==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-SEP-09 3JTM . COMPND 2 MOLECULE: FORMATE DEHYDROGENASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR V.I.TIMOFEEV,I.G.SHABALIN,A.E.SEROV,K.M.POLYAKOV,V.O.POPOV, . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.0 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 . 1 0.3 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 3 4 1 0 1 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 4 3 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 28 A D 0 0 180 0, 0.0 2,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 134.1 13.0 36.0 46.6 2 29 A S - 0 0 75 39,-0.1 2,-0.3 38,-0.0 39,-0.2 -0.412 360.0-158.0 -61.8 133.7 12.1 32.5 45.5 3 30 A K - 0 0 55 -2,-0.1 39,-2.5 61,-0.0 2,-0.7 -0.858 17.1-128.1-115.5 153.1 10.1 32.5 42.3 4 31 A K E -a 42 0A 23 -2,-0.3 60,-2.8 58,-0.2 61,-1.7 -0.899 28.6-170.6 -99.6 114.6 7.7 30.1 40.7 5 32 A I E -ab 43 65A 0 37,-3.1 39,-2.8 -2,-0.7 2,-0.5 -0.915 3.3-164.2-109.2 125.3 8.7 29.5 37.1 6 33 A V E -ab 44 66A 0 59,-2.7 61,-2.9 -2,-0.5 2,-0.5 -0.953 2.1-168.1-114.2 128.1 6.4 27.5 34.8 7 34 A G E -ab 45 67A 0 37,-2.8 39,-2.2 -2,-0.5 2,-0.5 -0.963 2.4-164.3-114.1 128.7 7.7 26.0 31.5 8 35 A V E +a 46 0A 0 59,-2.8 61,-0.5 -2,-0.5 2,-0.3 -0.966 25.6 145.3-114.4 123.3 5.2 24.7 28.9 9 36 A F - 0 0 0 37,-1.4 16,-0.1 -2,-0.5 2,-0.1 -0.952 48.1 -96.1-146.4 160.9 6.7 22.5 26.1 10 37 A Y - 0 0 64 14,-0.4 16,-2.4 -2,-0.3 2,-0.5 -0.398 43.5-102.7 -75.4 159.2 5.5 19.4 24.2 11 38 A K - 0 0 110 14,-0.2 -1,-0.1 15,-0.1 14,-0.0 -0.755 29.5-174.8 -78.2 126.5 6.5 15.9 25.2 12 39 A A > - 0 0 3 -2,-0.5 3,-2.0 1,-0.2 4,-0.2 0.485 20.7-174.5 -95.6 -8.7 9.3 14.5 23.0 13 40 A N T >> + 0 0 94 1,-0.3 3,-1.6 2,-0.2 4,-0.6 -0.190 68.6 2.3 52.6-129.4 9.0 11.1 24.7 14 41 A E H >> S+ 0 0 96 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.773 125.9 68.3 -62.8 -24.1 11.8 8.7 23.6 15 42 A Y H <> S+ 0 0 137 -3,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.836 94.2 58.2 -62.9 -29.9 13.3 11.4 21.4 16 43 A A H <4 S+ 0 0 1 -3,-1.6 6,-0.3 2,-0.2 -1,-0.2 0.762 109.8 41.9 -72.7 -27.2 14.3 13.3 24.5 17 44 A T H << S+ 0 0 110 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.814 109.9 56.7 -87.9 -32.4 16.4 10.4 25.8 18 45 A K H < S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.825 125.1 24.0 -63.4 -30.8 17.8 9.6 22.4 19 46 A N >< - 0 0 52 -4,-1.5 3,-2.2 -5,-0.2 -1,-0.3 -0.766 63.4-176.4-138.1 94.0 19.1 13.2 22.4 20 47 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.664 86.2 65.8 -62.5 -13.6 19.5 14.9 25.8 21 48 A N T 3 + 0 0 94 1,-0.1 2,-1.8 -4,-0.1 3,-0.2 0.402 68.9 104.6 -87.4 3.0 20.4 18.1 24.0 22 49 A F < + 0 0 30 -3,-2.2 6,-0.3 -6,-0.3 3,-0.2 -0.645 48.3 166.8 -76.9 84.1 16.9 18.3 22.6 23 50 A L + 0 0 23 -2,-1.8 7,-3.0 1,-0.2 2,-1.6 0.749 49.4 80.5 -82.4 -24.0 16.1 21.1 