==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-OCT-05 2B6F . COMPND 2 MOLECULE: SULFIREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.GRUSCHUS,D.-Y.LEE,J.A.FERRETTI,S.G.RHEE . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.9 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 0.8 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 . 11 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 A G 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.9 6.7 -13.5 -12.1 2 18 A A + 0 0 87 3,-0.0 2,-0.9 1,-0.0 0, 0.0 -0.224 360.0 161.1-160.8 60.4 9.8 -11.9 -13.7 3 19 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.003 70.3 40.2 -75.7 33.9 11.6 -14.4 -16.1 4 20 A E - 0 0 177 -2,-0.9 0, 0.0 0, 0.0 0, 0.0 -0.983 61.4-177.3-170.1 163.3 13.4 -11.5 -17.8 5 21 A G - 0 0 55 -2,-0.3 68,-0.0 1,-0.2 -3,-0.0 -0.941 33.2-101.6-158.3 178.6 15.1 -8.1 -17.1 6 22 A P - 0 0 144 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.921 53.7-114.3 -75.4 -93.9 16.8 -5.1 -18.7 7 23 A G - 0 0 47 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.971 37.4 -48.9 170.4 179.2 20.6 -5.3 -18.5 8 24 A P + 0 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.532 56.7 141.1 -75.4 134.0 23.8 -3.6 -17.0 9 25 A S + 0 0 125 1,-0.3 2,-0.1 -2,-0.3 0, 0.0 0.122 67.1 24.9-161.3 27.3 24.0 0.2 -17.4 10 26 A G S S- 0 0 60 3,-0.0 2,-1.9 10,-0.0 -1,-0.3 -0.425 75.8-117.3 166.7 113.2 25.5 1.6 -14.2 11 27 A G + 0 0 60 1,-0.2 9,-0.2 -2,-0.1 8,-0.1 -0.376 44.8 163.4 -62.8 87.7 27.7 -0.0 -11.5 12 28 A A > + 0 0 77 -2,-1.9 3,-1.4 2,-0.1 -1,-0.2 0.929 54.9 71.9 -75.6 -44.1 25.1 0.3 -8.7 13 29 A Q T 3 S+ 0 0 168 1,-0.3 3,-0.1 -3,-0.2 92,-0.0 -0.478 113.3 9.8 -71.9 140.2 26.9 -2.2 -6.4 14 30 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.728 93.1 162.8 65.3 16.5 30.1 -0.9 -4.9 15 31 A G < - 0 0 37 -3,-1.4 -1,-0.2 5,-0.1 -3,-0.1 -0.461 37.3-122.6 -69.5 137.7 29.1 2.5 -6.3 16 32 A S > - 0 0 90 -2,-0.2 2,-2.3 1,-0.1 3,-1.4 -0.084 40.9 -81.5 -70.1 179.0 31.1 5.4 -4.7 17 33 A I T 3 S+ 0 0 179 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 -0.248 128.1 45.5 -79.1 55.3 29.3 8.3 -3.0 18 34 A H T 3 S+ 0 0 174 -2,-2.3 -1,-0.2 2,-0.1 3,-0.1 0.307 88.0 85.2-169.5 -7.5 28.7 10.0 -6.4 19 35 A S S < S- 0 0 73 -3,-1.4 2,-0.3 1,-0.1 -2,-0.1 0.903 98.3 -62.8 -71.4 -94.7 27.4 7.3 -8.7 20 36 A G + 0 0 51 -4,-0.2 2,-0.3 -9,-0.2 -1,-0.1 -0.914 64.3 138.9-161.7 131.5 23.6 6.9 -8.3 21 37 A R - 0 0 126 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.0 -0.959 28.6-154.7-170.0 151.9 21.4 