==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-MAY-06 2GVI . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 1.0 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 1 0 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 1 A X 0 0 118 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.7 40.4 38.8 2.9 2 2 A E + 0 0 98 2,-0.0 2,-0.3 9,-0.0 0, 0.0 -0.442 360.0 105.0-167.8 88.0 37.5 39.9 5.1 3 3 A K - 0 0 72 -2,-0.1 7,-3.5 2,-0.0 2,-0.3 -0.902 53.0-123.9-164.7 137.1 34.0 41.0 3.8 4 4 A L E -A 9 0A 116 -2,-0.3 2,-0.4 5,-0.3 -2,-0.0 -0.660 17.0-173.8 -99.4 141.0 30.6 39.2 3.9 5 5 A N E > S-A 8 0A 66 3,-3.1 3,-1.8 -2,-0.3 -2,-0.0 -0.997 89.7 -13.2-123.9 117.4 28.1 38.2 1.2 6 6 A F T 3 S- 0 0 42 -2,-0.4 -1,-0.1 1,-0.3 138,-0.0 0.873 129.7 -57.6 55.0 38.4 24.9 36.7 2.7 7 7 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 138,-0.0 -3,-0.1 0.499 120.7 104.5 72.8 6.9 26.8 36.4 6.1 8 8 A I E < S-A 5 0A 3 -3,-1.8 -3,-3.1 -5,-0.0 -1,-0.2 -0.934 83.4 -96.9-118.3 138.8 29.5 34.2 4.5 9 9 A P E >> -A 4 0A 12 0, 0.0 3,-0.9 0, 0.0 4,-0.9 -0.271 25.8-129.9 -60.0 139.7 33.0 35.6 3.7 10 10 A E H 3> S+ 0 0 44 -7,-3.5 4,-1.3 1,-0.2 3,-0.5 0.827 106.3 62.8 -56.2 -35.2 33.4 36.7 0.1 11 11 A W H 3> S+ 0 0 81 -8,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.841 94.8 59.4 -60.4 -36.2 36.6 34.6 -0.1 12 12 A A H <> S+ 0 0 1 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.853 105.7 49.2 -61.5 -37.2 34.8 31.4 0.6 13 13 A F H X S+ 0 0 19 -4,-0.9 4,-2.4 -3,-0.5 -1,-0.2 0.806 108.9 52.3 -69.4 -34.7 32.7 32.0 -2.6 14 14 A E H < S+ 0 0 162 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.874 111.1 48.1 -68.4 -39.2 35.8 32.7 -4.6 15 15 A F H < S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.953 117.4 40.2 -61.5 -51.7 37.3 29.4 -3.4 16 16 A H H < S- 0 0 23 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.832 101.2-139.7 -69.4 -36.3 34.1 27.4 -4.2 17 17 A G < + 0 0 58 -4,-2.4 2,-0.3 -5,-0.1 -3,-0.1 0.150 65.3 36.3 100.4 -16.2 33.5 29.4 -7.5 18 18 A H S S- 0 0 54 -5,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.940 80.7 -94.7-155.2 173.9 29.7 29.8 -7.4 19 19 A K + 0 0 71 -2,-0.3 118,-0.1 109,-0.1 3,-0.0 -0.847 51.2 141.4 -99.9 130.5 26.6 30.5 -5.3 20 20 A C - 0 0 7 -2,-0.4 3,-0.0 116,-0.1 116,-0.0 -0.933 56.4-110.8-156.5 163.1 24.6 27.5 -4.1 21 21 A P S > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.833 105.0 59.6 -71.3 -29.4 22.8 26.7 -0.8 22 22 A Y H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.809 96.0 54.7 -76.1 -35.8 25.1 24.0 0.4 23 23 A X H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.964 112.0 46.2 -62.4 -53.1 28.5 25.6 0.7 24 24 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 -2,-0.2 0.886 111.6 53.0 -52.5 -40.3 27.0 28.4 3.0 25 25 A X H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.896 111.0 46.0 -61.3 -41.5 25.2 25.6 5.0 26 26 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.863 112.1 51.2 -68.1 -38.0 28.5 23.8 5.5 27 27 A Y H X S+ 0 0 29 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.945 111.8 47.0 -62.5 -49.4 30.2 27.1 6.4 28 28 A R H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.894 112.2 50.5 -58.1 -42.1 27.5 27.8 8.9 29 29 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 47.0 -64.2 -45.7 27.7 24.2 10.3 30 30 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.906 112.6 49.4 -61.7 -45.4 31.5 24.4 10.7 31 31 A S H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.911 111.3 50.1 -59.8 -44.2 31.3 27.9 12.4 32 32 A Y H X S+ 0 0 29 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.893 106.2 54.8 -64.1 -39.9 28.7 26.5 14.7 33 33 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 110.9 46.1 -58.9 -42.3 30.8 23.5 15.6 34 34 A L H X>S+ 0 0 16 -4,-1.8 5,-2.6 2,-0.2 4,-1.4 0.902 111.0 51.7 -65.1 -46.4 33.7 25.8 16.6 35 35 A K H ><5S+ 0 0 105 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.946 112.3 46.3 -54.9 -51.4 31.3 28.1 18.6 36 36 A I H 3<5S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.913 115.6 46.5 -57.7 -46.8 30.0 25.1 20.6 37 37 A A H 3<5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.654 108.8-124.6 -70.0 -18.7 33.6 23.8 21.1 38 38 A G T <<5 + 0 0 66 -4,-1.4 2,-0.3 -3,-0.7 -3,-0.2 0.859 66.0 135.6 72.3 38.1 34.8 27.3 22.2 39 39 A L < - 0 0 30 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.2 -0.830 50.3-135.2-119.9 154.2 37.5 27.1 19.5 40 40 A E - 0 0 174 -2,-0.3 3,-0.0 1,-0.2 30,-0.0 -0.528 52.2 -65.2 -96.6 170.1 38.9 29.6 16.9 41 41 A K - 0 0 91 -2,-0.2 2,-0.8 1,-0.1 30,-0.2 -0.259 57.9-107.6 -58.9 140.1 39.5 28.6 13.3 42 42 A E + 0 0 11 28,-3.6 31,-0.1 1,-0.2 -1,-0.1 -0.617 36.5 176.0 -79.5 108.3 42.3 26.1 12.8 43 43 A K S S+ 0 0 170 -2,-0.8 -1,-0.2 29,-0.1 28,-0.1 0.713 70.9 10.0 -77.8 -23.2 45.5 27.7 11.3 44 44 A D S S- 0 0 71 28,-0.0 3,-0.1 32,-0.0 -2,-0.1 0.131 105.8 -56.4-129.0-126.3 47.6 24.4 11.5 45 45 A H S S+ 0 0 105 1,-0.1 27,-0.0 27,-0.1 3,-0.0 -0.125 89.5 99.7-128.3 39.2 47.2 20.6 12.2 46 46 A R S S+ 0 0 119 1,-0.1 2,-0.4 47,-0.0 -1,-0.1 0.724 72.0 50.2 -97.5 -31.5 45.5 20.3 15.7 47 47 A T - 0 0 5 46,-0.1 2,-0.3 -3,-0.1 46,-0.2 -0.916 67.0-142.4-119.5 143.6 41.7 19.7 15.3 48 48 A Y E -B 92 0B 35 44,-3.4 44,-2.9 -2,-0.4 2,-0.4 -0.805 7.4-164.0-108.8 145.6 39.9 17.1 13.1 49 49 A L E -Bc 91 79B 0 29,-2.9 31,-1.5 -2,-0.3 2,-0.5 -0.998 6.2-170.8-128.5 124.7 36.7 17.6 11.1 50 50 A L E -Bc 90 80B 0 