==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 17-MAR-08 2VQL . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN CGL0972; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR K.ZIEGLER,R.BENZ,G.E.SCHULZ . 296 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.0 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 1 3 0 0 0 0 1 0 3 3 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 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 . 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 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 13 A L 0 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.2 -23.9 30.1 -35.9 2 14 A S > - 0 0 73 1,-0.2 2,-3.2 2,-0.1 3,-1.1 0.104 360.0 -78.7 -56.4 162.2 -24.0 32.8 -33.0 3 15 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.054 113.5 87.3 -58.8 34.9 -21.6 33.0 -30.0 4 16 A Q T 3 S+ 0 0 132 -2,-3.2 2,-0.4 1,-0.1 -2,-0.1 0.857 105.3 11.4 -87.1 -60.7 -23.5 30.1 -28.3 5 17 A Y S < S+ 0 0 123 -3,-1.1 2,-0.2 4,-0.1 -1,-0.1 -0.744 87.0 135.2-126.2 79.6 -21.6 27.2 -29.9 6 18 A N > - 0 0 54 -2,-0.4 4,-1.1 -3,-0.1 -4,-0.1 -0.367 68.6 -95.5-101.2-168.8 -18.4 28.5 -31.7 7 19 A W H > S+ 0 0 222 -2,-0.2 4,-1.2 2,-0.2 5,-0.1 0.781 117.6 57.0 -82.9 -27.7 -14.9 26.9 -31.5 8 20 A V H > S+ 0 0 70 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.973 111.0 39.6 -66.2 -59.0 -13.6 29.2 -28.7 9 21 A A H > S+ 0 0 38 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.926 116.9 51.0 -56.6 -48.5 -16.3 28.4 -26.2 10 22 A a H X S+ 0 0 14 -4,-1.1 4,-3.5 2,-0.2 -1,-0.2 0.793 110.0 52.4 -59.4 -29.7 -16.3 24.7 -27.2 11 23 A G H X S+ 0 0 32 -4,-1.2 4,-3.4 2,-0.2 -2,-0.2 0.955 108.3 47.3 -69.8 -53.1 -12.5 24.9 -26.7 12 24 A I H X S+ 0 0 127 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.915 117.0 47.3 -50.0 -45.3 -12.8 26.4 -23.2 13 25 A L H X S+ 0 0 36 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.976 112.2 46.1 -60.1 -59.9 -15.4 23.6 -22.7 14 26 A E H X S+ 0 0 74 -4,-3.5 4,-2.0 2,-0.2 5,-0.2 0.883 114.9 50.1 -52.4 -43.8 -13.2 20.8 -24.2 15 27 A G H >X S+ 0 0 38 -4,-3.4 4,-2.8 1,-0.2 3,-0.8 0.990 109.8 48.6 -54.0 -65.6 -10.3 22.1 -22.1 16 28 A G H 3X S+ 0 0 23 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.764 111.5 52.0 -45.1 -34.5 -12.2 22.2 -18.9 17 29 A L H 3<>S+ 0 0 3 -4,-2.2 5,-1.9 2,-0.2 6,-0.9 0.857 111.2 43.8 -77.7 -36.5 -13.4 18.6 -19.5 18 30 A K H <<5S+ 0 0 125 -4,-2.0 -2,-0.2 -3,-0.8 -1,-0.2 0.820 110.7 60.1 -72.5 -31.4 -9.9 17.2 -20.1 19 31 A A H <5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.979 109.3 38.5 -57.0 -61.5 -8.8 19.2 -17.1 20 32 A A T <5S- 0 0 34 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.572 116.8-124.7 -69.1 -9.1 -11.3 