==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ADOMET BINDING PROTEIN 12-MAR-08 3CIW . COMPND 2 MOLECULE: FEFE-HYDROGENASE MATURASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.NICOLET,J.K.RUBACK,M.C.POSEWITZ,P.AMARA,C.MATHEVON,M.ATTA, . 348 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.9 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 0 0 2 1 0 3 0 2 0 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 1 0 1 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 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 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 M 0 0 87 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 158.7 63.9 -18.1 -4.6 2 2 A T > - 0 0 95 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.292 360.0-107.8 -69.8 163.4 65.4 -15.1 -6.2 3 3 A G H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 122.5 56.1 -56.8 -42.4 63.8 -11.7 -5.9 4 4 A R H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 107.8 48.5 -57.9 -41.9 62.8 -12.0 -9.6 5 5 A E H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 109.8 50.7 -66.6 -41.0 61.1 -15.2 -8.8 6 6 A I H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.937 110.3 50.8 -60.9 -45.9 59.2 -13.8 -5.8 7 7 A L H X S+ 0 0 27 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.914 108.8 51.5 -58.4 -42.5 58.0 -10.9 -7.9 8 8 A E H X S+ 0 0 64 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.907 110.0 48.7 -63.6 -39.7 56.8 -13.3 -10.6 9 9 A K H <>S+ 0 0 50 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.915 111.4 50.3 -66.3 -41.5 54.8 -15.3 -8.1 10 10 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.4 3,-0.2 -2,-0.2 0.923 109.4 51.1 -60.8 -42.3 53.3 -12.1 -6.7 11 11 A E H 3<5S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 112.4 46.4 -65.5 -31.5 52.3 -11.0 -10.2 12 12 A R T 3<5S- 0 0 116 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.344 115.9-119.6 -88.1 3.3 50.7 -14.4 -10.7 13 13 A R T < 5 + 0 0 92 -3,-1.4 2,-1.4 1,-0.2 -3,-0.2 0.833 58.1 154.1 58.4 37.4 49.0 -14.1 -7.3 14 14 A E < + 0 0 39 -5,-2.7 2,-1.7 -6,-0.1 -1,-0.2 -0.717 19.8 179.9 -87.4 79.8 50.6 -17.2 -5.9 15 15 A F + 0 0 36 -2,-1.4 2,-0.1 -3,-0.1 -1,-0.1 -0.434 13.5 159.1 -89.4 63.5 50.2 -15.8 -2.3 16 16 A T > - 0 0 63 -2,-1.7 4,-2.5 1,-0.1 5,-0.2 -0.440 55.3-114.4 -82.4 157.0 51.8 -18.6 -0.4 17 17 A R H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.908 119.8 53.8 -51.8 -41.7 53.2 -18.2 3.1 18 18 A E H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 108.2 47.4 -64.3 -43.0 56.6 -19.0 1.6 19 19 A V H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.950 114.0 47.6 -64.5 -44.9 56.3 -16.2 -1.1 20 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.913 111.7 50.4 -64.2 -41.9 55.1 -13.6 1.5 21 21 A K H X S+ 0 0 76 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.918 112.2 46.9 -62.5 -42.6 57.9 -14.6 3.9 22 22 A E H X S+ 0 0 77 -4,-2.3 