40,-2.7 40,-2.5 -2,-0.4 2,-0.4 -0.977 9.2-152.6-119.2 124.6 34.8 14.6 9.8 51 51 A S E -Bc 89 81B 0 29,-2.9 31,-3.0 -2,-0.5 32,-0.4 -0.797 11.7-143.9 -92.1 141.4 31.8 14.9 7.4 52 52 A E S S+ 0 0 8 36,-2.9 34,-1.5 -2,-0.4 33,-1.4 0.376 70.9 100.8 -84.9 7.4 29.1 12.3 7.5 53 53 A X - 0 0 4 35,-0.3 30,-2.2 32,-0.3 31,-0.3 -0.298 62.4-141.0 -82.6 172.8 28.7 12.5 3.7 54 54 A S > - 0 0 23 29,-0.2 3,-1.4 28,-0.2 28,-0.1 -0.821 29.0-104.5-125.8 165.1 30.1 10.1 1.1 55 55 A P T 3 S+ 0 0 121 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.700 117.8 63.1 -62.7 -21.4 31.6 10.8 -2.4 56 56 A E T 3 S+ 0 0 185 2,-0.0 2,-0.3 27,-0.0 -3,-0.0 0.519 83.4 100.9 -79.0 -6.1 28.3 9.4 -3.9 57 57 A D < - 0 0 50 -3,-1.4 3,-0.5 2,-0.0 2,-0.1 -0.635 68.6-137.5 -85.3 139.5 26.3 12.2 -2.4 58 58 A X S S+ 0 0 146 -2,-0.3 -4,-0.1 1,-0.2 -2,-0.0 -0.314 88.8 50.6 -73.8 170.5 25.2 15.2 -4.5 59 59 A N > + 0 0 59 1,-0.1 3,-1.9 -2,-0.1 -1,-0.2 0.695 59.5 147.1 70.0 22.4 25.6 18.5 -2.5 60 60 A G T >> + 0 0 27 -3,-0.5 3,-1.9 1,-0.3 4,-0.6 0.559 51.8 90.8 -64.1 -13.8 29.2 17.8 -1.5 61 61 A C H 3> S+ 0 0 37 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.731 71.1 74.7 -48.4 -30.6 29.7 21.6 -1.7 62 62 A F H <> S+ 0 0 1 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.850 91.4 55.0 -46.8 -40.9 28.7 21.4 2.0 63 63 A N H <> S+ 0 0 14 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.827 102.0 54.1 -70.5 -34.0 32.2 20.0 2.6 64 64 A D H X S+ 0 0 48 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.936 111.2 47.0 -62.1 -47.0 34.0 23.0 1.0 65 65 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.910 110.3 52.0 -59.6 -46.0 32.1 25.3 3.3 66 66 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 6,-0.4 0.895 112.9 44.6 -57.6 -45.9 32.9 23.2 6.4 67 67 A Q H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.921 112.7 52.9 -64.7 -43.4 36.6 23.2 5.6 68 68 A A H < S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 111.6 44.4 -60.3 -41.3 36.4 26.9 4.9 69 69 A A H < S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.778 123.5 33.5 -73.7 -31.3 34.8 27.8 8.2 70 70 A T H < S- 0 0 0 -4,-1.5 -28,-3.6 -5,-0.2 -2,-0.2 0.664 91.9-127.9-101.2 -23.4 37.0 25.6 10.4 71 71 A G S < S+ 0 0 5 -4,-2.3 2,-1.2 -30,-0.2 -3,-0.1 0.490 70.4 128.3 78.6 4.1 40.4 25.6 8.8 72 72 A C + 0 0 0 -6,-0.4 2,-0.2 -5,-0.3 -1,-0.2 -0.760 43.2 179.5 -91.5 88.9 40.3 21.8 9.0 73 73 A T > - 0 0 40 -2,-1.2 5,-2.0 -31,-0.1 6,-0.7 -0.599 43.4-124.7-100.0 158.3 41.1 21.2 5.4 74 74 A Y T > 5S+ 0 0 177 4,-0.2 3,-1.5 -2,-0.2 5,-0.1 0.896 111.6 54.9 -60.5 -43.0 41.6 18.1 3.3 75 75 A G T 3 5S+ 0 0 74 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.867 104.4 53.0 -61.4 -40.1 45.1 19.2 2.2 