==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-13 4JYF . COMPND 2 MOLECULE: FEFE-HYDROGENASE MATURASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.NICOLET,R.ROHAC,L.MARTIN,J.C.FONTECILLA-CAMPS . 348 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.1 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.3 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 3 1 0 1 2 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 . 1 1 0 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 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 84 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.8 63.3 -18.1 -4.4 2 2 A T > - 0 0 96 1,-0.1 4,-2.3 24,-0.0 5,-0.2 -0.364 360.0-106.1 -69.0 161.3 65.0 -15.2 -6.1 3 3 A G H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 120.9 55.3 -51.7 -47.3 63.4 -11.7 -6.0 4 4 A R H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 108.6 46.9 -58.4 -40.6 62.4 -12.1 -9.6 5 5 A E H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 110.1 52.3 -73.1 -36.2 60.5 -15.4 -9.0 6 6 A I H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.941 110.4 49.2 -61.0 -46.2 58.8 -14.0 -5.9 7 7 A L H X S+ 0 0 26 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.914 109.5 52.1 -57.0 -43.5 57.6 -11.0 -8.0 8 8 A E H X S+ 0 0 64 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.922 110.2 47.6 -62.4 -41.8 56.4 -13.4 -10.7 9 9 A K H <>S+ 0 0 57 -4,-2.3 5,-3.0 2,-0.2 4,-0.5 0.906 112.1 49.8 -66.5 -40.4 54.4 -15.5 -8.1 10 10 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.928 110.3 50.8 -59.8 -42.8 52.9 -12.3 -6.6 11 11 A E H 3<5S+ 0 0 132 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.825 113.8 44.4 -64.7 -31.6 51.9 -11.1 -10.2 12 12 A R T 3<5S- 0 0 112 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.425 116.9-118.4 -88.8 -3.3 50.3 -14.5 -10.7 13 13 A R T < 5 + 0 0 86 -3,-1.0 2,-1.3 -4,-0.5 -3,-0.2 0.863 57.8 154.4 66.7 41.0 48.7 -14.4 -7.3 14 14 A E < + 0 0 36 -5,-3.0 2,-1.8 -6,-0.1 -1,-0.2 -0.729 19.7 179.9 -92.6 78.2 50.3 -17.4 -5.8 15 15 A F + 0 0 37 -2,-1.3 2,-0.1 -3,-0.1 -1,-0.1 -0.451 14.4 157.6 -88.4 66.1 49.9 -16.0 -2.3 16 16 A T > - 0 0 62 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.467 56.1-114.8 -85.5 158.8 51.4 -18.7 -0.4 17 17 A R H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 119.8 54.9 -54.3 -39.6 52.9 -18.3 3.1 18 18 A E H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 107.5 47.2 -65.3 -40.7 56.2 -19.1 1.6 19 19 A V H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.945 114.4 47.2 -66.4 -45.3 55.9 -16.3 -1.1 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 111.4 50.8 -63.6 -42.5 54.8 -13.8 1.6 21 21 A K H X S+ 0 0 75 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.918 112.0 46.7 -62.6 -42.4 57.6 -14.7 4.0 22 22 A E H X S+ 0 0 77 -4,-2.1 4,-2.6 -5,-0.2 3,-0.3 0.927 109.2 54.6 -67.0 -42.1 60.2 -14.4 