==== 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 28-MAR-13 4JXC . COMPND 2 MOLECULE: FEFE-HYDROGENASE MATURASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.NICOLET,R.ROHAC,L.MARTIN,J.C.FONTECILLA-CAMPS . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 68.3 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 . 3 6 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 2 A T > 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 143.5 64.9 -15.4 -6.8 2 3 A G H > + 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 360.0 56.9 -49.2 -44.5 63.6 -11.9 -6.1 3 4 A R H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 106.3 47.1 -55.2 -44.9 62.5 -12.3 -9.7 4 5 A E H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 108.8 53.5 -69.4 -37.8 60.5 -15.5 -9.0 5 6 A I H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.931 109.4 49.7 -62.3 -42.4 58.8 -14.1 -5.9 6 7 A L H X S+ 0 0 27 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.925 109.8 51.0 -61.0 -46.0 57.6 -11.1 -8.1 7 8 A E H X S+ 0 0 37 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 110.8 48.4 -56.6 -44.5 56.3 -13.5 -10.8 8 9 A K H <>S+ 0 0 48 -4,-2.4 5,-2.9 2,-0.2 -2,-0.2 0.907 112.0 48.7 -66.3 -40.1 54.4 -15.5 -8.1 9 10 A L H ><5S+ 0 0 3 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.909 111.5 50.4 -61.0 -41.6 52.9 -12.3 -6.7 10 11 A E H 3<5S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.3 47.0 -63.9 -37.8 52.0 -11.2 -10.2 11 12 A R T 3<5S- 0 0 121 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.378 115.9-118.7 -84.5 2.7 50.3 -14.6 -10.8 12 13 A R T < 5 + 0 0 75 -3,-1.1 2,-1.2 -4,-0.2 -3,-0.2 0.817 60.2 151.4 62.8 36.2 48.5 -14.3 -7.4 13 14 A E < - 0 0 39 -5,-2.9 2,-1.6 -6,-0.1 -1,-0.2 -0.729 21.0-179.6 -94.0 82.4 50.2 -17.4 -5.8 14 15 A F + 0 0 39 -2,-1.2 2,-0.1 -3,-0.1 -1,-0.1 -0.412 13.4 159.4 -92.4 61.5 50.0 -16.0 -2.3 15 16 A T > - 0 0 63 -2,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.398 54.8-115.1 -78.7 156.0 51.6 -18.8 -0.4 16 17 A R H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 119.3 55.1 -52.0 -42.0 53.0 -18.4 3.1 17 18 A E H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 107.0 48.2 -62.0 -42.9 56.4 -19.2 1.5 18 19 A V H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.946 114.3 46.1 -64.7 -44.6 56.1 -16.4 -1.2 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.905 112.1 50.6 -66.9 -40.8 55.0 -13.8 1.5 20 21 A K H X S+ 0 0 78 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.926 111.9 47.1 -63.9 -43.5 57.8 -14.8 3.9 21 22 A E H X S+ 0 0 97 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.930 109.9 53.1 -65.5 -41.4 60.5 -14.5 1.2 22 23 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 114.0 43.1 -55.9 -43.8 59.1 -11.1 0.0 23 24 A L H < S+ 0 0 8 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.755 116.4 48.2 -73.9 -24.4 59.4 -9.8 3.6 24 25 