==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-10 3ALI . COMPND 2 MOLECULE: 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYG . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR J.KOBAYASHI,H.YOSHIDA,Y.YOSHIKANE,S.KAMITORI,T.YAGI . 740 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 64 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 6 2 1 2 2 2 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 4 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 6 5 2 6 2 0 2 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 . 2 4 1 0 2 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 10 A K 0 0 249 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -26.7 -16.7 -32.0 20.6 2 11 A T - 0 0 74 24,-0.0 2,-0.1 1,-0.0 24,-0.1 -0.684 360.0-121.4 -67.8 127.7 -15.3 -28.6 21.6 3 12 A R - 0 0 75 -2,-0.5 24,-3.2 22,-0.2 2,-0.4 -0.436 26.5-146.0 -76.1 145.7 -17.2 -26.1 19.4 4 13 A R E -a 27 0A 114 22,-0.2 137,-1.9 -2,-0.1 138,-1.1 -0.952 14.1-170.9-121.9 132.2 -14.9 -23.9 17.2 5 14 A A E -ab 28 142A 2 22,-3.0 24,-2.3 -2,-0.4 2,-0.5 -0.961 10.0-158.2-122.4 143.3 -15.5 -20.3 16.2 6 15 A E E -ab 29 143A 18 136,-2.6 138,-3.3 -2,-0.4 2,-0.5 -0.985 11.3-163.3-117.7 128.1 -13.7 -18.2 13.8 7 16 A V E -ab 30 144A 0 22,-3.1 24,-3.0 -2,-0.5 2,-0.7 -0.922 5.9-157.0-109.7 123.2 -14.1 -14.4 14.1 8 17 A A E +ab 31 145A 2 136,-3.2 138,-2.6 -2,-0.5 24,-0.2 -0.867 64.9 41.2-100.7 116.9 -13.2 -12.0 11.4 9 18 A G - 0 0 10 22,-2.9 23,-0.2 -2,-0.7 138,-0.1 0.243 58.2-145.3 122.6 122.1 -12.4 -8.5 12.7 10 19 A G + 0 0 2 4,-0.1 28,-0.1 20,-0.1 22,-0.1 -0.197 65.3 109.7-106.0 39.6 -10.4 -7.4 15.8 11 20 A G S > S- 0 0 32 135,-0.5 4,-2.9 26,-0.1 5,-0.4 -0.252 93.2 -74.2 -90.6-161.5 -12.5 -4.3 16.6 12 21 A F H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.887 131.8 49.5 -68.0 -33.6 -14.9 -3.9 19.5 13 22 A A H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 114.5 42.8 -68.9 -49.3 -17.5 -6.2 18.0 14 23 A G H > S+ 0 0 0 132,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.910 115.1 49.5 -63.5 -41.6 -15.1 -9.1 17.2 15 24 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.916 112.3 48.6 -63.1 -42.9 -13.2 -8.8 20.5 16 25 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.4 5,-0.3 0.954 113.6 45.9 -58.8 -46.2 -16.5 -8.9 22.4 17 26 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.929 112.6 51.1 -62.5 -41.3 -17.8 -11.9 20.5 18 27 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.926 114.4 42.9 -67.1 -44.6 -14.4 -13.7 20.9 19 28 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.926 113.9 49.6 -64.4 -48.3 -14.3 -13.2 24.7 20 29 A A H X S+ 0 0 2 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.923 115.0 45.2 -62.6 -40.8 -18.0 -14.0 25.3 21 30 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.4 -5,-0.3 3,-0.6 0.925 112.7 50.2 -66.2 -43.1 -17.6 -17.3 23.2 22 31 A K H ><5S+ 0 0 50 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.884 105.8 56.5 -64.8 -40.6 -14.4 -18.3 24.9 23 32 A Q H 3<5S+ 0 0 67 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.802 105.4 53.1 -56.0 -29.6 -16.0 -17.7 28.3 24 33 A N T <<5S- 0 0 60 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.234 