1.3 23 23 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.910 113.6 42.6 -54.1 -43.7 58.9 -11.0 0.1 24 24 A L H < S+ 0 0 3 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.731 116.1 49.0 -77.5 -19.4 59.2 -9.7 3.7 25 25 A S H < S+ 0 0 48 -4,-1.4 2,-0.3 -3,-0.3 -2,-0.2 0.791 87.8 89.7 -93.0 -33.0 62.6 -11.3 4.3 26 26 A I < - 0 0 28 -4,-2.6 -24,-0.0 1,-0.1 -4,-0.0 -0.513 50.5-175.2 -66.2 129.0 64.4 -10.2 1.1 27 27 A N + 0 0 136 -2,-0.3 -1,-0.1 4,-0.0 2,-0.1 0.312 33.8 134.9-109.6 6.8 66.1 -6.8 1.7 28 28 A D > - 0 0 98 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.336 53.3-140.5 -58.3 130.3 67.4 -6.2 -1.9 29 29 A R H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 101.4 51.2 -60.0 -45.9 66.8 -2.7 -3.1 30 30 A G H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 111.5 48.2 -61.5 -42.4 65.8 -3.8 -6.6 31 31 A F H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.936 112.0 48.6 -59.4 -51.6 63.4 -6.3 -5.3 32 32 A N H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 110.9 49.9 -58.0 -44.8 61.8 -3.7 -2.9 33 33 A E H X S+ 0 0 122 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.902 111.7 48.7 -65.0 -37.1 61.4 -1.1 -5.6 34 34 A A H X S+ 0 0 36 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.899 110.4 51.6 -65.2 -41.7 59.8 -3.7 -8.0 35 35 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 111.3 47.4 -60.0 -45.3 57.4 -4.7 -5.2 36 36 A F H X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 111.4 50.7 -65.5 -38.5 56.5 -1.0 -4.6 37 37 A K H X S+ 0 0 86 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.921 109.5 51.0 -64.5 -41.8 55.9 -0.5 -8.3 38 38 A L H X S+ 0 0 21 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.947 112.4 45.7 -61.9 -47.1 53.7 -3.6 -8.5 39 39 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.898 112.0 51.8 -63.5 -40.0 51.6 -2.3 -5.6 40 40 A D H X S+ 0 0 32 -4,-2.4 4,-2.4 244,-0.2 -1,-0.2 0.914 111.8 47.0 -62.7 -41.3 51.4 1.2 -7.0 41 41 A E H X S+ 0 0 91 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.918 111.1 50.2 -70.6 -41.2 50.2 -0.2 -10.4 42 42 A I H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.931 110.7 51.0 -61.6 -43.9 47.6 -2.5 -8.8 43 43 A R H X>S+ 0 0 11 -4,-2.7 4,-2.6 -5,-0.2 5,-1.0 0.960 111.3 47.5 -55.1 -52.7 46.4 0.5 -6.8 44 44 A R H X5S+ 0 0 138 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.925 114.9 46.0 -56.1 -46.1 46.1 2.6 -10.0 45 45 A K H <5S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 123.1 30.8 -66.9 -42.5 44.3 -0.2 -11.9 46 46 A Y H <5S+ 0 0 50 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.826 136.5 17.4 -90.5 -36.2 41.8 -1.2 -9.2 47 47 A V H <5S- 0 0 32 -4,-2.6 3,-0.4 -5,-0.4 -3,-0.2 0.442 95.2-145.5-121.7 -0.1 41.0 2.0 -7.2 48 48 A G << - 0 0 26 -4,-1.0 -1,-0.2 -5,-1.0 -2,-0.1 -0.144 40.4 -51.7 72.2-166.1 42.3 4.7 -9.6 49 49 A D S S+ 0 0 43 -5,-0.1 284,-2.1 -4,-0.1 2,-0.3 0.442 