==== 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 METAL BINDING PROTEIN 26-APR-06 2CLB . COMPND 2 MOLECULE: DPS-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR G.H.GAUSS,P.BENAS,B.WIEDENHEFT,M.YOUNG,T.DOUGLAS, C.M.LAWREN . 1347 8 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1060 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 . 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 . 45 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 858 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 6 0 2 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 9 8 8 0 0 2 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 6 A Q 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.9 92.9 159.5 188.7 2 7 A E - 0 0 174 499,-0.0 2,-0.1 1,-0.0 499,-0.0 -0.811 360.0-121.7 -84.5 127.7 89.5 159.1 190.3 3 8 A P - 0 0 40 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.368 9.7-113.8 -82.3 151.5 87.3 161.6 188.5 4 9 A K - 0 0 99 -2,-0.1 2,-0.6 1,-0.0 0, 0.0 -0.703 28.6-167.5 -74.7 120.0 85.2 164.6 189.9 5 10 A V >> - 0 0 22 -2,-0.5 4,-1.9 1,-0.1 3,-1.3 -0.868 7.8-178.0-114.6 95.3 81.5 163.8 189.3 6 11 A V H 3> S+ 0 0 0 -2,-0.6 4,-2.2 1,-0.3 5,-0.2 0.807 79.5 65.2 -68.0 -31.4 79.7 167.0 190.0 7 12 A G H 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.733 111.2 39.1 -60.0 -24.3 76.2 165.4 189.4 8 13 A V H X> S+ 0 0 18 -3,-1.3 4,-2.0 2,-0.1 3,-0.8 0.800 109.3 60.4 -89.6 -39.5 77.1 163.4 192.5 9 14 A E H 3X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.900 99.2 56.3 -55.7 -45.9 78.7 166.2 194.5 10 15 A I H 3< S+ 0 0 11 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.770 109.4 47.8 -59.7 -28.4 75.5 168.3 194.5 11 16 A L H X4>S+ 0 0 0 -3,-0.8 5,-1.5 -5,-0.2 3,-0.8 0.874 108.2 53.0 -76.4 -43.4 73.7 165.4 196.1 12 17 A E H ><5S+ 0 0 114 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.867 101.7 61.0 -61.0 -38.5 76.4 164.9 198.8 13 18 A K T 3<5S+ 0 0 172 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 98.8 57.2 -57.1 -30.6 76.1 168.6 199.7 14 19 A S T < 5S- 0 0 49 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.537 120.3-110.6 -76.9 -8.8 72.5 167.9 200.6 15 20 A G T < 5 + 0 0 64 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.645 62.9 159.6 83.4 18.2 73.5 165.2 203.1 16 21 A L < - 0 0 13 -5,-1.5 2,-0.9 120,-0.1 -1,-0.3 -0.599 43.2-131.6 -77.3 127.7 72.1 162.5 200.9 17 22 A D > - 0 0 95 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.720 25.5-175.1 -79.0 105.3 73.4 159.0 201.6 18 23 A I H > S+ 0 0 23 -2,-0.9 4,-3.0 2,-0.2 5,-0.2 0.850 78.3 54.3 -77.8 -37.0 74.2 157.9 198.0 19 24 A K H > S+ 0 0 179 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 112.4 45.9 -61.8 -42.5 75.2 154.3 198.8 20 25 A K H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.869 113.6 49.3 -67.3 -38.9 71.9 153.8 200.6 21 26 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.940 110.8 48.6 -64.4 -49.6 70.0 155.5 197.8 22 27 A V H X S+ 0 0 19 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.891 109.0 54.6 -58.7 -40.7 71.7 153.3 195.1 23 28 A D H X S+ 0 0 91 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.904 110.9 44.9 -59.8 -42.3 71.0 150.2 197.1 24 29 A K H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.882 112.1 52.5 -67.6 -40.9 67.2 151.1 197.2 25 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.887 109.0 49.9 -60.4 -43.1 67.2 152.0 193.5 26 31 A V H X S+ 0 0 12 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.897 