==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-SEP-09 3JYQ . COMPND 2 MOLECULE: QUINATE/SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR A.HOEPPNER,D.SCHOMBURG,K.NIEFIND . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.2 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 . 2 0.7 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 . 1 0.4 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 1 1 0 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 3 2 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL 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 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 N 0 0 170 0, 0.0 31,-0.5 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 5.5 -4.2 41.4 9.1 2 3 A D - 0 0 135 29,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.242 360.0-110.7 -56.7 133.9 -4.3 45.2 8.5 3 4 A S - 0 0 89 28,-0.1 2,-0.4 1,-0.1 30,-0.2 -0.215 27.5-135.4 -68.1 153.9 -2.3 46.4 5.4 4 5 A I E -a 33 0A 8 28,-2.6 30,-2.5 19,-0.1 2,-0.5 -0.940 13.1-163.6-120.4 135.3 0.8 48.4 5.9 5 6 A L E +a 34 0A 44 -2,-0.4 58,-3.3 56,-0.2 59,-1.0 -0.979 21.0 154.9-126.6 120.7 1.8 51.5 3.9 6 7 A L E +ab 35 64A 0 28,-2.7 30,-2.5 -2,-0.5 2,-0.3 -0.868 12.1 179.0-137.6 164.0 5.3 52.9 3.9 7 8 A G E -ab 36 65A 0 57,-0.8 59,-2.9 28,-0.3 2,-0.4 -0.977 24.4-123.9-159.9 177.1 7.6 55.0 1.7 8 9 A L E -ab 37 66A 11 28,-1.9 30,-2.7 -2,-0.3 2,-0.5 -0.989 17.2-154.9-129.8 119.8 11.0 56.5 1.3 9 10 A I E +ab 38 67A 0 57,-2.5 59,-2.6 -2,-0.4 2,-0.3 -0.818 48.9 88.1 -99.2 125.8 11.5 60.3 0.7 10 11 A G E S-a 39 0A 0 28,-1.8 30,-2.3 -2,-0.5 2,-0.4 -0.970 71.2 -72.2 175.6-169.9 14.7 61.2 -1.1 11 12 A Q S S+ 0 0 73 58,-1.8 58,-0.1 -2,-0.3 28,-0.1 -0.953 98.7 9.4-116.9 133.3 16.5 61.7 -4.4 12 13 A G S S+ 0 0 56 -2,-0.4 3,-0.3 1,-0.1 -1,-0.2 0.978 70.5 157.0 71.2 59.3 17.5 59.0 -6.9 13 14 A L > + 0 0 9 -3,-0.2 3,-1.8 1,-0.2 -1,-0.1 0.338 30.6 108.9-101.4 2.3 15.8 56.0 -5.4 14 15 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.2 3,-0.0 23,-0.0 0.829 84.9 43.1 -56.3 -36.6 15.3 53.6 -8.3 15 16 A L T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.399 80.3 129.8 -95.7 4.3 17.9 51.1 -7.0 16 17 A S < - 0 0 26 -3,-1.8 4,-0.3 1,-0.2 21,-0.1 -0.341 42.9-162.0 -57.8 136.1 17.0 51.1 -3.4 17 18 A R S > S+ 0 0 25 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 0.467 73.9 88.3 -93.2 -2.5 16.5 47.6 -1.9 18 19 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.921 81.9 53.4 -68.9 -44.2 14.6 49.0 1.1 19 20 A P H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.935 110.1 48.1 -56.9 -45.6 11.1 48.9 -0.6 20 21 A A H > S+ 0 0 30 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.876 109.1 53.8 -61.3 -41.5 11.5 45.2 -1.5 21 22 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.947 