93.6 113.5 -95.8 -4.0 44.0 8.0 -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 51.5-156.9 -69.0 131.7 41.4 9.4 -6.4 51 51 A V E -a 334 0A 0 282,-2.8 284,-1.5 -2,-0.3 2,-0.4 -0.957 16.4-137.0-110.5 118.8 42.8 9.8 -2.9 52 52 A H E -b 289 0B 12 236,-2.2 238,-2.7 -2,-0.6 2,-0.5 -0.614 10.3-145.2 -83.9 130.6 40.0 9.7 -0.4 53 53 A I E -b 290 0B 21 -2,-0.4 49,-0.7 236,-0.2 50,-0.6 -0.846 14.3-174.6 -98.8 121.3 40.1 12.3 2.5 54 54 A R E -d 103 0C 14 236,-2.4 2,-0.5 -2,-0.5 50,-0.2 -0.969 18.3-144.0-113.9 112.9 38.7 11.2 5.8 55 55 A A E -d 104 0C 0 48,-2.3 50,-2.9 -2,-0.5 2,-0.5 -0.699 18.0-152.0 -79.6 120.7 38.7 14.1 8.4 56 56 A I E -de 105 293C 11 236,-2.0 238,-2.9 -2,-0.5 2,-0.6 -0.828 13.4-169.3-104.6 125.3 39.5 12.6 11.8 57 57 A I E -d 106 0C 0 48,-2.9 50,-2.5 -2,-0.5 2,-1.2 -0.966 9.3-158.6-111.3 114.6 38.2 14.2 15.0 58 58 A E E +d 107 0C 20 -2,-0.6 50,-0.2 48,-0.2 3,-0.1 -0.789 20.1 177.1 -92.1 90.0 39.9 12.7 18.1 59 59 A F E + 0 0 1 48,-1.6 25,-3.0 -2,-1.2 2,-0.3 0.591 56.5 15.4 -86.7 -13.0 37.2 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 45.3-164.2-156.2 139.8 38.3 12.3 23.8 61 61 A N + 0 0 0 21,-1.5 2,-0.3 -2,-0.3 22,-0.1 0.166 56.1 120.7-109.0 18.1 41.6 10.9 25.1 62 62 A V + 0 0 30 20,-0.5 2,-0.4 47,-0.2 47,-0.1 -0.616 40.8 179.8 -77.1 131.2 40.0 9.2 28.1 63 63 A C - 0 0 20 -2,-0.3 48,-0.2 46,-0.2 -2,-0.0 -0.988 33.6-165.4-140.7 139.8 40.5 5.4 28.1 64 64 A R S S+ 0 0 99 46,-1.6 2,-0.1 -2,-0.4 -1,-0.1 0.576 72.9 81.1 -88.3 -16.3 39.6 2.5 30.3 65 65 A K - 0 0 19 45,-0.1 9,-2.8 7,-0.1 10,-0.1 -0.411 66.0-146.9 -92.1 170.9 42.1 0.1 28.7 66 66 A N + 0 0 12 7,-0.3 7,-0.1 8,-0.1 -1,-0.0 -0.120 22.5 175.5-133.0 37.5 45.8 -0.3 29.4 67 67 A C > - 0 0 13 1,-0.2 3,-0.9 105,-0.1 105,-0.2 -0.146 31.9-133.9 -52.1 132.2 47.4 -1.3 26.1 68 68 A L T 3 S+ 0 0 39 103,-2.8 170,-0.9 1,-0.2 -1,-0.2 0.742 99.5 47.6 -67.3 -23.5 51.1 -1.4 26.7 69 69 A Y T 3 S+ 0 0 4 102,-0.4 2,-0.4 168,-0.1 -1,-0.2 0.620 93.8 94.5 -87.6 -17.0 52.1 0.5 23.5 70 70 A C X - 0 0 12 -3,-0.9 3,-1.8 1,-0.1 236,-0.2 -0.691 60.6-151.7 -99.9 128.6 49.6 3.4 23.8 71 71 A G T 3 S+ 0 0 0 234,-2.4 234,-0.2 -2,-0.4 -1,-0.1 0.678 99.1 58.7 -61.6 -20.7 50.1 6.8 25.3 72 72 A L T 3 S+ 0 0 2 233,-0.1 -1,-0.3 -10,-0.1 -9,-0.2 0.433 75.2 134.7 -87.4 -0.4 46.4 7.0 26.2 73 73 A R X - 0 0 20 -3,-1.8 3,-2.2 -6,-0.2 -7,-0.3 -0.139 68.6-114.2 -52.0 146.2 46.6 3.8 28.4 74 74 A R T 3 S+ 0 0 111 -9,-2.8 -8,-0.1 1,-0.3 -1,-0.1 0.770 111.6 61.7 -60.6 -28.1 44.8 4.3 31.7 75 75 A D T 3 S+ 0 0 93 -10,-0.1 2,-1.3 1,-0.1 -1,-0.3 0.574 76.4 103.5 -75.6 -8.8 47.9 4.0 33.8 76 76 A N < + 0 0 7 -3,-2.2 3,-0.3 1,-0.2 -1,-0.1 -0.625 39.4 169.4 -78.8 98.7 49.5 7.1 32.1 77 77 A K + 0 0 194 -2,-1.3 2,-0.5 1,-0.2 -1,-0.2 0.582 63.5 79.1 -79.6 -12.7 49.0 9.8 34.8 78 78 A N S S+ 0 0 123 157,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.196 79.1 87.2 -92.1 40.9 51.3 12.2 32.8 