==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAY-01 1H50 . COMPND 2 MOLECULE: PENTAERYTHRITOL TETRANITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR T.M.BARNA,P.C.E.MOODY . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 1 1 1 2 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 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 . 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 S 0 0 108 0, 0.0 5,-0.2 0, 0.0 337,-0.1 0.000 360.0 360.0 360.0 -28.2 40.0 4.5 44.8 2 2 A A - 0 0 38 3,-0.1 304,-0.0 2,-0.1 335,-0.0 -0.323 360.0-100.9 66.8-145.9 36.6 6.1 45.5 3 3 A E S S- 0 0 145 -2,-0.0 -1,-0.1 4,-0.0 3,-0.0 0.467 89.9 -0.9-138.4 -70.9 34.1 4.2 47.6 4 4 A K S > S+ 0 0 83 1,-0.1 3,-1.9 2,-0.1 15,-0.2 0.608 102.6 87.8-109.3 -16.1 31.2 2.3 46.1 5 5 A L T 3 S+ 0 0 0 1,-0.3 14,-3.3 13,-0.1 15,-0.3 0.763 94.4 48.4 -54.5 -26.1 31.6 2.9 42.3 6 6 A F T 3 S+ 0 0 33 12,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.060 90.5 101.2-109.2 33.6 33.9 -0.2 42.3 7 7 A T S < S- 0 0 47 -3,-1.9 9,-0.1 1,-0.1 -3,-0.0 -0.877 78.9 -93.6-115.3 147.5 31.7 -2.6 44.2 8 8 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.134 36.3-166.7 -59.8 154.8 29.6 -5.4 42.6 9 9 A L E -A 16 0A 17 7,-2.9 7,-3.0 9,-0.2 2,-0.6 -0.973 20.0-131.3-146.7 126.5 25.9 -4.9 41.8 10 10 A K E -A 15 0A 144 -2,-0.3 2,-0.6 5,-0.2 5,-0.3 -0.691 24.1-173.8 -79.8 120.0 23.3 -7.5 40.9 11 11 A V E > -A 14 0A 1 3,-3.0 3,-2.1 -2,-0.6 256,-0.1 -0.847 53.4 -73.1-117.5 93.3 21.5 -6.3 37.7 12 12 A G T 3 S- 0 0 21 -2,-0.6 217,-0.2 254,-0.4 216,-0.1 -0.380 118.3 -1.7 59.4-126.0 18.6 -8.6 37.0 13 13 A A T 3 S+ 0 0 37 215,-2.7 2,-0.3 163,-0.2 -1,-0.3 0.519 131.1 54.3 -75.2 -7.3 20.0 -11.9 35.7 14 14 A V E < S-A 11 0A 21 -3,-2.1 -3,-3.0 214,-0.3 2,-0.5 -0.815 72.0-131.0-126.1 168.5 23.6 -10.8 35.8 15 15 A T E -A 10 0A 88 -2,-0.3 -5,-0.2 -5,-0.3 -2,-0.0 -0.971 14.8-150.3-123.5 119.1 26.1 -9.3 38.3 16 16 A A E -A 9 0A 1 -7,-3.0 -7,-2.9 -2,-0.5 36,-0.1 -0.686 9.1-145.7 -85.1 137.8 28.2 -6.3 37.4 17 17 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.600 82.4 12.1 -78.9 -11.5 31.6 -6.1 39.2 18 18 A N S S- 0 0 13 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.942 73.4-117.8-154.0 170.1 31.5 -2.3 39.4 19 19 A R S S+ 0 0 36 -14,-3.3 301,-2.3 -2,-0.3 2,-0.9 0.171 77.2 108.8-103.6 18.7 28.9 0.5 38.9 20 20 A V E -b 320 0B 0 -15,-0.3 32,-2.6 299,-0.2 33,-0.5 -0.833 51.9-175.9 -97.2 100.4 30.7 2.2 36.1 21 21 A F E -bc 321 53B 0 299,-2.9 301,-2.8 -2,-0.9 2,-0.7 -0.658 27.8-122.8 -99.9 155.2 28.5 1.5 33.0 22 22 A M E -bc 