4,-2.5 2,-0.2 3,-0.4 0.933 108.9 54.5 -66.9 -42.3 60.6 -14.3 1.2 23 23 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.897 113.8 42.4 -55.2 -41.3 59.2 -10.9 0.1 24 24 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.715 115.4 50.0 -78.9 -19.2 59.5 -9.6 3.6 25 25 A S H < S+ 0 0 47 -4,-1.4 2,-0.3 -3,-0.4 -2,-0.2 0.796 87.6 90.3 -92.7 -31.3 62.9 -11.1 4.2 26 26 A I < - 0 0 29 -4,-2.5 -24,-0.0 -5,-0.1 -4,-0.0 -0.511 49.3-176.7 -67.1 129.0 64.7 -9.9 1.1 27 27 A N + 0 0 136 -2,-0.3 -1,-0.1 4,-0.0 2,-0.1 0.273 33.9 134.2-110.9 8.2 66.4 -6.6 1.7 28 28 A D > - 0 0 100 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.388 54.4-140.0 -62.8 131.4 67.7 -6.0 -1.9 29 29 A R H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 101.6 52.0 -61.4 -45.4 67.0 -2.5 -3.1 30 30 A G H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 111.5 46.8 -56.1 -48.0 66.1 -3.7 -6.6 31 31 A F H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.940 112.8 48.8 -59.6 -49.9 63.6 -6.1 -5.3 32 32 A N H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 110.9 50.0 -59.5 -44.2 62.1 -3.6 -2.9 33 33 A E H X S+ 0 0 121 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.897 111.4 48.8 -64.0 -38.2 61.7 -1.0 -5.6 34 34 A A H X S+ 0 0 34 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.889 110.0 51.8 -66.9 -41.1 60.1 -3.5 -7.9 35 35 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 111.4 47.2 -57.7 -47.3 57.7 -4.6 -5.2 36 36 A F H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.899 111.5 51.0 -64.2 -41.0 56.7 -0.9 -4.6 37 37 A K H X S+ 0 0 87 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.908 109.9 50.6 -60.6 -42.8 56.2 -0.3 -8.3 38 38 A L H X S+ 0 0 21 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.938 112.1 45.7 -61.2 -48.7 54.0 -3.4 -8.5 39 39 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.903 112.0 52.3 -62.7 -39.0 51.9 -2.2 -5.6 40 40 A D H X S+ 0 0 33 -4,-2.5 4,-2.5 244,-0.2 -1,-0.2 0.912 111.5 47.1 -61.8 -41.7 51.7 1.3 -7.1 41 41 A E H X S+ 0 0 95 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.910 111.5 49.3 -69.4 -42.0 50.5 -0.1 -10.4 42 42 A I H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.922 110.6 51.8 -61.9 -44.9 47.9 -2.4 -8.8 43 43 A R H X>S+ 0 0 12 -4,-2.7 4,-2.7 -5,-0.2 5,-0.9 0.958 111.1 47.3 -54.7 -52.3 46.6 0.6 -6.8 44 44 A R H X5S+ 0 0 140 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.941 114.4 46.8 -56.8 -45.8 46.3 2.7 -10.0 45 45 A K H <5S+ 0 0 146 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 123.6 29.7 -65.1 -40.2 44.6 -0.1 -11.9 46 46 A Y H <5S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.834 136.6 18.3 -93.8 -38.2 42.0 -1.0 -9.2 47 47 A V H <5S- 0 0 32 -4,-2.7 3,-0.4 -5,-0.4 -3,-0.2 0.440 94.7-146.4-118.1 0.4 41.4 2.1 -7.2 48 48 A G << - 0 0 26 -4,-1.1 -1,-0.2 -5,-0.9 -2,-0.1 -0.129 40.7 -51.4 70.0-164.9 42.6 4.8 -9.6 49 49 A D S S+ 0 0 44 -5,-0.1 284,-2.2 -4,-0.1 2,-0.3 0.436 93.3 114.3 -95.1 -3.6 44.3 8.2 -8.9 50 50 A E E -a 333 0A 63 -3,-0.4 2,-0.6 282,-0.2 285,-0.1 -0.528 51.3-156.7 -70.2 131.7 41.8 9.5 -6.4 51 51 A V E -a 334 0A 0 282,-2.7 284,-1.4 -2,-0.3 2,-0.4 -0.961 16.6-138.4-108.4 116.7 43.1 9.9 -2.9 52 52 A H E -b 289 0B 12 236,-2.1 238,-2.6 -2,-0.6 2,-0.6 -0.656 9.2-144.1 -83.4 131.6 40.3 9.9 -0.4 53 53 A I E -b 290 0B 23 -2,-0.4 49,-0.7 236,-0.2 50,-0.7 -0.835 14.6-174.0 -99.9 122.4 40.4 12.4 2.4 54 54 A R E -d 103 0C 14 236,-2.6 2,-0.5 -2,-0.6 50,-0.2 -0.959 17.5-145.8-115.1 109.1 39.1 11.2 5.8 55 55 A A E -d 104 0C 0 48,-2.3 50,-3.0 -2,-0.6 2,-0.5 -0.705 17.1-151.8 -79.2 120.8 39.0 14.1 8.3 56 56 A I E -de 105 293C 9 236,-2.1 238,-3.1 -2,-0.5 2,-0.6 -0.819 14.5-169.7-102.7 128.5 39.8 12.7 11.8 57 57 A I E -d 106 0C 0 48,-3.0 50,-2.3 -2,-0.5 2,-1.1 -0.970 9.2-159.1-113.6 113.8 38.5 14.3 15.0 58 58 A E E +d 107 0C 21 -2,-0.6 50,-0.2 48,-0.2 3,-0.1 -0.795 19.6 177.0 -92.7 92.6 40.2 12.7 18.0 59 59 A F E + 0 0 1 48,-1.7 25,-3.1 -2,-1.1 2,-0.3 0.581 56.1 17.9 -90.1 -11.9 37.5 13.8 20.4 60 60 A S E -dF 108 83C 0 47,-0.6 49,-1.7 23,-0.2 23,-0.2 -0.946 45.1-165.5-155.6 136.3 38.6 12.3 23.7 61 61 A N + 0 0 0 21,-1.5 2,-0.3 -2,-0.3 22,-0.1 0.176 56.0 119.7-106.0 17.9 41.9 10.9 25.0 62 62 A V + 0 0 29 20,-0.5 2,-0.4 47,-0.2 47,-0.1 -0.621 41.3 179.8 -76.8 133.1 40.3 9.2 28.0 63 63 A C - 0 0 21 -2,-0.3 48,-0.2 46,-0.2 -2,-0.0 -0.992 33.3-164.3-142.0 139.2 40.8 5.5 28.0 64 64 A R S S+ 0 0 99 46,-1.7 2,-0.1 -2,-0.4 47,-0.1 0.564 73.4 81.0 -87.7 -15.8 39.9 2.6 30.2 65 65 A K - 0 0 19 45,-0.1 9,-2.7 7,-0.1 10,-0.1 -0.455 66.0-147.4 -93.3 170.9 42.4 0.2 28.6 66 66 A N + 0 0 13 7,-0.3 7,-0.1 -2,-0.1 -1,-0.0 -0.168 22.2 176.4-133.3 37.5 46.1 -0.2 29.4 67 67 A C > - 0 0 12 1,-0.2 3,-0.9 105,-0.1 105,-0.2 -0.181 31.9-133.1 -52.8 133.2 47.7 -1.2 26.0 68 68 A L T 3 S+ 0 0 40 103,-3.0 170,-0.9 1,-0.2 -1,-0.2 0.749 100.3 46.6 -66.5 -24.8 51.4 -1.4 26.6 69 69 A Y T 3 S+ 0 0 4 102,-0.4 2,-0.4 168,-0.1 -1,-0.2 0.612 93.9 94.3 -87.9 -15.7 52.3 0.6 23.4 70 70 A C X - 0 0 14 -3,-0.9 3,-1.8 1,-0.1 236,-0.2 -0.689 60.2-151.6-101.4 129.5 49.9 3.4 23.8 71 71 A G T 3 S+ 0 0 0 234,-2.3 234,-0.2 -2,-0.4 -1,-0.1 0.684 99.3 59.4 -62.9 -18.9 50.4 6.9 25.3 72 72 A L T 3 S+ 0 0 2 233,-0.1 -1,-0.3 -10,-0.1 -9,-0.2 0.434 75.3 136.2 -88.4 -0.1 46.7 7.1 26.2 73 73 A R X - 0 0 20 -3,-1.8 3,-2.2 -6,-0.2 -7,-0.3 -0.104 67.5-115.5 -50.1 144.4 46.9 3.9 28.4 74 74 A R T 3 S+ 0 0 110 -9,-2.7 -8,-0.1 1,-0.3 -1,-0.1 0.802 111.2 61.4 -60.3 -29.5 45.0 4.4 31.6 75 75 A D T 3 S+ 0 0 94 -10,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.573 76.8 104.4 -73.6 -7.7 48.2 4.1 33.8 76 76 A N < + 0 0 6 -3,-2.2 3,-0.2 1,-0.2 -1,-0.1 -0.629 38.9 169.7 -80.1 100.8 49.7 7.2 32.1 77 77 A K + 0 0 190 -2,-1.2 2,-0.9 1,-0.2 -1,-0.2 0.624 62.9 80.5 -80.7 -12.7 49.3 9.9 34.7 78 78 A N S S+ 0 0 122 157,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.223 