17.5 -14.7 21 33 A G T 5S+ 0 0 49 -4,-0.3 -3,-0.2 -5,-0.1 -2,-0.1 0.989 76.1 114.4 67.7 66.1 -10.4 14.4 -16.6 22 34 A V < + 0 0 9 -5,-1.9 -4,-0.2 17,-0.0 13,-0.1 0.391 47.1 97.1-137.2 -14.4 -13.7 13.0 -17.8 23 35 A L + 0 0 31 -6,-0.9 2,-0.3 -9,-0.1 49,-0.1 -0.454 49.8 176.6 -80.9 155.7 -13.5 13.4 -21.6 24 36 A E > - 0 0 130 47,-0.2 3,-0.7 -2,-0.1 2,-0.1 -0.983 34.0 -86.5-156.0 159.8 -12.4 10.5 -23.8 25 37 A E T 3 S+ 0 0 177 -2,-0.3 47,-0.0 1,-0.2 46,-0.0 -0.439 109.7 6.8 -70.6 146.7 -11.9 9.3 -27.4 26 38 A G T 3 S+ 0 0 45 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.889 96.1 167.3 44.6 50.1 -15.0 8.0 -29.2 27 39 A Q < - 0 0 10 -3,-0.7 46,-3.3 44,-0.3 2,-0.3 -0.723 29.8-137.0-101.8 144.7 -17.1 9.0 -26.3 28 40 A Y B >> -a 73 0A 74 -2,-0.3 4,-1.7 44,-0.2 3,-1.0 -0.752 24.6-113.8-100.3 144.8 -20.9 9.1 -26.1 29 41 A N H 3> S+ 0 0 9 44,-2.6 4,-2.1 -2,-0.3 3,-0.3 0.848 117.3 48.5 -34.9 -54.0 -23.0 11.9 -24.5 30 42 A R H 3> S+ 0 0 56 1,-0.2 4,-1.8 43,-0.2 -1,-0.3 0.834 106.3 56.0 -63.6 -37.4 -24.3 9.5 -21.9 31 43 A E H <> S+ 0 0 96 -3,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.868 110.4 45.3 -63.3 -39.6 -20.9 8.2 -21.0 32 44 A L H >X S+ 0 0 0 -4,-1.7 4,-3.2 -3,-0.3 3,-0.8 0.938 107.7 55.5 -69.6 -51.8 -19.5 11.7 -20.2 33 45 A A H 3X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.892 109.5 49.6 -45.5 -44.6 -22.6 12.7 -18.2 34 46 A E H 3X S+ 0 0 73 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.788 111.5 48.2 -69.1 -29.1 -21.9 9.7 -16.0 35 47 A A H < S+ 0 0 42 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.975 112.1 41.5 -54.0 -57.7 -19.0 10.6 -10.8 39 51 A K H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.580 114.0 57.9 -70.4 -8.2 -16.5 13.4 -10.1 40 52 A G H 3< S+ 0 0 8 -4,-0.6 2,-0.2 -3,-0.4 -1,-0.2 0.817 84.2 90.1 -88.7 -36.0 -19.4 15.5 -8.9 41 53 A E << + 0 0 116 -4,-2.1 2,-0.2 -3,-0.5 11,-0.0 -0.460 48.2 127.2 -72.7 128.3 -20.7 13.4 -6.1 42 54 A G S > S- 0 0 18 -2,-0.2 4,-2.5 149,-0.1 5,-0.3 -0.599 75.0 -35.0-145.0-147.8 -19.3 14.0 -2.7 43 55 A F H > S+ 0 0 5 147,-2.8 4,-2.3 144,-0.2 5,-0.3 0.933 132.6 49.1 -42.0 -60.9 -20.6 14.6 0.8 44 56 A W H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 8,-0.3 0.788 114.8 41.3 -62.7 -38.4 -23.6 16.7 -0.4 45 57 A T H 4 S+ 0 0 18 -3,-0.2 7,-0.5 6,-0.2 -1,-0.2 0.944 116.6 48.3 -72.3 -50.2 -24.9 14.4 -3.0 46 58 A T H < S+ 0 0 83 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.773 119.5 40.4 -63.2 -25.9 -24.4 11.2 -1.0 47 59 A Q H < S+ 0 0 56 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.714 118.0 45.8 -94.1 -25.0 -26.1 12.9 2.0 48 60 A F >X - 0 0 79 -4,-1.4 4,-2.8 -5,-0.3 3,-0.6 -0.950 60.0-161.1-128.5 112.8 -28.9 14.7 0.2 49 61 A P H 3> S+ 