76 76 A K T 3 5S- 0 0 47 1,-0.1 -1,-0.3 -5,-0.1 -2,-0.2 0.495 116.5-114.1 -74.6 -1.2 46.2 19.5 5.8 77 77 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 -4,-0.2 88,-0.2 0.685 91.7 106.9 75.7 19.0 45.1 15.9 6.6 78 78 A L < + 0 0 6 -5,-2.0 -29,-2.9 -30,-0.1 2,-0.4 0.428 61.0 69.3-108.0 -6.1 42.4 17.3 9.0 79 79 A F E +c 49 0B 14 -6,-0.7 2,-0.3 -31,-0.2 -29,-0.2 -0.973 55.6 157.6-120.2 133.4 39.2 16.7 6.9 80 80 A S E -c 50 0B 36 -31,-1.5 -29,-2.9 -2,-0.4 2,-0.4 -0.958 33.9-122.9-148.3 161.8 37.7 13.3 6.0 81 81 A L E -c 51 0B 65 -2,-0.3 -29,-0.2 -31,-0.2 -27,-0.1 -0.903 7.8-163.9-108.4 139.0 34.4 11.7 5.0 82 82 A L - 0 0 55 -31,-3.0 -30,-0.2 -2,-0.4 -28,-0.2 0.648 33.6-131.1 -93.8 -20.2 32.7 8.9 7.0 83 83 A G + 0 0 42 -30,-2.2 -29,-0.2 -32,-0.4 -30,-0.2 0.688 66.3 125.9 80.8 22.8 30.3 7.8 4.3 84 84 A Y S S- 0 0 137 -32,-0.7 -31,-0.2 -31,-0.3 -32,-0.1 0.585 71.2-124.3 -87.5 -12.7 27.0 7.7 6.2 85 85 A G + 0 0 44 -33,-1.4 2,-0.3 1,-0.3 -32,-0.3 0.778 64.7 130.9 73.8 30.5 25.1 10.0 3.9 86 86 A K - 0 0 98 -34,-1.5 2,-1.9 2,-0.1 -1,-0.3 -0.884 67.0-122.6-114.1 146.7 24.1 12.6 6.5 87 87 A L S S+ 0 0 31 -2,-0.3 16,-2.5 16,-0.2 2,-0.3 -0.636 75.1 117.9 -82.8 78.9 24.4 16.4 6.4 88 88 A A E - D 0 102B 0 -2,-1.9 -36,-2.9 14,-0.2 2,-0.3 -0.988 49.3-154.9-147.5 152.9 26.5 16.3 9.6 89 89 A L E -BD 51 101B 0 12,-2.0 12,-2.9 -2,-0.3 2,-0.5 -0.941 5.2-154.6-125.6 150.2 29.9 17.2 10.9 90 90 A I E -BD 50 100B 6 -40,-2.5 -40,-2.7 -2,-0.3 2,-0.5 -0.996 9.6-161.4-124.0 116.7 31.9 15.9 13.8 91 91 A L E -BD 49 99B 5 8,-2.6 8,-2.4 -2,-0.5 2,-0.4 -0.891 16.9-179.8 -97.0 129.3 34.6 18.3 15.2 92 92 A Y E +B 48 0B 25 -44,-2.9 -44,-3.4 -2,-0.5 6,-0.1 -0.992 19.9 177.8-139.9 128.7 37.2 16.4 17.3 93 93 A R > - 0 0 80 -2,-0.4 3,-1.3 -46,-0.2 -46,-0.1 -0.997 45.2-104.0-125.4 118.9 40.2 17.6 19.2 94 94 A P T 3 S+ 0 0 73 0, 0.0 3,-0.1 0, 0.0 67,-0.1 -0.078 105.4 29.5 -45.1 140.4 42.1 14.8 21.1 95 95 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -3,-0.0 -3,-0.0 0.472 110.5 80.2 85.5 4.4 41.5 14.8 24.8 96 96 A R S < S- 0 0 136 -3,-1.3 -1,-0.3 64,-0.1 2,-0.2 -0.916 89.9 -91.4-135.6 162.0 37.9 16.3 24.5 97 97 A K - 0 0 97 -2,-0.3 61,-0.2 -3,-0.1 -4,-0.1 -0.533 47.4-116.8 -71.8 136.4 34.5 15.0 23.7 98 98 A A E - E 0 157B 1 59,-0.8 59,-2.6 -2,-0.2 2,-0.5 -0.435 22.5-135.6 -71.3 151.7 33.7 15.3 19.9 99 99 A I E -DE 91 156B 12 -8,-2.4 -8,-2.6 57,-0.2 2,-0.5 -0.969 13.5-159.5-112.6 123.4 30.9 17.6 18.9 100 100 A R E -DE 90 155B 57 55,-3.2 55,-1.9 -2,-0.5 2,-0.4 -0.907 5.3-167.4-102.8 132.5 28.4 16.3 16.3 101 101 A V E -DE 89 154B 1 -12,-2.9 -12,-2.0 -2,-0.5 2,-0.4 -0.982 5.0-168.5-118.5 128.3 26.3 19.0 14.4 102 102 A H E -DE 88 153B 34 51,-2.3 51,-2.2 -2,-0.4 