==== 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 04-AUG-10 3ALM . 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) . 29804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 71.9 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 . 67 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.3 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 8 2 0 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 0 248 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.7 72.4 33.0 -21.8 2 11 A T - 0 0 102 24,-0.1 2,-0.2 1,-0.1 24,-0.1 -0.556 360.0-143.0 -73.9 113.2 70.4 36.4 -21.7 3 12 A R - 0 0 76 -2,-0.6 24,-2.8 22,-0.2 2,-0.4 -0.471 11.9-141.7 -74.7 143.2 72.1 38.8 -19.3 4 13 A R E -a 27 0A 91 22,-0.2 137,-1.8 -2,-0.2 138,-1.1 -0.863 13.0-166.9-113.7 137.3 69.9 41.1 -17.1 5 14 A A E -ab 28 142A 0 22,-2.7 24,-2.3 -2,-0.4 2,-0.5 -0.974 7.4-160.0-123.8 139.9 70.5 44.8 -16.1 6 15 A E E -ab 29 143A 1 136,-2.5 138,-3.0 -2,-0.4 2,-0.5 -0.974 12.8-166.0-116.3 118.3 68.7 46.8 -13.5 7 16 A V E -ab 30 144A 0 22,-3.1 24,-3.0 -2,-0.5 2,-0.6 -0.911 8.1-155.8-108.4 126.7 69.0 50.6 -14.0 8 17 A A E +ab 31 145A 2 136,-3.2 138,-2.1 -2,-0.5 24,-0.2 -0.878 64.9 36.3-100.2 116.7 68.0 53.0 -11.2 9 18 A G - 0 0 9 22,-3.7 23,-0.2 -2,-0.6 22,-0.1 0.287 58.3-142.4 114.4 123.4 67.1 56.5 -12.6 10 19 A G + 0 0 2 4,-0.1 28,-0.1 20,-0.1 22,-0.1 -0.252 64.0 112.4-105.6 46.7 65.3 57.6 -15.7 11 20 A G S > S- 0 0 31 135,-0.5 4,-2.8 26,-0.1 5,-0.4 -0.231 91.9 -74.2 -98.9-165.9 67.4 60.7 -16.5 12 21 A F H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.907 133.0 48.6 -59.0 -37.1 69.7 61.1 -19.4 13 22 A A H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 115.7 43.0 -66.5 -48.7 72.4 58.7 -17.9 14 23 A G H > S+ 0 0 0 132,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.905 114.5 49.3 -63.2 -48.6 69.8 55.9 -17.1 15 24 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.896 112.9 48.6 -59.3 -39.9 68.0 56.2 -20.4 16 25 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.4 5,-0.3 0.960 112.8 45.8 -65.4 -51.7 71.3 56.1 -22.3 17 26 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.933 113.3 52.6 -54.2 -44.6 72.6 53.1 -20.5 18 27 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.924 112.9 41.7 -60.8 -45.8 69.2 51.4 -20.9 19 28 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 114.6 50.4 -68.5 -46.1 69.0 51.9 -24.6 20 29 A A H X S+ 0 0 1 -4,-2.9 4,-0.9 -5,-0.2 -2,-0.2 0.908 113.5 45.4 -63.0 -40.8 72.6 51.0 -25.2 21 30 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.5 -5,-0.3 3,-0.7 0.923 111.6 51.9 -63.2 -47.6 72.4 47.8 -23.2 22 31 A K H ><5S+ 0 0 60 -4,-2.4 3,-2.0 -5,-0.3 -2,-0.2 0.915 105.8 56.2 -57.7 -39.4 69.0 46.8 -24.8 23 32 A Q H 3<5S+ 0 0 68 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.785 104.6 52.8 -62.0 -27.7 70.7 47.3 -28.2 24 33 A N T <<5S- 0 0 59 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.274 129.1 -97.4 -92.1 7.2 73.4 44.8 -27.2 25 34 A G T < 5S+ 0 0 50 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.591 73.2 147.7 89.7 12.6 70.7 42.2 -26.3 26 35 A W < - 0 0 2 -5,-2.5 2,-0.9 -6,-0.1 -1,-0.3 -0.543 53.9-124.9 -72.5 150.4 70.5 42.8 -22.5 27 36 A D E -a 4 0A 46 -24,-2.8 -22,-2.7 -2,-0.2 2,-0.4 -0.868 43.7-169.6 -88.5 108.4 67.2 42.3 -20.8 28 37 A V E -a 5 0A 0 -2,-0.9 86,-2.0 -24,-0.2 2,-0.4 -0.900 21.5-174.2-113.6 132.9 67.0 45.8 -19.2 29 38 A R E -ac 6 114A 55 -24,-2.3 -22,-3.1 -2,-0.4 2,-0.4 -0.961 11.5-160.3-119.7 132.9 64.6 47.1 -16.6 30 39 A L E -ac 7 115A 0 84,-3.0 86,-2.9 -2,-0.4 2,-0.5 -0.965 1.9-155.6-115.6 138.4 64.7 50.8 -15.7 31 40 A H E -ac 8 116A 13 -24,-3.0 -22,-3.7 -2,-0.4 2,-0.5 -0.957 7.4-172.1-119.6 121.3 63.3 52.2 -12.5 32 41 A E - 0 0 