128.5 -97.9 -91.9 9.6 -18.6 -20.2 27.3 25 34 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 1,-0.3 -22,-0.2 0.498 74.6 143.1 90.8 8.2 -16.0 -22.9 26.4 26 35 A W < - 0 0 0 -5,-2.4 2,-0.6 -24,-0.1 -1,-0.3 -0.485 55.1-123.2 -69.7 149.8 -15.7 -22.3 22.6 27 36 A D E -a 4 0A 76 -24,-3.2 -22,-3.0 -2,-0.1 2,-0.4 -0.876 42.6-168.3 -86.6 130.6 -12.3 -22.6 20.9 28 37 A V E -a 5 0A 7 -2,-0.6 86,-2.5 84,-0.2 2,-0.4 -0.981 23.0-174.4-132.6 131.1 -12.0 -19.2 19.3 29 38 A R E -ac 6 114A 57 -24,-2.3 -22,-3.1 -2,-0.4 2,-0.4 -0.966 11.4-160.1-120.9 134.8 -9.7 -17.8 16.8 30 39 A L E -ac 7 115A 0 84,-3.1 86,-3.1 -2,-0.4 2,-0.5 -0.966 3.4-154.7-118.3 138.0 -9.9 -14.1 15.8 31 40 A H E -ac 8 116A 2 -24,-3.0 -22,-2.9 -2,-0.4 2,-0.5 -0.924 8.2-173.5-116.0 124.0 -8.4 -12.7 12.6 32 41 A E - 0 0 28 84,-2.8 87,-2.2 -2,-0.5 86,-0.4 -0.978 15.5-153.5-117.9 124.4 -7.3 -9.0 12.3 33 42 A K S S+ 0 0 139 -2,-0.5 87,-0.2 85,-0.3 -1,-0.1 0.809 72.2 82.8 -66.9 -29.9 -6.3 -7.9 8.8 34 43 A S S S- 0 0 50 85,-0.1 84,-2.4 2,-0.1 85,-0.3 -0.212 91.4-112.9 -72.2 167.5 -4.0 -5.1 10.1 35 44 A S S S+ 0 0 78 82,-0.2 2,-0.3 83,-0.1 82,-0.1 0.623 97.9 19.5 -80.7 -12.3 -0.4 -5.8 11.2 36 45 A E S S- 0 0 90 2,-0.1 2,-0.5 81,-0.0 -2,-0.1 -0.984 88.8 -97.2-147.4 164.1 -1.3 -5.0 14.9 37 46 A L + 0 0 34 -2,-0.3 2,-0.3 2,-0.0 -26,-0.1 -0.700 59.8 147.4 -83.3 121.7 -4.4 -4.7 17.1 38 47 A R - 0 0 127 -2,-0.5 2,-0.5 -28,-0.1 -4,-0.1 -0.991 38.5-140.2-153.1 153.0 -5.3 -1.0 17.3 39 48 A A - 0 0 15 -2,-0.3 3,-0.2 -28,-0.1 2,-0.2 -0.974 19.4-160.5-119.8 129.2 -8.5 1.1 17.6 40 49 A F + 0 0 157 -2,-0.5 -2,-0.0 1,-0.1 3,-0.0 -0.598 57.1 73.6-103.5 162.7 -9.0 4.2 15.7 41 50 A G S S- 0 0 13 -2,-0.2 2,-1.8 131,-0.2 -1,-0.1 0.453 86.0-116.0 113.7 10.6 -11.4 7.3 16.1 42 51 A A S S+ 0 0 23 -3,-0.2 55,-2.4 130,-0.1 56,-0.5 -0.438 81.7 13.7 68.8 -79.1 -9.7 8.9 19.2 43 52 A G E -F 96 0B 0 -2,-1.8 2,-0.3 53,-0.3 53,-0.2 -0.753 60.5-159.8-131.4 175.2 -12.3 8.6 21.9 44 53 A I E -F 95 0B 10 51,-2.3 51,-2.0 -2,-0.2 2,-0.5 -0.987 12.3-140.4-154.6 140.6 -15.6 6.8 22.6 45 54 A Y E -F 94 0B 15 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.896 20.3-174.1 -98.1 134.7 -18.7 7.1 24.9 46 55 A L E -F 93 0B 1 47,-2.9 47,-2.7 -2,-0.5 2,-0.2 -0.900 4.2-162.5-118.1 159.7 -20.2 4.0 26.5 47 56 A W E >> -F 92 0B 3 -2,-0.3 4,-2.6 45,-0.3 3,-0.6 -0.730 46.4 -69.7-124.2-170.7 -23.4 3.8 28.5 48 57 A H H 3> S+ 0 0 9 43,-1.9 4,-2.4 1,-0.3 5,-0.2 0.828 128.3 55.7 -51.9 -44.7 -25.0 1.3 31.0 49 58 A N H 3> S+ 0 0 2 308,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.935 113.8 38.0 -56.1 -48.9 -25.7 -1.2 28.2 50 59 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.804 114.0 55.1 -71.5 -36.6 -22.0 -1.4 27.0 51 60 A L H X S+ 0 0 16 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.855 108.1 51.4 -64.6 -33.4 -20.7 -1.1 30.6 52 61 A R H X S+ 0 0 52 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.904 106.7 52.2 -70.4 -38.2 -22.9 -4.2 31.4 53 62 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 5,-0.2 0.967 109.8 50.1 -55.4 -51.8 -21.4 -6.0 28.4 54 63 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 6,-0.7 0.900 109.2 51.0 -54.0 -42.8 -17.9 -5.2 29.8 55 64 A E H ><5S+ 0 0 