79 79 A L S S- 0 0 17 -2,-0.5 2,-0.5 -3,-0.3 223,-0.1 -0.968 74.5-131.0-145.1 125.2 48.6 13.2 30.4 80 80 A K - 0 0 79 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.643 31.1-142.8 -70.9 121.8 46.0 15.8 30.6 81 81 A R - 0 0 76 -2,-0.5 2,-0.3 -21,-0.0 222,-0.1 -0.670 22.0-178.6 -90.6 144.9 42.7 14.2 29.7 82 82 A Y - 0 0 14 -2,-0.3 -21,-1.5 220,-0.1 -20,-0.5 -0.957 17.6-162.9-139.4 158.5 40.0 16.0 27.7 83 83 A R B -F 60 0C 116 -2,-0.3 -23,-0.2 -23,-0.2 2,-0.2 -0.953 17.9-139.7-141.2 121.1 36.5 15.4 26.3 84 84 A M - 0 0 3 -25,-3.0 -25,-0.0 -2,-0.3 -2,-0.0 -0.535 29.6-114.7 -69.7 144.9 34.9 17.5 23.5 85 85 A T > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.420 25.1-110.0 -75.8 157.8 31.3 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 0.898 121.2 51.1 -54.7 -39.7 28.7 16.8 21.7 87 87 A E H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 109.3 50.1 -64.8 -41.7 28.0 20.3 20.3 88 88 A E H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 111.7 48.6 -61.9 -41.0 31.8 20.9 19.8 89 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 112.9 46.4 -67.9 -48.4 32.1 17.6 18.0 90 90 A V H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 115.6 45.6 -60.2 -43.5 29.1 18.2 15.7 91 91 A E H X S+ 0 0 100 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 111.3 52.2 -71.2 -33.7 30.2 21.7 14.8 92 92 A R H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.908 110.5 49.2 -64.8 -43.8 33.8 20.6 14.3 93 93 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.931 108.5 53.6 -56.0 -47.6 32.4 17.9 11.9 94 94 A R H X S+ 0 0 83 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.908 106.3 52.3 -57.7 -42.3 30.4 20.6 10.1 95 95 A L H X S+ 0 0 52 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.901 108.5 51.4 -60.7 -41.5 33.5 22.7 9.6 96 96 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 3,-0.2 0.929 109.7 48.2 -59.2 -45.2 35.2 19.7 8.1 97 97 A V H ><5S+ 0 0 37 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.911 108.5 54.9 -63.8 -40.3 32.2 19.2 5.7 98 98 A Q H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.3 52.9 -56.9 -31.7 32.4 23.0 4.8 99 99 A F T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.372 131.2 -96.2 -87.5 1.3 36.1 22.3 4.0 100 100 A G T < 5 + 0 0 28 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.471 67.8 155.4 101.4 5.0 35.1 19.5 1.6 101 101 A A < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 -47,-0.1 -0.478 22.2-171.6 -64.5 132.2 35.5 16.4 3.7 102 102 A K S S+ 0 0 76 -49,-0.7 30,-2.5 1,-0.2 2,-0.4 0.507 74.0 41.9-101.4 -11.2 33.2 13.6 2.4 103 103 A T E -dg 54 132C 1 -50,-0.6 -48,-2.3 28,-0.2 2,-0.5 -0.995 67.6-158.2-133.1 136.7 33.9 11.3 5.4 104 104 A I E -dg 55 133C 0 28,-2.5 30,-2.6 -2,-0.4 2,-0.5 -0.974 9.2-158.4-110.4 125.3 34.1 12.2 9.1 105 105 A V E -dg 56 134C 2 -50,-2.9 -48,-2.9 -2,-0.5 2,-0.6 -0.924 0.6-160.8-102.0 123.1 36.0 9.8 11.3 