2,-0.5 -0.964 23.5-126.9-120.0 136.9 23.3 17.8 12.3 103 103 A V E - E 0 152B 2 -16,-2.5 49,-0.2 -2,-0.4 -16,-0.2 -0.681 42.0-112.2 -76.3 124.4 21.3 19.9 9.7 104 104 A R > - 0 0 58 47,-2.8 4,-1.9 -2,-0.5 3,-0.1 -0.290 8.1-135.6 -59.5 139.1 17.7 19.5 10.8 105 105 A N H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 108.7 57.0 -57.4 -43.2 15.3 17.5 8.6 106 106 A S H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.850 105.2 49.9 -59.3 -36.6 12.7 20.4 9.1 107 107 A F H > S+ 0 0 4 44,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 109.9 52.0 -66.0 -41.9 15.3 22.9 7.8 108 108 A X H X S+ 0 0 35 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.867 107.3 52.3 -62.1 -37.3 15.8 20.6 4.7 109 109 A D H X S+ 0 0 109 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.884 112.3 44.7 -65.6 -39.9 12.0 20.5 4.1 110 110 A E H X S+ 0 0 85 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.852 109.7 55.5 -73.3 -37.3 11.8 24.3 4.1 111 111 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.881 102.1 57.7 -60.1 -39.7 14.9 24.6 1.9 112 112 A S H < S+ 0 0 63 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.891 115.1 36.8 -59.7 -38.2 13.3 22.3 -0.7 113 113 A T H >< S+ 0 0 103 -4,-1.1 3,-1.7 2,-0.2 4,-0.3 0.961 119.0 48.0 -74.4 -55.9 10.3 24.8 -0.9 114 114 A R H 3< S+ 0 0 135 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.817 121.8 35.7 -53.2 -41.5 12.4 28.0 -0.5 115 115 A A T 3X S+ 0 0 1 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.3 -0.006 77.2 121.1-105.6 27.7 14.9 26.9 -3.1 116 116 A S H <> S+ 0 0 54 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 0.892 77.1 52.2 -60.7 -38.4 12.5 25.1 -5.5 117 117 A D H > S+ 0 0 91 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.951 112.0 45.2 -58.0 -51.6 13.6 27.4 -8.4 118 118 A F H > S+ 0 0 5 17,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.918 114.9 47.1 -58.0 -49.7 17.3 26.8 -7.8 119 119 A F H X S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.801 107.1 56.7 -66.9 -29.5 16.8 23.0 -7.5 120 120 A R H X S+ 0 0 137 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.918 108.3 48.7 -65.7 -44.8 14.6 22.9 -10.7 121 121 A Y H X>S+ 0 0 83 -4,-2.1 5,-2.1 1,-0.2 4,-0.7 0.934 112.5 47.8 -57.0 -48.6 17.5 24.5 -12.6 122 122 A R H ><5S+ 0 0 81 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.869 107.4 55.8 -61.3 -39.3 19.9 21.9 -11.1 123 123 A K H 3<5S+ 0 0 179 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.7 52.3 -60.6 -36.7 17.6 19.0 -12.0 124 124 A Q H 3<5S- 0 0 136 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.633 125.9-104.3 -74.0 -14.9 17.6 20.2 -15.6 125 125 A G T <<5 + 0 0 45 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.553 