==== 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 OXIDOREDUCTASE 26-APR-06 2GSD . COMPND 2 MOLECULE: NAD-DEPENDENT FORMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MORAXELLA SP.; . AUTHOR E.V.FILIPPOVA,K.M.POLYAKOV,T.V.TIKHONOVA,I.G.SADYKHOV,I.G.SH . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 4 4 0 0 1 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 5 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 . 2 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 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 1 A A 0 0 45 0, 0.0 68,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.7 48.5 -3.2 -1.7 2 2 A K E -ab 69 90A 19 87,-0.6 89,-2.3 66,-0.2 90,-1.6 -0.809 360.0-167.6 -88.0 125.5 50.3 -6.0 0.1 3 3 A V E -ab 70 92A 0 66,-3.2 68,-3.0 -2,-0.5 2,-0.5 -0.953 4.5-159.7-110.9 122.2 52.0 -5.0 3.5 4 4 A V E -ab 71 93A 0 88,-2.8 90,-3.0 -2,-0.5 2,-0.5 -0.904 6.8-170.5-103.7 126.0 54.4 -7.5 5.0 5 5 A C E -ab 72 94A 0 66,-3.3 68,-1.9 -2,-0.5 2,-0.6 -0.941 5.9-161.9-121.6 106.1 55.0 -7.0 8.7 6 6 A V E +ab 73 95A 0 88,-3.1 90,-0.5 -2,-0.5 2,-0.3 -0.790 23.1 164.7 -89.7 121.9 57.8 -9.1 10.3 7 7 A L - 0 0 0 66,-2.3 45,-0.2 -2,-0.6 46,-0.1 -0.845 37.0 -98.9-134.1 163.6 57.4 -9.2 14.1 8 8 A Y B -g 52 0B 40 43,-1.6 45,-1.9 -2,-0.3 67,-0.1 -0.429 49.9 -84.4 -84.1 166.2 58.9 -11.4 16.9 9 9 A D - 0 0 69 43,-0.2 -1,-0.1 65,-0.1 3,-0.1 -0.265 44.2-103.5 -61.2 152.5 57.1 -14.4 18.4 10 10 A D - 0 0 41 1,-0.1 5,-0.1 42,-0.1 -1,-0.1 -0.176 57.8 -72.1 -57.4 163.5 54.6 -14.1 21.3 11 11 A P > - 0 0 49 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.225 49.0-108.7 -60.0 155.5 55.9 -15.1 24.8 12 12 A I T 3 S+ 0 0 178 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.823 118.6 47.8 -62.7 -29.3 56.4 -18.9 25.3 13 13 A N T 3 S- 0 0 157 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.288 125.3 -86.8 -98.0 12.7 53.4 -19.2 27.6 14 14 A G < - 0 0 32 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.0 -0.288 55.1 -50.9 114.3 170.4 51.1 -17.3 25.3 15 15 A Y - 0 0 79 -5,-0.1 2,-0.1 -2,-0.1 -5,-0.0 -0.685 62.3-136.9 -82.4 118.9 50.0 -13.7 24.5 16 16 A P - 0 0 43 0, 0.0 33,-0.2 0, 0.0 3,-0.1 -0.346 24.6-169.6 -78.0 155.2 49.0 -12.0 27.7 17 17 A T S S+ 0 0 138 1,-0.1 2,-0.4 -2,-0.1 -2,-0.0 