112.0 46.9 -63.8 -43.6 68.8 148.6 192.6 27 32 A K H X S+ 0 0 62 -4,-1.7 68,-2.7 2,-0.2 4,-1.4 0.881 116.0 45.3 -67.6 -38.5 66.2 146.6 194.7 28 33 A A H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.903 114.8 47.3 -69.0 -44.8 63.3 148.6 193.2 29 34 A T H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.795 107.3 57.8 -67.2 -31.9 64.7 148.3 189.7 30 35 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 102.5 54.5 -63.1 -41.5 65.3 144.6 190.2 31 36 A A H X S+ 0 0 6 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.803 104.6 54.9 -62.5 -31.6 61.5 144.2 191.0 32 37 A E H X S+ 0 0 4 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.891 107.7 48.9 -66.9 -41.1 60.7 145.9 187.6 33 38 A F H X S+ 0 0 2 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.860 112.7 46.1 -69.2 -37.5 62.8 143.3 185.8 34 39 A T H X S+ 0 0 8 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.860 108.1 58.1 -72.6 -37.2 61.2 140.4 187.5 35 40 A T H X S+ 0 0 16 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.934 101.8 55.3 -53.1 -48.8 57.8 141.9 186.9 36 41 A Y H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.835 114.8 39.8 -54.6 -37.2 58.6 141.9 183.2 37 42 A Y H X S+ 0 0 0 -4,-1.0 4,-1.2 -3,-0.2 3,-0.3 0.932 119.9 41.9 -76.0 -50.8 59.2 138.1 183.4 38 43 A Y H X S+ 0 0 3 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.861 110.1 55.7 -71.2 -38.2 56.4 137.2 185.8 39 44 A Y H X S+ 0 0 1 -4,-3.2 4,-2.4 -5,-0.3 -1,-0.2 0.757 100.5 62.7 -65.5 -25.6 53.7 139.4 184.2 40 45 A T H > S+ 0 0 0 -4,-0.4 4,-2.1 -5,-0.3 -1,-0.2 0.971 108.5 40.2 -57.8 -54.1 54.5 137.6 180.9 41 46 A I H X S+ 0 0 8 -4,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.915 114.8 51.9 -62.6 -45.8 53.3 134.3 182.5 42 47 A L H < S+ 0 0 0 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.891 110.7 48.6 -60.5 -41.1 50.4 135.9 184.3 43 48 A R H >< S+ 0 0 50 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.901 106.2 57.3 -63.6 -43.5 49.2 137.5 181.1 44 49 A X H 3< S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.830 107.1 49.6 -55.6 -34.8 49.5 134.2 179.2 45 50 A H T 3< S+ 0 0 35 -4,-1.4 2,-1.8 -3,-0.2 -1,-0.3 0.359 76.3 101.7 -96.2 4.4 47.1 132.5 181.7 46 51 A L < + 0 0 0 -3,-1.4 9,-0.3 -4,-0.2 -1,-0.1 -0.581 63.6 151.6 -80.7 74.9 44.3 135.2 181.6 47 52 A T > + 0 0 73 -2,-1.8 4,-1.5 7,-0.1 5,-0.1 -0.259 17.4 45.7-106.0-177.7 42.4 132.9 179.3 48 53 A G H > S- 0 0 53 3,-0.2 4,-0.7 2,-0.2 -2,-0.0 -0.156 101.3 -63.9 76.2-173.9 38.7 132.1 178.5 49 54 A X H 4 S+ 0 0 191 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.748 135.9 56.3 -82.3 -25.3 36.0 134.6 177.8 50 55 A E H 4 S+ 0 0 147 1,-0.2 3,-0.3 -3,-0.1 4,-0.2 0.922 114.8 36.6 -64.7 -47.3 36.4 135.9 181.3 51 56 A G H >X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 3,-0.6 0.543 91.4 92.0 -86.7 -9.1 40.1 136.7 181.0 52 57 A E G >< S+ 0 0 109 -4,-0.7 3,-0.7 1,-0.3 4,-0.5 0.904 91.1 40.1 -57.0 -51.3 40.2 137.9 177.4 53 58 A G G 34 S+ 0 0 42 -4,-0.4 4,-0.5 -3,-0.3 -1,-0.3 0.666 109.3 63.0 -73.0 -17.1 39.7 141.6 178.0 54 59 A L G <> S+ 0 0 28 -3,-0.6 4,-1.9 -4,-0.2 3,-0.3 0.737 86.4 73.6 -78.9 -25.8 42.0 141.5 181.0 55 60 A K H S+ 0 0 136 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.793 108.9 52.1 -67.6 -29.3 45.7 143.8 177.4 57 62 A I H > S+ 0 0 40 -4,-0.5 4,-1.6 -3,-0.3 -1,-0.2 0.885 112.9 44.5 -71.3 -40.8 45.5 145.6 180.8 58 63 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.820 112.1 54.7 -68.3 -32.9 48.1 143.2 182.2 