.8 24.6 31.8 235 39 B R H >> S+ 0 0 184 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.848 118.5 64.4 -48.5 -42.0 1.8 26.1 31.3 236 40 B A H 3> S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.773 96.4 56.3 -50.3 -34.4 0.4 28.5 28.6 237 41 B F H <> S+ 0 0 95 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.879 104.8 51.4 -70.4 -37.3 -1.8 30.3 31.1 238 42 B G H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 3,-0.8 0.929 112.4 51.2 -60.1 -44.7 10.7 51.3 35.4 254 58 B A H ><5S+ 0 0 40 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.938 112.7 46.3 -64.2 -38.6 10.0 53.8 32.6 255 59 B N H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.536 110.1 54.2 -75.4 -10.4 7.8 56.0 34.9 256 60 B N T <<5S- 0 0 95 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.178 114.3-110.4-111.7 11.2 10.3 55.9 37.8 257 61 B G T < 5 + 0 0 62 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.694 57.3 159.8 72.9 22.5 13.3 57.1 35.8 258 62 B I < - 0 0 10 -5,-1.8 -1,-0.2 -6,-0.2 -43,-0.2 -0.601 32.9-148.2 -70.7 137.5 15.3 53.9 35.7 259 63 B E S S+ 0 0 87 -44,-1.0 59,-2.6 -2,-0.3 2,-0.3 0.862 73.2 13.4 -77.4 -37.2 17.8 54.2 32.8 260 64 B A E -fh 216 318B 2 -45,-1.9 -43,-2.3 57,-0.2 2,-0.4 -0.999 55.1-169.7-145.0 140.3 18.0 50.5 31.7 261 65 B L E -fh 217 319B 0 57,-2.3 59,-2.6 -2,-0.3 2,-0.5 -0.997 8.4-165.7-129.3 125.6 16.0 47.4 32.5 262 66 B T E -fh 218 320B 0 -45,-2.5 -43,-2.8 -2,-0.4 2,-0.4 -0.962 8.5-163.3-118.5 124.2 17.4 43.9 31.4 263 67 B L E -fh 219 321B 1 57,-2.5 59,-2.7 -2,-0.5 2,-0.5 -0.914 7.5-171.1-119.0 126.7 14.9 40.9 31.5 264 68 B Y E -f 220 0B 34 -45,-2.6 -43,-2.7 -2,-0.4 2,-0.5 -0.979 14.8-147.6-120.6 118.6 15.9 37.2 31.4 265 69 B A E f 221 0B 76 -2,-0.5 -43,-0.1 57,-0.4 -45,-0.1 -0.725 360.0 360.0 -82.3 116.4 13.1 34.6 31.0 266 70 B F 0 0 126 -45,-0.9 -43,-0.3 -2,-0.5 -1,-0.0 -0.778 360.0 360.0 -93.7 360.0 14.3 31.6 32.9 267 ! 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 0.0 268 88 B L > 0 0 95 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-143.5 10.6 31.4 20.2 269 89 B F T >> + 0 0 83 1,-0.2 3,-1.2 2,-0.2 4,-0.8 0.734 360.0 70.9 -77.9 -27.7 9.0 33.6 22.8 270 90 B V H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.814 79.4 78.4 -47.3 -35.6 10.2 36.8 21.1 271 91 B W H <4 S+ 0 0 88 -3,-0.6 -1,-0.2 1,-0.2 4,-0.2 0.947 93.3 51.6 -44.9 -38.1 7.7 36.0 18.5 272 92 B A H X4 S+ 0 0 71 -3,-1.2 3,-2.0 -4,-0.3 -2,-0.2 0.986 105.0 52.5 -59.5 -68.0 5.3 37.5 21.0 273 93 B L H >< S+ 0 0 32 -4,-0.8 3,-4.4 1,-0.3 4,-0.4 0.741 87.0 77.4 -35.3 -45.2 7.0 40.8 21.7 274 94 B D T 3< S+ 0 0 29 -4,-1.6 -1,-0.3 1,-0.3 4,-0.2 0.551 89.8 60.4 -69.9 1.5 7.4 41.9 18.1 275 95 B S T < S+ 0 0 97 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.445 103.0 53.1 -89.7 -4.2 3.6 42.9 18.2 276 96 B E S <> S+ 0 0 60 -3,-4.4 4,-1.9 -4,-0.2 -2,-0.2 0.287 78.7 96.6-101.2 0.6 4.4 45.4 21.2 277 97 B V H > S+ 0 0 7 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.911 78.1 56.7 -67.4 -34.4 7.2 47.3 19.4 278 98 B K H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.933 108.5 47.5 -59.5 -45.1 4.9 50.2 18.3 279 99 B S H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.895 111.1 50.1 -61.3 -48.8 3.9 50.9 21.8 280 100 B L H <>S+ 0 0 19 -4,-1.9 5,-2.4 2,-0.2 -1,-0.2 0.916 111.0 51.0 -51.9 -48.3 7.5 50.8 23.1 281 101 B H H ><5S+ 0 0 69 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.950 107.2 51.4 -63.4 -45.2 8.5 53.2 20.4 282 102 B R H 3<5S+ 0 0 190 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.5 56.2 -57.9 -31.8 5.7 55.7 21.2 283 103 B H T 3<5S- 0 0 132 -4,-1.5 34,-0.3 -5,-0.2 -1,-0.3 0.313 117.7-112.6 -85.6 12.6 6.9 55.5 24.8 284 104 B N T < 5 + 0 0 63 -3,-2.1 32,-2.1 1,-0.2 2,-0.3 0.732 64.4 153.3 64.1 26.0 10.4 56.6 23.9 285 105 B V < - 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