0.381 74.9 66.4-116.9 -4.8 46.0 -9.8 28.4 18 18 A S - 0 0 98 30,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.960 62.5-170.3-119.6 147.5 47.2 -8.7 31.8 19 19 A Y - 0 0 71 -2,-0.4 29,-0.1 2,-0.1 -2,-0.0 -0.741 37.4-106.3-126.3 164.4 50.3 -6.6 32.8 20 20 A A S S+ 0 0 119 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 0.826 104.9 27.7 -65.4 -33.3 52.2 -5.6 35.9 21 21 A R - 0 0 156 26,-0.1 -2,-0.1 1,-0.1 3,-0.0 -0.899 69.1-138.7-127.0 165.0 50.8 -2.0 35.8 22 22 A D S S+ 0 0 170 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.686 79.7 29.6 -93.2 -26.0 47.6 -0.5 34.5 23 23 A D - 0 0 107 24,-0.1 24,-0.1 3,-0.0 -1,-0.1 -0.931 66.4-127.5-135.0 155.4 48.9 2.7 32.9 24 24 A L - 0 0 31 -2,-0.3 3,-0.0 22,-0.1 -2,-0.0 -0.793 42.1 -99.0 -93.2 152.0 52.0 4.2 31.2 25 25 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.319 42.8-105.5 -57.2 149.7 53.5 7.5 32.4 26 26 A R - 0 0 198 -3,-0.0 2,-0.4 2,-0.0 -3,-0.0 -0.688 36.2-174.9 -80.3 131.3 52.5 10.6 30.4 27 27 A I - 0 0 87 -2,-0.4 3,-0.1 1,-0.1 9,-0.1 -0.998 8.3-168.8-124.5 129.9 55.2 12.1 28.2 28 28 A D - 0 0 140 -2,-0.4 8,-0.5 1,-0.3 2,-0.3 0.831 61.8 -28.5 -91.2 -35.7 54.4 15.4 26.3 29 29 A K S S- 0 0 117 6,-0.2 -1,-0.3 0, 0.0 6,-0.2 -0.948 71.4 -80.6-168.1 173.8 57.3 15.7 23.8 30 30 A Y > - 0 0 9 4,-2.5 3,-1.7 -2,-0.3 6,-0.1 -0.405 47.5-103.2 -87.8 162.2 60.9 14.8 23.2 31 31 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 170,-0.0 0.780 118.9 50.6 -62.3 -29.8 63.8 16.7 24.8 32 32 A D T 3 S- 0 0 93 2,-0.1 169,-0.0 1,-0.0 -2,-0.0 0.310 125.1 -97.9 -85.3 6.0 64.8 18.7 21.5 33 33 A G S < S+ 0 0 43 -3,-1.7 2,-0.1 1,-0.3 -1,-0.0 0.318 74.3 147.4 92.9 -6.5 61.2 19.7 21.0 34 34 A Q - 0 0 16 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.390 47.8-123.3 -61.4 137.1 60.2 17.1 18.4 35 35 A T - 0 0 77 -6,-0.2 -6,-0.2 1,-0.1 3,-0.1 -0.488 25.0-103.4 -79.3 154.8 56.5 16.1 18.9 36 36 A L - 0 0 39 -8,-0.5 -1,-0.1 1,-0.2 108,-0.0 -0.242 62.2 -63.0 -66.0 163.0 55.4 12.5 19.6 37 37 A P - 0 0 21 0, 0.0 -1,-0.2 0, 0.0 310,-0.1 -0.110 46.6-152.9 -51.2 151.2 53.9 10.6 16.6 38 38 A T + 0 0 84 -3,-0.1 309,-0.1 309,-0.1 2,-0.1 -0.452 25.0 163.0-128.2 58.4 50.6 12.1 15.2 39 39 A P - 0 0 26 0, 0.0 311,-0.1 0, 0.0 3,-0.1 -0.412 48.1-118.4 -72.3 159.7 48.6 9.3 13.6 40 40 