106 106 A L E +dg 57 135C 0 28,-2.7 30,-2.3 -2,-0.5 2,-0.4 -0.945 19.9 173.3-103.1 117.8 35.2 10.0 15.1 107 107 A Q E +dg 58 136C 18 -50,-2.5 -48,-1.6 -2,-0.6 -47,-0.6 -0.961 4.3 149.6-127.1 147.2 38.0 8.4 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 48.0 -87.2-155.5 168.4 38.6 8.2 20.8 109 109 A G S S- 0 0 1 -49,-1.7 2,-2.0 -2,-0.3 -46,-0.2 -0.245 70.9 -79.5 -59.9 166.7 40.0 6.3 23.7 110 110 A E + 0 0 2 239,-0.1 -46,-1.6 -49,-0.1 -1,-0.1 -0.574 69.3 173.4 -75.1 85.1 37.6 3.8 25.1 111 111 A D > - 0 0 0 -2,-2.0 3,-1.0 -48,-0.2 4,-0.4 -0.827 25.7-158.6-103.5 108.1 35.8 6.5 27.0 112 112 A P G > S+ 0 0 68 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.727 76.3 82.7 -55.2 -26.2 32.6 5.2 28.7 113 113 A Y G 3 S+ 0 0 136 1,-0.3 5,-0.2 3,-0.0 -2,-0.0 0.845 97.2 36.9 -55.6 -39.1 31.0 8.7 29.0 114 114 A X G <>>S+ 0 0 1 -3,-1.0 5,-1.8 4,-0.1 4,-1.1 0.551 88.4 146.7 -87.8 -10.5 29.6 8.8 25.5 115 115 A M T <45 - 0 0 17 -3,-1.4 2,-0.1 -4,-0.4 29,-0.0 -0.688 68.7 -26.6 -99.7 130.7 28.6 5.2 25.1 116 116 A P T >5S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 -0.980 132.2 39.4 -94.7 -19.7 26.2 4.4 23.5 117 117 A D H >5S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.806 111.0 51.4 -72.7 -33.9 23.6 7.2 23.4 118 118 A V H X5S+ 0 0 31 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.931 112.1 49.5 -68.4 -40.9 25.8 10.4 23.1 119 119 A I H ><>S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 5,-0.5 0.888 105.2 60.2 -71.0 -36.0 26.5 14.5 11.3 127 127 A K H ><5S+ 0 0 48 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.814 91.9 68.1 -64.4 -23.6 24.6 12.2 8.9 128 128 A K T 3<5S+ 0 0 149 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.735 88.9 67.7 -63.3 -18.8 22.3 15.1 8.2 129 129 A M T < 5S- 0 0 36 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.472 113.5-115.2 -84.7 -4.3 25.3 16.8 6.5 130 130 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.786 73.9 116.1 76.8 32.7 25.3 14.2 3.7 131 131 A V < - 0 0 7 -5,-0.5 -1,-0.3 -4,-0.1 2,-0.2 -0.777 69.1 -94.9-124.6 165.3 28.6 12.6 4.4 132 132 A A E -g 103 0C 0 -30,-2.5 -28,-2.5 -2,-0.3 2,-0.5 -0.577 33.7-148.8 -75.2 146.0 29.9 9.2 5.4 133 133 A V E -g 104 0C 0 19,-0.3 21,-2.6 -2,-0.2 22,-1.8 -0.985 11.9-172.5-121.5 128.2 30.5 8.6 9.1 134 134 A T E -gh 105 155C 4 -30,-2.6 -28,-2.7 -2,-0.5 2,-0.4 -0.957 8.5-154.4-117.4 132.5 33.2 6.2 10.4 135 135 A L E +gh 106 156C 0 20,-2.5 22,-2.7 -2,-0.4 -28,-0.2 -0.855 17.4 175.9-106.8 145.4 33.6 5.3 14.0 136 136 A S E +g 107 0C 4 -30,-2.3 -28,-1.7 -2,-0.4 22,-0.1 -0.647 32.1 132.9-146.2 78.2 36.9 4.2 15.7 137 137 A L - 0 0 0 1,-0.4 2,-0.2 -30,-0.2 -26,-0.1 0.331 59.0-122.1-116.9 1.8 35.9 3.8 19.4 138 138 A G - 0 0 0 19,-0.5 2,-0.5 -28,-0.1 -1,-0.4 -0.525 60.5 -11.4 88.7-153.8 37.4 0.4 20.3 139 139 A E + 0 0 3 -2,-0.2 41,-0.1 210,-0.1 40,-0.0 -0.747 67.9 153.1 -95.5 125.2 35.6 -2.7 21.7 140 140 