59 64 A E H X S+ 0 0 36 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.932 106.1 50.5 -64.5 -48.7 50.1 143.7 179.0 60 65 A D H X S+ 0 0 77 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.886 111.7 47.6 -57.3 -44.6 50.2 147.5 179.4 61 66 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.929 111.3 52.1 -62.1 -45.4 51.4 147.1 183.0 62 67 A R H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.934 112.5 43.1 -57.1 -52.2 54.1 144.6 181.9 63 68 A L H X S+ 0 0 68 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.867 114.2 50.7 -66.7 -37.7 55.5 146.8 179.1 64 69 A E H X S+ 0 0 50 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.863 109.4 51.2 -67.4 -36.8 55.4 150.0 181.2 65 70 A D H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.826 106.0 55.1 -69.9 -32.8 57.3 148.2 184.1 66 71 A R H X S+ 0 0 32 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.875 108.1 49.0 -63.9 -38.5 59.9 147.0 181.6 67 72 A L H X S+ 0 0 92 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.794 105.2 58.1 -71.0 -28.6 60.4 150.7 180.7 68 73 A H H X S+ 0 0 4 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.900 106.0 50.3 -62.2 -41.7 60.7 151.5 184.4 69 74 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.930 112.5 45.6 -59.3 -49.3 63.6 149.1 184.5 70 75 A E H X S+ 0 0 40 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.890 113.4 51.7 -61.3 -41.7 65.3 150.7 181.6 71 76 A L H X S+ 0 0 47 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.946 115.5 36.7 -63.5 -51.9 64.7 154.2 183.0 72 77 A X H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.749 106.6 66.5 -81.4 -23.6 66.1 153.7 186.5 73 78 A T H X S+ 0 0 2 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.925 100.2 52.4 -59.1 -45.0 69.0 151.4 185.4 74 79 A Q H X S+ 0 0 49 -4,-1.3 4,-1.7 1,-0.2 3,-0.3 0.929 109.2 49.5 -54.2 -47.4 70.4 154.4 183.6 75 80 A R H X S+ 0 0 2 -4,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.819 103.9 59.5 -64.0 -34.9 70.2 156.5 186.8 76 81 A I H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 -1,-0.2 0.903 108.9 43.8 -59.8 -43.2 71.9 153.8 188.9 77 82 A Y H ><5S+ 0 0 7 -4,-1.6 3,-1.2 -3,-0.3 -2,-0.2 0.819 107.8 58.4 -74.6 -32.8 75.0 154.0 186.7 78 83 A E H 3<5S+ 0 0 8 -4,-1.7 -1,-0.2 427,-0.2 -2,-0.2 0.832 105.6 51.4 -60.8 -33.7 74.9 157.8 186.7 79 84 A L T 3<5S- 0 0 9 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.409 126.2-103.4 -84.2 1.1 75.2 157.6 190.5 80 85 A G T < 5S+ 0 0 55 -3,-1.2 -3,-0.2 1,-0.3 2,-0.1 0.621 85.4 115.1 86.1 14.5 78.2 155.3 190.2 81 86 A G < - 0 0 21 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.361 46.6-153.4 -98.6-174.5 76.3 152.1 191.1 82 87 A G - 0 0 32 -2,-0.1 3,-0.1 -3,-0.1 -56,-0.1 -0.968 22.2 -96.1-152.5 166.3 75.6 149.0 189.0 83 88 A L - 0 0 14 -2,-0.3 4,-0.1 1,-0.1 -57,-0.0 -0.509 61.1 -80.7 -76.6 155.9 73.2 146.1 188.5 84 89 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.317 34.2-128.0 -57.6 141.3 74.1 142.8 190.1 85 90 A R S S+ 0 0 140 -3,-0.1 2,-0.3 183,-0.1 184,-0.2 0.908 94.1 50.9 -53.6 -48.0 76.7 140.7 188.2 86 91 A D S > S- 0 0 20 1,-0.1 4,-1.4 182,-0.1 3,-0.1 -0.708 76.3-139.0 -98.8 144.3 74.4 137.6 188.3 87 92 A I H > S+ 0 0 7 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.794 105.8 58.2 -69.3 -28.7 70.8 137.5 187.2 88 93 A R H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 101.9 54.5 -69.2 -36.3 70.0 135.3 190.2 89 94 A Q H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 105.5 54.1 -58.5 -45.6 71.3 137.9 192.6 90 95 A L H X S+ 0 0 1 -4,-1.4 4,-0.7 1,-0.2 -2,-0.2 0.904 107.9 49.1 -54.0 -47.8 68.9 140.4 190.9 91 96 A A H >< S+ 0 0 4 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.910 112.0 49.2 -59.8 -43.9 66.0 138.1 191.7 92 97 A D H 3< S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.822 112.1 45.8 -68.4 -35.3 67.0 137.7 195.3 93 98 A I H 3< S+ 0 0 56 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.468 81.4 135.1 -89.8 -1.3 67.5 141.4 196.1 94 99 A S << - 0 0 16 -4,-0.7 -66,-0.2 -3,-0.6 -67,-0.1 -0.142 59.8-134.0 -45.8 135.1 64.2 142.3 194.4 95 100 A A S S+ 0 0 36 -68,-2.7 2,-0.3 -69,-0.1 -1,-0.1 0.793 86.8 55.4 -61.0 -29.7 62.2 144.8 196.5 96 101 A C S S- 0 0 17 -69,-0.3 3,-0.1 -68,-0.1 2,-0.1 -0.730 91.1-101.9-111.3 155.3 59.0 142.7 195.9 97 102 A S - 0 0 109 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.386 56.9 -84.4 -65.7 147.7 58.0 139.1 196.4 98 103 A D - 0 0 32 1,-0.1 2,-2.0 -2,-0.1 -1,-0.1 -0.364 34.7-133.3 -61.5 127.8 58.0 136.9 193.2 99 104 A A - 0 0 9 -2,-0.1 -57,-0.2 -3,-0.1 -1,-0.1 -0.439 38.5-177.7 -83.4 66.4 54.7 137.3 191.3 100 105 A Y - 0 0 62 -2,-2.0 154,-0.1 1,-0.1 153,-0.1 -0.261 36.2 -97.9 -67.7 149.9 54.2 133.5 190.8 101 106 A L - 0 0 35 152,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.515 48.6-121.6 -61.5 125.6 51.3 132.1 188.8 102 107 A P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.199 14.6-114.2 -70.3 169.7 48.7 131.1 191.4 103 108 A E T 3 S+ 0 0 202 1,-0.3 2,-0.9 2,-0.1 3,-0.2 0.926 114.3 42.6 -73.2 -46.8 47.4 127.5 191.8 104 109 A N T > S+ 0 0 92 1,-0.2 3,-1.4 2,-0.1 6,-0.3 -0.465 72.6 148.8 -94.9 59.0 43.8 128.2 190.7 105 110 A W T < + 0 0 65 -2,-0.9 6,-0.3 -3,-0.7 -1,-0.2 0.695 55.9 77.5 -68.7 -21.0 44.9 130.5 187.9 106 111 A K T 3 S+ 0 0 162 -3,-0.2 -1,-0.3 -60,-0.1 -55,-0.1 0.722 82.2 73.9 -64.2 -23.0 41.8 129.5 185.8 107 112 A D S X> S- 0 0 52 -3,-1.4 3,-1.5 1,-0.1 4,-0.8 -0.871 81.9-153.5 -81.8 112.0 39.9 131.8 188.1 108 113 A P H 3> S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.749 89.2 68.2 -64.7 -22.6 41.2 135.1 186.6 109 114 A K H 3> S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.789 94.1 58.0 -62.9 -29.6 40.6 136.9 190.0 110 115 A E H <> S+ 0 0 60 -3,-1.5 4,-1.4 -6,-0.3 -1,-0.2 0.892 108.7 44.9 -66.4 -40.2 43.4 134.8 191.4 111 116 A I H X S+ 0 0 0 -4,-0.8 4,-2.4 -6,-0.3 -2,-0.2 0.904 110.8 53.6 -67.5 -43.4 45.8 136.2 188.8 112 117 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.850 104.7 55.7 -61.2 -36.6 44.4 139.8 189.4 113 118 A K H X S+ 0 0 89 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.921 108.8 47.0 -59.9 -45.0 45.2 139.4 193.1 114 119 A V H X S+ 0 0 32 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.916 113.0 48.5 -64.7 -45.0 48.8 138.6 192.3 115 120 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 111.9 50.0 -58.1 -47.6 49.1 141.5 189.9 116 121 A L H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.914 109.8 49.4 -60.1 -46.4 47.5 143.8 192.5 117 122 A E H X S+ 0 0 137 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.886 110.5 51.4 -62.4 -39.4 49.9 142.7 195.3 118 123 A A H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.923 112.4 45.5 -62.5 -45.1 52.9 143.3 193.0 119 124 A E H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.892 109.8 54.4 -64.2 -42.3 51.7 146.8 192.1 120 125 A Q H X S+ 0 0 55 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.855 109.0 49.0 -61.9 -36.5 51.0 147.7 195.8 