5.8 -5.4 22 38 A I + 0 0 126 -2,-0.3 2,-0.6 2,-0.0 -2,-0.0 -0.818 17.9 172.0-139.6 98.5 18.1 6.7 -3.7 23 39 A A + 0 0 61 -2,-0.4 2,-0.2 79,-0.0 79,-0.1 -0.916 23.5 127.3-110.4 117.6 17.6 5.8 -0.0 24 40 A A - 0 0 41 -2,-0.6 77,-1.5 75,-0.1 2,-0.2 -0.860 62.1 -59.4-151.7-174.3 14.5 7.1 1.7 25 41 A V E +A 100 0A 75 -2,-0.2 2,-0.3 75,-0.2 75,-0.2 -0.502 54.8 177.9 -75.5 144.1 11.5 6.1 3.8 26 42 A H E -A 99 0A 96 73,-1.0 73,-1.7 -2,-0.2 2,-1.3 -0.997 36.3-120.0-149.0 143.9 9.2 3.5 2.1 27 43 A N E -A 98 0A 107 -2,-0.3 73,-0.0 71,-0.2 -2,-0.0 -0.665 36.1-169.0 -84.1 95.5 6.0 1.6 3.1 28 44 A V E -A 97 0A 8 69,-1.6 69,-1.3 -2,-1.3 5,-0.1 -0.762 29.2-106.4 -89.3 124.7 7.2 -2.0 2.8 29 45 A P E > -A 96 0A 58 0, 0.0 3,-1.1 0, 0.0 67,-0.2 -0.096 16.3-135.3 -47.4 139.7 4.4 -4.6 3.0 30 46 A L G > S+ 0 0 28 65,-1.5 3,-1.3 1,-0.2 66,-0.1 0.825 103.2 66.0 -67.1 -29.4 4.2 -6.6 6.3 31 47 A S G 3 S+ 0 0 115 64,-0.4 -1,-0.2 1,-0.2 65,-0.1 0.693 101.6 47.5 -68.1 -17.0 3.7 -9.8 4.3 32 48 A V G < S+ 0 0 60 -3,-1.1 45,-0.5 2,-0.0 2,-0.3 0.107 81.6 120.4-112.2 24.9 7.2 -9.5 2.8 33 49 A L E < -b 77 0A 27 -3,-1.3 2,-0.6 43,-0.1 45,-0.1 -0.697 52.9-146.4 -88.8 138.5 9.2 -8.8 6.0 34 50 A I E +b 78 0A 44 43,-1.5 45,-1.7 -2,-0.3 -2,-0.0 -0.898 26.0 164.1-108.5 115.5 11.9 -11.4 6.9 35 51 A R + 0 0 77 -2,-0.6 45,-0.1 43,-0.1 43,-0.1 -0.818 8.4 165.0-132.5 95.8 12.4 -12.0 10.6 36 52 A P + 0 0 66 0, 0.0 -1,-0.1 0, 0.0 44,-0.0 -0.028 62.0 78.0 -97.0 29.1 14.4 -15.2 11.5 37 53 A L S S- 0 0 104 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.697 70.9-151.9-141.2 87.8 15.1 -14.2 15.1 38 54 A P - 0 0 120 0, 0.0 2,-0.3 0, 0.0 45,-0.0 0.104 17.2-168.3 -49.1 169.4 12.1 -14.6 17.6 39 55 A S - 0 0 71 44,-0.1 2,-0.8 45,-0.0 -2,-0.0 -0.988 28.7-101.1-158.2 165.3 11.9 -12.3 20.6 40 56 A V - 0 0 140 -2,-0.3 2,-0.3 2,-0.0 44,-0.1 -0.818 40.1-160.4 -96.2 110.2 10.0 -11.8 23.9 41 57 A L - 0 0 86 -2,-0.8 -2,-0.0 42,-0.1 42,-0.0 -0.676 8.9-139.9 -92.8 146.6 7.3 -9.2 23.5 42 58 A D > - 0 0 68 -2,-0.3 4,-1.3 1,-0.1 5,-0.2 -0.863 3.7-148.1-103.1 133.4 5.7 -7.3 26.4 43 59 A P H > S+ 0 0 98 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.722 98.1 50.3 -75.0 -19.6 1.9 -6.7 26.2 44 60 A A H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.1 -2,-0.0 0.848 109.4 49.5 -85.7 -35.5 2.1 -3.4 28.1 45 61 A K H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.833 109.4 52.1 -73.3 -29.9 4.9 -1.9 25.9 46 62 A V H X S+ 0 0 10 -4,-1.3 4,-3.4 1,-0.2 5,-0.3 0.882 105.2 56.5 -73.1 -34.9 3.0 -2.8 22.7 47 63 A Q H