113.6 41.0 -58.1 -45.2 12.7 44.2 2.0 22 23 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.902 114.1 51.3 -73.2 -40.8 9.7 45.8 3.7 23 24 A E H X S+ 0 0 69 -4,-2.7 4,-1.9 -5,-0.3 10,-0.3 0.917 113.1 45.6 -63.1 -42.9 7.1 44.6 1.2 24 25 A A H X S+ 0 0 41 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.905 114.1 48.0 -67.1 -40.5 8.4 41.0 1.4 25 26 A E H X S+ 0 0 2 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.893 109.6 52.0 -72.6 -39.1 8.6 41.0 5.2 26 27 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.9 0.969 112.8 46.1 -54.4 -49.9 5.1 42.5 5.7 27 28 A L H ><5S+ 0 0 117 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.897 106.9 57.4 -63.7 -39.2 3.7 39.8 3.4 28 29 A A H 3<5S+ 0 0 50 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.785 108.0 48.8 -61.9 -25.1 5.6 37.0 5.2 29 30 A Q T <<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.170 128.2 -98.2-102.5 17.9 3.9 38.2 8.5 30 31 A G T < 5S+ 0 0 37 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.724 87.5 118.9 77.9 25.8 0.5 38.1 6.8 31 32 A R < - 0 0 63 -5,-2.5 2,-0.3 -6,-0.2 -2,-0.2 -0.985 63.8-130.9-124.0 117.4 0.2 41.9 6.1 32 33 A A - 0 0 59 -31,-0.5 -28,-2.6 -2,-0.5 2,-0.4 -0.564 36.9-165.9 -61.3 129.4 -0.1 43.2 2.5 33 34 A T E -a 4 0A 13 -2,-0.3 2,-0.5 -10,-0.3 -28,-0.2 -0.976 19.7-167.7-133.2 126.5 2.5 45.9 2.4 34 35 A V E -a 5 0A 58 -30,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.974 5.2-177.0-108.2 131.7 3.2 48.7 -0.0 35 36 A Y E -a 6 0A 3 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.3 -0.956 12.8-166.1-128.7 106.6 6.4 50.6 0.2 36 37 A R E -a 7 0A 145 -30,-2.5 -28,-1.9 -2,-0.5 2,-0.2 -0.814 20.9-128.5 -97.8 137.5 6.7 53.4 -2.3 37 38 A R E -a 8 0A 99 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.529 16.5-162.8 -66.4 139.7 9.7 55.4 -3.4 38 39 A I E -a 9 0A 28 -30,-2.7 -28,-1.8 -2,-0.2 2,-0.7 -0.793 19.8-178.3-126.5 80.2 8.8 59.2 -3.0 39 40 A D E > -a 10 0A 22 -2,-0.4 3,-2.0 -30,-0.2 6,-0.7 -0.770 26.0-159.9 -98.8 113.9 11.6 60.5 -5.3 40 41 A T T 3 S+ 0 0 10 -30,-2.3 7,-0.6 -2,-0.7 -29,-0.2 0.516 95.9 56.2 -75.7 0.6 11.9 64.2 -5.7 41 42 A L T 3 S+ 0 0 115 -31,-0.3 -1,-0.3 5,-0.1 2,-0.1 0.504 99.7 83.0 -93.8 -11.6 13.9 63.7 -8.9 42 43 A G S <> S- 0 0 25 -3,-2.0 4,-1.5 1,-0.1 -4,-0.0 -0.322 93.5 -97.6 -93.6 178.7 11.0 61.6 -10.4 43 44 A S T 4 S+ 0 0 118 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.808 114.1 47.7 -65.3 -32.4 7.8 62.3 -12.1 44 45 A R T 4 S+ 0 0 237 1,-0.1 -1,-0.2 -5,-0.1 -4,-0.1 0.965 124.4 19.4 -75.3 -52.1 5.5 62.0 -9.1 45 46 A A T >4 S+ 0 0 7 -6,-0.7 3,-1.7 2,-0.0 -2,-0.2 0.387 81.4 134.3-110.0 4.8 7.2 64.1 -6.4 46 47 A S T 3< S+ 0 0 62 -4,-1.5 -5,-0.1 -7,-0.2 3,-0.1 -0.241 74.8 16.1 -66.2 139.3 9.6 66.5 -8.2 47 48 A G T 3 S+ 0 0 74 -7,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.299 94.0 127.9 86.5 -12.0 9.6 70.2 -7.0 48 49 A Q < - 0 0 88 -3,-1.7 -1,-0.3 -8,-0.1 2,-0.1 -0.623 60.6-120.0 -83.8 141.5 7.7 69.4 -3.9 49 50 A D > - 0 0 118 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.401 24.1-114.3 -72.0 150.0 9.0 70.6 -0.6 50 51 A L H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 117.0 54.6 -51.9 -44.1 9.8 68.0 2.1 51 52 A K H > S+ 0 0 115 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.874 105.3 53.3 -60.8 -39.8 7.0 69.3 4.3 52 53 A T H > S+ 0 0 64 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.902 112.4 44.6 -58.4 -43.1 4.4 68.9 1.5 53 54 A L H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.880 113.4 49.0 -74.8 -40.8 5.5 65.2 1.0 54 55 A L H X S+ 0 0 3 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.951 113.3 47.3 -60.7 -51.6 5.5 64.5 4.8 55 56 A D H X S+ 0 0 32 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.917 108.0 56.8 -57.3 -41.3 2.1 66.0 5.2 56 57 A A H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.913 105.4 51.3 -54.8 -48.4 0.8 64.0 2.2 57 58 A A H X>S+ 0 0 3 -4,-1.9 5,-2.3 1,-0.2 4,-0.6 0.872 109.7 50.3 -61.4 -35.0 1.9 60.8 3.9 58 59 A L H ><5S+ 0 0 43 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.963 112.6 45.0 -65.6 -47.9 0.0 61.8 7.0 59 60 A Y H 3<5S+ 0 0 175 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.832 111.9 53.5 -65.1 -32.7 -3.2 62.6 5.1 60 61 A L H 3<5S- 0 0 123 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.461 117.1-102.4 -87.2 -6.5 -3.0 59.4 3.0 61 62 A G T <<5 + 0 0 44 -3,-1.1 -56,-0.2 -4,-0.6 -3,-0.2 0.663 57.1 166.0 90.5 23.2 -2.7 56.8 5.7 62 63 A F < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.2 -56,-0.2 -0.399 26.8-156.7 -64.8 145.4 1.0 56.0 5.7 63 64 A N - 0 0 53 -58,-3.3 34,-2.1 1,-0.3 2,-0.3 0.600 69.2 -14.8 -97.4 -12.4 2.2 54.1 8.7 64 65 A G E -bC 6 96A 0 -59,-1.0 -57,-0.8 32,-0.2 2,-0.3 -0.970 55.0-147.9-178.9 162.8 5.8 55.2 8.4 65 66 A L E -bC 7 95A 0 30,-2.5 30,-3.3 -2,-0.3 2,-0.3 -0.995 10.0-143.2-139.1 148.0 8.5 56.6 6.2 66 67 A N E -bC 8 94A 4 -59,-2.9 -57,-2.5 -2,-0.3 2,-0.4 -0.777 20.7-152.6 -99.1 156.9 12.2 56.3 5.7 67 68 A I E +b 9 0A 4 26,-1.8 2,-0.2 -2,-0.3 -57,-0.2 -0.996 18.7 169.6-130.0 130.6 14.1 59.5 4.8 68 69 A T > - 0 0 44 -59,-2.6 3,-2.6 -2,-0.4 4,-0.1 -0.685 36.4 -1.7-128.9-173.0 17.3 59.6 2.9 69 70 A H T 3 S+ 0 0 129 1,-0.3 -58,-1.8 -2,-0.2 -1,-0.1 -0.250 119.9 14.9 -54.3 138.1 19.6 62.2 1.2 70 71 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.820 125.9 53.2 -98.8 31.5 19.2 65.2 1.1 71 72 A Y <> + 0 0 28 -3,-2.6 4,-2.0 -62,-0.2 -2,-0.2 0.400 67.7 99.7-112.5 4.1 16.5 65.2 3.8 72 73 A K T 4 S+ 0 0 35 1,-0.2 20,-2.6 2,-0.2 4,-0.2 0.720 97.7 32.7 -73.3 -21.7 17.8 63.5 