78.8 85.3 -91.5 44.5 51.6 12.3 32.7 79 79 A L S S- 0 0 19 -2,-0.9 2,-0.5 -3,-0.2 223,-0.1 -0.960 75.3-128.9-149.8 126.1 48.8 13.3 30.3 80 80 A K - 0 0 77 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.641 32.0-143.1 -71.4 121.5 46.2 16.0 30.5 81 81 A R - 0 0 75 -2,-0.5 2,-0.3 -21,-0.0 222,-0.1 -0.648 22.5-178.5 -88.7 144.6 42.9 14.2 29.7 82 82 A Y - 0 0 14 -2,-0.3 -21,-1.5 220,-0.1 -20,-0.5 -0.971 18.5-162.3-139.5 159.6 40.2 16.0 27.7 83 83 A R B -F 60 0C 115 -2,-0.3 -23,-0.2 -23,-0.2 2,-0.2 -0.959 17.3-140.5-142.0 120.0 36.8 15.5 26.3 84 84 A M - 0 0 2 -25,-3.1 -25,-0.0 -2,-0.3 -2,-0.0 -0.563 29.4-114.8 -71.3 144.9 35.2 17.5 23.5 85 85 A T > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.407 24.6-111.3 -76.0 157.5 31.5 18.3 24.1 86 86 A P H > S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 120.6 51.6 -57.3 -37.9 29.0 16.8 21.6 87 87 A E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 109.3 49.9 -63.8 -43.7 28.3 20.3 20.3 88 88 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 112.0 48.5 -59.5 -41.9 32.0 21.0 19.8 89 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 112.8 46.8 -66.8 -47.0 32.4 17.6 17.9 90 90 A V H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 115.2 45.5 -62.1 -43.4 29.4 18.3 15.7 91 91 A E H X S+ 0 0 99 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.876 111.5 52.2 -71.8 -32.5 30.5 21.8 14.8 92 92 A R H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.912 110.3 48.8 -67.6 -41.0 34.0 20.7 14.2 93 93 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.912 108.5 54.5 -58.6 -45.3 32.7 18.0 11.8 94 94 A R H X S+ 0 0 84 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.913 106.3 51.5 -58.6 -42.6 30.6 20.7 10.1 95 95 A L H X S+ 0 0 50 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.912 108.7 51.3 -61.8 -41.6 33.8 22.8 9.6 96 96 A A H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 -2,-0.2 0.930 110.1 48.5 -61.0 -42.4 35.5 19.8 8.0 97 97 A V H ><5S+ 0 0 37 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.907 108.2 54.3 -64.5 -38.4 32.5 19.3 5.7 98 98 A Q H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.3 53.7 -60.7 -31.0 32.7 23.0 4.8 99 99 A F T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.400 131.3 -94.8 -84.6 0.3 36.4 22.4 4.0 100 100 A G T < 5 + 0 0 30 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.443 68.8 155.3 103.0 3.4 35.4 19.6 1.6 101 101 A A < - 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -47,-0.1 -0.459 21.2-173.7 -64.7 131.6 35.7 16.5 3.8 102 102 A K S S+ 0 0 81 -49,-0.7 30,-2.5 1,-0.2 2,-0.4 0.520 73.0 41.7-104.7 -9.0 33.5 13.7 2.4 103 103 A T E -dg 54 132C 0 -50,-0.7 -48,-2.3 28,-0.2 2,-0.5 -0.996 67.7-158.6-132.2 137.7 34.2 11.3 5.4 104 104 A I E -dg 55 133C 0 28,-2.6 30,-2.8 -2,-0.4 2,-0.5 -0.963 8.7-158.4-110.7 127.3 34.4 12.3 9.1 105 105 A V E -dg 56 134C 2 -50,-3.0 -48,-3.0 -2,-0.5 2,-0.6 -0.939 0.2-160.5-105.6 124.1 36.3 9.9 11.3 106 106 A L E +dg 57 135C 0 28,-2.7 30,-2.4 -2,-0.5 2,-0.4 -0.947 20.0 173.4-102.6 117.9 35.5 10.1 15.0 107 107 A Q E +dg 58 136C 17 -50,-2.3 -48,-1.7 -2,-0.6 -47,-0.6 -0.962 5.1 147.9-127.2 146.2 38.3 8.5 17.1 108 108 A S E -d 60 0C 0 28,-1.7 -47,-0.2 -2,-0.4 -45,-0.1 -0.977 48.5 -87.4-156.5 168.5 38.9 8.3 20.8 109 109 A G S S- 0 0 1 -49,-1.7 2,-2.1 -2,-0.3 -46,-0.2 -0.297 70.7 -78.2 -61.6 170.0 40.3 6.3 23.6 110 110 A E + 0 0 2 239,-0.1 -46,-1.7 -49,-0.1 -1,-0.1 -0.556 69.2 173.1 -76.9 83.7 37.9 3.8 25.0 111 111 A D > - 0 0 0 -2,-2.1 3,-0.9 -48,-0.2 4,-0.3 -0.845 24.8-158.8-100.8 106.4 36.1 6.5 27.0 112 112 A P G > S+ 0 0 68 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.723 76.5 81.6 -55.7 -25.9 32.9 5.2 28.6 113 113 A Y G 3 S+ 0 0 138 1,-0.3 5,-0.2 3,-0.1 -2,-0.0 0.854 97.0 38.1 -54.9 -41.7 31.3 8.7 29.0 114 114 A X G <>>S+ 0 0 3 -3,-0.9 5,-1.9 4,-0.1 4,-0.8 0.508 89.0 147.3 -84.7 -8.1 29.9 8.9 25.5 115 115 A M T <45 - 0 0 17 -3,-1.5 2,-0.0 -4,-0.3 29,-0.0 -0.708 69.0 -28.7-102.4 129.7 28.9 5.2 25.0 116 116 A P T >5S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 -0.986 131.9 41.4 -94.9 -16.6 26.6 4.5 23.4 117 117 A D H >5S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.829 110.3 51.1 -74.3 -36.1 24.0 7.3 23.3 118 118 A V H X5S+ 0 0 29 -4,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.938 111.6 50.3 -66.2 -41.9 26.1 10.4 23.0 119 119 A I H ><>S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 5,-0.5 0.895 104.8 59.8 -70.9 -37.7 26.9 14.6 11.2 127 127 A K H ><5S+ 0 0 47 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.817 92.3 68.2 -60.4 -27.5 25.0 12.3 8.9 128 128 A K T 3<5S+ 0 0 150 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.731 88.8 67.6 -59.9 -21.0 22.6 15.2 8.2 129 129 A M T < 5S- 0 0 37 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.444 113.9-115.6 -81.7 -6.3 25.6 16.9 6.4 130 130 A G T < 5S+ 0 0 46 -3,-1.9 2,-0.3 1,-0.3 -3,-0.1 0.782 73.8 117.0 77.3 32.7 25.6 14.3 3.7 131 131 A V < - 0 0 6 -5,-0.5 -1,-0.3 -4,-0.1 2,-0.2 -0.756 69.3 -95.0-123.6 165.2 29.0 12.7 4.4 132 132 A A E -g 103 0C 0 -30,-2.5 -28,-2.6 -2,-0.3 2,-0.5 -0.595 33.9-148.5 -76.8 145.1 30.2 9.3 5.4 133 133 A V E -g 104 0C 0 19,-0.3 21,-2.7 -2,-0.2 22,-1.8 -0.984 12.6-173.1-119.1 126.3 30.8 8.7 9.1 134 134 A T E -gh 105 155C 4 -30,-2.8 -28,-2.7 -2,-0.5 2,-0.4 -0.962 8.6-154.7-116.4 134.4 33.6 6.3 10.3 135 135 A L E +gh 106 156C 0 20,-2.4 22,-2.6 -2,-0.4 -28,-0.2 -0.862 17.5 176.6-109.0 145.0 34.0 5.4 14.0 136 136 A S E +g 107 0C 4 -30,-2.4 -28,-1.7 -2,-0.4 22,-0.1 -0.650 32.4 132.8-143.6 77.5 37.2 4.3 15.7 137 137 A L - 0 0 0 1,-0.4 2,-0.2 -30,-0.2 -26,-0.1 0.316 58.5-123.1-114.9 3.3 36.2 3.9 19.3 138 138 A G - 0 0 0 19,-0.5 2,-0.5 -28,-0.1 -1,-0.4 -0.533 60.1 -8.9 88.5-154.9 37.7 0.5 20.2 139 139 A E + 0 0 10 -2,-0.2 41,-0.1 210,-0.1 40,-0.0 -0.743 68.3 151.8 -91.9 