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2,-2.2 -2,-0.1 -1,-0.1 -0.395 34.7-133.7 -64.7 126.8 80.1 129.1 84.5 945 104 N A - 0 0 9 -2,-0.2 -57,-0.2 -3,-0.1 -1,-0.1 -0.404 38.0-177.6 -82.2 66.3 83.2 130.6 86.4 946 105 N Y - 0 0 60 -2,-2.2 -183,-0.1 1,-0.1 -184,-0.1 -0.245 36.3 -98.8 -66.6 149.6 84.6 132.3 83.3 947 106 N L - 0 0 37 -185,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.546 48.6-121.1 -61.9 124.7 87.9 134.2 83.4 948 107 N P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.208 14.5-114.3 -70.9 168.4 86.9 137.9 83.8 949 108 N E T 3 S+ 0 0 197 1,-0.3 2,-0.7 2,-0.1 3,-0.3 0.915 114.6 42.8 -72.1 -46.5 87.9 140.5 81.2 950 109 N N T > S+ 0 0 95 1,-0.2 3,-1.8 2,-0.1 6,-0.3 -0.361 72.9 148.1 -94.5 53.8 90.1 142.6 83.5 951 110 N W T < + 0 0 49 -3,-0.7 6,-0.3 -2,-0.7 -1,-0.2 0.704 56.1 77.0 -64.4 -22.2 91.7 139.4 85.0 952 111 N K T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 -60,-0.1 -55,-0.1 0.717 82.8 73.6 -63.7 -22.8 95.1 141.2 85.5 953 112 N D S X> S- 0 0 52 -3,-1.8 3,-1.5 1,-0.1 4,-0.9 -0.878 81.8-154.1 -82.7 111.0 93.3 142.8 88.5 954 113 N P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.743 88.6 68.6 -64.5 -22.9 93.3 139.8 90.9 955 114 N K H 3> S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.816 94.9 57.0 -62.1 -31.4 90.2 141.2 92.7 956 115 N E H <> S+ 0 0 59 -3,-1.5 4,-1.5 -6,-0.3 -1,-0.2 0.910 108.7 45.3 -63.4 -43.9 88.2 140.5 89.5 957 116 N I H X S+ 0 0 0 -4,-0.9 4,-2.3 -6,-0.3 -2,-0.2 0.910 111.3 52.9 -64.6 -43.6 89.3 136.8 89.7 958 117 N L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.845 104.6 56.2 -60.7 -37.0 88.5 136.7 93.4 959 118 N K H X S+ 0 0 87 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.908 108.8 46.4 -60.7 -44.0 85.0 138.0 92.7 960 119 N V H X S+ 0 0 31 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.910 113.6 48.3 -64.9 -45.5 84.4 135.1 90.3 961 120 N L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.914 112.3 49.9 -59.0 -45.0 85.7 132.6 92.8 962 121 N L H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.909 109.7 49.7 -62.9 -45.2 83.6 134.1 95.6 963 122 N E H X S+ 0 0 134 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.881 110.1 51.6 -61.6 -39.3 80.4 134.0 93.5 964 123 N A H X S+ 0 0 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110.2 104.5 984 143 N P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.854 82.2 50.5 -55.1 -41.4 71.9 110.0 106.9 985 144 N R H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.979 115.3 39.1 -63.5 -59.5 74.4 109.0 104.2 986 145 N T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 116.3 53.3 -60.9 -38.5 73.6 111.7 101.7 987 146 N Y H X S+ 0 0 85 -4,-2.6 4,-3.2 -8,-0.3 -1,-0.2 0.939 108.4 49.3 -61.6 -48.0 73.2 114.3 104.5 988 147 N D H X S+ 0 0 64 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.902 114.4 44.0 -58.7 -44.4 76.6 113.5 105.9 989 148 N L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.925 116.2 46.9 -68.1 -44.3 78.4 113.8 102.6 990 149 N A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.899 112.1 51.0 -63.4 -43.1 76.5 117.0 101.6 991 150 N Q H X S+ 0 0 53 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.911 109.6 50.9 -58.8 -46.3 77.2 118.4 105.1 992 151 N R H X S+ 0 0 114 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.902 113.9 43.9 -56.7 -46.3 80.9 117.6 104.7 993 152 N I H >X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 3,-0.8 0.954 111.9 52.0 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