6.9 73 74 A Q T >4 S+ 0 0 151 18,-0.2 3,-1.1 -3,-0.2 -1,-0.2 0.805 116.3 55.6 -89.5 -43.8 18.6 66.7 8.7 74 75 A A T 34 S+ 0 0 54 -4,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.778 99.2 63.6 -60.3 -28.3 15.9 68.9 7.2 75 76 A V T >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.797 81.9 79.7 -69.9 -28.1 13.2 66.6 8.4 76 77 A L G X S+ 0 0 31 -3,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.869 90.7 48.1 -53.6 -50.7 13.8 67.0 12.2 77 78 A P G 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.632 106.7 60.7 -67.3 -12.7 12.0 70.3 12.7 78 79 A L G < S+ 0 0 59 -3,-1.6 2,-0.2 -4,-0.3 -2,-0.2 0.542 90.9 86.7 -84.8 -11.1 9.0 69.0 10.8 79 80 A L S < S- 0 0 18 -3,-1.7 25,-0.1 -4,-0.5 3,-0.1 -0.604 73.4-136.0 -96.5 153.9 8.4 66.1 13.2 80 81 A D S S+ 0 0 92 23,-0.4 2,-0.3 -2,-0.2 24,-0.2 0.859 89.8 6.9 -70.5 -39.3 6.3 66.0 16.4 81 82 A E E -d 104 0A 115 22,-1.6 24,-2.7 -5,-0.0 2,-0.4 -0.982 62.3-162.9-144.6 149.6 9.0 64.0 18.3 82 83 A V E -d 105 0A 28 -2,-0.3 24,-0.2 22,-0.2 13,-0.0 -0.997 29.2-110.9-137.3 134.8 12.5 62.8 17.7 83 84 A S > - 0 0 32 22,-2.8 4,-2.6 -2,-0.4 5,-0.2 -0.104 32.3-110.9 -58.1 159.7 14.4 60.1 19.5 84 85 A E H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 117.0 49.0 -64.5 -41.8 17.3 61.2 21.7 85 86 A Q H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 113.8 44.8 -63.0 -45.3 19.9 59.6 19.4 86 87 A A H >>S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-1.4 0.881 113.4 52.7 -67.9 -34.2 18.4 61.1 16.2 87 88 A T H <5S+ 0 0 55 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.953 112.2 43.5 -64.0 -48.5 18.1 64.4 18.0 88 89 A Q H <5S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.2 45.7 -70.5 -36.1 21.7 64.5 19.1 89 90 A L H <5S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.781 102.4-135.3 -68.1 -31.1 23.0 63.3 15.8 90 91 A G T <5S+ 0 0 27 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.805 70.1 102.0 75.4 30.2 20.8 65.7 14.0 91 92 A A < - 0 0 16 -5,-1.4 2,-0.4 -6,-0.2 -18,-0.2 -0.980 47.5-171.1-151.2 129.0 19.7 63.1 11.5 92 93 A V + 0 0 0 -20,-2.6 15,-0.2 -2,-0.3 -17,-0.2 -0.977 14.0 167.4-120.4 131.5 16.5 61.0 11.1 93 94 A N + 0 0 6 13,-1.9 -26,-1.8 -2,-0.4 2,-0.4 0.414 69.2 52.5-115.3 -4.1 16.1 58.2 8.6 94 95 A T E -CE 66 106A 0 12,-1.7 12,-2.6 -28,-0.3 2,-0.5 -0.997 57.6-171.6-141.6 127.1 12.9 56.6 10.0 95 96 A V E -CE 65 105A 0 -30,-3.3 -30,-2.5 -2,-0.4 2,-0.5 -0.984 10.4-156.0-124.3 117.2 9.6 58.3 10.8 96 97 A V E -CE 64 104A 30 8,-2.7 8,-2.1 -2,-0.5 2,-0.6 -0.833 9.2-156.1 -90.6 128.0 6.9 56.3 12.6 97 98 A I E - E 0 103A 9 -34,-2.1 6,-0.2 -2,-0.5 5,-0.0 -0.930 12.7-138.1-111.8 117.7 3.4 57.7 11.9 98 99 A D > - 0 0 97 4,-2.8 3,-2.2 -2,-0.6 167,-0.0 -0.170 32.8 -95.2 -68.7 163.2 0.9 56.9 14.7 99 100 