==== 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 MEMBRANE PROTEIN 19-DEC-07 2VKJ . COMPND 2 MOLECULE: TM1634; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR C.J.MCCLEVERTY,L.COLUMBUS,A.KREUSCH,S.A.LESLEY,JOINT CENTER . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 84.4 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 . 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 . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 0 0 0 0 0 0 2 0 0 2 0 0 0 1 2 0 2 1 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 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 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 24 A G 0 0 91 0, 0.0 108,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-176.4 16.4 20.0 -36.1 2 25 A S - 0 0 37 108,-0.1 2,-0.5 1,-0.1 3,-0.1 -0.315 360.0-133.6 -80.7 166.6 18.5 18.6 -33.2 3 26 A H >> + 0 0 114 1,-0.1 3,-1.6 106,-0.1 4,-0.6 -0.752 27.7 169.7-123.2 80.4 18.8 20.1 -29.8 4 27 A M H >> S+ 0 0 93 -2,-0.5 4,-2.0 1,-0.3 3,-0.8 0.781 71.4 75.0 -66.6 -22.1 22.5 20.0 -28.9 5 28 A N H 3> S+ 0 0 97 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.809 91.4 58.1 -59.6 -26.9 21.8 22.2 -25.8 6 29 A L H <> S+ 0 0 56 -3,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.816 103.8 50.6 -71.2 -30.5 20.3 19.0 -24.3 7 30 A A H > - 0 0 58 -2,-0.2 4,-1.6 1,-0.1 3,-0.8 -0.455 42.4-116.0 -76.1 152.6 35.3 14.3 2.2 28 51 A Y H 3> S+ 0 0 12 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.847 113.9 60.9 -55.3 -38.9 34.2 17.9 1.9 29 52 A E H 3> S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.902 103.9 48.8 -59.0 -40.7 37.6 18.9 0.5 30 53 A N H <> S+ 0 0 70 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.906 112.2 48.9 -65.7 -40.5 37.2 16.6 -2.5 31 54 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 -9,-0.3 -2,-0.2 0.951 112.8 47.6 -61.9 -50.9 33.8 17.9 -3.2 32 55 A E H X S+ 0 0 69 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.920 111.2 51.0 -53.2 -49.8 35.1 21.5 -3.0 33 56 A N H X S+ 0 0 104 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.867 111.8 46.5 -61.1 -40.5 38.0 20.8 -5.2 34 57 A Y H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.878 110.3 52.0 -69.1 -44.1 35.8 19.1 -7.9 35 58 A V H X>S+ 0 0 12 -4,-2.4 5,-1.9 2,-0.2 4,-0.8 0.916 113.2 46.2 -57.6 -44.4 33.2 21.9 -7.9 36 59 A K H ><5S+ 0 0 178 -4,-2.4 3,-0.9 2,-0.2 -2,-0.2 0.961 112.4 49.0 -64.6 -52.9 36.0 24.5 -8.3 37 60 A K H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 119.6 37.8 -52.6 -41.4 37.8 22.5 -11.1 38 61 A E H 3<5S- 0 0 63 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.485 103.6-130.3 -93.6 -4.2 34.5 22.0 -13.1 39 62 A G T <<5 + 0 0 48 -3,-0.9 -3,-0.2 -4,-0.8 2,-0.2 0.872 43.2 174.1 56.3 41.2 33.2 25.5 -12.2 40 63 A L < - 0 0 25 -5,-1.9 2,-0.7 -6,-0.2 -1,-0.2 -0.509 31.4-141.6 -80.1 148.9 29.9 24.0 -11.1 41 64 A K - 0 0 200 -2,-0.2 2,-0.4 4,-0.0 -1,-0.1 -0.777 22.8-166.1-111.2 84.6 27.2 26.3 -9.6 42 65 A I > - 0 0 13 -2,-0.7 3,-1.8 1,-0.1 2,-0.3 -0.587 22.7-121.0 -78.7 124.7 25.7 24.1 -6.8 43 66 A E T 3 S+ 0 0 155 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.484 100.0 13.8 -64.0 124.2 22.4 25.3 -5.4 44 67 A G T >> S+ 0 0 15 -2,-0.3 3,-2.5 3,-0.0 4,-0.7 0.606 80.7 149.4 83.8 16.6 22.9 25.9 -1.6 45 68 A M H X> + 0 0 47 -3,-1.8 3,-1.5 1,-0.3 4,-0.5 0.867 67.8 56.8 -47.8 -47.4 26.7 25.7 -1.9 46 69 A E H 34 S+ 0 0 155 1,-0.3 -1,-0.3 -4,-0.2 4,-0.3 0.612 106.5 52.3 -63.6 -13.3 27.2 28.1 