A K S S- 0 0 134 1,-0.2 2,-0.3 309,-0.1 310,-0.0 0.806 89.5 -11.2 -69.4 -28.0 44.9 10.2 13.1 41 41 A A - 0 0 45 305,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.978 60.9-138.3-158.9 160.5 43.8 7.4 15.4 42 42 A I - 0 0 69 -2,-0.3 16,-0.1 -3,-0.1 17,-0.1 -0.995 0.3-161.1-124.5 143.0 45.2 4.3 17.2 43 43 A D + 0 0 68 15,-0.5 2,-0.3 -2,-0.4 18,-0.1 -0.200 66.0 76.7-109.2 38.4 43.5 0.9 17.5 44 44 A F S S- 0 0 29 13,-0.1 -2,-0.1 298,-0.0 6,-0.0 -0.914 79.9-109.1-138.6 170.8 45.5 -0.4 20.5 45 45 A T > - 0 0 106 -2,-0.3 3,-2.0 1,-0.0 -2,-0.1 -0.898 40.3-117.2-100.5 118.1 45.7 0.0 24.2 46 46 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.255 100.9 33.5 -52.7 136.8 48.9 1.8 25.4 47 47 A G T 3 S+ 0 0 14 291,-0.4 -26,-0.1 1,-0.4 292,-0.1 0.221 91.5 120.9 99.3 -12.9 51.0 -0.4 27.5 48 48 A A S < S- 0 0 15 -3,-2.0 2,-0.8 1,-0.1 -1,-0.4 -0.364 78.6 -92.7 -79.0 160.5 50.1 -3.6 25.6 49 49 A L + 0 0 24 -33,-0.2 -1,-0.1 1,-0.2 8,-0.1 -0.667 55.2 161.8 -75.2 110.7 52.6 -5.9 23.9 50 50 A L + 0 0 4 -2,-0.8 7,-2.6 1,-0.1 8,-0.2 0.671 56.8 65.4-107.2 -22.9 52.6 -4.6 20.3 51 51 A G S S+ 0 0 0 5,-0.2 -43,-1.6 285,-0.1 2,-0.2 0.395 82.9 85.9 -95.0 2.1 55.7 -5.9 18.7 52 52 A S B >> S-g 8 0B 0 -45,-0.2 4,-1.6 -3,-0.1 3,-1.3 -0.600 95.5 -97.4 -94.0 166.2 54.9 -9.6 18.7 53 53 A V T 34 S+ 0 0 34 -45,-1.9 -44,-0.1 1,-0.3 3,-0.1 0.825 124.2 48.1 -51.2 -40.9 53.0 -11.4 16.0 54 54 A S T 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 -45,-0.1 0.684 107.4 56.2 -81.2 -14.7 49.7 -11.2 18.0 55 55 A G T X4 S- 0 0 8 -3,-1.3 3,-2.3 2,-0.1 -1,-0.2 0.811 79.8-170.1 -78.0 -33.2 50.1 -7.5 18.8 56 56 A E G >< - 0 0 52 -4,-1.6 3,-1.8 1,-0.3 -5,-0.2 0.616 60.5 -84.1 57.4 17.0 50.4 -6.7 15.0 57 57 A L G 3 S- 0 0 2 -7,-2.6 -1,-0.3 -5,-0.4 292,-0.1 0.672 72.0 -80.9 54.5 21.5 51.5 -3.1 15.9 58 58 A G G < S+ 0 0 13 -3,-2.3 -15,-0.5 -8,-0.2 4,-0.3 0.792 104.8 123.5 57.7 30.8 47.7 -2.4 16.2 59 59 A L <> + 0 0 1 -3,-1.8 4,-2.1 -4,-0.1 5,-0.2 0.499 36.3 87.9 -99.7 -9.5 47.6 -2.1 12.3 60 60 A R H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.966 89.2 45.2 -62.2 -54.6 45.0 -4.7 11.1 61 61 A K H > S+ 0 0 158 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 115.2 48.6 -53.9 -56.6 41.8 -2.7 11.3 62 62 A Y H > S+ 0 0 11 