A S H < S+ 0 0 55 -4,-1.7 -2,-0.2 -5,-0.2 2,-0.2 0.814 86.1 95.2 -88.5 -34.3 62.8 -11.4 4.2 25 26 A I < - 0 0 32 -4,-2.7 2,-0.3 -5,-0.2 -4,-0.0 -0.417 50.8-171.1 -64.1 126.0 64.6 -10.3 1.0 26 27 A N + 0 0 98 -2,-0.2 2,-0.4 4,-0.0 -1,-0.1 -0.675 37.8 129.9-118.9 66.7 66.6 -7.1 1.7 27 28 A D > - 0 0 89 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.996 54.2-143.1-118.9 130.5 67.7 -6.3 -1.9 28 29 A R H > S+ 0 0 133 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.917 100.5 51.6 -62.4 -46.5 67.0 -2.7 -3.1 29 30 A G H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 112.0 46.9 -55.4 -44.9 66.1 -3.8 -6.7 30 31 A F H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.942 112.7 49.0 -62.5 -50.4 63.6 -6.4 -5.3 31 32 A N H X S+ 0 0 21 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.923 111.4 49.0 -58.5 -43.1 62.0 -3.9 -2.9 32 33 A E H X S+ 0 0 121 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.881 111.4 49.9 -65.9 -37.9 61.7 -1.2 -5.6 33 34 A A H X S+ 0 0 36 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.887 110.2 50.7 -64.5 -41.1 60.1 -3.7 -8.0 34 35 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.913 111.1 48.0 -62.3 -43.5 57.6 -4.7 -5.2 35 36 A F H X S+ 0 0 28 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.905 111.4 50.5 -65.1 -41.7 56.7 -1.1 -4.6 36 37 A K H X S+ 0 0 124 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 109.5 51.2 -59.6 -44.6 56.3 -0.5 -8.3 37 38 A L H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 112.6 45.4 -58.1 -50.4 54.0 -3.6 -8.5 38 39 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.892 112.5 51.1 -60.3 -41.1 51.9 -2.3 -5.6 39 40 A D H X S+ 0 0 28 -4,-2.4 4,-2.5 244,-0.2 -2,-0.2 0.913 112.2 47.2 -64.5 -41.9 51.7 1.2 -7.1 40 41 A E H X S+ 0 0 78 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.916 112.1 49.0 -65.3 -45.4 50.6 -0.2 -10.5 41 42 A I H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.933 111.3 51.2 -61.9 -43.8 47.9 -2.4 -8.9 42 43 A R H X>S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 5,-0.9 0.958 111.5 46.7 -55.6 -52.9 46.7 0.5 -6.9 43 44 A R H X5S+ 0 0 139 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.929 115.4 46.1 -58.9 -44.9 46.4 2.7 -10.0 44 45 A K H <5S+ 0 0 147 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 123.5 30.5 -65.8 -40.8 44.7 -0.1 -12.0 45 46 A Y H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.831 136.4 18.1 -92.2 -38.8 42.1 -1.1 -9.3 46 47 A V H <5S- 0 0 32 -4,-2.6 3,-0.4 -5,-0.4 -3,-0.2 0.441 95.8-143.9-117.9 -2.1 41.4 2.1 -7.3 47 48 A G << - 0 0 26 -4,-1.0 -1,-0.2 -5,-0.9 -2,-0.1 -0.106 39.5 -53.6 75.8-169.7 42.7 4.8 -9.6 48 49 A D S S+ 0 0 41 -5,-0.1 284,-2.0 -4,-0.1 2,-0.2 0.467 93.5 115.3 -92.0 -3.7 44.4 8.1 -8.9 49 50 A E E -a 332 0A 72 -3,-0.4 2,-0.6 282,-0.2 285,-0.1 -0.491 51.1-157.7 -68.5 127.9 41.8 9.5 -6.4 50 51 A V E -a 333 0A 0 282,-2.9 284,-1.7 -2,-0.2 2,-0.4 -0.971 16.7-137.3-105.5 120.0 43.2 9.9 -2.9 51 52 A H E -b 288 0B 11 236,-2.2 238,-2.6 -2,-0.6 2,-0.6 -0.633 9.1-143.8 -86.2 129.9 40.4 9.8 -0.4 52 53 A I E -b 289 0B 18 -2,-0.4 49,-0.7 236,-0.2 50,-0.6 -0.833 14.5-173.4 -96.5 121.2 40.5 12.3 2.4 53 54 A R E -d 102 0C 13 236,-2.4 2,-0.6 -2,-0.6 50,-0.2 -0.962 17.5-145.4-113.3 111.1 39.1 11.2 5.8 54 55 A A E -d 103 0C 0 48,-2.3 50,-3.1 -2,-0.6 2,-0.5 -0.673 17.6-152.1 -80.1 118.2 39.0 14.1 8.3 55 56 A I E -de 104 292C 11 236,-2.1 238,-3.0 -2,-0.6 2,-0.6 -0.805 14.1-169.5-101.7 128.5 39.9 12.7 11.8 56 57 A I E -d 105 0C 0 48,-3.0 50,-2.4 -2,-0.5 2,-1.2 -0.958 9.1-159.2-113.6 113.6 38.6 14.2 15.0 57 58 A E E +d 106 0C 19 -2,-0.6 50,-0.2 48,-0.2 3,-0.1 -0.765 20.5 176.6 -94.0 93.1 40.3 12.7 18.0 58 59 A F E + 0 0 1 48,-1.7 25,-3.0 -2,-1.2 2,-0.3 0.612 55.6 16.5 -89.7 -15.5 37.5 13.7 20.4 59 60 A S E -dF 107 82C 0 47,-0.6 49,-1.9 23,-0.2 23,-0.2 -0.945 45.4-165.2-154.0 137.8 38.6 12.2 23.7 60 61 A N + 0 0 0 21,-1.6 2,-0.4 -2,-0.3 22,-0.1 0.174 55.5 120.6-108.4 17.8 41.9 10.9 25.0 61 62 A V - 0 0 30 20,-0.5 2,-0.4 47,-0.2 47,-0.1 -0.628 41.1-178.9 -76.8 131.7 40.3 9.2 28.0 62 63 A C - 0 0 21 -2,-0.4 48,-0.2 9,-0.2 -2,-0.0 -0.990 33.2-166.0-140.7 139.3 40.9 5.4 28.0 63 64 A R S S+ 0 0 101 46,-1.6 2,-0.1 -2,-0.4 -1,-0.1 0.571 73.0 81.3 -89.5 -14.8 39.9 2.5 30.2 64 65 A K - 0 0 18 45,-0.1 9,-2.7 7,-0.1 10,-0.1 -0.468 65.9-147.1 -95.5 170.3 42.4 0.1 28.7 65 66 A N + 0 0 12 7,-0.3 7,-0.1 -2,-0.1 -1,-0.0 -0.150 22.5 176.1-130.2 35.1 46.1 -0.3 29.4 66 67 A C > - 0 0 12 1,-0.2 3,-1.0 105,-0.1 6,-0.2 -0.177 31.8-134.0 -52.5 134.7 47.7 -1.3 26.1 67 68 A L T 3 S+ 0 0 39 103,-2.8 170,-0.9 1,-0.3 -1,-0.2 0.738 99.8 47.1 -67.0 -26.7 51.4 -1.5 26.7 68 69 A Y T 3 S+ 0 0 3 102,-0.4 2,-0.4 168,-0.1 -1,-0.3 0.619 93.5 92.7 -85.4 -18.0 52.3 0.4 23.5 69 70 A C X - 0 0 13 -3,-1.0 3,-1.9 1,-0.1 236,-0.2 -0.710 60.6-150.9-101.1 129.2 49.9 3.4 23.7 70 71 A G T 3 S+ 0 0 0 234,-2.3 234,-0.2 -2,-0.4 -1,-0.1 0.682 99.6 60.0 -61.5 -20.7 50.5 6.8 25.3 71 72 A L T 3 S+ 0 0 1 233,-0.1 -1,-0.3 231,-0.1 -9,-0.2 0.473 75.3 134.9 -85.9 -1.1 46.7 7.0 26.2 72 73 A R X - 0 0 20 -3,-1.9 3,-2.1 -6,-0.2 -7,-0.3 -0.089 68.6-114.7 -49.6 146.1 46.9 3.9 28.4 73 74 A R T 3 S+ 0 0 110 -9,-2.7 -8,-0.1 1,-0.3 -1,-0.1 0.800 111.7 61.2 -59.7 -31.6 45.1 4.3 31.7 74 75 A D T 3 S+ 0 0 95 -10,-0.1 2,-1.4 1,-0.1 -1,-0.3 0.590 76.0 103.5 -71.2 -10.7 48.2 4.0 33.8 75 76 A N X + 0 0 8 -3,-2.1 3,-0.6 1,-0.2 -1,-0.1 -0.610 40.8 169.9 -76.9 96.4 49.8 7.1 32.1 76 77 A K T 3 + 0 0 199 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.609 64.3 75.9 -76.4 -14.8 49.3 9.7 34.8 77 78 A N T 3 S+ 0 0 128 157,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.658 78.9 90.5 -74.6 -8.5 51.5 12.3 32.9 78 79 A L S < S- 0 0 14 -3,-0.6 2,-0.4 -8,-0.1 223,-0.1 -0.704 74.3-131.0-103.5 130.0 48.9 13.1 30.4 79 80 A K - 0 0 