A W - 0 0 13 -2,-0.5 5,-0.1 1,-0.0 -2,-0.0 -0.901 49.6 -72.0-142.8 163.1 32.0 -2.3 22.9 141 141 A P >> - 0 0 67 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.264 43.8-113.2 -57.2 150.2 29.0 -4.6 23.2 142 142 A R H 3> S+ 0 0 94 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.865 117.2 62.5 -47.7 -41.4 27.2 -5.8 20.1 143 143 A E H 3> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.866 102.4 49.1 -58.7 -36.2 24.2 -3.7 21.3 144 144 A Y H <> S+ 0 0 60 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.944 111.0 48.8 -68.4 -47.2 26.2 -0.5 21.1 145 145 A Y H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.888 111.5 51.3 -57.3 -38.1 27.5 -1.3 17.6 146 146 A E H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.928 109.2 49.4 -66.4 -45.6 23.9 -2.0 16.6 147 147 A K H X S+ 0 0 91 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.898 110.7 50.1 -59.3 -41.3 22.7 1.3 18.0 148 148 A W H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.4 0.861 110.0 50.5 -69.4 -33.6 25.4 3.2 16.1 149 149 A K H ><5S+ 0 0 70 -4,-1.9 3,-1.3 3,-0.2 -2,-0.2 0.929 110.7 49.0 -67.1 -44.5 24.5 1.4 12.8 150 150 A E H 3<5S+ 0 0 166 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.854 105.3 58.9 -64.0 -30.2 20.8 2.3 13.3 151 151 A A T 3<5S- 0 0 12 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.622 130.2 -94.5 -73.8 -14.8 21.9 5.9 14.0 152 152 A G T < 5 + 0 0 23 -3,-1.3 -19,-0.3 -4,-0.4 -3,-0.2 0.425 67.1 156.4 118.8 1.8 23.5 6.0 10.6 153 153 A A < - 0 0 0 -5,-2.5 -1,-0.3 1,-0.1 -19,-0.2 -0.337 20.2-169.0 -60.4 139.9 27.2 5.1 11.0 154 154 A D + 0 0 39 -21,-2.6 39,-2.3 1,-0.2 2,-0.3 0.788 60.1 20.0 -96.7 -39.7 28.7 3.7 7.8 155 155 A R E -hi 134 193C 7 -22,-1.8 -20,-2.5 37,-0.2 2,-0.4 -0.927 54.7-156.3-137.1 159.3 32.1 2.3 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 7.7-153.3-141.4 128.7 34.0 1.1 11.7 157 157 A L E + i 0 195C 35 -22,-2.7 -19,-0.5 -2,-0.4 2,-0.2 -0.915 25.8 156.8-101.0 123.0 37.8 1.0 12.2 158 158 A L - 0 0 0 37,-2.9 39,-0.2 -2,-0.5 26,-0.1 -0.694 30.3-149.0-145.2 83.3 39.1 -1.6 14.6 159 159 A R - 0 0 44 37,-0.3 39,-0.2 -2,-0.2 37,-0.1 -0.273 10.8-141.5 -54.8 137.6 42.7 -2.6 13.9 160 160 A H - 0 0 0 37,-0.9 2,-2.4 1,-0.2 38,-0.2 0.661 25.9-159.2 -74.1 -15.8 43.4 -6.2 14.8 161 161 A E B +j 198 0C 1 36,-2.2 38,-1.8 2,-0.1 2,-0.3 -0.345 66.4 0.5 76.6 -59.5 46.8 -4.9 16.0 162 162 A T - 0 0 2 -2,-2.4 48,-0.1 36,-0.2 6,-0.1 -0.916 56.5-148.3-157.5 136.8 48.5 -8.3 15.9 163 163 A A S S+ 0 0 13 -2,-0.3 3,-0.1 46,-0.3 -2,-0.1 0.378 74.5 101.1 -88.1 2.4 47.1 -11.7 14.8 164 164 A N > - 0 0 44 1,-0.2 4,-2.9 2,-0.0 5,-0.2 -0.802 63.8-156.8 -85.1 111.6 49.4 -13.5 17.2 165 165 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 12,-0.4 0.820 89.1 50.1 -65.8 -27.2 47.0 -14.3 20.1 166 166 A V H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.947 114.3 43.2 -73.0 -49.2 49.8 -14.6 22.7 167 