322 54B 1 31,-2.6 33,-1.9 -2,-0.2 301,-0.2 -0.860 32.0-132.8 -97.3 116.2 29.0 2.4 29.4 23 23 A A - 0 0 5 299,-2.4 2,-0.2 -2,-0.7 32,-0.1 -0.267 32.7 -89.3 -66.0 152.8 26.0 4.4 28.1 24 24 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.472 51.8-170.2 -64.4 129.5 24.4 3.5 24.8 25 25 A L - 0 0 25 30,-0.4 2,-0.3 -2,-0.2 32,-0.3 -0.911 19.5-144.3-134.5 109.8 26.2 5.5 22.1 26 26 A T + 0 0 31 -2,-0.4 45,-0.1 1,-0.2 33,-0.0 -0.530 27.3 165.3 -67.7 123.1 25.2 5.8 18.5 27 27 A R - 0 0 1 -2,-0.3 325,-2.1 43,-0.1 -1,-0.2 0.447 34.8-140.8-119.6 -7.5 28.4 5.8 16.4 28 28 A L + 0 0 1 323,-0.2 325,-0.2 1,-0.1 43,-0.2 0.838 59.5 126.2 47.9 49.3 26.9 5.2 12.9 29 29 A R + 0 0 16 41,-0.4 12,-0.1 323,-0.2 42,-0.1 0.190 31.8 125.0-118.3 16.2 29.7 2.8 11.7 30 30 A S - 0 0 3 40,-2.4 2,-0.3 1,-0.1 5,-0.1 -0.284 66.7 -97.2 -73.8 161.7 27.6 -0.2 10.6 31 31 A I B >> -K 36 0C 85 5,-2.9 5,-1.9 3,-0.1 4,-0.8 -0.587 41.2-126.5 -82.0 138.7 27.8 -1.7 7.1 32 32 A E T 45S+ 0 0 62 -2,-0.3 2,-0.1 2,-0.2 37,-0.0 -0.991 86.7 49.1-128.7 138.4 25.2 -0.7 4.5 33 33 A P T 45S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 0.506 128.5 22.4 -71.7 156.2 23.5 -2.4 2.8 34 34 A G T 45S- 0 0 33 1,-0.2 39,-0.2 -2,-0.1 -2,-0.2 0.166 96.6-115.2 109.1 -18.0 22.2 -4.5 5.7 35 35 A D T <5 + 0 0 16 -4,-0.8 38,-2.0 1,-0.2 -3,-0.2 0.933 57.8 176.5 48.9 50.6 22.9 -2.3 8.7 36 36 A I B < -K 31 0C 40 -5,-1.9 -5,-2.9 -3,-0.2 -1,-0.2 -0.734 33.2-120.8 -96.4 131.0 25.4 -4.9 9.8 37 37 A P - 0 0 6 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 -0.277 37.2-141.0 -60.6 153.7 27.6 -4.7 12.8 38 38 A T > - 0 0 16 1,-0.1 4,-2.1 45,-0.0 5,-0.1 -0.725 23.6-110.7-121.2 168.0 31.3 -4.9 11.9 39 39 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.873 120.7 56.7 -61.5 -34.5 34.6 -6.4 13.2 40 40 A L H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.920 106.0 48.4 -62.5 -44.2 35.7 -2.8 14.0 41 41 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 108.8 55.7 -62.8 -36.3 32.6 -2.4 16.2 42 42 A G H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 108.1 46.7 -62.0 -41.6 33.5 -5.7 17.8 43 43 A E H X S+ 0 0 101 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.911 109.6 55.0 -65.9 -43.0 37.0 -4.4 18.7 44 44 A Y H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.920 112.2 42.1 -55.5 -49.0 35.5 -1.2 20.0 45 45 A Y H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.896 111.9 54.9 -67.9 -39.3 33.2 -3.0 22.4 46 46 A R H >< S+ 0 0 107 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.882 101.6 57.7 -62.2 -37.9 35.9 -5.5 23.4 47 