67.6 149.4 103.6 11.5 21.4 20.1 -15.5 126 126 A Y < - 0 0 107 -5,-2.1 -1,-0.3 2,-0.0 -2,-0.1 -0.624 45.1-128.4 -78.7 132.5 22.3 23.8 -15.3 127 127 A E > - 0 0 106 -2,-0.4 3,-2.0 1,-0.1 4,-0.4 -0.510 26.4-107.0 -76.6 150.0 25.4 24.5 -13.5 128 128 A P G > S+ 0 0 13 0, 0.0 3,-1.5 0, 0.0 -109,-0.1 0.801 118.0 60.6 -46.8 -39.2 25.2 27.1 -10.6 129 129 A S G 3 S+ 0 0 103 1,-0.3 -3,-0.0 -111,-0.1 -112,-0.0 0.788 104.5 51.1 -62.5 -24.7 27.1 29.8 -12.6 130 130 A E G < S+ 0 0 113 -3,-2.0 -1,-0.3 2,-0.1 -4,-0.0 0.501 89.7 99.0 -87.1 -9.0 24.3 29.6 -15.2 131 131 A I S < S- 0 0 13 -3,-1.5 5,-0.1 -4,-0.4 -13,-0.1 -0.670 82.5-108.3 -85.3 134.3 21.5 30.1 -12.7 132 132 A P >> - 0 0 63 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.308 20.3-122.7 -62.1 145.6 20.0 33.6 -12.3 133 133 A A H >> S+ 0 0 46 1,-0.3 4,-3.2 2,-0.2 3,-1.1 0.813 109.9 66.0 -55.8 -34.5 20.8 35.5 -9.1 134 134 A G H 34 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.711 99.0 52.1 -59.6 -25.3 17.1 35.8 -8.4 135 135 A A H <4 S+ 0 0 10 -3,-1.9 -17,-0.5 -18,-0.1 -1,-0.3 0.648 124.3 24.2 -84.5 -17.5 16.9 32.0 -7.9 136 136 A I H XX S+ 0 0 5 -3,-1.1 4,-2.2 -4,-0.6 3,-0.6 0.746 106.2 68.1-117.6 -40.7 19.7 31.9 -5.4 137 137 A D H 3X S+ 0 0 45 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.882 100.7 51.1 -54.9 -43.3 20.2 35.2 -3.6 138 138 A P H 3> S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.827 109.6 51.9 -65.3 -27.5 16.8 35.0 -1.7 139 139 A V H <> S+ 0 0 4 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.932 111.6 45.6 -70.4 -45.9 17.7 31.5 -0.5 140 140 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.856 112.0 52.2 -66.1 -35.2 21.1 32.7 0.9 141 141 A E H X S+ 0 0 105 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.926 110.0 49.0 -62.7 -47.6 19.4 35.8 2.5 142 142 A W H >X S+ 0 0 17 -4,-2.1 3,-0.7 2,-0.2 4,-0.6 0.925 110.4 50.2 -56.5 -48.8 16.9 33.4 4.2 143 143 A I H >< S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.925 109.4 51.8 -58.0 -45.9 19.7 31.2 5.5 144 144 A S H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.720 104.4 58.2 -62.7 -24.1 21.6 34.2 6.9 145 145 A S H << S+ 0 0 77 -4,-1.2 -1,-0.3 -3,-0.7 2,-0.2 0.606 91.3 90.0 -79.6 -15.0 18.5 35.3 8.7 146 146 A L S << S- 0 0 21 -3,-1.4 2,-0.1 -4,-0.6 5,-0.0 -0.611 76.8-125.2 -88.0 146.8 18.2 32.1 10.7 147 147 A E >> - 0 0 133 -2,-0.2 3,-1.3 1,-0.1 4,-1.0 -0.480 31.3-108.3 -79.5 157.5 19.9 31.4 14.0 148 148 A D H >> S+ 0 0 36 1,-0.3 4,-3.0 2,-0.2 3,-0.8 0.889 120.6 58.3 -53.0 -41.3 22.2 28.4 14.3 149 149 A E H 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.737 99.7 56.8 -61.5 -29.0 19.6 26.7 16.4 150 150 A E H <4 S+ 0 0 89 