1.0 47 70 A L H <> S+ 0 0 91 -3,-2.5 4,-1.7 1,-0.1 -1,-0.3 0.655 90.9 77.8 -91.1 -18.9 25.1 25.7 3.2 48 71 A L H S+ 0 0 54 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.883 113.6 55.4 -67.9 -35.7 28.3 23.1 8.0 51 74 A K H X S+ 0 0 64 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.904 108.1 49.6 -59.6 -40.8 25.7 20.6 6.9 52 75 A K H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 108.6 52.2 -63.6 -44.6 28.5 18.1 6.3 53 76 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.926 111.5 47.9 -58.8 -41.3 30.0 18.8 9.7 54 77 A R H X S+ 0 0 152 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.894 110.1 49.6 -67.6 -40.2 26.6 18.1 11.2 55 78 A S H X S+ 0 0 39 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.902 109.3 53.8 -68.3 -33.5 26.1 14.8 9.3 56 79 A L H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.897 107.9 50.1 -65.6 -38.2 29.6 13.7 10.4 57 80 A I H X S+ 0 0 20 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.925 112.9 46.4 -62.1 -45.9 28.6 14.3 14.0 58 81 A A H X S+ 0 0 46 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.946 115.7 44.2 -64.6 -48.6 25.4 12.3 13.6 59 82 A E H X S+ 0 0 33 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.900 114.4 50.3 -63.5 -40.2 27.1 9.4 11.8 60 83 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.915 109.3 51.8 -62.4 -42.7 30.0 9.5 14.3 61 84 A K H X S+ 0 0 51 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 108.1 50.7 -63.8 -40.0 27.5 9.4 17.2 62 85 A D H X S+ 0 0 11 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.855 111.0 48.8 -71.0 -28.6 25.7 6.4 15.7 63 86 A L H ><>S+ 0 0 9 -4,-1.8 5,-2.9 2,-0.2 3,-0.6 0.893 110.0 52.5 -68.3 -42.2 29.0 4.6 15.4 64 87 A F H ><5S+ 0 0 29 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.929 108.3 50.2 -57.6 -45.5 29.8 5.5 19.0 65 88 A E H 3<5S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.681 108.5 52.4 -69.8 -17.6 26.4 4.1 20.1 66 89 A T T <<5S- 0 0 7 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.101 121.8-109.2-103.4 21.2 27.2 0.9 18.2 67 90 A A T < 5S+ 0 0 53 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.765 76.6 134.4 61.0 33.2 30.5 0.7 20.0 68 91 A N >< + 0 0 41 -5,-2.9 4,-2.6 1,-0.2 -1,-0.2 -0.698 18.4 158.8-104.6 80.5 32.7 1.4 17.1 69 92 A Y H > + 0 0 56 -2,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.824 69.3 52.4 -77.2 -33.7 34.9 3.9 18.9 70 93 A G H > S+ 0 0 37 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.942 115.0 43.3 -64.5 -46.6 37.9 3.7 16.5 71 94 A E H >> S+ 0 0 96 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.897 112.5 52.3 -64.6 -43.3 35.6 4.3 13.6 72 95 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.858 97.1 67.6 -62.5 -35.3 33.7 7.1 15.4 73 96 A L H 3X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.890 98.0 53.3 -51.5 -42.7 36.9 8.9 16.2 74 97 A V H - 0 0 70 1,-0.1 4,-2.4 -35,-0.0 5,-0.2 -0.885 63.6-152.3-107.9 123.5 30.7 26.6 14.8 86 109 A E H > S+ 0 0 130 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.818 97.0 53.1 -64.4 -32.2 32.0 26.5 18.3 87 110 A E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 109.7 48.1 -68.1 -45.7 29.0 24.6 19.6 88 111 A I H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.920 109.5 53.5 -59.0 -42.2 29.5 21.9 17.0 89 112 A K H X S+ 0 0 44 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.864 105.3 54.8 -63.3 -35.4 33.1 21.8 17.9 90 113 A K H X S+ 0 0 127 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.884 