X S+ 0 0 81 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.912 103.8 53.3 -62.7 -40.2 -0.1 -1.0 24.0 48 64 A S H X S+ 0 0 73 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.923 114.5 41.3 -62.7 -40.8 1.9 2.2 24.5 49 65 A L H X S+ 0 0 39 -4,-1.4 4,-2.2 2,-0.2 5,-0.3 0.942 110.7 55.5 -72.9 -45.4 3.1 2.0 20.8 50 66 A V H X S+ 0 0 15 -4,-3.4 4,-1.4 1,-0.3 -1,-0.2 0.847 108.4 52.0 -55.8 -29.8 -0.4 1.0 19.5 51 67 A D H X S+ 0 0 80 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.875 106.4 51.9 -75.9 -36.7 -1.6 4.1 21.3 52 68 A T H X S+ 0 0 48 -4,-1.4 4,-4.2 -3,-0.3 7,-0.2 0.969 111.5 45.3 -65.3 -50.7 0.9 6.4 19.6 53 69 A I H < S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 118.6 44.0 -60.2 -38.9 0.1 5.2 16.1 54 70 A R H < S+ 0 0 173 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.822 123.8 35.5 -77.1 -29.8 -3.7 5.5 16.9 55 71 A E H < S- 0 0 157 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.845 141.1 -1.4 -91.8 -37.6 -3.3 8.9 18.6 56 72 A D >< - 0 0 67 -4,-4.2 3,-0.6 -5,-0.3 -1,-0.2 -0.694 54.3-177.7-155.7 97.6 -0.5 10.4 16.4 57 73 A P T 3 S+ 0 0 79 0, 0.0 3,-0.4 0, 0.0 -4,-0.1 0.526 83.0 65.1 -75.5 -3.3 1.0 8.4 13.4 58 74 A D T 3 S+ 0 0 141 1,-0.2 -5,-0.1 -6,-0.2 -6,-0.0 0.790 90.2 60.8 -89.6 -28.8 3.4 11.3 12.7 59 75 A S S < S+ 0 0 81 -3,-0.6 -1,-0.2 -7,-0.2 -6,-0.1 0.168 88.0 91.3 -83.6 23.4 5.4 11.1 15.9 60 76 A V - 0 0 18 -3,-0.4 -1,-0.1 -8,-0.1 -11,-0.0 -0.905 66.9-155.6-120.7 103.4 6.5 7.5 15.0 61 77 A P - 0 0 87 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.290 24.0 -98.7 -74.9 162.8 9.8 7.3 13.0 62 78 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 37,-0.2 -0.181 33.5-119.2 -73.4 170.4 10.7 4.4 10.6 63 79 A I E -c 99 0A 12 35,-0.8 37,-2.4 18,-0.1 2,-0.4 -0.694 30.0 -98.8-108.1 163.9 12.9 1.4 11.5 64 80 A D E +c 100 0A 97 -2,-0.2 16,-0.6 35,-0.2 2,-0.4 -0.675 44.4 178.3 -84.6 132.7 16.2 0.4 9.9 65 81 A V E -cD 101 79A 1 35,-1.9 37,-1.5 -2,-0.4 2,-0.4 -0.997 25.3-128.4-136.4 137.9 15.8 -2.4 7.3 66 82 A L E -cD 102 78A 12 12,-2.3 12,-2.2 -2,-0.4 2,-0.7 -0.705 15.4-153.9 -88.5 133.3 18.5 -4.0 5.1 67 83 A W E +cD 103 77A 48 35,-2.1 37,-2.1 -2,-0.4 2,-0.4 -0.895 25.3 164.0-108.3 107.7 17.7 -4.2 1.4 68 84 A I E - D 0 76A 6 8,-2.0 8,-2.6 -2,-0.7 2,-0.3 -0.953 23.5-146.9-126.6 145.6 19.6 -7.2 -0.3 69 85 A K E - D 0 75A 87 -2,-0.4 6,-0.2 35,-0.3 37,-0.1 -0.753 13.4-133.3-108.7 156.6 19.1 -8.9 -3.7 70 86 A G > - 0 0 17 4,-1.4 3,-1.1 -2,-0.3 51,-0.3 -0.173 44.7 -78.2 -94.4-168.1 19.6 -12.5 -4.6 71 87 A A T 3 S+ 