47 A Q H 3< S+ 0 0 60 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.756 110.8 45.1 -63.3 -23.3 38.2 -2.6 24.4 48 48 A R T X< S+ 0 0 0 -3,-0.9 3,-1.8 -4,-0.6 -1,-0.3 0.214 75.8 116.1-106.2 15.3 35.5 -1.5 26.8 49 49 A A T < + 0 0 5 -3,-1.6 47,-0.2 1,-0.3 -1,-0.2 0.556 60.3 73.8 -63.2 -9.7 34.7 -4.9 28.3 50 50 A S T 3 S+ 0 0 59 280,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.558 71.3 113.9 -82.8 -4.4 35.9 -3.9 31.8 51 51 A A S < S- 0 0 0 -3,-1.8 45,-0.4 279,-0.1 3,-0.2 -0.293 82.2-119.2 -61.3 148.7 32.8 -1.7 32.2 52 52 A G S S- 0 0 0 -32,-2.6 2,-0.3 1,-0.3 -31,-0.2 0.893 99.3 -7.0 -56.5 -37.6 30.4 -3.0 34.9 53 53 A L E -c 21 0B 3 -33,-0.5 -31,-2.6 -37,-0.1 2,-0.5 -0.938 68.2-143.0-158.3 134.4 27.9 -3.2 32.0 54 54 A I E -cd 22 97B 0 42,-2.5 44,-3.2 -2,-0.3 2,-0.6 -0.888 11.6-161.5 -99.8 130.5 28.1 -2.2 28.4 55 55 A I E - d 0 98B 0 -33,-1.9 -30,-0.4 -2,-0.5 44,-0.2 -0.971 24.2-130.8-110.8 119.6 24.9 -0.8 26.9 56 56 A S E - 0 0 0 42,-3.2 3,-0.1 -2,-0.6 -30,-0.1 -0.100 27.0 -83.5 -67.7 167.9 25.2 -0.9 23.1 57 57 A E E - 0 0 2 -32,-0.3 43,-0.6 -33,-0.2 -1,-0.1 -0.293 69.2 -74.0 -62.3 154.7 24.4 1.8 20.6 58 58 A A E - d 0 100B 1 41,-0.1 2,-0.4 -3,-0.1 43,-0.2 -0.309 57.7-161.1 -56.0 132.5 20.7 2.0 19.7 59 59 A T E - d 0 101B 0 41,-2.7 43,-2.3 -3,-0.1 14,-0.3 -0.971 18.8-109.7-125.5 132.7 19.8 -0.9 17.4 60 60 A Q E -ed 73 102B 0 12,-2.7 14,-2.0 -2,-0.4 43,-0.2 -0.310 12.0-158.9 -62.2 136.2 16.8 -1.3 15.1 61 61 A I S S- 0 0 5 41,-1.5 2,-0.3 12,-0.2 -1,-0.1 0.623 82.4 -1.3 -85.0 -15.4 14.1 -3.8 16.0 62 62 A S S S- 0 0 14 40,-0.3 4,-0.4 1,-0.1 3,-0.2 -0.950 80.0 -98.2-161.0 172.0 13.0 -3.8 12.4 63 63 A A S > S+ 0 0 44 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.893 123.1 56.6 -68.8 -37.4 13.9 -2.2 9.0 64 64 A Q T 3 S+ 0 0 47 1,-0.3 56,-0.3 49,-0.1 -1,-0.2 0.818 96.0 66.3 -61.6 -30.6 11.1 0.3 9.5 65 65 A A T 3 S+ 0 0 0 -3,-0.2 39,-2.3 38,-0.1 -1,-0.3 0.663 77.7 114.5 -65.3 -17.8 12.7 1.3 12.9 66 66 A K < + 0 0 18 -3,-1.5 43,-0.3 -4,-0.4 46,-0.1 -0.309 22.3 149.8 -62.1 133.1 15.6 2.8 11.0 67 67 A G + 0 0 0 1,-0.2 2,-0.4 41,-0.2 65,-0.2 0.438 60.2 55.9-137.4 -13.1 16.2 6.5 11.2 68 68 A Y S > S- 0 0 11 63,-0.1 3,-1.6 44,-0.1 2,-0.3 -0.990 77.3-124.4-130.6 131.0 20.0 6.9 10.9 69 69 A A T 3 S+ 0 0 2 63,-2.7 -37,-0.1 -2,-0.4 283,-0.1 -0.544 101.6 26.7 -69.9 129.7 22.3 5.7 8.1 70 70 A G T 3 S+ 0 0 0 1,-0.4 -40,-2.4 -2,-0.3 -41,-0.4 0.255 87.3 125.0 102.6 -14.7 25.0 3.5 9.8 71 71 A A < - 0 0 2 -3,-1.6 -1,-0.4 -43,-0.2 -12,-0.1 -0.630 59.7-122.0 -79.5 136.8 22.9 2.4 12.8 72 72 