109.1 47.6 -61.3 -42.8 32.2 21.2 21.6 91 114 A I H X S+ 0 0 67 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.958 114.2 46.5 -61.6 -49.8 30.0 18.2 20.6 92 115 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.917 113.1 49.3 -61.0 -43.8 32.9 16.8 18.4 93 116 A S H X S+ 0 0 55 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.879 109.2 52.7 -61.7 -40.4 35.4 17.4 21.2 94 117 A F H X S+ 0 0 117 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.951 114.5 40.3 -62.8 -48.3 33.3 15.7 23.8 95 118 A Y H X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.869 111.1 57.9 -72.7 -33.2 32.8 12.6 21.7 96 119 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.948 107.3 48.3 -59.4 -49.0 36.4 12.6 20.5 97 120 A E H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.889 110.7 51.3 -57.6 -41.0 37.5 12.4 24.2 98 121 A E H X S+ 0 0 39 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.884 109.7 49.7 -65.4 -36.4 35.1 9.6 24.9 99 122 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 109.4 51.5 -68.2 -38.8 36.4 7.6 21.9 100 123 A R H X S+ 0 0 106 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.886 106.8 53.9 -67.5 -36.5 39.9 8.1 23.1 101 124 A K H X>S+ 0 0 79 -4,-2.2 5,-4.1 1,-0.2 4,-0.5 0.923 109.3 48.9 -61.8 -42.3 38.9 6.9 26.6 102 125 A K H ><5S+ 0 0 69 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.881 108.7 52.2 -62.8 -38.3 37.6 3.7 24.9 103 126 A L H 3<5S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.6 49.1 -66.3 -30.2 40.8 3.2 22.8 104 127 A A H 3<5S- 0 0 78 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.514 122.8-106.3 -83.9 -9.2 42.8 3.5 26.1 105 128 A G T <<5 0 0 64 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.779 360.0 360.0 81.1 33.8 40.5 0.9 27.8 106 129 A D < 0 0 111 -5,-4.1 -4,-0.0 -6,-0.2 -8,-0.0 -0.292 360.0 360.0 48.2 360.0 39.0 3.9 29.7 107 !* 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 0.0 108 24 B G 0 0 126 0, 0.0 3,-0.1 0, 0.0 -106,-0.0 0.000 360.0 360.0 360.0 -79.8 21.4 12.6 -37.5 109 25 B S + 0 0 58 -108,-0.1 -106,-0.1 -106,-0.0 2,-0.0 -0.842 360.0 110.7-123.4 25.8 21.8 14.8 -35.7 110 26 B H - 0 0 110 1,-0.1 -108,-0.1 -108,-0.1 -106,-0.0 -0.300 41.4-167.2 -59.7 134.6 19.1 14.0 -33.2 111 27 B M - 0 0 88 -3,-0.1 -1,-0.1 -108,-0.0 -109,-0.0 0.664 15.9-151.8 -98.4 -21.7 20.5 13.0 -29.8 112 28 B N + 0 0 140 1,-0.1 4,-0.3 2,-0.0 3,-0.3 0.878 40.4 148.7 53.8 45.7 17.2 11.7 -28.4 113 29 B L > + 0 0 26 1,-0.2 4,-3.0 2,-0.1 5,-0.2 0.467 31.8 101.4 -90.5 -3.6 18.3 12.5 -24.8 114 30 B A H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 83.9 45.8 -54.9 -48.7 15.0 13.3 -23.2 115 31 B V H > S+ 0 0 124 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.943 115.4 48.5 -59.5 -46.5 14.5 10.0 -21.4 116 32 B K H > S+ 0 0 89 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.918 112.9 47.4 -57.3 -47.0 18.1 10.0 -20.2 117 33 B L H X S+ 0 0 7 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.871 108.5 52.7 -70.3 -36.5 17.8 13.6 -18.9 118 34 B T H X S+ 0 0 65 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.906 110.7 48.5 -68.6 -34.6 14.6 13.1 -17.1 119 35 B R H X S+ 0 0 124 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.946 112.6 49.1 -60.6 -46.6 16.1 10.1 -15.3 120 36 B M H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.857 106.6 55.8 -63.8 -35.7 19.1 12.2 -14.4 121 37 B E H X S+ 0 0 86 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 108.5 48.3 -61.9 -41.6 