0 0 114 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.841 94.6 57.0 -50.9 -40.4 -31.0 13.0 -2.5 50 62 A Q H 3> S+ 0 0 174 2,-0.2 4,-1.6 1,-0.2 -5,-0.1 0.806 112.7 39.4 -69.0 -31.4 -32.2 16.3 -3.9 51 63 A I H <> S+ 0 0 41 -3,-0.6 4,-2.5 -7,-0.3 -6,-0.2 0.842 109.5 60.4 -82.7 -38.4 -28.6 17.5 -4.5 52 64 A G H X S+ 0 0 17 -4,-2.8 4,-1.5 -7,-0.5 -2,-0.2 0.839 109.3 45.8 -51.5 -35.6 -27.6 14.0 -5.7 53 65 A D H X S+ 0 0 65 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.934 106.0 55.8 -72.5 -52.6 -30.3 14.7 -8.3 54 66 A W H X S+ 0 0 94 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.875 106.9 54.8 -46.6 -43.3 -29.1 18.2 -9.1 55 67 A N H X S+ 0 0 5 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.985 109.7 42.4 -52.5 -68.1 -25.7 16.6 -9.8 56 68 A E H X S+ 0 0 72 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.839 114.6 55.0 -49.2 -38.5 -27.0 14.0 -12.4 57 69 A D H X S+ 0 0 36 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.958 115.1 35.2 -61.6 -54.8 -29.2 16.8 -13.9 58 70 A Q H X S+ 0 0 48 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.862 115.7 56.3 -70.5 -37.0 -26.3 19.2 -14.5 59 71 A A H X S+ 0 0 1 -4,-3.5 4,-1.3 -5,-0.3 -1,-0.2 0.902 111.7 44.9 -58.0 -41.8 -23.9 16.4 -15.3 60 72 A A H X S+ 0 0 17 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.897 114.2 47.2 -68.6 -43.8 -26.4 15.3 -18.0 61 73 A A H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.841 107.7 56.3 -70.9 -34.5 -27.0 18.9 -19.3 62 74 A L H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 104.6 52.9 -65.1 -38.2 -23.2 19.6 -19.5 63 75 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.816 105.4 56.1 -65.3 -31.1 -22.7 16.6 -21.7 64 76 A D H X S+ 0 0 38 -4,-1.1 4,-2.1 2,-0.2 3,-0.4 0.960 107.0 47.0 -64.7 -50.4 -25.4 18.0 -24.0 65 77 A R H X S+ 0 0 117 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.929 113.0 52.5 -52.1 -43.6 -23.5 21.3 -24.3 66 78 A A H <>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 6,-0.7 0.806 106.0 52.5 -62.5 -34.2 -20.5 19.0 -25.0 67 79 A Q H ><5S+ 0 0 64 -4,-1.8 3,-1.9 -3,-0.4 -1,-0.2 0.900 104.8 53.7 -70.5 -42.1 -22.4 17.1 -27.7 68 80 A T H 3<5S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.9 58.3 -61.9 -29.5 -23.3 20.2 -29.6 69 81 A a T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.401 117.1-117.7 -80.0 2.3 -19.6 21.1 -29.6 70 82 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.488 81.8 124.6 74.5 3.7 -19.0 17.8 -31.4 71 83 A L S - 0 0 65 -2,-0.4 4,-1.2 1,-0.1 3,-0.2 0.122 25.8-122.2 -98.6 168.9 -41.7 10.8 -39.9 81 19 B W H > S+ 0 0 211 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.760 112.0 69.9 -44.4 -37.0 -44.1 12.7 -37.7 82 20 B V H > S+ 0 0 60 