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.923 116.6 41.2 -45.8 -52.5 43.3 0.4 9.7 63 63 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-1.0 0.939 116.3 45.8 -70.9 -46.2 44.9 -1.6 6.8 64 64 A E H ><5S+ 0 0 96 -4,-2.8 3,-2.9 1,-0.3 -1,-0.2 0.938 106.1 58.8 -65.0 -45.9 42.1 -4.0 6.0 65 65 A S H 3<5S+ 0 0 92 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.677 106.0 51.5 -57.3 -16.8 39.4 -1.3 6.1 66 66 A Q T <<5S- 0 0 104 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.398 123.9-106.0 -96.4 -0.8 41.4 0.5 3.3 67 67 A G T < 5S+ 0 0 64 -3,-2.9 -3,-0.2 1,-0.3 2,-0.2 0.595 75.4 136.0 86.1 13.1 41.4 -2.7 1.2 68 68 A H < - 0 0 34 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.586 54.1-123.9 -90.9 156.5 45.1 -3.6 1.8 69 69 A E E -a 2 0A 105 -68,-2.4 -66,-3.2 -2,-0.2 2,-0.6 -0.896 20.4-157.9 -99.7 119.0 46.4 -7.1 2.7 70 70 A L E -a 3 0A 10 -2,-0.6 2,-0.5 -68,-0.2 -66,-0.2 -0.887 5.8-169.7 -96.8 120.6 48.4 -7.4 6.0 71 71 A V E -a 4 0A 17 -68,-3.0 -66,-3.3 -2,-0.6 2,-0.5 -0.960 6.5-171.2-106.6 120.1 50.8 -10.4 6.2 72 72 A V E +a 5 0A 34 -2,-0.5 2,-0.3 -68,-0.2 -66,-0.2 -0.938 18.4 146.5-113.9 130.1 52.2 -10.9 9.7 73 73 A T E -a 6 0A 18 -68,-1.9 -66,-2.3 -2,-0.5 -2,-0.0 -0.990 45.3-153.4-153.5 158.1 54.9 -13.4 10.3 74 74 A S S S+ 0 0 23 -2,-0.3 2,-0.9 -68,-0.2 -65,-0.1 0.413 72.0 105.2-103.0 -4.6 58.1 -14.1 12.5 75 75 A S + 0 0 46 1,-0.2 8,-1.8 -67,-0.1 9,-0.1 -0.636 37.1 130.9 -83.4 103.8 59.5 -16.3 9.7 76 76 A K + 0 0 3 -2,-0.9 2,-0.3 6,-0.2 26,-0.2 0.620 41.2 72.9-132.2 -21.5 62.3 -14.2 8.2 77 77 A D S S+ 0 0 32 316,-0.1 3,-0.2 24,-0.1 5,-0.1 -0.839 76.6 35.5-110.8 144.3 65.7 -15.9 7.8 78 78 A G S > S- 0 0 18 -2,-0.3 3,-1.3 1,-0.1 6,-0.3 -0.062 91.6 -80.0 97.2 158.3 66.7 -18.6 5.3 79 79 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.650 127.0 49.6 -72.1 -15.6 65.7 -19.3 1.7 80 80 A D T 3 S+ 0 0 137 -3,-0.2 -2,-0.1 4,-0.1 -3,-0.1 0.085 81.7 129.6-107.9 20.3 62.3 -20.9 2.7 81 81 A S S <> S- 0 0 2 -3,-1.3 4,-1.2 1,-0.1 -5,-0.1 -0.277 70.9-116.0 -69.0 159.2 61.0 -18.2 5.1 82 82 A E H > S+ 0 0 60 2,-0.2 4,-0.6 1,-0.2 -6,-0.2 0.840 117.8 59.6 -57.6 -36.8 57.6 -16.7 4.8 83 83 A L H >> S+ 0 0 1 -8,-1.8 3,-1.9 1,-0.2 4,-0.9 0.958 100.4 54.3 -57.7 -48.1 59.3 -13.4 4.1 84 84 A E H 34 S+ 0 0 30 1,-0.3 3,-0.5 -6,-0.3 