16.9 15.1 -13.2 122 38 B K H X S+ 0 0 71 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.830 108.9 52.5 -68.3 -34.3 15.3 12.7 -10.8 123 39 B T H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 109.8 48.6 -73.0 -34.3 18.6 11.4 -9.5 124 40 B L H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.948 111.3 50.8 -61.4 -45.1 19.8 14.9 -8.9 125 41 B K H X S+ 0 0 105 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.899 108.7 52.1 -59.8 -41.9 16.5 15.6 -7.0 126 42 B A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.935 110.0 47.7 -58.5 -46.8 17.1 12.4 -5.0 127 43 B Y H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.901 110.8 52.4 -63.3 -38.8 20.6 13.5 -4.0 128 44 B E H X S+ 0 0 58 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.902 108.1 50.5 -64.5 -39.0 19.2 17.0 -3.1 129 45 B L H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 9,-0.3 0.905 109.7 51.4 -63.4 -40.0 16.5 15.4 -0.8 130 46 B Y H < S+ 0 0 50 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.915 117.7 38.0 -61.9 -39.8 19.2 13.3 0.9 131 47 B I H < S+ 0 0 15 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.904 131.0 25.8 -79.0 -42.7 21.3 16.5 1.5 132 48 B F H < S+ 0 0 81 -4,-3.1 2,-0.2 -5,-0.2 -3,-0.2 0.501 119.4 43.4-105.3 -6.9 18.6 19.0 2.3 133 49 B S S < S- 0 0 43 -4,-2.2 2,-0.1 -5,-0.3 -4,-0.0 -0.651 91.0 -69.9-129.8-176.8 15.7 16.8 3.7 134 50 B D > - 0 0 98 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.413 42.9-114.2 -77.1 154.5 14.9 13.9 6.0 135 51 B Y H > S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.901 117.6 57.4 -54.1 -42.9 16.0 10.3 5.1 136 52 B E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 104.9 49.8 -58.0 -40.9 12.3 9.4 4.9 137 53 B N H > S+ 0 0 75 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.895 113.1 48.5 -63.7 -40.5 11.7 12.1 2.2 138 54 B F H X S+ 0 0 0 -4,-2.0 4,-2.7 -9,-0.3 -2,-0.2 0.965 114.2 42.3 -64.8 -52.5 14.7 10.8 0.3 139 55 B E H X S+ 0 0 53 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.852 111.1 57.0 -67.4 -31.4 13.8 7.1 0.4 140 56 B N H X S+ 0 0 98 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.913 112.0 42.7 -62.9 -43.0 10.1 7.8 -0.4 141 57 B Y H X S+ 0 0 30 -4,-1.7 4,-2.5 2,-0.2 6,-0.3 0.928 113.9 49.5 -69.6 -50.3 11.1 9.6 -3.6 142 58 B V H X>S+ 0 0 11 -4,-2.7 5,-1.7 1,-0.2 4,-0.6 0.915 113.6 47.8 -53.4 -44.1 13.7 7.0 -4.6 143 59 B K H <5S+ 0 0 170 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.926 114.4 44.7 -66.7 -43.5 11.2 4.2 -4.1 144 60 B K H <5S+ 0 0 153 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.0 43.5 -76.5 -28.1 8.4 6.0 -6.0 145 61 B E H <5S- 0 0 60 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.454 106.0-130.1 -92.2 -2.2 10.6 7.0 -8.9 146 62 B G T <5 + 0 0 64 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.766 45.3 172.2 64.2 28.2 12.2 3.6 -8.9 147 63 B L < - 0 0 25 -5,-1.7 2,-0.7 -6,-0.3 -1,-0.2 -0.394 33.2-142.6 -74.6 145.6 15.7 5.1 -8.9 148 64 B K - 0 0 148 -2,-0.1 2,-0.5 4,-0.0 -1,-0.1 -0.935 21.8-165.1-104.8 107.8 18.8 3.1 -8.5 149 65 B I > - 0 0 2 -2,-0.7 3,-1.8 -23,-0.0 4,-0.2 -0.848 20.4-124.3 -97.9 123.9 21.1 5.3 -6.4 150 66 B E T 3 S+ 0 0 144 -2,-0.5 -2,-0.0 1,-0.3 -1,-0.0 -0.491 99.7 20.5 -66.7 131.8 24.8 4.3 -6.3 151 67 B G T >> S+ 0 0 23 -2,-0.2 4,-1.7 3,-0.0 3,-1.1 0.490 80.8 136.8 85.3 5.1 25.9 3.9 -2.7 152 68 B M H <> + 0 0 17 -3,-1.8 4,-2.6 1,-0.3 5,-0.2 0.857 67.4 59.2 -49.7 -39.7 22.3 3.4 -1.6 153 69 B E H 