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.870 127.5 44.0 -48.6 -39.1 -2.7 55.8 13.7 100 101 A T T 3 S- 0 0 135 2,-0.0 -1,-0.3 -39,-0.0 -2,-0.1 0.326 127.5 -91.7 -97.1 8.4 -3.9 59.4 14.1 101 102 A G S < S+ 0 0 19 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.404 72.3 142.8 108.4 -1.9 -1.0 61.1 12.3 102 103 A H - 0 0 68 -23,-0.1 -4,-2.8 -44,-0.1 2,-0.4 -0.516 39.3-140.3 -74.1 142.6 1.7 62.0 14.9 103 104 A T E - E 0 97A 2 -6,-0.2 -22,-1.6 -2,-0.2 -23,-0.4 -0.874 18.4-175.3-112.8 136.4 5.3 61.6 13.8 104 105 A T E -dE 81 96A 35 -8,-2.1 -8,-2.7 -2,-0.4 2,-0.3 -0.988 16.4-145.4-127.0 125.4 8.3 60.3 15.6 105 106 A G E +dE 82 95A 0 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.3 -0.629 22.7 169.0 -89.6 141.6 11.8 60.4 14.1 106 107 A H E - E 0 94A 41 -12,-2.6 -13,-1.9 -2,-0.3 -12,-1.7 -0.896 30.1-129.3-138.9 167.9 14.4 57.7 14.7 107 108 A N > + 0 0 9 -2,-0.3 4,-1.3 -15,-0.2 3,-0.1 -0.858 26.7 166.7-128.3 101.7 17.8 56.7 13.3 108 109 A T H > S+ 0 0 1 -2,-0.5 4,-2.2 2,-0.2 152,-0.2 0.493 73.0 73.8 -92.8 -4.6 18.2 53.1 12.3 109 110 A D H > S+ 0 0 22 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.922 103.5 43.7 -61.7 -42.6 21.4 53.8 10.4 110 111 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.973 118.9 40.8 -65.8 -54.0 22.9 54.1 13.8 111 112 A S H X S+ 0 0 37 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.895 115.6 52.6 -65.3 -36.4 21.2 51.1 15.3 112 113 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.899 109.4 46.6 -66.4 -43.0 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0.934 116.2 49.2 -75.1 -50.0 19.8 45.1 6.1 256 257 A H H 3X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.789 102.1 60.2 -70.1 -27.0 19.7 46.0 9.7 257 258 A Q H 3X S+ 0 0 20 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.887 111.6 43.2 -59.7 -38.9 18.5 49.6 9.2 258 259 A A H - 0 0 57 1,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.804 21.7-161.8 -92.0 110.1 12.8 37.9 10.6 272 273 A V H > S+ 0 0 42 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.922 86.3 53.4 -62.9 -43.7 16.4 39.0 9.9 273 274 A S H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.0 49.7 -63.2 -37.2 17.2 36.0 7.7 274 275 A R H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 112.7 46.2 -64.6 -43.9 14.3 36.7 5.5 275 276 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 112.6 50.3 -67.9 -38.2 15.1 40.4 5.1 276 277 A R H X S+ 0 0 54 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.922 109.1 52.8 -60.1 -46.3 18.7 39.5 4.4 277 278 A E H X S+ 0 0 136 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.952 109.8 47.7 -53.0 -52.4 17.6 37.0 1.8 278 279 A T H X S+ 0 0 23 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.936 111.2 51.3 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