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.945 95.4 48.4 -56.1 -54.4 -45.7 9.3 -37.5 83 21 B A H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.912 114.1 48.0 -51.9 -46.8 -42.9 7.8 -35.4 84 22 B b H X S+ 0 0 27 -4,-1.2 4,-3.4 2,-0.2 -2,-0.2 0.911 110.9 50.7 -60.4 -47.3 -43.1 10.9 -33.1 85 23 B G H X S+ 0 0 41 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.959 112.2 46.4 -52.3 -55.9 -46.9 10.6 -32.9 86 24 B I H X S+ 0 0 123 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.920 114.3 49.3 -53.5 -48.9 -46.6 6.9 -32.0 87 25 B L H X S+ 0 0 40 -4,-3.0 4,-2.4 -5,-0.2 5,-0.3 0.966 111.0 47.7 -55.4 -59.2 -43.9 7.8 -29.4 88 26 B E H X S+ 0 0 63 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.918 113.5 48.6 -47.5 -53.5 -45.9 10.7 -27.8 89 27 B G H X S+ 0 0 39 -4,-2.8 4,-3.9 1,-0.2 -1,-0.2 0.920 111.2 49.6 -53.7 -51.1 -49.0 8.4 -27.6 90 28 B G H X S+ 0 0 42 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.826 115.6 43.8 -56.5 -36.4 -47.0 5.6 -26.1 91 29 B L H <>S+ 0 0 12 -4,-2.4 5,-1.8 2,-0.2 6,-1.4 0.781 113.8 49.2 -81.2 -30.7 -45.5 8.1 -23.5 92 30 B K H ><5S+ 0 0 113 -4,-3.0 3,-1.4 -5,-0.3 -2,-0.2 0.912 112.0 50.7 -69.0 -44.0 -48.9 9.7 -22.9 93 31 B A H 3<5S+ 0 0 87 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.951 106.3 53.5 -51.2 -54.5 -50.2 6.1 -22.5 94 32 B A T 3<5S- 0 0 44 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.469 110.7-128.9 -64.8 -1.4 -47.4 5.5 -20.0 95 33 B G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 1,-0.1 -1,-0.1 0.613 79.8 112.8 65.0 14.1 -48.6 8.6 -18.2 96 34 B V < + 0 0 10 -5,-1.8 2,-0.2 2,-0.0 -4,-0.2 0.781 51.2 81.4 -89.3 -30.4 -45.1 9.9 -18.2 97 35 B L + 0 0 24 -6,-1.4 2,-0.3 -9,-0.2 49,-0.1 -0.522 53.5 175.5 -84.1 146.3 -45.4 12.9 -20.6 98 36 B E > - 0 0 143 -2,-0.2 3,-0.9 0, 0.0 8,-0.1 -0.977 36.8 -91.8-144.6 152.5 -46.8 16.3 -19.4 99 37 B E T 3 S+ 0 0 178 -2,-0.3 47,-0.1 1,-0.2 46,-0.0 -0.353 109.5 18.7 -63.2 145.7 -47.3 19.8 -21.0 100 38 B G T 3 S+ 0 0 47 1,-0.2 -1,-0.2 45,-0.1 2,-0.1 0.747 93.5 158.9 65.8 27.8 -44.4 22.2 -20.6 101 39 B Q < - 0 0 12 -3,-0.9 46,-3.1 44,-0.3 2,-0.2 -0.461 33.8-136.4 -89.6 152.9 -42.0 19.4 -19.7 102 40 B Y B > -b 147 0B 85 44,-0.2 4,-1.9 -2,-0.1 3,-0.2 -0.661 31.4-100.0-103.0 162.6 -38.2 19.3 -19.9 103 41 B N H > S+ 0 0 5 44,-1.6 4,-2.1 -2,-0.2 45,-0.1 0.889 119.3 33.1 -47.3 -51.0 -35.9 16.6 -21.3 104 42 B R H > S+ 0 0 27 2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.697 105.1 65.8 -93.8 -15.3 -35.0 15.1 -18.0 105 43 B E H > S+ 0 0 97 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 114.3 40.8 -55.6 -43.4 -38.2 15.7 -16.0 106 44 B L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.3 0.941 113.0 51.6 -66.0 -52.3 -39.3 13.2 -18.6 107 45 B A H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.868 113.3 45.6 -57.3 -39.7 -36.2 11.0 -18.5 108 46 B E H X S+ 0 0 58 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.921 111.9 52.8 -66.8 -43.4 -36.6 10.8 -14.7 109 47 B A H X S+ 0 0 30 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.893 110.5 46.7 -60.7 -42.4 -40.3 10.1 -15.1 110 48 B I H < S+ 0 0 23 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.911 108.5 55.7 -65.2 -42.9 -39.6 7.2 -17.5 111 49 B A H >X S+ 0 0 7 -4,-1.9 3,-0.7 -5,-0.2 4,-0.6 0.815 103.3 55.2 -63.9 -32.7 -36.9 5.7 -15.3 112 50 B A H >< S+ 0 0 57 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.937 99.6 58.7 -64.7 -48.0 -39.3 5.5 -12.3 113 51 B K T 3< S+ 0 0 153 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.647 110.5 47.5 -54.5 -14.2 -41.8 3.5 -14.3 114 52 B G T <4 S+ 0 0 40 -3,-0.7 2,-2.1 -4,-0.5 5,-0.4 0.612 80.8 99.9-103.6 -16.1 -39.0 1.0 -14.8 115 53 B E << + 0 0 125 -3,-1.5 -1,-0.1 -4,-0.6 -3,-0.1 -0.405 51.0 114.5 -85.0 71.5 -37.5 0.6 -11.3 116 54 B G S > S- 0 0 22 -2,-2.1 4,-1.1 -3,-0.1 -2,-0.1 0.399 83.7 -25.0 -98.4-124.4 -39.1 -2.7 -10.1 117 55 B F H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.890 132.2 48.8 -62.8 -47.2 -37.3 -5.9 -9.2 118 56 B W H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 7,-0.2 0.964 108.5 48.7 -62.3 -58.0 -34.2 -5.6 -11.4 119 57 B T H 4 S+ 0 0 22 -5,-0.4 7,-0.3 1,-0.2 -1,-0.2 0.799 112.8 51.3 -55.5 -32.9 -33.1 -2.1 -10.5 120 58 B T H < S+ 0 0 94 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.941 116.3 37.3 -71.2 -47.1 -33.4 -2.9 -6.8 121 59 B Q H < S+ 0 0 59 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.754 124.5 40.6 -75.9 -25.8 -31.3 -6.2 -7.0 122 60 B F >X - 0 0 37 -4,-2.7 4,-1.3 -5,-0.2 3,-0.7 -0.910 52.6-171.9-134.4 107.2 -28.8 -4.8 -9.5 123 61 B P H 3> S+ 0 0 111 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.839 91.6 68.0 -58.9 -35.5 -27.3 -1.3 -9.5 124 62 B Q H 3> S+ 0 0 174 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.902 103.5 42.8 -45.8 -47.2 -25.8 -2.2 -12.9 125 63 B I H <> S+ 0 0 41 -3,-0.7 4,-2.7 -7,-0.2 -1,-0.2 0.776 102.1 66.6 -78.1 -29.1 -29.4 -2.3 -14.3 126 64 B G H X S+ 0 0 19 -4,-1.3 4,-2.2 -7,-0.3 -1,-0.2 0.893 104.7 47.2 -53.8 -41.0 -30.4 0.9 -12.5 127 65 B D H X S+ 0 0 58 -4,-1.6 4,-2.9 -3,-0.2 -2,-0.2 0.958 108.7 51.3 -65.3 -54.4 -27.9 2.6 -14.8 128 66 B W H X S+ 0 0 149 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.881 111.3 52.1 -47.5 -42.0 -29.1 0.9 -18.0 129 67 B N H X S+ 0 0 34 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.941 111.2 42.7 -63.6 -51.7 -32.6 2.1 -16.9 130 68 B E H X S+ 0 0 77 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.822 