A P - 0 0 0 0, 0.0 -12,-2.7 0, 0.0 2,-0.2 -0.296 19.5-145.9 -78.7 163.1 22.8 -1.4 13.2 73 73 A G B -e 60 0B 0 -38,-2.0 -12,-0.2 -14,-0.3 -10,-0.1 -0.749 14.3-159.0-120.7 170.0 19.8 -3.6 13.3 74 74 A L S S+ 0 0 0 -14,-2.0 95,-0.2 -2,-0.2 96,-0.1 -0.249 74.5 84.4-141.3 44.3 18.9 -6.9 15.1 75 75 A H S S+ 0 0 58 94,-0.1 -14,-0.1 -13,-0.0 -12,-0.1 0.591 75.6 68.6-120.3 -20.7 16.1 -8.1 12.8 76 76 A S S > S- 0 0 20 -42,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.618 81.3-116.9-104.4 162.7 18.0 -10.0 10.0 77 77 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.903 116.0 49.9 -59.7 -44.4 20.0 -13.2 9.9 78 78 A E H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.863 111.1 49.5 -64.6 -36.9 23.2 -11.4 8.9 79 79 A Q H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 110.7 49.7 -67.9 -46.0 22.7 -8.9 11.8 80 80 A I H X S+ 0 0 20 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.929 111.1 49.5 -57.9 -45.9 22.2 -11.6 14.3 81 81 A A H X S+ 0 0 52 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.902 112.2 48.4 -60.5 -42.0 25.3 -13.5 13.1 82 82 A A H >X S+ 0 0 11 -4,-2.0 4,-1.4 1,-0.2 3,-0.7 0.933 110.6 49.2 -65.1 -48.2 27.4 -10.3 13.4 83 83 A W H 3X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.837 102.6 63.3 -60.9 -34.2 26.2 -9.4 16.9 84 84 A K H 3X S+ 0 0 81 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.854 104.0 48.4 -59.4 -34.2 26.9 -12.9 18.1 85 85 A K H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 3,-0.6 0.901 113.2 47.2 -64.5 -41.3 32.9 -9.0 25.1 91 91 A H H ><5S+ 0 0 66 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.823 102.6 62.7 -70.7 -30.2 32.4 -12.3 27.0 92 92 A A H 3<5S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.6 46.4 -64.0 -25.5 35.8 -13.5 26.1 93 93 A E T <<5S- 0 0 90 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.216 124.0-110.0 -98.8 11.2 37.0 -10.4 28.1 94 94 A D T < 5S+ 0 0 126 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.782 73.8 134.9 66.6 30.9 34.6 -11.3 30.9 95 95 A G < - 0 0 4 -5,-2.7 2,-0.4 -8,-0.1 -1,-0.2 -0.381 49.8-129.0-100.7-178.4 32.3 -8.4 30.3 96 96 A R - 0 0 36 -45,-0.4 -42,-2.5 -47,-0.2 2,-0.4 -0.993 21.1-168.7-132.3 138.5 28.5 -8.0 30.1 97 97 A I E -d 54 0B 0 -2,-0.4 79,-2.6 -44,-0.2 80,-0.9 -0.992 8.7-166.4-137.3 133.8 26.6 -6.3 27.3 98 98 A A E -df 55 177B 0 -44,-3.2 -42,-3.2 -2,-0.4 2,-0.5 -0.861 20.8-133.0-110.4 147.3 23.0 -5.2 26.9 99 99 A V E - f 0 178B 0 78,-1.8 80,-2.9 -2,-0.3 2,-0.6 -0.890 11.9-141.2-103.3 128.8 21.6 -4.2 23.5 100 100 A Q E -df 58 179B 4 -43,-0.6 -41,-2.7 -2,-0.5 2,-0.4 -0.812 21.1-158.9 -88.9 121.6 19.6 -1.0 23.4 101 101 A L E +df 59 180B 0 78,-2.5 80,-2.7 -2,-0.6 2,-0.3 -0.856 18.3 164.8-104.4 135.1 16.6 -1.6 21.0 102 102 A W E -d 60 0B 0 -43,-2.3 -41,-1.5 -2,-0.4 2,-0.4 -0.917 37.1-150.1-144.5 169.5 14.7 1.3 19.4 103 103 A H - 0 0 3 78,-0.3 84,-2.2 -2,-0.3 85,-0.4 -0.972 19.8-152.4-135.5 122.1 12.3 2.4 16.7 104 104 A T > - 0 0 0 -39,-2.3 3,-2.0 -2,-0.4 -38,-0.1 0.696 23.1-176.2 -73.8 -19.4 13.2 6.0 15.6 105 105 A G T 3 - 0 0 1 1,-0.3 -1,-0.2 81,-0.2 16,-0.2 -0.363 69.9 -1.4 59.8-131.7 9.7 6.9 14.7 106 106 A R T 3 S+ 0 0 12 1,-0.2 2,-1.8 79,-0.1 21,-0.4 0.535 113.8 87.2 -69.5 -8.9 9.5 10.4 13.1 107 107 A I S < S+ 0 0 0 -3,-2.0 2,-0.3 78,-0.1 -1,-0.2 -0.593 81.6 81.5 -90.1 74.8 13.3 11.0 13.6 108 108 A S S S- 0 0 0 -2,-1.8 38,-1.9 38,-0.3 2,-0.3 -0.873 72.7-119.8-158.1-175.3 13.9 9.4 10.3 109 109 A H > - 0 0 37 -43,-0.3 3,-1.9 -2,-0.3 4,-0.2 -0.997 20.8-125.7-143.4 139.9 14.0 10.0 6.5 110 110 A S G > S+ 0 0 34 -2,-0.3 3,-1.7 1,-0.3 6,-0.2 0.823 104.3 70.1 -54.8 -33.5 12.0 8.4 3.7 111 111 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 5,-0.1 4,-0.1 0.673 106.7 37.1 -61.7 -18.0 15.2 7.6 1.8 112 112 A I G < S+ 0 0 29 -3,-1.9 -1,-0.3 5,-0.1 -2,-0.2 0.236 98.2 99.3-117.2 13.2 16.2 5.0 4.4 113 113 A Q S X S- 0 0 15 -3,-1.7 3,-2.2 -4,-0.2 -49,-0.1 -0.598 91.7 -82.9 -93.5 157.8 12.7 3.6 5.1 114 114 A P G > S+ 0 0 67 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.413 118.5 4.4 -61.6 132.4 11.4 0.4 3.5 115 115 A G G 3 S- 0 0 70 1,-0.3 3,-0.1 -2,-0.1 -4,-0.1 0.495 119.3 -86.1 72.1 1.1 10.1 1.3 -0.0 116 116 A G G < S+ 0 0 37 -3,-2.2 -1,-0.3 1,-0.2 -6,-0.1 0.729 87.9 145.8 70.8 21.9 11.3 4.9 0.5 117 117 A Q < - 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0 0 10 18,-0.3 2,-0.3 -4,-0.1 -1,-0.2 -0.393 21.8-155.1 -75.4 154.5 27.9 12.7 35.5 304 304 A T > - 0 0 70 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.847 32.7-110.5-121.0 158.6 31.3 12.9 37.3 305 305 A A H > S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.894 121.2 54.5 -57.8 -37.1 32.7 10.1 39.4 306 306 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 107.5 47.7 -62.9 -44.5 32.1 12.4 42.4 307 307 A K H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.893 111.9 51.1 -64.1 -39.6 28.4 12.9 41.6 308 308 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.938 110.9 47.2 -62.8 -48.2 28.0 9.2 41.1 309 309 A E H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.911 112.1 51.9 -59.9 -43.2 29.6 8.4 44.5 310 310 A D H X S+ 0 0 77 