25.1 24 51 A G S S+ 0 0 12 5,-0.2 -14,-0.4 -3,-0.2 2,-0.3 -0.258 82.1 77.3 -83.0 51.6 12.8 22.3 23.8 25 52 A C S > S- 0 0 0 -2,-1.6 4,-2.7 -3,-0.2 5,-0.3 -0.937 89.4-102.3-149.2 169.2 10.6 19.6 25.4 26 53 A V T 4 S+ 0 0 32 -16,-2.4 -15,-0.1 -2,-0.3 -1,-0.1 0.893 114.7 57.0 -60.6 -41.4 9.1 18.7 28.7 27 54 A E T 4 S+ 0 0 74 -17,-0.3 -1,-0.2 1,-0.2 -4,-0.1 0.843 122.0 23.1 -66.8 -36.9 11.7 16.0 29.4 28 55 A N T >4 S- 0 0 43 -6,-0.3 3,-2.4 -3,-0.2 5,-0.3 0.669 86.7-161.8-104.1 -24.7 14.8 18.2 29.1 29 56 A A G >< - 0 0 5 -4,-2.7 3,-1.3 1,-0.3 4,-0.2 0.782 67.7 -52.7 52.1 48.9 13.1 21.6 29.9 30 57 A L G 3 S- 0 0 6 -7,-3.0 -1,-0.3 -5,-0.3 -7,-0.1 0.456 83.4 -93.2 68.4 2.4 15.7 24.0 28.5 31 58 A G G < S+ 0 0 55 -3,-2.4 -1,-0.3 -8,-0.3 4,-0.2 0.764 102.6 111.7 65.2 25.7 18.3 22.3 30.6 32 59 A I <> + 0 0 2 -3,-1.3 4,-2.8 -4,-0.2 5,-0.2 0.400 38.5 95.3-111.3 0.4 17.7 24.9 33.4 33 60 A R H > S+ 0 0 84 -5,-0.3 4,-2.8 1,-0.2 5,-0.3 0.921 85.0 49.2 -62.2 -48.3 16.1 22.8 36.2 34 61 A D H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 115.6 45.4 -57.4 -45.6 19.3 22.1 38.1 35 62 A W H > S+ 0 0 38 -4,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.948 113.7 47.2 -64.3 -50.6 20.2 25.8 38.0 36 63 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.5 0.925 114.4 47.3 -56.6 -44.9 16.8 27.1 39.0 37 64 A E H ><5S+ 0 0 93 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 0.888 106.6 57.0 -68.2 -35.2 16.4 24.6 41.8 38 65 A S H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.774 105.9 52.5 -64.4 -24.6 19.9 25.4 43.1 39 66 A Q T <<5S- 0 0 114 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.376 122.6-106.5 -93.0 2.2 18.8 29.0 43.4 40 67 A G T < 5S+ 0 0 47 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.533 75.4 133.9 87.6 5.7 15.7 28.1 45.4 41 68 A H < - 0 0 17 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.504 55.4-122.4 -84.3 157.0 13.2 28.6 42.7 42 69 A Q E -a 4 0A 102 -39,-2.5 -37,-3.1 -2,-0.2 2,-0.5 -0.872 22.1-163.0 -96.1 137.1 10.4 26.2 41.8 43 70 A Y E -a 5 0A 4 -2,-0.4 2,-0.5 -39,-0.2 -37,-0.2 -0.960 6.7-175.7-124.1 109.4 10.3 25.0 38.2 44 71 A I E -a 6 0A 31 -39,-2.8 -37,-2.8 -2,-0.5 2,-0.4 -0.933 5.4-172.7-107.0 125.8 7.0 23.4 37.1 45 72 A V E +a 7 0A 27 -2,-0.5 2,-0.3 -39,-0.2 -37,-0.2 -0.961 13.3 153.4-124.4 132.7 7.1 21.9 33.6 46 73 A T E -a 8 0A 13 -39,-2.2 -37,-1.4 -2,-0.4 -2,-0.0 -0.995 41.7-156.0-152.5 154.4 4.1 20.6 31.7 47 74 A D S S+ 0 0 46 -2,-0.3 2,-1.2 -39,-0.2 3,-0.1 0.405 74.9 100.5-100.6 -4.8 2.6 19.9 28.2 48 75 A D + 0 0 73 1,-0.2 8,-2.3 -38,-0.1 9,-0.2 -0.663 39.0 137.7 -91.4 92.8 -0.9 20.0 29.6 49 76 A K + 0 0 33 -2,-1.2 2,-0.4 6,-0.2 26,-0.2 0.343 40.1 80.2-125.6 0.7 -1.9 23.6 28.6 50 77 A E S S+ 0 0 101 -3,-0.1 3,-0.1 24,-0.1 5,-0.1 -0.949 72.3 29.3-122.3 136.1 -5.5 23.4 27.3 51 78 A G S > S- 0 0 33 -2,-0.4 3,-1.4 