116.1 53.8 -62.9 -31.1 -31.5 5.8 -16.4 131 69 B D H X S+ 0 0 16 -4,-2.9 4,-1.9 2,-0.2 3,-0.4 0.982 112.4 38.8 -65.8 -61.1 -29.6 5.4 -19.7 132 70 B Q H X S+ 0 0 77 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.859 115.5 54.5 -59.3 -37.9 -32.4 4.1 -21.9 133 71 B A H X S+ 0 0 2 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.835 109.8 47.5 -64.1 -33.2 -34.8 6.5 -20.1 134 72 B A H X S+ 0 0 19 -4,-1.3 4,-0.8 -3,-0.4 -2,-0.2 0.809 114.4 46.3 -77.0 -31.7 -32.4 9.4 -21.1 135 73 B A H >X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 3,-0.5 0.920 110.5 51.8 -74.3 -46.8 -32.2 8.2 -24.6 136 74 B L H 3X S+ 0 0 48 -4,-3.2 4,-1.4 1,-0.3 -2,-0.2 0.806 110.2 50.6 -59.6 -32.2 -35.9 7.7 -25.0 137 75 B A H 3X S+ 0 0 0 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.3 0.728 106.7 54.5 -77.7 -25.9 -36.3 11.3 -23.7 138 76 B D H S+ 0 0 0 -4,-1.4 5,-2.3 -5,-0.2 6,-0.3 0.888 108.4 49.6 -58.9 -40.8 -38.9 12.6 -27.5 141 79 B Q H ><5S+ 0 0 56 -4,-1.4 3,-2.3 -3,-0.3 -2,-0.2 0.894 105.0 53.9 -70.4 -42.4 -37.0 16.0 -27.7 142 80 B T H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 105.4 57.5 -62.4 -28.2 -36.0 15.7 -31.4 143 81 B b T 3<5S- 0 0 37 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.477 119.7-117.1 -75.0 -4.8 -39.7 15.1 -32.0 144 82 B G T < 5S+ 0 0 61 -3,-2.3 -3,-0.2 2,-0.1 -2,-0.1 0.648 79.5 126.6 77.7 16.7 -40.3 18.5 -30.3 145 83 B L S - 0 0 75 -2,-0.4 4,-2.6 -3,-0.2 5,-0.3 -0.526 64.3 -63.4-125.1-166.7 -35.0 17.3 18.9 158 19 C W H > S+ 0 0 234 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.829 131.4 41.4 -53.8 -39.1 -33.8 13.9 20.2 159 20 C V H >> S+ 0 0 81 2,-0.2 4,-2.2 1,-0.1 3,-0.6 0.993 115.5 46.0 -69.4 -65.3 -34.8 12.1 17.0 160 21 C A H 3> S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.799 111.2 53.5 -52.6 -39.0 -33.6 14.7 14.4 161 22 C c H 3X S+ 0 0 19 -4,-2.6 4,-3.1 2,-0.2 -1,-0.3 0.915 108.3 49.8 -63.2 -43.8 -30.3 15.2 16.1 162 23 C G H S+ 0 0 2 -4,-1.7 5,-1.5 -3,-0.3 6,-1.2 0.873 112.4 47.9 -76.2 -38.1 -21.9 12.7 9.7 169 30 C K H <5S+ 0 0 128 -4,-2.1 3,-0.3 -3,-0.2 -2,-0.2 0.879 111.9 50.9 -67.0 -40.4 -20.6 9.5 11.1 170 31 C A H <5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 110.6 48.1 -60.7 -46.6 -21.5 7.7 7.8 171 32 C A H <5S- 0 0 15 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.589 107.9-129.6 -73.4 -12.9 -19.6 10.4 5.8 172 33 C G T <5S+ 0 0 50 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.630 77.7 115.5 76.2 14.2 -16.7 10.1 8.2 173 34 C V < + 0 0 6 -5,-1.5 2,-0.3 2,-0.0 -4,-0.2 0.728 57.6 78.6 -85.2 -25.7 -16.5 13.8 8.7 174 35 C L + 0 0 26 -6,-1.2 2,-0.2 -9,-0.1 49,-0.1 -0.663 56.6 173.2 -91.0 139.6 -17.4 13.6 12.4 175 36 C E > - 0 0 143 -2,-0.3 