4,-0.4 0.847 105.6 54.1 -55.6 -35.3 60.9 -15.0 1.0 85 85 A K H 3< S+ 0 0 125 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.604 110.9 44.9 -74.7 -12.7 57.4 -16.1 -0.3 86 86 A H H XX S+ 0 0 28 -3,-1.9 3,-0.8 -4,-0.6 4,-0.7 0.493 85.6 89.9-113.7 -4.7 55.9 -12.6 -0.1 87 87 A L G >< S+ 0 0 2 -4,-0.9 3,-0.8 -3,-0.5 26,-0.3 0.858 73.3 70.8 -56.7 -42.7 58.7 -10.5 -1.7 88 88 A H G 34 S+ 0 0 107 -4,-0.4 25,-0.4 1,-0.2 -1,-0.2 0.771 117.7 15.8 -53.7 -35.0 57.5 -10.8 -5.3 89 89 A D G <4 S+ 0 0 52 -3,-0.8 -87,-0.6 23,-0.1 2,-0.3 0.239 88.3 130.8-127.7 14.7 54.4 -8.5 -4.7 90 90 A A E << +b 2 0A 0 -3,-0.8 -87,-0.2 -4,-0.7 23,-0.1 -0.520 27.2 179.9 -68.6 127.4 55.1 -6.7 -1.4 91 91 A E E S+ 0 0 50 -89,-2.3 24,-2.5 -2,-0.3 25,-1.8 0.804 74.6 26.7 -91.4 -36.6 54.6 -2.9 -1.7 92 92 A V E -bc 3 116A 0 -90,-1.6 -88,-2.8 23,-0.2 2,-0.5 -0.983 64.8-167.3-125.2 132.6 55.6 -2.1 2.0 93 93 A I E -bc 4 117A 3 23,-2.1 25,-3.0 -2,-0.4 2,-0.4 -0.996 8.9-171.9-121.1 127.1 57.9 -4.2 4.3 94 94 A I E +bc 5 118A 0 -90,-3.0 -88,-3.1 -2,-0.5 2,-0.3 -0.962 14.2 152.7-114.2 133.0 57.9 -3.4 8.1 95 95 A S E -bc 6 119A 4 23,-1.8 25,-2.7 -2,-0.4 -88,-0.1 -0.985 34.7-124.6-152.0 167.6 60.3 -4.9 10.6 96 96 A Q B > -H 99 0C 0 3,-0.6 3,-1.5 -90,-0.5 25,-0.2 -0.826 24.7-123.2-108.3 146.0 61.9 -4.0 14.0 97 97 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.803 110.2 65.4 -53.8 -30.9 65.6 -3.9 14.7 98 98 A F T 3 S+ 0 0 18 1,-0.3 234,-0.2 233,-0.0 -91,-0.1 0.732 123.8 14.3 -64.3 -26.4 65.0 -6.5 17.5 99 99 A W B < S-H 96 0C 30 -3,-1.5 -3,-0.6 -93,-0.1 -1,-0.3 -0.627 97.1-165.8-147.5 71.8 63.9 -9.1 15.0 100 100 A P - 0 0 4 0, 0.0 2,-0.9 0, 0.0 213,-0.1 -0.485 23.6-141.9 -87.1 134.7 65.0 -7.6 11.6 101 101 A A - 0 0 0 -2,-0.3 2,-0.6 -95,-0.1 -24,-0.1 -0.803 30.4-137.2 -82.3 106.4 64.0 -8.6 8.1 102 102 A Y - 0 0 12 -2,-0.9 2,-1.1 -26,-0.2 25,-0.2 -0.635 14.0-160.4 -72.6 114.5 67.4 -8.2 6.3 103 103 A L B +i 127 0D 6 23,-2.0 25,-2.5 -2,-0.6 29,-0.1 -0.740 20.5 178.8 -98.2 81.8 66.7 -6.5 2.9 104 104 A T > - 0 0 20 -2,-1.1 4,-2.3 23,-0.2 5,-0.2 -0.233 45.0 -98.3 -73.8 170.3 69.9 -7.4 1.0 105 105 A A H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 125.0 52.2 -57.9 -44.1 70.6 -6.4 -2.6 106 106 A E H > S+ 0 0 140 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.868 