0 0 82 49,-1.2 50,-0.2 1,-0.3 -1,-0.0 0.578 131.6 44.5 -70.5 -6.5 21.4 -14.1 -7.6 72 88 A Q T 3 S- 0 0 143 49,-3.1 -1,-0.3 2,-0.1 3,-0.1 -0.092 122.2 -95.1-130.0 39.1 18.2 -13.4 -9.7 73 89 A G S < S+ 0 0 41 -3,-1.1 2,-0.2 1,-0.2 -2,-0.1 0.358 72.0 154.8 68.8 -12.9 17.3 -9.8 -8.6 74 90 A G - 0 0 21 47,-0.7 -4,-1.4 -5,-0.1 2,-0.3 -0.257 39.1-141.2 -50.4 108.4 14.9 -11.3 -6.1 75 91 A D E - D 0 69A 65 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.558 20.8-171.9 -76.5 136.4 14.7 -8.4 -3.6 76 92 A Y E - D 0 68A 70 -8,-2.6 -8,-2.0 -2,-0.3 2,-0.6 -0.994 12.5-148.2-131.8 130.6 14.6 -9.6 0.1 77 93 A F E -bD 33 67A 42 -45,-0.5 -43,-1.5 -2,-0.4 2,-0.4 -0.872 13.5-167.7-104.3 120.5 14.0 -7.3 3.1 78 94 A Y E -bD 34 66A 12 -12,-2.2 -12,-2.3 -2,-0.6 2,-0.4 -0.869 1.2-168.2-107.1 137.6 15.7 -8.2 6.3 79 95 A S E + D 0 65A 4 -45,-1.7 2,-0.4 -2,-0.4 -14,-0.1 -0.983 11.3 177.6-127.5 133.0 14.8 -6.5 9.7 80 96 A F + 0 0 56 -16,-0.6 2,-0.3 -2,-0.4 -16,-0.1 -0.792 64.6 8.1-134.5 90.7 16.7 -6.8 13.0 81 97 A G S S+ 0 0 33 -2,-0.4 -18,-0.1 -18,-0.1 -2,-0.0 -0.898 81.6 87.9 135.3-163.9 15.1 -4.7 15.7 82 98 A G > + 0 0 27 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 0.793 53.5 149.0 45.4 24.3 11.8 -2.7 16.0 83 99 A C H >> S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.971 71.8 41.2 -53.4 -56.2 10.4 -6.1 17.2 84 100 A H H 3> S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 110.4 59.4 -61.7 -34.0 7.8 -4.4 19.5 85 101 A R H 3> S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 102.5 53.9 -63.9 -31.4 7.2 -1.8 16.7 86 102 A Y H S+ 0 0 26 -4,-1.8 5,-1.6 2,-0.2 -2,-0.2 0.927 117.4 48.3 -68.5 -42.9 1.6 -2.4 13.4 90 106 A Q H ><5S+ 0 0 106 -4,-3.5 3,-1.1 1,-0.2 -2,-0.2 0.879 111.1 51.1 -66.2 -35.5 0.7 -6.1 13.1 91 107 A Q H 3<5S+ 0 0 90 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.892 102.5 59.0 -70.3 -36.8 -2.0 -5.8 15.8 92 108 A L T 3<5S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.380 108.6-127.4 -74.0 11.1 -3.5 -2.7 14.1 93 109 A Q T < 5 + 0 0 175 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.897 49.0 170.3 45.4 43.1 -4.1 -5.1 11.1 94 110 A R < - 0 0 108 -5,-1.6 -1,-0.1 1,-0.1 -64,-0.1 -0.414 38.7-134.5 -81.6 160.9 -2.4 -2.5 8.9 95 111 A E S S+ 0 0 168 1,-0.1 -65,-1.5 -2,-0.1 -64,-0.4 0.894 80.5 5.6 -84.3 -42.6 -1.4 -3.3 5.3 96 112 A T E -A 29 0A 41 -67,-0.2 -1,-0.1 -66,-0.1 -69,-0.1 -0.805 63.9-138.4-133.8 177.0 2.2 -1.9 5.3 97 113 A I E -A 28 0A 2 -69,-1.3 -69,-1.6 -2,-0.2 2,-0.2 -0.999 26.5-109.4-139.1 140.6 4.8 -0.3 7.7 98 114 