1,-0.1 6,-0.3 -0.038 85.6 -83.8 104.0 154.8 -8.8 23.3 29.2 52 79 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.765 127.7 45.6 -62.6 -25.4 -10.1 24.6 32.5 53 80 A D T 3 S+ 0 0 88 -3,-0.1 -2,-0.1 4,-0.0 5,-0.0 0.280 85.2 123.9-104.5 8.9 -8.8 21.5 34.3 54 81 A C S <> S- 0 0 3 -3,-1.4 4,-0.9 1,-0.1 3,-0.4 -0.247 73.9-111.1 -73.5 160.2 -5.3 21.4 32.7 55 82 A E H >> S+ 0 0 56 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.885 115.7 59.1 -57.5 -39.9 -2.1 21.4 34.8 56 83 A L H >> S+ 0 0 0 -8,-2.3 4,-1.7 1,-0.3 3,-1.6 0.905 99.3 57.1 -57.6 -43.6 -1.2 24.9 33.5 57 84 A E H 34 S+ 0 0 31 -3,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 0.764 97.9 62.7 -61.6 -25.4 -4.4 26.3 35.0 58 85 A K H << S+ 0 0 133 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.786 112.6 35.9 -65.7 -26.7 -3.4 25.0 38.4 59 86 A H H XX S+ 0 0 23 -3,-1.6 4,-2.0 -4,-0.7 3,-1.4 0.653 93.1 84.0-106.2 -20.0 -0.3 27.3 38.4 60 87 A I T 3< S+ 0 0 9 -4,-1.7 26,-0.3 1,-0.2 27,-0.3 0.875 83.9 63.6 -50.3 -40.3 -1.6 30.4 36.6 61 88 A P T 34 S+ 0 0 60 0, 0.0 24,-1.6 0, 0.0 25,-0.4 0.795 122.1 14.3 -60.6 -27.2 -3.0 31.8 39.8 62 89 A D T <4 S+ 0 0 71 -3,-1.4 -58,-0.2 23,-0.2 -2,-0.2 0.439 90.5 118.1-132.2 2.8 0.5 32.0 41.5 63 90 A L < - 0 0 2 -4,-2.0 23,-0.3 1,-0.1 -58,-0.2 -0.314 42.0-160.7 -67.6 154.5 3.3 31.7 39.0 64 91 A H S S+ 0 0 37 -60,-2.8 24,-2.7 1,-0.3 25,-2.0 0.738 75.9 28.1 -98.9 -36.4 5.8 34.6 38.5 65 92 A V E -bc 5 89A 0 -61,-1.7 -59,-2.7 23,-0.2 2,-0.4 -0.995 61.3-164.3-132.8 135.5 7.2 33.6 35.1 66 93 A L E -bc 6 90A 12 23,-2.2 25,-2.3 -2,-0.4 2,-0.4 -0.993 10.8-173.6-122.4 125.1 5.6 31.6 32.2 67 94 A I E +bc 7 91A 0 -61,-2.9 -59,-2.8 -2,-0.4 2,-0.3 -0.948 15.8 145.2-116.9 133.3 7.9 30.3 29.4 68 95 A S E - c 0 92A 5 23,-1.8 25,-2.0 -2,-0.4 -59,-0.1 -0.945 33.7-126.9-152.7 178.4 6.8 28.6 26.2 69 96 A T > - 0 0 10 -61,-0.5 3,-1.5 3,-0.4 25,-0.1 -0.868 30.7-111.2-124.1 161.1 7.6 28.1 22.5 70 97 A P T 3 S+ 0 0 54 0, 0.0 24,-0.1 0, 0.0 27,-0.0 0.639 112.9 69.3 -69.6 -8.3 5.6 28.6 19.4 71 98 A F T 3 S+ 0 0 67 1,-0.3 -62,-0.1 -47,-0.0 238,-0.0 0.658 124.5 5.2 -80.5 -17.5 5.8 24.8 18.9 72 99 A H S < S- 0 0 42 -3,-1.5 -3,-0.4 -64,-0.2 -1,-0.3 -0.430 93.1-164.7-159.6 70.0 3.4 24.2 21.8 73 100 A P - 0 0 16 0, 0.0 2,-0.9 0, 0.0 -64,-0.1 -0.398 21.0-139.4 -78.3 139.0 2.4 27.6 23.0 74 101 A A - 0 0 0 -66,-0.2 2,-0.2 -2,-0.1 -24,-0.1 -0.838 32.9-131.9 -86.5 107.0 0.8 28.5 26.3 75 102 A Y - 0 0 124 -2,-0.9 2,-0.9 -26,-0.2 25,-0.2 -0.428 13.7-153.4 -66.9 129.1 -1.8 31.0 25.2 76 103 A V B +g 100 0B 7 23,-2.7 25,-2.6 -2,-0.2 29,-0.1 -0.796 23.0 175.8-109.9 91.2 -1.8 34.1 27.3 77 104 A T > - 0 0 54 -2,-0.9 4,-2.5 23,-0.2 5,-0.2 -0.444 46.4-111.3 -87.3 162.7 -5.3 35.6 27.1 78 105 A A H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 120.7 58.5 -57.7 -38.7 -6.7 38.5 29.0 79 106 A E H > S+ 0 