3,-0.6 0, 0.0 2,-0.3 -0.723 42.9 -63.0-131.1-177.1 -14.8 12.6 15.1 176 37 C E T 3 S- 0 0 190 1,-0.2 47,-0.0 -2,-0.2 46,-0.0 -0.565 106.1 -21.0 -80.4 128.5 -14.7 12.4 18.9 177 38 C G T 3 S+ 0 0 42 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.886 90.4 159.4 40.2 62.1 -15.2 15.7 20.8 178 39 C Q < - 0 0 12 -3,-0.6 46,-1.7 44,-0.4 2,-0.3 -0.658 38.4-104.6-105.6 167.5 -14.2 18.0 17.9 179 40 C Y B >> -c 224 0C 89 -2,-0.2 4,-1.9 44,-0.2 3,-0.6 -0.660 28.1-108.8 -96.6 149.7 -14.9 21.7 17.5 180 41 C N H 3> S+ 0 0 12 44,-1.3 4,-2.7 -2,-0.3 5,-0.2 0.832 119.0 52.2 -34.5 -55.2 -17.4 23.3 15.1 181 42 C R H 3> S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.931 107.5 51.2 -49.9 -53.9 -14.6 24.7 12.9 182 43 C E H <> S+ 0 0 82 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.889 113.1 45.1 -56.1 -45.1 -13.0 21.2 12.5 183 44 C L H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-0.3 0.956 112.9 49.1 -63.8 -53.7 -16.3 19.6 11.5 184 45 C A H X S+ 0 0 13 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.871 113.2 49.2 -53.7 -40.2 -17.2 22.4 9.1 185 46 C E H X S+ 0 0 138 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.3 0.836 113.7 45.9 -68.2 -34.0 -13.7 22.1 7.6 186 47 C A H X S+ 0 0 29 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.914 110.2 51.7 -75.7 -45.0 -14.1 18.3 7.3 187 48 C I H X S+ 0 0 0 -4,-3.5 4,-1.6 1,-0.2 3,-0.3 0.927 109.9 52.1 -52.5 -47.0 -17.5 18.4 5.8 188 49 C A H X S+ 0 0 11 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.885 104.5 54.3 -59.4 -43.4 -16.2 20.8 3.2 189 50 C A H < S+ 0 0 66 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 113.7 43.3 -59.7 -35.1 -13.3 18.5 2.3 190 51 C K H < S+ 0 0 102 -4,-1.7 -147,-2.8 -3,-0.3 -1,-0.3 0.724 111.0 57.3 -78.0 -25.3 -15.9 15.8 1.6 191 52 C G H < S+ 0 0 10 -4,-1.6 -2,-0.2 -149,-0.2 -1,-0.2 0.739 81.6 101.0 -79.7 -26.1 -18.1 18.4 -0.2 192 53 C E < + 0 0 116 -4,-1.7 -149,-0.1 -5,-0.1 2,-0.1 -0.392 45.0 123.6 -63.8 133.2 -15.4 19.4 -2.8 193 54 C G S S- 0 0 24 -2,-0.1 4,-0.3 -151,-0.1 -153,-0.2 -0.241 74.1 -42.3-149.7-118.7 -16.0 17.7 -6.2 194 55 C F S > S+ 0 0 9 -154,-0.2 4,-0.8 -158,-0.1 -154,-0.2 0.759 127.6 49.4-100.2 -36.6 -16.4 18.8 -9.8 195 56 C W H > S+ 0 0 22 -155,-0.2 4,-1.7 2,-0.2 7,-0.3 0.743 109.0 51.2 -82.7 -24.8 -18.8 21.7 -9.3 196 57 C T H 4 S+ 0 0 21 2,-0.2 7,-0.4 6,-0.2 -1,-0.2 0.883 110.1 48.7 -75.5 -41.5 -16.9 23.5 -6.6 197 58 C T H 4 S+ 0 0 95 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.688 119.8 38.7 -74.6 -20.5 -13.6 23.5 -8.5 198 59 C Q H < S+ 0 0 82 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.779 122.5 40.7 -93.3 -36.2 -15.3 24.8 -11.6 199 60 C F X - 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