3> S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.865 103.6 50.8 -60.6 -37.6 23.4 0.5 0.7 154 70 B L H <> S+ 0 0 85 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.899 110.8 49.0 -67.3 -38.8 25.7 2.8 2.6 155 71 B L H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.916 111.6 48.2 -66.4 -41.5 22.9 5.3 3.1 156 72 B K H X S+ 0 0 56 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.864 109.8 54.0 -65.8 -37.8 20.6 2.6 4.3 157 73 B E H X S+ 0 0 38 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.940 108.8 48.3 -61.4 -44.8 23.3 1.3 6.6 158 74 B K H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 114.1 45.7 -63.3 -41.6 23.7 4.8 8.2 159 75 B K H X S+ 0 0 42 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.940 111.7 51.8 -70.5 -40.8 20.0 5.2 8.7 160 76 B A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.877 108.6 51.7 -59.6 -37.3 19.7 1.7 10.1 161 77 B R H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.895 107.6 52.3 -67.4 -37.3 22.5 2.6 12.6 162 78 B S H X S+ 0 0 28 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.890 109.1 50.6 -64.4 -39.0 20.6 5.7 13.6 163 79 B L H X S+ 0 0 11 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.888 107.6 52.0 -67.0 -39.5 17.6 3.5 14.2 164 80 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 108.1 52.8 -60.2 -44.4 19.6 1.2 16.4 165 81 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.906 109.2 48.8 -59.4 -41.5 20.8 4.2 18.4 166 82 B E H X S+ 0 0 77 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.938 112.6 47.8 -62.1 -47.5 17.2 5.3 18.9 167 83 B G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.886 108.3 55.9 -58.4 -39.0 16.2 1.8 20.0 168 84 B K H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.915 106.2 49.8 -66.1 -39.3 19.2 1.6 22.3 169 85 B D H X S+ 0 0 72 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.877 113.0 47.0 -66.5 -36.5 18.2 4.8 24.1 170 86 B L H ><>S+ 0 0 32 -4,-1.8 5,-2.5 2,-0.2 3,-0.7 0.879 110.3 52.9 -69.8 -37.0 14.7 3.3 24.5 171 87 B F H ><5S+ 0 0 38 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.920 105.1 56.1 -60.3 -43.2 16.2 0.0 25.7 172 88 B E H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 106.5 49.0 -70.5 -13.0 18.1 2.0 28.3 173 89 B T T <<5S- 0 0 87 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.177 119.6-111.0-104.0 12.8 14.9 3.5 29.7 174 90 B A T < 5S+ 0 0 54 -3,-2.1 2,-1.4 1,-0.2 3,-0.2 0.683 76.0 136.9 62.8 21.0 13.3 0.0 29.9 175 91 B N >< + 0 0 65 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.608 21.3 160.9 -87.2 71.8 10.9 0.9 27.1 176 92 B Y H > + 0 0 51 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.847 64.7 54.9 -69.1 -36.5 11.6 -2.6 25.6 177 93 B G H > S+ 0 0 42 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 114.0 39.9 -62.5 -45.9 8.4 -2.7 23.5 178 94 B E H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.864 114.3 54.0 -71.1 -36.3 9.2 0.6 21.7 179 95 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.924 103.5 57.0 -63.0 -44.0 12.9 -0.3 21.5 180 96 B L H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.882 101.7 56.7 -53.5 -45.2 12.0 -3.6 19.8 181 97 B V H X S+ 0 0 87 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.901 107.3 47.9 -54.1 -43.8 10.2 -1.6 17.1 182 98 B F H X S+ 0 0 49 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.907 110.9 50.1 -68.2 -39.5 13.3 0.4 16.2 183 99 B F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.899 111.3 48.5 -66.6 -38.0 15.6 -2.7 16.1 