160 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.636 30.9-141.9 -72.0 122.9 46.2 15.8 30.6 80 81 A R - 0 0 82 -2,-0.4 2,-0.3 -21,-0.0 222,-0.1 -0.678 22.7-178.2 -90.6 144.5 42.9 14.2 29.7 81 82 A Y - 0 0 14 -2,-0.3 -21,-1.6 220,-0.1 -20,-0.5 -0.964 17.1-164.2-139.2 159.1 40.3 15.9 27.6 82 83 A R B -F 59 0C 114 -2,-0.3 -23,-0.2 -23,-0.2 2,-0.2 -0.951 17.1-140.1-143.3 121.3 36.8 15.4 26.2 83 84 A M - 0 0 2 -25,-3.0 -25,-0.0 -2,-0.3 -2,-0.0 -0.539 29.5-114.8 -71.6 142.9 35.2 17.4 23.5 84 85 A T > - 0 0 61 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.403 25.2-111.5 -72.8 156.8 31.5 18.2 24.0 85 86 A P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.916 121.1 51.8 -56.3 -40.1 29.0 16.7 21.6 86 87 A E H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 109.3 50.3 -61.3 -44.3 28.2 20.1 20.3 87 88 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 111.5 48.7 -58.9 -42.7 32.0 20.8 19.7 88 89 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.942 112.8 46.5 -67.4 -47.4 32.4 17.5 17.9 89 90 A V H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.926 115.3 45.8 -59.7 -45.7 29.4 18.1 15.6 90 91 A E H X S+ 0 0 99 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.872 111.4 52.3 -70.6 -32.8 30.4 21.7 14.8 91 92 A R H X S+ 0 0 22 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 109.8 49.3 -65.2 -43.7 34.0 20.6 14.2 92 93 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 108.2 54.5 -57.0 -43.8 32.7 17.9 11.8 93 94 A R H X S+ 0 0 86 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.901 106.2 51.6 -60.3 -41.1 30.6 20.6 10.1 94 95 A L H X S+ 0 0 49 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.903 108.5 50.8 -63.5 -41.6 33.7 22.7 9.6 95 96 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 3,-0.2 0.914 110.3 49.6 -59.2 -43.0 35.5 19.7 8.0 96 97 A V H ><5S+ 0 0 37 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.913 108.0 53.8 -62.4 -40.3 32.5 19.2 5.6 97 98 A Q H 3<5S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.809 105.9 53.7 -59.3 -32.7 32.7 22.9 4.8 98 99 A F T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.355 131.3 -95.4 -84.1 2.8 36.4 22.3 3.9 99 100 A G T < 5 + 0 0 26 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.503 68.1 157.0 100.2 4.8 35.3 19.5 1.5 100 101 A A < - 0 0 3 -5,-2.5 -1,-0.3 1,-0.1 -47,-0.1 -0.474 21.0-173.7 -64.7 131.8 35.7 16.4 3.7 101 102 A K S S+ 0 0 76 -49,-0.7 30,-2.6 1,-0.2 2,-0.4 0.508 73.6 42.1-102.5 -12.4 33.5 13.6 2.4 102 103 A T E -dg 53 131C 0 -50,-0.6 -48,-2.3 28,-0.2 2,-0.5 -0.997 67.3-159.4-132.0 133.3 34.3 11.2 5.3 103 104 A I E -dg 54 132C 0 28,-2.6 30,-2.7 -2,-0.4 2,-0.5 -0.966 9.2-158.2-107.9 128.6 34.4 12.2 9.0 104 105 A V E -dg 55 133C 2 -50,-3.1 -48,-3.0 -2,-0.5 2,-0.6 -0.935 0.5-160.2-107.0 123.0 36.3 9.8 11.3 105 106 A L E +dg 56 134C 0 28,-2.7 30,-2.3 -2,-0.5 2,-0.4 -0.935 20.3 174.0-101.3 116.6 