0 136 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 109.0 42.7 -58.1 -46.2 -8.8 36.0 30.9 80 107 A R H >> S+ 0 0 29 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.904 111.0 54.9 -67.5 -42.3 -5.7 34.1 32.1 81 108 A I H >< S+ 0 0 17 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.901 103.4 56.2 -58.6 -39.6 -3.8 37.3 32.9 82 109 A K H 3< S+ 0 0 193 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 108.1 48.8 -65.1 -25.1 -6.7 38.5 35.2 83 110 A K H << S+ 0 0 104 -3,-0.8 2,-1.0 -4,-0.7 -1,-0.3 0.531 89.4 95.5 -86.4 -11.5 -6.4 35.2 37.2 84 111 A A << + 0 0 16 -3,-1.3 -22,-0.1 -4,-0.6 -1,-0.1 -0.713 47.0 178.2 -96.0 97.5 -2.7 35.5 37.6 85 112 A K S S+ 0 0 157 -24,-1.6 -1,-0.2 -2,-1.0 -23,-0.2 0.859 82.2 25.6 -65.4 -38.2 -1.9 37.1 41.0 86 113 A N S S+ 0 0 60 -25,-0.4 -1,-0.2 -26,-0.3 -24,-0.1 0.480 84.0 131.1-108.5 -5.2 1.9 37.0 40.7 87 114 A L + 0 0 24 -27,-0.3 -23,-0.2 1,-0.2 -22,-0.2 -0.273 11.8 146.0 -60.6 130.7 2.6 36.9 37.0 88 115 A K + 0 0 67 -24,-2.7 23,-2.5 1,-0.3 2,-0.4 0.607 55.8 46.7-123.9 -36.6 5.3 39.4 35.9 89 116 A L E -cd 65 111A 1 -25,-2.0 -23,-2.2 21,-0.2 2,-0.5 -0.951 48.1-170.7-131.4 128.0 7.2 37.9 33.0 90 117 A L E -cd 66 112A 2 21,-2.7 23,-2.3 -2,-0.4 2,-0.4 -0.978 16.8-173.6-113.9 120.1 6.4 36.1 29.8 91 118 A L E -cd 67 113A 3 -25,-2.3 -23,-1.8 -2,-0.5 2,-0.6 -0.968 16.4-152.8-116.8 132.8 9.4 34.5 28.0 92 119 A T E -cd 68 114A 0 21,-2.4 2,-2.0 -2,-0.4 23,-0.7 -0.918 11.2-148.5 -98.1 118.9 9.4 32.9 24.6 93 120 A A S S+ 0 0 2 -25,-2.0 2,-0.3 -2,-0.6 224,-0.1 -0.597 84.9 9.0 -82.3 75.9 12.2 30.3 24.4 94 121 A G S S- 0 0 1 -2,-2.0 21,-2.2 223,-0.2 2,-0.4 -0.977 110.6 -54.3 146.4-153.0 12.5 31.1 20.6 95 122 A I S S+ 0 0 51 -2,-0.3 2,-0.1 19,-0.2 -2,-0.1 -0.995 88.0 69.5-131.7 131.1 10.9 33.7 18.4 96 123 A G - 0 0 21 -2,-0.4 3,-0.0 -4,-0.1 -3,-0.0 -0.118 32.0-180.0 130.6 127.0 7.3 34.3 18.2 97 124 A S > + 0 0 9 -2,-0.1 3,-1.8 3,-0.1 5,-0.1 0.128 44.9 121.2-141.2 29.9 4.8 35.8 20.6 98 125 A D T 3 S+ 0 0 151 1,-0.3 4,-0.1 3,-0.1 -1,-0.0 0.663 70.2 66.3 -65.2 -17.4 1.6 35.6 18.6 99 126 A H T 3 S+ 0 0 15 2,-0.1 -23,-2.7 -24,-0.1 2,-0.4 0.323 89.9 82.1 -86.1 6.2 0.1 33.4 21.3 100 127 A I B < S-g 76 0B 13 -3,-1.8 2,-1.3 -25,-0.2 -23,-0.2 -0.947 80.0-131.8-115.2 132.0 0.2 36.3 23.8 101 128 A D > - 0 0 60 -25,-2.6 4,-2.4 -2,-0.4 5,-0.2 -0.700 29.3-173.2 -76.0 94.8 -2.4 39.1 24.0 102 129 A L H > S+ 0 0 28 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.851 78.2 52.9 -67.3 -36.2 0.3 41.9 24.0 103 130 A Q H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 111.9 45.9 -64.8 -41.6 -2.2 44.7 24.7 104 131 A A H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.880 112.0 52.1 -67.6 -38.5 -3.5 42.8 27.8 105 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.941 111.5 46.8 -61.0 -45.2 0.0 42.1 28.9 106 133 A A H ><5S+ 0 0 19 