184 100 B E H X S+ 0 0 63 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.915 110.3 52.3 -66.6 -41.0 13.1 -4.5 13.8 185 101 B K H X S+ 0 0 124 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.917 109.4 49.0 -56.7 -47.0 13.0 -1.3 11.6 186 102 B A H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.8 0.950 110.5 51.3 -58.0 -51.0 16.8 -1.3 11.4 187 103 B L H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 113.2 45.1 -51.5 -43.5 16.8 -5.0 10.5 188 104 B N H 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.675 111.9 53.0 -78.4 -17.9 14.2 -4.4 7.7 189 105 B L H << S+ 0 0 31 -4,-1.3 2,-0.4 -3,-0.8 -2,-0.2 0.890 112.2 30.8 -87.3 -41.9 15.9 -1.3 6.3 190 106 B S < - 0 0 2 -4,-1.9 -1,-0.2 -5,-0.1 -37,-0.0 -0.970 50.5-161.0-126.5 135.3 19.5 -2.4 5.7 191 107 B D + 0 0 139 -2,-0.4 -1,-0.1 -3,-0.1 -4,-0.1 0.227 48.9 138.6 -92.5 9.2 20.9 -5.8 4.8 192 108 B N > - 0 0 41 -39,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.335 58.4-131.2 -56.5 136.5 24.3 -4.7 6.0 193 109 B E H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.851 104.5 46.5 -65.4 -37.8 25.9 -7.6 7.9 194 110 B E H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.935 111.5 51.3 -69.5 -45.7 26.9 -5.5 11.0 195 111 B I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.930 110.3 51.2 -53.2 -47.0 23.5 -3.9 11.2 196 112 B K H X S+ 0 0 129 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.931 113.1 43.4 -58.7 -45.8 21.9 -7.3 11.1 197 113 B K H X S+ 0 0 154 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.921 117.8 43.3 -70.4 -40.3 24.1 -8.7 13.9 198 114 B I H X S+ 0 0 31 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.957 116.2 46.6 -70.9 -49.5 23.8 -5.7 16.1 199 115 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.861 113.5 50.8 -58.0 -37.1 20.0 -5.1 15.6 200 116 B S H X S+ 0 0 44 -4,-2.0 4,-2.3 -5,-0.4 -1,-0.2 0.882 108.5 51.6 -71.2 -39.4 19.5 -8.9 16.1 201 117 B F H X S+ 0 0 110 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.965 113.8 42.5 -55.4 -54.4 21.5 -8.8 19.3 202 118 B Y H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.857 110.8 57.2 -66.3 -34.4 19.4 -5.8 20.7 203 119 B L H X S+ 0 0 9 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.944 109.2 45.7 -59.2 -49.3 16.2 -7.5 19.5 204 120 B E H X S+ 0 0 88 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.883 109.1 55.2 -61.9 -39.5 17.0 -10.5 21.5 205 121 B E H X S+ 0 0 45 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.897 109.2 47.7 -59.0 -40.6 17.9 -8.4 24.5 206 122 B C H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.909 110.1 52.5 -63.2 -44.3 14.5 -6.8 24.3 207 123 B R H X S+ 0 0 106 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.882 107.3 52.5 -61.9 -38.1 12.8 -10.2 24.0 208 124 B K H <>S+ 0 0 97 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.953 113.2 42.8 -58.7 -52.2 14.7 -11.4 27.1 209 125 B K H ><5S+ 0 0 104 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.904 112.1 54.0 -64.4 -39.9 13.4 -8.4 29.1 210 126 B L H 3<5S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.809 106.7 52.4 -65.1 -27.9 9.9 -8.7 27.7 211 127 B A T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.458 118.2-113.2 -85.8 -3.5 9.8 -12.3 28.8 212 128 B G T < 5 0 0 67 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.714 360.0 360.0 76.7 22.8 10.7 -11.3 32.3 213 129 B D < 0 0 145 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.300 360.0 360.0 -82.0 360.0 14.1 -13.1 32.0