35.5 10.0 15.0 106 107 A Q E +dg 57 135C 19 -50,-2.4 -48,-1.7 -2,-0.6 -47,-0.6 -0.964 4.9 147.7-125.1 145.6 38.4 8.4 17.0 107 108 A S E -d 59 0C 0 28,-1.7 -47,-0.2 -2,-0.4 -45,-0.1 -0.979 48.7 -87.1-156.9 167.1 39.0 8.2 20.8 108 109 A G S S- 0 0 1 -49,-1.9 2,-2.1 -2,-0.3 -46,-0.2 -0.287 70.6 -80.2 -59.0 166.3 40.4 6.3 23.6 109 110 A E + 0 0 2 239,-0.1 -46,-1.6 -49,-0.1 -1,-0.1 -0.577 68.4 175.0 -75.3 83.8 37.9 3.8 25.0 110 111 A D > - 0 0 0 -2,-2.1 3,-1.0 -48,-0.2 4,-0.3 -0.843 25.6-157.6-101.0 106.9 36.1 6.5 27.0 111 112 A P G > S+ 0 0 69 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.753 78.2 81.2 -53.5 -29.0 32.9 5.2 28.7 112 113 A Y G 3 S+ 0 0 139 1,-0.3 5,-0.2 3,-0.0 -2,-0.0 0.840 97.8 37.3 -50.5 -42.9 31.3 8.7 28.9 113 114 A Y G <>>S+ 0 0 1 -3,-1.0 5,-1.9 4,-0.1 4,-0.8 0.509 88.1 146.4 -87.0 -7.7 30.0 8.8 25.4 114 115 A M T <45 - 0 0 18 -3,-1.7 29,-0.0 -4,-0.3 2,-0.0 -0.733 69.4 -28.2-103.8 127.5 29.0 5.1 25.0 115 116 A P T >5S+ 0 0 14 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 -0.987 132.0 39.4 -97.9 -17.0 26.6 4.4 23.4 116 117 A D H >5S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.820 110.5 52.8 -75.9 -32.3 24.0 7.1 23.2 117 118 A V H X5S+ 0 0 35 -4,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.936 111.1 49.8 -67.2 -42.4 26.1 10.3 23.0 118 119 A I H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 5,-0.5 0.906 105.0 60.4 -71.2 -36.9 26.9 14.5 11.2 126 127 A K H >< S+ 0 0 49 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.802 92.1 67.5 -60.4 -28.1 25.0 12.2 8.9 127 128 A K T 3< S+ 0 0 149 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.736 88.9 68.3 -60.2 -21.6 22.6 15.1 8.1 128 129 A M T < S- 0 0 35 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.434 113.5-115.3 -80.6 -3.2 25.6 16.7 6.4 129 130 A G S < S+ 0 0 47 -3,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.828 74.0 117.0 75.5 33.5 25.6 14.1 3.6 130 131 A V - 0 0 7 -5,-0.5 -1,-0.3 -4,-0.1 2,-0.2 -0.812 69.0 -95.2-124.4 165.6 28.9 12.6 4.3 131 132 A A E -g 102 0C 0 -30,-2.6 -28,-2.6 -2,-0.3 2,-0.5 -0.588 33.8-149.7 -76.3 144.0 30.3 9.1 5.4 132 133 A V E -g 103 0C 0 19,-0.3 21,-2.6 -2,-0.2 22,-1.9 -0.984 10.9-170.9-118.4 127.0 30.9 8.6 9.1 133 134 A T E -gh 104 154C 3 -30,-2.7 -28,-2.7 -2,-0.5 2,-0.4 -0.956 8.3-154.2-113.3 131.4 33.7 6.2 10.3 134 135 A L E +gh 105 155C 0 20,-2.4 22,-2.6 -2,-0.4 -28,-0.2 -0.841 18.1 174.7-103.7 143.7 34.0 5.2 14.0 135 136 A S E +g 106 0C 5 -30,-2.3 -28,-1.7 -2,-0.4 22,-0.1 -0.608 31.2 132.6-145.5 77.7 37.2 4.2 15.6 136 137 A L - 0 0 0 1,-0.4 2,-0.2 -30,-0.2 -26,-0.1 0.340 58.9-123.0-115.6 3.8 36.3 3.8 19.3 137 138 A G - 0 0 0 19,-0.4 2,-0.5 -28,-0.1 -1,-0.4 -0.551 60.4 -9.3 88.2-153.4 37.8 0.4 20.2 138 139 A E + 0 0 10 -2,-0.2 41,-0.1 210,-0.1 40,-0.0 -0.742 68.1 152.9 -92.7 123.6 36.0 -2.7 21.7 139 140 A W - 0 0 12 -2,-0.5 5,-0.1 1,-0.0 -2,-0.0 -0.901 