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.776 119.0 31.2 -74.5 -26.0 17.0 27.0 13.6 151 151 A I H << S+ 0 0 0 -4,-1.0 -47,-2.8 -3,-0.8 2,-0.3 0.802 120.6 40.7 -97.4 -37.4 19.2 25.1 11.2 152 152 A F E < -E 103 0B 2 -4,-3.0 2,-0.3 -49,-0.2 -49,-0.2 -0.814 48.3-161.5-124.3 158.6 21.2 22.7 13.4 153 153 A E E -E 102 0B 84 -51,-2.2 -51,-2.3 -2,-0.3 2,-0.3 -0.835 22.6-169.2-120.2 160.5 21.1 20.3 16.3 154 154 A Y E +E 101 0B 122 -2,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.981 12.3 178.6-148.2 162.3 24.2 19.2 18.2 155 155 A R E -E 100 0B 86 -55,-1.9 -55,-3.2 -2,-0.3 2,-0.4 -0.969 29.6-117.0-157.2 154.2 25.5 16.8 20.8 156 156 A E E -E 99 0B 109 -2,-0.3 2,-0.4 -57,-0.2 -57,-0.2 -0.779 26.8-142.7 -88.4 138.6 28.7 15.8 22.5 157 157 A I E -E 98 0B 46 -59,-2.6 -59,-0.8 -2,-0.4 3,-0.3 -0.879 7.9-157.9-102.6 134.5 29.8 12.2 21.8 158 158 A D S S+ 0 0 120 -2,-0.4 -1,-0.1 1,-0.2 -60,-0.0 0.954 82.0 31.7 -80.2 -55.0 31.4 10.5 24.8 159 159 A G S S+ 0 0 69 -62,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.012 79.8 148.0 -97.0 28.5 33.6 7.7 23.5 160 160 A F + 0 0 45 -3,-0.3 2,-0.3 -62,-0.1 -64,-0.1 -0.449 16.4 170.7 -71.5 128.9 34.7 9.2 20.2 161 161 A T + 0 0 118 -2,-0.2 2,-0.3 -67,-0.1 -2,-0.0 -0.984 7.1 170.8-136.6 146.6 38.2 8.2 19.0 162 162 A F - 0 0 62 -2,-0.3 -114,-0.0 2,-0.0 -2,-0.0 -0.907 14.0-163.6-158.9 124.4 39.9 8.8 15.7 163 163 A E - 0 0 110 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.970 22.6-138.7-112.1 118.4 43.5 8.2 14.7 164 164 A P - 0 0 53 0, 0.0 -86,-0.1 0, 0.0 3,-0.0 -0.263 37.0 -73.9 -74.0 169.8 44.5 10.1 11.5 165 165 A V - 0 0 130 -88,-0.2 2,-0.4 1,-0.1 0, 0.0 -0.331 52.1-111.2 -61.5 134.2 46.7 8.6 8.8 166 166 A K - 0 0 187 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.608 39.4-148.5 -70.5 123.6 50.4 8.3 9.8 167 167 A K - 0 0 143 -2,-0.4 2,-0.3 -3,-0.0 -1,-0.0 -0.687 16.5-171.4-101.8 152.0 52.3 10.8 7.6 168 168 A N - 0 0 67 -2,-0.3 16,-0.2 2,-0.1 14,-0.0 -0.996 12.9-170.0-142.8 130.5 55.9 10.7 6.3 169 169 A G + 0 0 53 -2,-0.3 2,-0.1 13,-0.1 -1,-0.1 0.453 50.0 116.3 -99.0 -4.5 57.8 13.5 4.5 170 170 A A - 0 0 39 12,-0.1 13,-2.2 1,-0.0 14,-0.4 -0.428 44.6-167.5 -71.0 142.9 60.9 11.5 3.3 171 171 A K E -F 182 0C 109 11,-0.3 2,-0.3 12,-0.1 11,-0.2 -0.929 9.9-171.5-131.6 150.5 61.4 11.2 -0.5 172 172 A V E -F 181 0C 40 9,-2.4 9,-2.8 -2,-0.3 2,-0.3 -0.976 34.5-102.8-139.2 150.4 63.5 9.1 -2.8 173 173 A R E -F 180 0C 162 -2,-0.3 7,-0.2 7,-0.2 6,-0.2 -0.598 43.2-114.9 -73.0 128.4 64.2 9.2 -6.5 174 174 A C > - 0 0 5 5,-2.2 4,-1.5 -2,-0.3 20,-0.2 -0.466 17.9-132.5 -62.2 136.6 62.2 6.4 -8.2 175 175 A D T 4 S+ 0 0 99 18,-2.8 19,-0.1 2,-0.1 -1,-0.1 0.730 100.2 35.0 -64.7 -24.2 64.7 3.9 -9.8 176 176 A V T 4 S+ 0 