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.951 115.6 38.5 -58.9 -52.9 27.4 11.1 46.1 311 311 A L H <>S+ 0 0 8 -4,-2.5 5,-2.4 2,-0.2 6,-0.9 0.834 117.2 49.7 -70.1 -34.7 24.1 9.8 44.8 312 312 A I H ><5S+ 0 0 11 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.894 110.2 52.5 -69.7 -37.9 25.0 6.1 45.1 313 313 A G H 3<5S+ 0 0 41 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.817 106.4 52.6 -65.8 -31.3 26.1 6.8 48.7 314 314 A K T 3<5S- 0 0 91 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.447 114.8-119.7 -82.8 -1.0 22.7 8.5 49.4 315 315 A G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.747 81.1 119.8 68.7 25.3 21.0 5.3 48.1 316 316 A L S > S+ 0 0 19 -2,-0.5 4,-1.6 -301,-0.2 3,-1.2 0.823 72.9 26.7 -98.2 -82.4 28.8 8.3 27.5 324 324 A R H 3> S+ 0 0 93 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.821 118.6 57.8 -55.3 -35.9 31.4 10.6 26.2 325 325 A D H 3> S+ 0 0 42 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.844 107.8 49.3 -65.3 -30.3 34.0 9.6 28.7 326 326 A Y H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.820 103.9 58.4 -77.2 -30.1 33.6 6.0 27.5 327 327 A I H < S+ 0 0 5 -4,-1.6 34,-0.3 1,-0.2 -2,-0.2 0.953 118.1 32.8 -60.7 -45.3 34.0 7.1 23.9 328 328 A A H < S+ 0 0 0 -4,-1.9 15,-0.2 1,-0.2 -2,-0.2 0.565 121.5 47.9 -89.5 -9.8 37.4 8.5 24.8 329 329 A N >< - 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0 0 58 -215,-0.4 -1,-0.1 -325,-0.2 2,-0.1 -0.559 69.5 -86.0 91.7-154.4 33.8 7.4 9.9 354 354 A G S S- 0 0 33 2,-0.3 5,-0.1 -2,-0.2 -325,-0.0 -0.145 72.2 -30.9-129.7-136.6 36.1 4.6 10.7 355 355 A A S >>>S+ 0 0 45 3,-0.1 3,-2.3 2,-0.1 4,-1.7 0.844 103.3 95.0 -61.7 -36.9 38.7 3.5 13.2 356 356 A E T 345S+ 0 0 142 1,-0.3 -2,-0.3 2,-0.2 5,-0.0 -0.389 101.5 7.7 -61.4 127.4 39.9 7.1 13.8 357 357 A G T 345S+ 0 0 0 -2,-0.1 -1,-0.3 1,-0.1 -11,-0.1 0.636 129.7 65.4 75.3 15.3 38.1 8.5 16.9 358 358 A Y T <45S+ 0 0 0 -3,-2.3 3,-0.3 -30,-0.0 -2,-0.2 0.612 118.0 7.0-129.2 -65.9 36.7 5.1 17.5 359 359 A T T <5S+ 0 0 24 -4,-1.7 -3,-0.1 1,-0.1 -4,-0.1 0.218 112.9 94.5-106.4 11.5 39.2 2.3 18.4 360 360 A D < + 0 0 74 -5,-0.8 -1,-0.1 2,-0.1 -4,-0.1 0.547 53.1 94.2 -75.5 -25.6 41.7 5.2 18.5 361 361 A Y S S- 0 0 5 -3,-0.3 2,-0.0 -34,-0.3 -32,-0.0 -0.697 71.8-133.4 -81.8 119.8 41.7 6.1 22.2 362 362 A P - 0 0 77 0, 0.0 -31,-0.2 0, 0.0 2,-0.2 -0.295 7.6-129.7 -75.1 157.4 44.5 4.3 24.1 363 363 A S 0 0 62 -33,-0.1 -31,-0.0 -34,-0.1 -34,-0.0 -0.550 360.0 360.0 -94.9 165.3 44.2 2.5 27.5 364 364 A L 0 0 131 -2,-0.2 -1,-0.1 -33,-0.1 0, 0.0 0.841 360.0 360.0 -55.0 360.0 46.6 3.2 30.3