49.2 -72.6-141.5 163.6 32.4 -2.4 22.8 140 141 A P >> - 0 0 64 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.261 44.2-112.2 -56.8 150.9 29.4 -4.7 23.2 141 142 A R H 3> S+ 0 0 99 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.869 117.5 61.8 -48.4 -42.6 27.6 -5.8 20.0 142 143 A E H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.832 101.9 49.9 -55.9 -36.5 24.6 -3.8 21.2 143 144 A Y H <> S+ 0 0 64 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.935 110.7 48.4 -68.4 -48.0 26.7 -0.6 21.0 144 145 A Y H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.883 111.7 51.7 -59.1 -36.9 27.9 -1.4 17.5 145 146 A E H X S+ 0 0 61 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.934 109.4 48.4 -63.1 -48.9 24.3 -2.1 16.5 146 147 A K H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.900 111.5 50.7 -57.3 -41.0 23.0 1.2 17.9 147 148 A W H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.851 109.9 49.2 -69.5 -34.7 25.8 3.1 16.0 148 149 A K H ><5S+ 0 0 68 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.938 111.2 49.7 -68.1 -45.1 24.9 1.4 12.7 149 150 A E H 3<5S+ 0 0 165 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.847 105.5 58.7 -58.5 -34.0 21.3 2.2 13.2 150 151 A A T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.643 129.9 -94.9 -70.5 -16.6 22.3 5.8 13.9 151 152 A G T < 5 + 0 0 23 -3,-1.4 -19,-0.3 -4,-0.5 -3,-0.2 0.423 66.6 157.0 117.5 1.3 23.9 5.9 10.5 152 153 A A < - 0 0 0 -5,-2.5 -1,-0.3 1,-0.1 -19,-0.2 -0.348 20.0-169.3 -60.5 139.6 27.6 5.0 10.9 153 154 A D + 0 0 42 -21,-2.6 39,-2.2 1,-0.2 2,-0.3 0.787 60.4 19.6 -97.5 -38.9 29.1 3.7 7.7 154 155 A R E -hi 133 192C 7 -22,-1.9 -20,-2.4 37,-0.2 2,-0.4 -0.914 55.0-155.4-137.6 160.2 32.5 2.3 8.6 155 156 A Y E -hi 134 193C 0 37,-2.3 39,-2.8 -2,-0.3 2,-0.6 -0.984 6.7-155.3-143.5 125.7 34.4 1.1 11.6 156 157 A L E + i 0 194C 35 -22,-2.6 -19,-0.4 -2,-0.4 2,-0.3 -0.918 25.2 157.6-102.7 117.0 38.2 1.0 12.0 157 158 A L - 0 0 0 37,-3.0 39,-0.2 -2,-0.6 26,-0.1 -0.735 30.6-148.9-138.4 83.5 39.4 -1.6 14.6 158 159 A R - 0 0 49 37,-0.3 39,-0.2 -2,-0.3 37,-0.1 -0.281 9.3-141.7 -55.8 136.8 43.0 -2.4 13.8 159 160 A H - 0 0 0 37,-0.7 2,-2.4 1,-0.2 38,-0.2 0.663 23.6-159.0 -76.0 -15.9 43.7 -6.0 14.8 160 161 A E B +l 197 0D 1 36,-2.3 38,-2.1 2,-0.1 2,-0.3 -0.361 66.2 0.5 78.0 -57.7 47.2 -4.9 16.0 161 162 A T - 0 0 0 -2,-2.4 6,-0.1 36,-0.2 48,-0.1 -0.910 54.3-149.0-159.9 135.9 48.8 -8.3 15.8 162 163 A A S S+ 0 0 13 -2,-0.3 3,-0.1 46,-0.3 -2,-0.1 0.338 74.8 100.9 -87.9 3.1 47.4 -11.7 14.7 163 164 A N > - 0 0 43 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.832 63.7-157.2 -84.8 111.5 49.8 -13.5 17.2 164 165 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 12,-0.3 0.804 88.9 51.1 -66.2 -28.2 47.4 -14.2 20.1 165 166 A V H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.952 114.1 42.1 -71.8 -48.5 50.2 -14.5 22.6 166 167 A L