A P E +A 27 0A 31 0, 0.0 -35,-0.8 0, 0.0 2,-0.3 -0.466 47.0 165.0 -67.9 131.3 7.2 2.6 7.4 99 115 A A E -Ac 26 63A 0 -73,-1.7 -73,-1.0 -37,-0.2 2,-0.4 -0.952 38.4-123.6-152.1 129.4 10.8 1.4 7.1 100 116 A K E -Ac 25 64A 86 -37,-2.4 -35,-1.9 -2,-0.3 2,-0.4 -0.568 29.5-140.7 -72.7 123.9 14.0 3.1 6.1 101 117 A L E - c 0 65A 19 -77,-1.5 2,-0.4 -2,-0.4 -35,-0.2 -0.691 19.3-174.5 -87.9 136.5 15.6 1.0 3.2 102 118 A V E - c 0 66A 51 -37,-1.5 -35,-2.1 -2,-0.4 -79,-0.0 -0.910 26.4-126.1-133.0 107.3 19.4 0.7 3.3 103 119 A Q E + c 0 67A 85 -2,-0.4 2,-0.2 -37,-0.2 -35,-0.2 -0.229 43.6 168.2 -50.3 132.4 21.2 -1.0 0.4 104 120 A S - 0 0 16 -37,-2.1 -35,-0.3 3,-0.0 2,-0.3 -0.799 27.9-122.1-138.8-178.8 23.4 -3.8 1.9 105 121 A T >> - 0 0 83 -2,-0.2 4,-1.3 -37,-0.1 3,-0.8 -0.878 33.4-104.3-127.4 160.5 25.4 -6.9 0.8 106 122 A L H 3> S+ 0 0 93 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.837 118.6 66.9 -54.6 -27.6 25.2 -10.6 1.7 107 123 A S H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.956 95.6 53.1 -59.8 -47.1 28.4 -9.9 3.8 108 124 A D H <> S+ 0 0 53 -3,-0.8 4,-1.0 1,-0.3 -1,-0.2 0.906 107.0 53.8 -55.9 -37.2 26.4 -7.7 6.2 109 125 A L H X S+ 0 0 0 -4,-1.3 4,-3.8 1,-0.2 3,-0.4 0.880 101.4 58.6 -67.7 -32.2 23.9 -10.6 6.6 110 126 A R H X S+ 0 0 185 -4,-1.7 4,-1.2 -3,-0.5 -1,-0.2 0.901 97.8 60.7 -64.0 -35.2 26.8 -12.9 7.5 111 127 A V H < S+ 0 0 108 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.896 118.6 29.0 -58.9 -36.0 27.6 -10.6 10.5 112 128 A Y H < S+ 0 0 117 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.895 141.5 18.7 -90.0 -47.5 24.1 -11.4 11.8 113 129 A L H < + 0 0 28 -4,-3.8 2,-2.9 -5,-0.2 4,-0.5 -0.264 69.3 153.9-118.0 45.8 23.5 -14.9 10.4 114 130 A G S < S+ 0 0 51 -4,-1.2 -4,-0.1 1,-0.2 -1,-0.1 0.071 82.1 32.7 -65.3 37.9 27.1 -16.0 9.7 115 131 A A S S+ 0 0 98 -2,-2.9 -1,-0.2 3,-0.0 -2,-0.1 0.317 120.1 39.2-154.9 -53.8 25.8 -19.6 10.2 116 132 A S S S+ 0 0 100 -6,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.091 77.7 143.5 -99.1 36.2 22.2 -20.1 9.1 117 133 A T - 0 0 47 -4,-0.5 -7,-0.0 -7,-0.1 -3,-0.0 -0.653 38.1-150.2 -78.3 121.7 22.5 -17.9 6.0 118 134 A P - 0 0 72 0, 0.0 2,-0.8 0, 0.0 -1,-0.0 -0.064 24.6 -96.5 -78.8-174.0 20.4 -19.3 3.1 119 135 A D - 0 0 131 -49,-0.0 -49,-0.1 -48,-0.0 -2,-0.0 -0.829 38.2-148.2-109.9 95.5 21.2 -19.0 -0.7 120 136 A L 0 0 22 -2,-0.8 -49,-1.2 1,-0.1 -51,-0.1 -0.319 360.0 360.0 -62.3 142.6 19.2 -16.0 -2.1 121 137 A Q 0 0 83 -51,-0.3 -49,-3.1 -50,-0.2 -47,-0.7 0.242 360.0 360.0-129.9 360.0 18.1 -16.4 -5.7