93 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.931 111.1 48.7 -54.0 -48.9 -19.1 -6.6 33.2 56 65 A G H 3<5S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.739 112.7 48.0 -66.5 -25.4 -20.2 -9.7 31.5 57 66 A L T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.400 111.5-119.8 -89.7 -5.7 -16.8 -10.0 29.6 58 67 A G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.804 88.2 107.8 62.4 33.3 -14.9 -9.5 32.8 59 68 A A >< + 0 0 3 -5,-2.8 4,-0.8 -6,-0.2 -4,-0.2 0.226 41.6 97.5-121.7 10.9 -13.3 -6.4 31.3 60 69 A L H >> S+ 0 0 33 -6,-0.7 4,-2.8 1,-0.2 3,-0.7 0.902 76.6 56.7 -72.0 -39.9 -15.1 -3.7 33.2 61 70 A D H 3> S+ 0 0 129 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.901 106.6 48.5 -63.1 -38.3 -12.4 -3.0 35.9 62 71 A D H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.726 113.9 48.9 -74.8 -22.8 -9.7 -2.2 33.4 63 72 A V H << S+ 0 0 0 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.918 110.9 46.6 -81.2 -47.1 -12.1 0.2 31.6 64 73 A L H >< S+ 0 0 59 -4,-2.8 3,-1.5 2,-0.1 2,-0.5 0.877 97.1 78.8 -65.6 -37.4 -13.4 2.1 34.6 65 74 A Q T 3< S+ 0 0 157 -4,-2.0 3,-0.1 -5,-0.3 0, 0.0 -0.630 109.4 14.0 -65.3 115.7 -9.9 2.6 36.0 66 75 A G T 3 S+ 0 0 31 -2,-0.5 -1,-0.2 1,-0.4 2,-0.2 0.615 111.0 94.9 92.1 13.1 -8.5 5.5 33.8 67 76 A S < - 0 0 13 -3,-1.5 -1,-0.4 28,-0.1 2,-0.4 -0.675 62.9-125.2-123.2-169.6 -11.7 6.7 32.3 68 77 A H B -G 94 0B 27 26,-2.3 26,-3.0 -2,-0.2 141,-0.1 -0.981 15.1-161.9-144.5 137.5 -14.3 9.4 33.2 69 78 A T - 0 0 54 -2,-0.4 24,-0.1 24,-0.2 139,-0.1 -0.948 33.9-135.4-112.0 112.7 -17.9 10.1 33.9 70 79 A P - 0 0 4 0, 0.0 119,-0.2 0, 0.0 3,-0.1 -0.242 17.3-119.2 -59.2 154.8 -18.5 13.8 33.5 71 80 A P S S- 0 0 82 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.802 94.4 -4.7 -63.1 -29.4 -20.7 15.5 36.3 72 81 A T - 0 0 13 116,-0.1 118,-2.0 2,-0.0 2,-0.7 -0.989 65.0-120.1-158.0 160.0 -23.1 16.3 33.5 73 82 A Y E -Hi 85 190C 10 12,-2.7 12,-2.6 -2,-0.3 2,-0.3 -0.920 43.4-171.9-103.9 109.7 -23.7 16.2 29.7 74 83 A E E -Hi 84 191C 9 116,-3.1 118,-2.5 -2,-0.7 2,-0.4 -0.795 13.4-159.2-109.5 147.9 -24.1 19.8 28.8 75 84 A T E -Hi 83 192C 3 8,-2.0 7,-2.8 -2,-0.3 8,-1.4 -0.981 6.7-168.6-124.0 141.3 -25.1 21.3 25.4 76 85 A W E -Hi 81 193C 36 116,-3.1 118,-2.8 -2,-0.4 2,-0.5 -0.930 9.0-161.8-123.1 150.0 -24.5 24.9 24.2 77 86 A M E > S-Hi 80 194C 37 3,-2.4 3,-2.0 -2,-0.4 118,-0.2 -0.993 85.5 -13.5-127.6 118.7 -25.9 26.8 21.2 78 87 A H T 3 S- 0 0 80 116,-2.5 117,-0.1 -2,-0.5 3,-0.1 0.878 130.1 -55.2 53.5 46.6 -23.8 29.8 20.2 79 88 A N T 3 S+ 0 0 83 115,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.467 113.1 119.2 66.0 10.5 -22.0 29.6 23.6 80 89 A K E < -H 77 0C 138 -3,-2.0 -3,-2.4 2,-0.0 2,-0.4 -0.888 69.6-123.1-105.5 127.4 -25.2 29.7 25.6 81 90 A S E +H 76 0C 43 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.544 34.2 173.2 -68.4 119.6 -25.8 26.7 27.8 82 91 A V E + 0 0 57 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.601 60.3 5.5-104.7 -14.7 -29.2 25.2 26.7 83 92 A S E -H 75 0C 8 -8,-1.4 -8,-2.0 263,-0.1 2,-0.4 -0.974 43.7-161.7-164.5 153.9 -29.2 21.9 28.8 84 93 A K E -H 74 0C 100 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.985 24.9-174.9-137.4 