110.9 46.8 -62.6 -37.0 69.4 -9.8 -3.8 107 107 A R H 4 S+ 0 0 29 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.872 110.3 51.7 -74.5 -35.6 66.2 -9.6 -1.9 108 108 A I H >< S+ 0 0 8 -4,-2.3 3,-1.9 1,-0.2 6,-0.2 0.913 105.6 56.3 -65.7 -38.1 65.5 -6.0 -3.1 109 109 A A H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.726 104.4 54.0 -62.6 -25.7 66.0 -7.2 -6.7 110 110 A K T 3< S+ 0 0 100 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.384 96.5 74.7 -83.8 -2.1 63.3 -9.9 -6.1 111 111 A A X + 0 0 6 -3,-1.9 3,-1.9 1,-0.1 -1,-0.2 -0.591 50.4 163.4-118.3 70.5 60.8 -7.2 -5.0 112 112 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 0.712 78.3 47.7 -69.1 -22.0 59.6 -5.3 -8.1 113 113 A K T 3 S+ 0 0 125 -25,-0.4 2,-0.3 -26,-0.3 -24,-0.1 0.449 82.6 124.3 -91.6 1.4 56.6 -3.7 -6.4 114 114 A L < + 0 0 11 -3,-1.9 -23,-0.2 -6,-0.2 -22,-0.2 -0.468 17.8 151.3 -74.3 125.4 58.5 -2.5 -3.3 115 115 A K + 0 0 104 -24,-2.5 23,-2.7 -2,-0.3 2,-0.4 0.629 60.6 39.4-118.3 -31.5 58.3 1.2 -2.6 116 116 A L E -cd 92 138A 0 -25,-1.8 -23,-2.1 21,-0.2 2,-0.6 -0.983 49.8-170.6-133.8 120.9 58.7 1.6 1.2 117 117 A A E -cd 93 139A 3 21,-3.1 23,-1.9 -2,-0.4 2,-0.5 -0.958 23.2-164.0-104.2 115.0 61.0 -0.2 3.7 118 118 A L E -cd 94 140A 4 -25,-3.0 -23,-1.8 -2,-0.6 2,-0.8 -0.872 12.6-150.9-112.5 125.3 59.8 0.9 7.2 119 119 A T E -cd 95 141A 0 21,-3.3 2,-1.7 -2,-0.5 23,-0.9 -0.805 5.4-153.9 -94.7 111.1 61.8 0.5 10.4 120 120 A A S S+ 0 0 0 -25,-2.7 2,-0.3 -2,-0.8 224,-0.1 -0.623 82.1 10.9 -82.9 84.1 59.6 0.1 13.5 121 121 A G S S- 0 0 0 -2,-1.7 21,-2.1 -25,-0.2 2,-0.4 -0.968 109.4 -57.1 141.4-150.1 62.2 1.5 15.9 122 122 A I S S+ 0 0 37 -2,-0.3 -2,-0.1 19,-0.2 213,-0.1 -0.996 92.9 55.2-135.2 134.4 65.5 3.3 15.1 123 123 A G - 0 0 6 -2,-0.4 3,-0.3 -4,-0.1 -1,-0.1 0.510 46.7-164.7 108.5 105.7 68.5 2.1 12.9 124 124 A S > + 0 0 0 1,-0.2 3,-1.6 2,-0.1 -1,-0.1 0.099 52.9 117.4-111.5 24.9 67.9 1.0 9.3 125 125 A D T 3 + 0 0 18 1,-0.3 261,-0.3 3,-0.1 -1,-0.2 0.484 61.1 73.6 -70.6 -10.2 71.2 -0.8 8.8 126 126 A H T 3 S+ 0 0 7 -3,-0.3 -23,-2.0 2,-0.1 2,-0.4 0.424 89.5 73.3 -81.0 -4.2 69.5 -4.2 8.3 127 127 A V B < S-i 103 0D 5 -3,-1.6 2,-0.9 -25,-0.2 259,-0.3 -0.944 96.8-116.9-102.9 134.3 68.5 -2.7 4.9 128 128 A D > - 0 0 12 -25,-2.5 4,-1.8 -2,-0.4 257,-0.2 -0.643 29.9-165.6 -69.0 105.3 71.2 -2.4 2.2 129 129 A L H > S+ 0 0 8 -2,-0.9 4,-2.1 255,-0.7 256,-0.2 0.851 83.9 56.0 -70.5 -35.1 71.2 1.4 1.9 130 130 A Q H > S+ 0 0 68 254,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.942 110.4 46.6 -56.2 -49.4 73.2 1.4 -1.4 131 131 A A H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.826 110.2 51.8 -62.1 -36.7 70.6 -1.0 -3.0 132 132 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 239,-0.3 0.882 111.6 48.2 -69.0 -39.4 67.6 1.1 -1.7 133 133 A I H ><5S+ 0 0 17 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.983 113.7 47.4 -58.6 -55.7 69.2 4.2 -3.2 134 134 A D H 3<5S+ 0 0 112 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.805 116.3 42.9 -58.0 -37.2 69.8 2.3 -6.6 135 135 A N T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.256 110.3-116.8 -97.7 10.7 66.3 0.9 -6.8 136 136 A N T < 5 + 0 0 110 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.870 58.6 155.3 62.5 38.2 64.5 4.2 -5.7 137 137 A I < - 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0 0 3 0, 0.0 3,-2.2 0, 0.0 80,-0.1 -0.177 35.5-108.6 -49.5 148.9 73.2 -18.2 17.0 317 317 A N T 3 S+ 0 0 70 1,-0.3 79,-0.1 78,-0.3 -2,-0.1 0.741 119.7 41.5 -52.8 -29.0 72.8 -20.3 20.1 318 318 A D T 3 S+ 0 0 138 4,-0.0 -1,-0.3 3,-0.0 5,-0.1 0.060 76.2 146.8-109.4 22.1 76.6 -20.7 20.5 319 319 A H X - 0 0 6 -3,-2.2 3,-1.7 1,-0.2 4,-0.3 -0.406 54.2-128.2 -54.6 129.6 77.5 -17.0 19.7 320 320 A P G >> S+ 0 0 33 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.686 100.5 70.9 -64.9 -18.3 80.6 -16.5 21.9 321 321 A W G 34 S+ 0 0 4 1,-0.2 8,-0.2 2,-0.2 -2,-0.1 0.739 87.6 68.8 -68.4 -18.2 79.3 -13.3 23.5 322 322 A R G <4 S+ 0 0 100 -3,-1.7 -1,-0.2 1,-0.2 5,-0.1 0.819 115.7 19.7 -65.5 -30.8 76.8 -15.4 25.4 323 323 A T T <4 S+ 0 0 125 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.393 88.9 126.2-127.2 -1.8 79.4 -17.1 27.6 324 324 A M S >< S- 0 0 9 -4,-1.2 3,-0.5 1,-0.1 -30,-0.0 -0.208 70.8 -84.0 -58.3 155.9 82.5 -14.9 27.5 325 325 A P T 3 S+ 0 0 48 0, 0.0 -20,-0.1 0, 0.0 -1,-0.1 -0.283 102.7 4.4 -63.9 143.0 84.0 -13.8 30.9 326 326 A H T 3 S+ 0 0 88 1,-0.2 -21,-1.7 -22,-0.1 2,-0.3 0.868 88.5 151.1 57.7 49.1 82.6 -10.7 32.7 327 327 A N B < -o 305 0E 42 -3,-0.5 -21,-0.2 -23,-0.2 -1,-0.2 -0.834 37.6-167.0-113.2 150.8 79.7 -9.9 30.4 328 328 A G + 0 0 11 -23,-2.0 -22,-0.1 -2,-0.3 -167,-0.1 -0.123 34.3 161.1-124.4 40.3 76.4 -8.3 31.2 329 329 A M - 0 0 28 -8,-0.2 -21,-0.2 -24,-0.2 -2,-0.1 -0.168 18.9-178.3 -62.8 148.9 74.5 -9.1 27.9 330 330 A T - 0 0 34 -23,-1.9 4,-0.1 1,-0.0 -2,-0.1 -0.908 38.4 -99.0-125.7 162.7 70.8 -9.1 27.2 331 331 A P - 0 0 89 0, 0.0 2,-1.5 0, 0.0 3,-0.2 -0.261 69.1 -65.5 -63.9 173.8 69.1 -10.0 23.9 332 332 A H S S+ 0 0 21 -234,-0.2 -23,-0.1 1,-0.2 -24,-0.1 -0.456 93.1 122.0 -73.3 92.2 68.1 -6.9 21.9 333 333 A I > + 0 0 78 -2,-1.5 3,-1.7 2,-0.1 -1,-0.2 0.600 32.7 89.6-126.5 -17.8 65.5 -5.3 24.2 334 334 A S G > S+ 0 0 7 1,-0.3 3,-0.9 -3,-0.2 6,-0.1 0.891 94.7 47.0 -64.0 -36.9 66.2 -1.8 25.3 335 335 A G G 3 S+ 0 0 2 1,-0.2 -1,-0.3 -186,-0.1 -2,-0.1 0.480 109.5 56.8 -83.6 2.9 64.4 -0.1 22.4 336 336 A T G < + 0 0 16 -3,-1.7 -1,-0.2 4,-0.1 -2,-0.2 -0.003 67.1 139.0-127.3 32.5 61.3 -2.4 22.8 337 337 A S S <> S- 0 0 48 -3,-0.9 4,-2.4 1,-0.1 3,-0.3 -0.325 71.3-104.3 -59.5 159.5 60.3 -1.8 26.4 338 338 A L H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -291,-0.4 0.844 122.0 56.3 -62.0 -32.8 56.5 -1.5 26.6 339 339 A S H > S+ 0 0 47 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.909 109.7 43.3 -65.6 -45.1 56.7 2.2 26.9 340 340 A A H >> S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 3,-0.5 0.867 105.1 65.3 -67.9 -38.3 58.7 2.6 23.7 341 341 A Q H 3X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.3 5,-0.3 0.877 98.6 52.9 -55.9 -40.3 56.4 0.1 21.8 342 342 A T H 3X S+ 0 0 24 -4,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.869 110.7 47.9 -66.1 -31.0 53.4 2.5 22.1 343 343 A R H S+ 0 0 5 -4,-2.0 5,-2.6 -5,-0.2 4,-0.4 0.948 115.3 48.7 -60.6 -50.1 51.0 9.7 5.0 355 355 A Y H ><5S+ 0 0 56 -4,-2.8 3,-0.9 3,-0.2 -2,-0.2 0.927 115.6 40.8 -56.4 -52.2 52.2 7.1 2.5 356 356 A F H 3<5S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.6 48.7 -71.5 -36.7 48.8 5.8 1.6 357 357 A E T 3<5S- 0 0 77 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.362 113.8-113.6 -81.3 3.1 47.1 9.3 1.5 358 358 A G T < 5S+ 0 0 72 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.763 70.1 137.4 64.4 29.3 49.8 10.8 -0.6 359 359 A R < - 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