167 A L H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 112.9 55.2 -59.3 -41.6 51.4 -11.3 21.7 168 168 A H H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.929 108.1 47.1 -58.9 -46.6 48.0 -9.7 21.5 169 169 A R H < S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.3 49.8 -67.3 -36.7 47.1 -10.7 25.1 170 170 A K H < S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 117.5 39.5 -66.6 -37.9 50.4 -9.5 26.5 171 171 A L H < S+ 0 0 9 -4,-2.2 -103,-2.8 1,-0.2 -102,-0.4 0.735 125.1 37.7 -84.7 -21.4 50.1 -6.1 24.8 172 172 A R S >< S+ 0 0 2 -4,-2.0 3,-2.1 -105,-0.2 -1,-0.2 -0.666 70.6 173.9-131.4 71.4 46.4 -5.7 25.4 173 173 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.567 71.4 61.4 -67.6 -9.7 45.9 -7.1 28.9 174 174 A D T 3 S+ 0 0 63 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.527 118.0 4.9 -85.9 -9.7 42.2 -6.2 29.2 175 175 A T S < S- 0 0 12 -3,-2.1 2,-0.3 -6,-0.2 -3,-0.1 -0.572 70.8-118.3-153.0-153.8 41.2 -8.2 26.3 176 176 A S > - 0 0 34 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.994 30.6-105.5-162.0 163.2 42.2 -10.7 23.6 177 177 A F H > S+ 0 0 28 -12,-0.4 4,-3.2 -2,-0.3 5,-0.3 0.895 119.0 59.0 -61.6 -40.9 42.6 -11.5 19.9 178 178 A E H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 109.2 43.3 -55.4 -45.4 39.6 -13.7 20.1 179 179 A N H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 112.5 52.9 -67.0 -42.3 37.5 -10.8 21.3 180 180 A R H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.936 111.8 45.8 -58.9 -46.0 39.0 -8.4 18.8 181 181 A L H X S+ 0 0 33 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.917 110.7 52.5 -61.8 -46.5 38.1 -10.8 16.0 182 182 A N H X S+ 0 0 75 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.911 108.9 51.2 -59.5 -38.3 34.6 -11.3 17.3 183 183 A X H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.946 111.0 47.6 -60.0 -46.7 34.1 -7.6 17.3 184 184 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 112.7 48.7 -62.5 -42.6 35.3 -7.4 13.7 185 185 A L H X S+ 0 0 75 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.901 111.4 50.4 -63.6 -38.6 33.0 -10.2 12.7 186 186 A T H X S+ 0 0 21 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.925 108.8 51.9 -63.3 -45.3 30.1 -8.5 14.5 187 187 A L H <>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.5 0.938 111.2 47.2 -57.2 -46.2 30.8 -5.2 12.7 188 188 A K H ><5S+ 0 0 74 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.918 110.3 52.3 -61.9 -44.9 30.8 -7.0 9.4 189 189 A E H 3<5S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.2 56.2 -61.1 -35.0 27.5 -8.9 10.2 190 190 A L T 3<5S- 0 0 41 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.578 122.7-105.8 -75.7 -8.6 25.8 -5.6 11.1 191 191 A G T < 5 + 0 0 50 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.2 0.531 68.6 145.0 97.5 8.2 26.6 -4.2 7.7 192 192 A Y < - 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