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.939 110.0 52.5 -61.8 -47.3 0.9 45.7 28.6 107 134 A A H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.6 52.0 -58.6 -31.6 -2.3 46.8 30.5 108 135 A A T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.408 117.3-113.0 -87.5 1.6 -1.3 44.4 33.3 109 136 A G T < 5 + 0 0 25 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.677 64.6 151.9 78.9 18.4 2.2 45.8 33.6 110 137 A L < - 0 0 6 -5,-2.5 234,-2.6 233,-0.2 2,-0.4 -0.261 43.7-129.3 -81.3 166.1 3.9 42.7 32.4 111 138 A T E -d 89 0A 11 -23,-2.5 -21,-2.7 232,-0.2 2,-0.4 -0.957 21.8-172.3-110.1 136.8 7.2 42.2 30.6 112 139 A V E +dE 90 341A 0 229,-2.5 228,-3.2 -2,-0.4 229,-2.0 -0.999 14.2 162.9-129.4 127.2 7.2 40.0 27.4 113 140 A A E -dE 91 339A 0 -23,-2.3 -21,-2.4 -2,-0.4 2,-0.3 -0.968 15.8-169.6-145.6 158.1 10.5 39.1 25.8 114 141 A E E -d 92 0A 21 224,-2.0 2,-1.6 -2,-0.3 -19,-0.2 -0.886 41.4 -92.3-142.0 174.1 12.0 36.6 23.3 115 142 A V > - 0 0 13 -21,-2.2 3,-1.6 -23,-0.7 4,-0.2 -0.547 51.0-153.1 -94.0 74.7 15.3 35.4 22.0 116 143 A T T 3 + 0 0 51 -2,-1.6 222,-0.1 1,-0.2 221,-0.1 -0.135 67.1 4.9 -54.9 133.8 15.7 37.8 19.1 117 144 A G T > S+ 0 0 18 1,-0.1 3,-0.9 220,-0.1 4,-0.3 0.376 87.7 120.9 84.0 -1.4 17.9 36.8 16.1 118 145 A S T < S+ 0 0 11 -3,-1.6 4,-0.2 1,-0.2 198,-0.2 0.521 72.9 46.5 -80.2 -5.8 18.6 33.3 17.3 119 146 A N T 3> S+ 0 0 35 -4,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.415 80.8 99.4-107.9 -1.3 17.1 31.4 14.3 120 147 A V H <> S+ 0 0 17 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.881 83.7 43.8 -66.4 -42.1 18.6 33.4 11.4 121 148 A V H > S+ 0 0 49 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.914 112.9 55.2 -65.2 -40.5 21.5 31.1 10.4 122 149 A S H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.925 110.9 43.1 -58.1 -48.2 19.3 28.1 10.7 123 150 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 112.6 52.8 -67.8 -41.2 16.7 29.4 8.3 124 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.921 110.6 47.6 -59.3 -46.2 19.3 30.7 5.8 125 152 A E H X S+ 0 0 114 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.905 110.6 52.3 -58.6 -43.6 20.9 27.3 5.7 126 153 A D H X S+ 0 0 29 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.893 108.2 50.8 -65.3 -38.8 17.6 25.6 5.2 127 154 A E H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.937 110.4 48.9 -62.8 -44.0 16.7 27.9 2.3 128 155 A L H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.936 108.9 53.6 -62.7 -44.4 20.0 27.2 0.6 129 156 A M H X S+ 0 0 85 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.912 109.4 48.5 -52.2 -48.1 19.5 23.5 1.0 130 157 A R H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.855 104.9 58.1 -67.0 -34.8 16.1 23.7 -0.7 131 158 A I H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.946 112.2 41.9 -57.2 -48.2 17.4 25.7 -3.6 