119.2 -27.5 19.9 31.4 85 94 A E E +H 73 0C 17 -12,-2.6 -12,-2.7 -2,-0.4 -2,-0.0 -0.966 24.6 170.2-122.4 137.5 -28.5 16.2 31.5 86 95 A T > - 0 0 79 -2,-0.4 3,-1.2 -14,-0.2 4,-0.2 0.295 44.5-128.3-128.2 6.1 -27.5 13.4 33.9 87 96 A F G > - 0 0 8 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.764 56.4 -72.5 63.1 31.8 -30.0 10.7 32.7 88 97 A N G 3 S- 0 0 105 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.880 98.4 -47.5 48.8 43.2 -31.5 9.9 36.2 89 98 A G G < S+ 0 0 47 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.384 89.0 158.6 88.1 -6.1 -28.4 8.1 37.3 90 99 A L < - 0 0 2 -3,-2.0 -1,-0.3 -4,-0.2 268,-0.1 -0.349 47.4-112.7 -56.5 125.6 -28.0 6.0 34.2 91 100 A P + 0 0 45 0, 0.0 -43,-1.9 0, 0.0 2,-0.3 -0.243 47.8 160.5 -62.9 143.9 -24.3 4.9 34.1 92 101 A W E -F 47 0B 13 -45,-0.3 2,-0.3 -44,-0.1 -45,-0.3 -0.970 14.1-171.1-157.2 165.1 -22.1 6.3 31.3 93 102 A R E -F 46 0B 53 -47,-2.7 -47,-2.9 -2,-0.3 2,-0.4 -0.991 14.4-148.5-161.2 147.8 -18.4 6.8 30.6 94 103 A I E +FG 45 68B 0 -26,-3.0 -26,-2.3 -2,-0.3 2,-0.3 -0.967 29.9 152.6-120.1 145.9 -16.0 8.4 28.2 95 104 A M E -F 44 0B 0 -51,-2.0 -51,-2.3 -2,-0.4 2,-0.1 -0.972 48.3 -86.9-157.4 164.4 -12.5 6.9 27.4 96 105 A T E > -F 43 0B 9 -2,-0.3 4,-1.6 -53,-0.2 -53,-0.3 -0.491 38.7-119.5 -72.4 155.4 -10.0 6.9 24.7 97 106 A R H > S+ 0 0 54 -55,-2.4 4,-2.8 1,-0.2 5,-0.2 0.916 115.6 55.6 -57.5 -40.7 -10.5 4.2 22.0 98 107 A S H > S+ 0 0 53 -56,-0.5 4,-3.4 1,-0.2 5,-0.2 0.894 103.9 55.3 -64.0 -37.6 -7.1 2.7 22.9 99 108 A H H > S+ 0 0 42 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 112.5 40.0 -58.9 -44.3 -8.2 2.4 26.5 100 109 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.932 116.3 51.6 -68.9 -41.8 -11.3 0.4 25.7 101 110 A H H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.931 108.0 51.7 -62.9 -44.2 -9.4 -1.6 23.1 102 111 A D H X S+ 0 0 90 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.861 107.7 52.0 -59.4 -44.6 -6.6 -2.5 25.5 103 112 A A H X S+ 0 0 4 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.902 113.6 43.3 -58.8 -42.2 -9.1 -3.7 28.1 104 113 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.902 115.5 48.1 -73.8 -40.4 -10.7 -6.1 25.6 105 114 A V H X S+ 0 0 12 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.939 111.9 49.8 -67.2 -42.9 -7.4 -7.3 24.1 106 115 A N H X S+ 0 0 90 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.925 113.5 46.3 -58.0 -39.8 -5.9 -7.9 27.5 107 116 A R H X S+ 0 0 70 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.901 110.9 51.3 -70.0 -47.4 -9.0 -9.9 28.5 108 117 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.4 0.913 113.5 46.2 -50.0 -45.1 -9.1 -11.9 25.2 109 118 A R H ><5S+ 0 0 147 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.897 108.2 55.1 -74.3 -40.2 -5.4 -12.8 25.7 110 119 A A H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.3 47.7 -57.4 -32.4 -6.0 -13.8 29.4 111 120 A L T 3<5S- 0 0 44 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.529 117.8-113.3 -84.3 -12.4 -8.7 -16.2 28.3 112 121 A G T < 5 + 0 0 44 -3,-1.2 2,-0.3 -4,-0.4 -84,-0.2 0.811 50.3 170.0 76.3 30.3 -6.5 -17.7 25.5 113 122 A V < - 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