0 89 17,-0.2 -1,-0.1 3,-0.1 18,-0.1 0.902 131.6 21.8 -96.7 -58.8 62.8 3.8 -13.2 177 177 A C T 4 S- 0 0 57 2,-0.1 -2,-0.1 18,-0.0 3,-0.1 0.596 89.8-134.0 -88.9 -14.2 61.5 7.4 -13.8 178 178 A G < + 0 0 32 -4,-1.5 2,-0.1 1,-0.2 -3,-0.1 0.340 56.4 139.1 78.9 -7.1 63.9 9.3 -11.5 179 179 A E - 0 0 132 -6,-0.2 -5,-2.2 1,-0.1 -1,-0.2 -0.469 64.4-102.2 -75.6 138.5 61.1 11.4 -10.0 180 180 A Y E -F 173 0C 152 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.464 45.0-170.7 -57.7 128.8 61.1 12.2 -6.2 181 181 A T E -F 172 0C 21 -9,-2.8 -9,-2.4 -2,-0.2 2,-0.1 -0.994 28.8-111.5-128.6 128.1 58.6 9.8 -4.7 182 182 A Y E > -F 171 0C 112 -2,-0.4 3,-1.9 -11,-0.2 4,-0.4 -0.457 27.1-131.9 -58.0 125.9 57.4 10.0 -1.0 183 183 A E G > S+ 0 0 98 -13,-2.2 3,-1.2 1,-0.3 -1,-0.1 0.801 103.0 68.1 -48.9 -40.0 58.8 6.8 0.7 184 184 A A G 3 S+ 0 0 65 -14,-0.4 -1,-0.3 1,-0.2 -13,-0.1 0.779 109.6 35.9 -53.2 -28.7 55.4 6.1 2.2 185 185 A D G < S+ 0 0 76 -3,-1.9 11,-0.4 2,-0.1 -1,-0.2 0.375 92.6 112.5-107.1 0.1 54.1 5.3 -1.4 186 186 A A < - 0 0 29 -3,-1.2 2,-0.3 -4,-0.4 9,-0.2 -0.463 55.1-144.9 -78.2 144.9 57.2 3.7 -2.9 187 187 A K E -G 194 0D 63 7,-3.4 7,-2.8 -2,-0.1 2,-0.5 -0.765 14.2-125.4-101.6 155.0 57.2 0.0 -3.9 188 188 A L E -G 193 0D 129 -2,-0.3 2,-0.5 5,-0.2 7,-0.0 -0.920 24.6-178.9-103.6 127.0 60.2 -2.2 -3.5 189 189 A L E > S-G 192 0D 76 3,-2.3 3,-1.0 -2,-0.5 -2,-0.0 -0.923 79.4 -29.7-127.2 100.2 61.3 -4.1 -6.6 190 190 A N T 3 S- 0 0 157 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.938 126.2 -47.4 53.5 51.0 64.3 -6.2 -5.9 191 191 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.489 116.3 109.2 73.7 6.3 65.5 -3.8 -3.2 192 192 A K E < S-G 189 0D 88 -3,-1.0 -3,-2.3 2,-0.0 2,-0.4 -0.923 72.5-115.0-114.9 139.9 65.1 -0.6 -5.2 193 193 A P E +G 188 0D 42 0, 0.0 -18,-2.8 0, 0.0 2,-0.4 -0.605 39.4 175.9 -75.7 128.8 62.4 2.1 -4.6 194 194 A V E -G 187 0D 2 -7,-2.8 -7,-3.4 -2,-0.4 -20,-0.1 -0.994 30.1-117.2-134.5 135.7 60.0 2.3 -7.5 195 195 A C > - 0 0 15 -2,-0.4 4,-2.0 -9,-0.2 3,-0.4 -0.359 34.2-107.4 -70.5 156.2 56.9 4.5 -7.8 196 196 A K H > S+ 0 0 100 -11,-0.4 4,-3.1 1,-0.2 5,-0.4 0.897 116.4 54.1 -54.4 -50.8 53.5 2.7 -8.2 197 197 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.874 115.0 41.9 -52.4 -40.6 53.0 3.5 -11.9 198 198 A D H 4 S+ 0 0 54 -3,-0.4 -2,-0.2 3,-0.2 -3,-0.0 0.752 116.8 49.0 -77.0 -26.4 56.4 2.1 -12.8 199 199 A Y H < S+ 0 0 88 -4,-2.0 -3,-0.2 -3,-0.2 -1,-0.1 0.961 119.6 34.7 -73.6 -56.1 56.0 -0.9 -10.4 200 200 A Y H < 0 0 152 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.1 0.732 360.0 360.0 -73.4 -25.8 52.5 -1.9 -11.7 201 201 A G < 0 0 96 -4,-1.4 -3,-0.2 -5,-0.4 -5,-0.0 0.468 360.0 360.0-100.0 360.0 53.2 -0.9 -15.3