132 159 A L H X S+ 0 0 46 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.923 111.5 54.8 -65.0 -45.3 19.8 22.8 -4.3 133 160 A I H X>S+ 0 0 39 -4,-2.6 5,-1.9 -5,-0.2 4,-0.5 0.927 116.4 38.0 -54.7 -45.8 17.1 20.1 -3.6 134 161 A L H ><5S+ 0 0 16 -4,-2.7 3,-0.5 3,-0.2 -2,-0.2 0.946 119.0 46.4 -72.3 -47.0 14.8 21.7 -6.2 135 162 A M H 3<5S+ 0 0 7 -4,-2.7 25,-2.6 -5,-0.3 -2,-0.2 0.921 119.1 39.8 -63.8 -44.0 17.5 22.7 -8.8 136 163 A R H 3<5S- 0 0 131 -4,-2.9 -1,-0.2 23,-0.2 -2,-0.2 0.455 107.6-125.6 -88.0 -3.4 19.3 19.4 -8.7 137 164 A N T < + 0 0 116 -5,-1.9 4,-2.7 -6,-0.3 3,-0.2 0.889 60.6 63.0 -62.6 -43.3 16.8 15.4 -5.4 139 166 A V H > S+ 0 0 40 -6,-0.4 4,-2.7 1,-0.2 5,-0.2 0.913 101.1 47.5 -60.8 -47.9 13.3 14.3 -4.5 140 167 A P H > S+ 0 0 38 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.877 113.9 51.4 -60.9 -32.9 12.4 12.3 -7.6 141 168 A G H X S+ 0 0 18 -4,-0.9 4,-1.6 -3,-0.2 3,-0.3 0.951 110.0 47.1 -63.6 -50.8 15.7 10.5 -7.2 142 169 A Y H X S+ 0 0 126 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.914 110.2 54.1 -56.7 -42.5 15.1 9.7 -3.5 143 170 A N H X S+ 0 0 74 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.830 104.9 53.5 -66.4 -31.3 11.6 8.5 -4.4 144 171 A Q H <>S+ 0 0 21 -4,-1.5 5,-2.4 -3,-0.3 4,-0.4 0.883 104.7 55.9 -65.0 -41.1 13.0 6.0 -7.0 145 172 A V H ><5S+ 0 0 110 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.959 108.7 46.0 -56.6 -53.1 15.4 4.5 -4.4 146 173 A V H 3<5S+ 0 0 94 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.781 112.3 51.9 -61.3 -29.8 12.6 3.7 -2.0 147 174 A K T 3<5S- 0 0 138 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.363 114.3-111.6 -93.6 4.4 10.4 2.2 -4.8 148 175 A G T < 5S+ 0 0 74 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.1 0.622 73.2 137.2 77.5 14.5 13.1 -0.1 -6.2 149 176 A E < - 0 0 93 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.419 40.8-169.4 -93.6 165.5 13.4 1.9 -9.4 150 177 A W + 0 0 230 -2,-0.1 2,-0.4 -3,-0.1 -9,-0.0 -0.682 26.5 146.1-154.7 94.4 16.3 3.1 -11.5 151 178 A N > + 0 0 82 -2,-0.2 4,-0.5 1,-0.1 3,-0.3 -0.802 16.5 177.8-137.1 85.8 15.3 5.6 -14.2 152 179 A V H >> S+ 0 0 91 -2,-0.4 4,-3.0 1,-0.2 3,-1.6 0.906 80.4 56.0 -58.7 -44.8 18.0 8.1 -14.8 153 180 A A H 3> S+ 0 0 69 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.871 99.9 60.1 -59.1 -36.8 16.1 10.0 -17.6 154 181 A G H 34 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.656 116.4 33.4 -68.3 -15.5 13.2 10.6 -15.4 155 182 A I H X< S+ 0 0 39 -3,-1.6 3,-1.5 -4,-0.5 -2,-0.2 0.797 113.7 56.2-100.4 -46.5 15.4 12.5 -13.0 156 183 A A H >< S+ 0 0 54 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.784 91.8 70.4 -61.4 -31.1 17.9 14.1 -15.4 157 184 A Y T 3< S+ 0 0 142 -4,-1.8 -1,-0.3 1,-0.3 -3,-0.1 0.702 112.9 29.6 -67.7 -16.3 15.3 15.9 -17.6 158 185 A R T < S+ 0 0 148 -3,-1.5 2,-0.5 -5,-0.1 -1,-0.3 0.040 98.8 106.3-124.6 24.0 14.6 18.3 -14.7 159 186 A A < + 0 0 37 -3,-1.8 2,-0.3 -23,-0.1 -23,-0.2 -0.936 40.8 166.0-110.9 125.5 18.0 18.3 -13.0 160 187 A Y - 0 0 130 -25,-2.6 2,-0.2 -2,-0.5 -2,-0.0 -0.893 37.2-108.9-129.0 157.4 20.3 21.4 -13.4 161 188 A D - 0 0 87 -2,-0.3 4,-0.1 2,-0.1 -29,-0.0 -0.617 23.0-133.5 -76.7 151.7 23.5 22.7 -11.7 162 189 A L S > S+ 0 0 5 -2,-0.2 3,-2.1 2,-0.1 -1,-0.1 0.834 77.3 104.2 -72.7 -33.6 23.0 25.8 -9.5 163 190 A E T 3 S+ 0 0 132 1,-0.2 25,-0.2 25,-0.1 24,-0.2 -0.193 87.9 13.4 -47.1 133.4 26.0 27.4 -11.1 164 191 A G T 3 S+ 0 0 55 23,-2.3 -1,-0.2 1,-0.3 24,-0.2 0.275 95.9 129.0 85.4 -10.9 25.0 30.1 -13.6 165 192 A K < - 0 0 41 -3,-2.1 24,-2.8 1,-0.1 2,-0.6 -0.400 62.2-117.1 -81.2 153.9 21.4 30.4 -12.5 166 193 A T E -h 189 0C 20 22,-0.2 56,-2.4 54,-0.2 57,-1.8 -0.820 33.8-175.4 -92.1 118.1 19.5 33.5 -11.6 167 194 A I E -hi 190 223C 3 22,-2.0 24,-2.8 -2,-0.6 2,-0.4 -0.968 2.6-169.6-116.8 126.1 18.4 33.5 -7.9 168 195 A G E -hi 191 224C 0 55,-2.6 57,-2.7 -2,-0.5 2,-0.5 -0.965 9.5-155.0-117.7 130.4 16.3 36.3 -6.5 169 196 A T E -hi 192 225C 2 22,-2.0 24,-2.1 -2,-0.4 2,-1.1 -0.906 11.2-146.0-100.9 129.5 15.5 36.8 -2.8 170 197 A V E S+hi 193 226C 2 55,-3.1 57,-2.5 -2,-0.5 24,-0.1 -0.817 83.7 18.8 -91.4 96.2 12.3 38.8 -2.1 171 198 A G - 0 0 7 22,-2.6 23,-0.2 -2,-1.1 57,-0.1 0.131 62.9-153.1 106.5 130.2 13.6 40.5 1.0 172 199 A A + 0 0 5 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.343 46.3 130.5-133.4 51.3 17.2 41.0 2.1 173 200 A G S > S- 0 0 37 54,-0.5 4,-2.6 4,-0.0 5,-0.2 0.091 83.3 -57.3 -76.5-157.4 16.9 41.3 5.9 174 201 A R H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 139.9 44.4 -55.3 -49.0 19.1 39.2 8.2 175 202 A I H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 113.6 49.4 -64.1 -48.4 18.1 35.9 6.8 176 203 A G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 110.8 50.8 -59.0 -39.3 18.3 37.0 3.1 177 204 A K H X S+ 0 0 78 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.917 109.3 49.1 -65.7 -43.4 21.7 38.4 3.7 178 205 A L H X S+ 0 0 32 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.872 111.5 52.3 -61.5 -38.0 23.1 35.2 5.3 179 206 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.950 107.7 49.6 -60.8 -48.9 21.6 33.4 2.3 180 207 A L H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.880 108.3 53.9 -61.9 -38.1 23.3 35.6 -0.2 181 208 A Q H < S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 110.7 46.3 -63.4 -37.4 26.7 35.1 1.6 182 209 A R H < S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.784 111.1 52.6 -76.5 -25.0 26.3 31.3 1.3 183 210 A L H >< S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.2 5,-0.4 0.754 86.5 87.6 -78.3 -25.0 25.2 31.5 -2.4 184 211 A K G >< S+ 0 0 108 -4,-1.5 3,-1.5 1,-0.3 4,-0.3 0.858 84.9 49.5 -45.0 -52.8 28.3 33.6 -3.4 185 212 