123.2 36.0 -2.6 21.6 140 140 A W - 0 0 12 -2,-0.5 5,-0.1 1,-0.0 -2,-0.0 -0.912 48.8 -73.7-142.5 164.0 32.4 -2.3 22.8 141 141 A P >> - 0 0 68 0, 0.0 4,-1.8 0, 0.0 3,-1.5 -0.242 43.5-111.9 -59.5 151.0 29.3 -4.6 23.0 142 142 A R H 3> S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.861 117.5 62.0 -47.5 -41.9 27.5 -5.7 19.9 143 143 A E H 3> S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.848 102.7 49.0 -58.6 -34.2 24.5 -3.6 21.1 144 144 A Y H <> S+ 0 0 60 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.942 111.5 48.5 -71.3 -46.3 26.6 -0.4 21.0 145 145 A Y H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.884 111.8 51.3 -58.7 -38.7 27.8 -1.2 17.5 146 146 A E H X S+ 0 0 67 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.928 109.4 49.3 -62.9 -46.4 24.2 -1.9 16.5 147 147 A K H X S+ 0 0 90 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.901 111.0 49.8 -61.8 -39.8 23.0 1.4 17.9 148 148 A W H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.5 0.863 110.0 50.4 -69.9 -33.4 25.7 3.3 16.0 149 149 A K H ><5S+ 0 0 70 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.935 111.0 48.9 -68.0 -45.4 24.9 1.5 12.7 150 150 A E H 3<5S+ 0 0 161 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.862 105.3 58.9 -60.9 -33.1 21.2 2.4 13.2 151 151 A A T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.653 130.4 -95.3 -70.1 -16.7 22.3 6.0 14.0 152 152 A G T < 5 + 0 0 23 -3,-1.3 -19,-0.3 -4,-0.5 -3,-0.2 0.413 66.4 157.7 118.5 3.7 23.9 6.1 10.5 153 153 A A < - 0 0 0 -5,-2.4 -1,-0.3 1,-0.1 -19,-0.2 -0.330 19.7-169.0 -59.6 139.0 27.6 5.2 10.9 154 154 A D + 0 0 41 -21,-2.7 39,-2.3 1,-0.2 2,-0.3 0.787 60.3 18.8 -97.5 -38.6 29.0 3.8 7.7 155 155 A R E -hi 134 193C 7 -22,-1.8 -20,-2.4 37,-0.2 2,-0.4 -0.919 55.1-155.7-138.5 158.7 32.4 2.4 8.7 156 156 A Y E -hi 135 194C 0 37,-2.3 39,-2.7 -2,-0.3 2,-0.5 -0.990 7.9-152.5-141.9 129.0 34.4 1.3 11.7 157 157 A L E + i 0 195C 34 -22,-2.6 -19,-0.5 -2,-0.4 2,-0.2 -0.911 26.8 155.3-100.2 123.5 38.2 1.1 12.1 158 158 A L - 0 0 0 37,-3.0 39,-0.2 -2,-0.5 26,-0.1 -0.689 30.2-150.4-147.3 82.6 39.4 -1.5 14.6 159 159 A R - 0 0 46 37,-0.3 39,-0.2 -2,-0.2 37,-0.1 -0.309 12.1-140.0 -56.2 139.9 43.0 -2.5 13.8 160 160 A H - 0 0 0 37,-1.0 2,-2.5 1,-0.2 38,-0.2 0.647 26.1-158.1 -76.7 -14.3 43.7 -6.1 14.8 161 161 A E B +l 198 0D 1 36,-2.1 38,-1.8 2,-0.1 2,-0.3 -0.317 66.5 1.1 78.3 -59.4 47.1 -4.9 16.0 162 162 A T - 0 0 1 -2,-2.5 6,-0.1 36,-0.2 48,-0.1 -0.897 56.7-148.7-158.2 134.7 48.8 -8.2 15.8 163 163 A A S S+ 0 0 13 -2,-0.3 3,-0.1 46,-0.3 -2,-0.1 0.424 74.3 100.3 -85.6 -1.6 47.4 -11.6 14.7 164 164 A N > - 0 0 43 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.782 64.3-156.0 -83.7 111.8 49.7 -13.5 17.1 165 165 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 12,-0.3 0.809 89.3 51.0 -64.0 -29.8 47.4 -14.2 20.1 166 166 A V H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.945 114.3 42.2 -70.4 -46.5 50.1 -14.6 22.6 167 167 A L H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 112.9 55.9 -64.7 -38.4 51.8 -11.2 21.7 168 168 A H H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.928 108.1 46.8 -60.9 -47.1 48.3 -9.6 21.5 169 169 A R H < S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.2 50.5 -67.8 -37.1 47.4 -10.6 25.0 170 170 A K H < S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.892 117.0 39.4 -62.5 -44.7 50.7 -9.4 26.4 171 171 A L H < S+ 0 0 8 -4,-2.4 -103,-3.0 1,-0.2 -102,-0.4 0.725 124.8 38.1 -78.5 -22.3 50.5 -6.0 24.7 172 172 A R >< + 0 0 1 -4,-1.9 3,-2.0 -105,-0.2 -1,-0.2 -0.698 70.0 174.4-132.0 72.9 46.7 -5.6 25.4 173 173 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.561 72.2 61.7 -69.5 -8.7 46.2 -7.1 28.8 174 174 A D T 3 S+ 0 0 62 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.527 117.8 4.1 -86.3 -10.0 42.6 -6.1 29.1 175 175 A T S < S- 0 0 3 -3,-2.0 2,-0.3 -6,-0.2 -3,-0.1 -0.584 70.0-118.1-153.7-154.6 41.5 -8.2 26.2 176 176 A S > - 0 0 24 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.982 31.3-105.2-162.0 161.0 42.6 -10.7 23.5 177 177 A F H > S+ 0 0 30 -12,-0.3 4,-3.3 -2,-0.3 5,-0.3 0.886 120.5 58.2 -60.9 -40.7 42.9 -11.3 19.8 178 178 A E H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 108.8 44.7 -55.5 -46.2 39.9 -13.6 20.1 179 179 A N H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.924 113.0 51.2 -61.3 -47.4 37.9 -10.6 21.4 180 180 A R H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 112.3 45.7 -59.2 -46.6 39.4 -8.3 18.7 181 181 A L H X S+ 0 0 32 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.909 110.0 54.2 -62.4 -43.2 38.5 -10.7 15.9 182 182 A N H X S+ 0 0 78 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.915 108.4 50.2 -60.0 -40.2 35.0 -11.2 17.4 183 183 A X H X S+ 0 0 24 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.951 111.3 48.1 -58.3 -48.5 34.5 -7.4 17.3 184 184 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 112.2 48.6 -61.2 -42.8 35.6 -7.2 13.7 185 185 A L H X S+ 0 0 76 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.888 111.9 49.9 -63.9 -38.4 33.3 -10.1 12.6 186 186 A T H X S+ 0 0 24 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.917 109.0 51.6 -64.8 -45.4 30.4 -8.4 14.4 187 187 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.4 0.934 112.0 46.7 -58.3 -44.5 31.1 -5.1 12.7 188 188 A K H ><5S+ 0 0 75 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.926 110.1 52.7 -64.5 -42.1 31.1 -6.8 9.3 189 189 A E H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 105.2 56.1 -61.8 -34.3 27.9 -8.8 10.1 190 190 A L T 3<5S- 0 0 40 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.543 122.8-105.1 -77.0 -7.9 26.2 -5.5 11.0 191 191 A G T < 5 + 0 0 51 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.543 69.1 145.7 97.4 8.6 27.0 -4.0 7.6 192 192 A Y < - 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