H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 113.9 54.4 -60.2 -42.2 51.8 -11.2 21.7 167 168 A H H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.933 109.3 46.5 -60.7 -47.3 48.3 -9.6 21.5 168 169 A R H < S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.2 6,-0.2 0.875 113.4 48.8 -64.8 -39.8 47.4 -10.7 25.0 169 170 A K H < S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.8 40.1 -65.8 -39.9 50.7 -9.6 26.5 170 171 A L H < S+ 0 0 7 -4,-2.5 -103,-2.8 1,-0.2 -102,-0.4 0.729 125.0 37.6 -80.5 -23.0 50.5 -6.1 24.8 171 172 A R S >< S+ 0 0 1 -4,-2.0 3,-2.2 -5,-0.2 -1,-0.2 -0.629 70.3 173.3-131.3 71.7 46.7 -5.7 25.4 172 173 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.557 72.0 61.8 -69.6 -7.8 46.2 -7.2 28.9 173 174 A D T 3 S+ 0 0 61 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.516 118.1 5.7 -85.6 -9.3 42.6 -6.2 29.2 174 175 A T S < S- 0 0 3 -3,-2.2 2,-0.3 -6,-0.2 -3,-0.1 -0.576 70.5-117.9-154.3-157.1 41.5 -8.3 26.2 175 176 A S > - 0 0 23 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.983 30.8-107.0-159.3 162.7 42.6 -10.8 23.6 176 177 A F H > S+ 0 0 27 -12,-0.3 4,-3.1 -2,-0.3 5,-0.3 0.877 120.3 58.6 -63.4 -37.5 43.0 -11.4 19.9 177 178 A E H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 108.7 44.8 -58.0 -44.0 39.9 -13.7 20.1 178 179 A N H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.934 112.9 50.8 -62.9 -48.1 37.9 -10.6 21.4 179 180 A R H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 112.5 46.3 -57.1 -47.5 39.4 -8.4 18.8 180 181 A L H X S+ 0 0 34 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.909 110.2 52.7 -62.4 -44.4 38.5 -10.8 16.0 181 182 A N H X S+ 0 0 80 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.917 109.3 50.6 -60.5 -38.8 35.0 -11.3 17.4 182 183 A X H X S+ 0 0 23 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.944 111.0 48.5 -59.3 -47.5 34.5 -7.5 17.3 183 184 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 111.9 48.5 -61.8 -41.2 35.7 -7.4 13.7 184 185 A L H X S+ 0 0 66 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.875 111.0 51.2 -65.9 -38.0 33.4 -10.2 12.7 185 186 A T H X S+ 0 0 24 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.918 108.6 51.1 -63.8 -44.9 30.5 -8.5 14.4 186 187 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-0.4 0.932 112.0 47.4 -59.0 -44.7 31.2 -5.2 12.6 187 188 A K H ><5S+ 0 0 79 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.933 110.7 51.5 -60.5 -44.3 31.2 -7.2 9.3 188 189 A E H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 106.1 55.1 -64.7 -33.3 28.0 -8.9 10.1 189 190 A L T 3<5S- 0 0 37 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.515 121.0-107.2 -78.2 -6.7 26.3 -5.6 11.0 190 191 A G T < 5 + 0 0 52 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.558 67.0 147.2 92.2 9.8 27.2 -4.2 7.5 191 192 A Y < - 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