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.599 94.5 75.4 -71.6 -7.0 30.7 30.7 -4.1 186 213 A F G < S- 0 0 75 -3,-2.1 -22,-0.2 -4,-0.1 -2,-0.2 0.594 102.3-123.2 -78.2 -11.9 28.2 28.8 -6.3 187 214 A G < + 0 0 43 -3,-1.5 -23,-2.3 -4,-0.4 2,-0.2 0.911 56.3 150.2 74.5 43.4 28.8 31.2 -9.2 188 215 A C - 0 0 27 -5,-0.4 2,-0.8 -4,-0.3 -22,-0.2 -0.470 57.7-107.1 -98.3 171.8 25.2 32.4 -9.7 189 216 A N E -h 166 0C 81 -24,-2.8 -22,-2.0 -2,-0.2 2,-0.4 -0.883 46.1-160.1 -96.9 97.4 23.5 35.6 -10.9 190 217 A L E +h 167 0C 4 -2,-0.8 19,-2.5 17,-0.4 2,-0.3 -0.713 15.5 175.7 -92.0 128.8 22.2 36.9 -7.6 191 218 A L E -hj 168 209C 13 -24,-2.8 -22,-2.0 -2,-0.4 2,-0.3 -0.946 4.6-173.1-125.4 147.9 19.5 39.5 -7.4 192 219 A Y E -hj 169 210C 0 17,-2.3 19,-2.8 -2,-0.3 2,-0.4 -0.997 10.8-160.5-142.7 148.9 17.7 40.9 -4.4 193 220 A H E +h 170 0C 42 -24,-2.1 -22,-2.6 -2,-0.3 2,-0.3 -0.992 28.6 137.9-125.2 137.6 14.8 43.2 -3.7 194 221 A D - 0 0 30 -2,-0.4 3,-0.1 -23,-0.2 -2,-0.0 -0.973 62.5-106.6-167.7 162.1 14.2 45.0 -0.5 195 222 A R S S+ 0 0 230 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.760 111.8 49.7 -64.2 -26.0 13.1 48.4 1.0 196 223 A L S S- 0 0 128 -3,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.968 82.6-137.7-124.8 119.0 16.7 48.9 1.8 197 224 A Q - 0 0 98 -2,-0.5 2,-0.0 1,-0.1 -4,-0.0 -0.492 28.5-116.3 -70.5 140.4 19.6 48.4 -0.6 198 225 A M - 0 0 15 -2,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.345 43.4 -81.9 -68.9 162.3 22.7 46.6 0.9 199 226 A A >> - 0 0 57 1,-0.1 4,-2.5 -2,-0.0 3,-0.6 -0.318 38.8-114.2 -61.9 146.1 26.0 48.6 1.1 200 227 A P H 3> S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.865 118.1 53.1 -49.7 -39.9 28.1 48.7 -2.1 201 228 A E H 3> S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.857 109.0 47.7 -65.8 -37.0 30.7 46.6 -0.3 202 229 A L H <> S+ 0 0 35 -3,-0.6 4,-2.1 2,-0.2 6,-0.4 0.864 110.6 51.7 -74.1 -35.8 28.2 43.9 0.7 203 230 A E H X S+ 0 0 34 -4,-2.5 4,-1.8 2,-0.2 5,-0.5 0.907 111.6 48.3 -62.4 -41.0 26.9 43.9 -2.9 204 231 A K H < S+ 0 0 85 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.937 111.7 48.8 -65.1 -45.4 30.4 43.4 -4.1 205 232 A E H < S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 122.9 31.8 -63.6 -38.5 31.2 40.6 -1.6 206 233 A T H < S- 0 0 4 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.663 99.3-132.5 -89.7 -19.5 28.0 38.6 -2.4 207 234 A G < + 0 0 38 -4,-1.8 -17,-0.4 1,-0.3 2,-0.3 0.583 54.7 152.6 72.2 11.8 27.9 39.7 -6.0 208 235 A A - 0 0 0 -5,-0.5 2,-0.4 -6,-0.4 -1,-0.3 -0.576 35.0-148.1 -81.6 135.2 24.2 40.4 -5.4 209 236 A K E -j 191 0C 91 -19,-2.5 -17,-2.3 -2,-0.3 2,-0.3 -0.870 14.2-124.6-107.0 133.0 22.5 43.1 -7.5 210 237 A F E -j 192 0C 44 -2,-0.4 2,-0.6 -19,-0.2 -17,-0.2 -0.533 18.6-165.9 -75.4 129.5 19.7 45.3 -6.2 211 238 A V - 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