32 84,-2.9 87,-2.5 -2,-0.5 86,-0.4 -0.957 14.6-153.7-113.5 122.6 62.2 55.9 -12.2 33 42 A K S S+ 0 0 145 -2,-0.5 87,-0.2 85,-0.3 -1,-0.1 0.840 72.1 83.5 -64.7 -33.4 61.3 57.1 -8.7 34 43 A S S S- 0 0 42 2,-0.1 84,-2.5 84,-0.1 85,-0.3 -0.229 88.6-117.5 -70.5 163.8 59.0 59.9 -10.0 35 44 A S S S+ 0 0 74 82,-0.2 2,-0.3 83,-0.1 -1,-0.1 0.683 97.3 24.0 -77.6 -15.9 55.3 59.2 -11.0 36 45 A E S S- 0 0 92 2,-0.0 2,-0.7 81,-0.0 -2,-0.1 -0.918 87.6-102.6-138.3 173.8 56.1 60.2 -14.6 37 46 A L + 0 0 34 -2,-0.3 2,-0.3 80,-0.0 -26,-0.1 -0.864 60.8 142.6 -98.0 112.4 59.1 60.4 -16.9 38 47 A R - 0 0 128 -2,-0.7 2,-0.4 -28,-0.1 -4,-0.1 -0.969 40.4-141.4-145.7 159.3 60.0 64.1 -17.1 39 48 A A - 0 0 16 -2,-0.3 3,-0.3 -28,-0.1 2,-0.2 -0.993 17.1-158.4-124.2 134.4 63.2 66.1 -17.3 40 49 A F + 0 0 163 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.663 58.9 76.0-106.4 164.6 63.7 69.4 -15.4 41 50 A G S S- 0 0 11 -2,-0.2 2,-1.9 131,-0.2 -1,-0.1 0.403 85.0-119.3 115.9 4.1 66.2 72.3 -16.0 42 51 A A S S+ 0 0 23 -3,-0.3 55,-2.6 130,-0.1 56,-0.5 -0.445 81.0 16.7 73.1 -72.3 64.3 74.0 -19.1 43 52 A G E -F 96 0B 0 -2,-1.9 2,-0.3 53,-0.3 53,-0.2 -0.712 61.7-162.5-134.4 168.4 67.0 73.7 -21.7 44 53 A I E -F 95 0B 10 51,-2.3 51,-2.0 -2,-0.2 2,-0.4 -0.992 13.5-138.1-151.2 146.5 70.2 71.9 -22.5 45 54 A Y E -F 94 0B 15 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.898 18.0-171.2-105.4 141.2 73.2 72.1 -24.8 46 55 A L E -F 93 0B 1 47,-2.6 47,-2.5 -2,-0.4 2,-0.2 -0.930 3.9-163.6-122.1 147.7 74.7 69.0 -26.5 47 56 A W E >> -F 92 0B 3 -2,-0.3 4,-2.6 45,-0.3 3,-0.5 -0.705 46.5 -74.7-114.1-170.8 78.0 68.9 -28.4 48 57 A H H 3> S+ 0 0 8 43,-1.8 4,-2.5 1,-0.2 5,-0.2 0.831 128.4 57.0 -54.4 -38.0 79.5 66.4 -30.8 49 58 A N H 3> S+ 0 0 2 308,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.942 114.1 39.1 -61.3 -49.9 80.3 63.9 -28.1 50 59 A G H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.838 113.8 54.2 -64.9 -45.1 76.6 63.8 -26.9 51 60 A L H X S+ 0 0 17 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.850 107.2 52.3 -57.3 -37.0 75.3 63.9 -30.5 52 61 A R H X S+ 0 0 54 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.909 105.5 53.2 -67.1 -40.1 77.4 60.9 -31.3 53 62 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.969 108.8 50.4 -57.2 -46.8 76.0 59.0 -28.4 54 63 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-0.8 0.909 109.2 51.2 -58.7 -39.1 72.5 59.8 -29.7 55 64 A E H ><5S+ 0 0 92 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.948 110.5 49.6 -58.9 -46.5 73.6 58.5 -33.2 56 65 A G H 3<5S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.720 113.1 47.0 -61.1 -32.8 74.8 55.3 -31.4 57 66 A L T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.375 111.6-119.8 -86.1 -2.7 71.5 55.0 -29.6 58 67 A G T < 5S+ 0 0 44 -3,-1.6 -3,-0.2 -4,-0.3 4,-0.1 0.813 88.5 106.6 57.2 35.5 69.5 55.6 -32.8 59 68 A A >< + 0 0 2 -5,-2.6 4,-0.9 -6,-0.2 -4,-0.2 0.237 42.4 97.3-120.6 10.4 67.9 58.7 -31.2 60 69 A L H > S+ 0 0 32 -6,-0.8 4,-2.7 2,-0.2 3,-0.5 0.892 78.0 54.9 -70.2 -39.8 69.7 61.4 -33.2 61 70 A D H > S+ 0 0 128 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.934 107.3 49.4 -66.0 -43.5 67.1 62.1 -35.8 62 71 A D H 4 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.733 114.0 47.5 -66.5 -26.1 64.4 62.8 -33.4 63 72 A V H < S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.926 110.1 49.2 -79.2 -48.6 66.7 65.2 -31.5 64 73 A L H >< S+ 0 0 59 -4,-2.7 3,-1.8 2,-0.1 2,-0.5 0.892 95.6 81.7 -61.0 -42.4 68.0 67.2 -34.5 65 74 A Q T 3< S+ 0 0 154 -4,-2.3 3,-0.1 1,-0.3 0, 0.0 -0.555 108.0 11.3 -60.5 119.3 64.4 67.7 -35.7 66 75 A G T 3 S+ 0 0 30 -2,-0.5 2,-0.3 1,-0.4 -1,-0.3 0.681 110.1 96.7 83.6 14.8 63.1 70.6 -33.6 67 76 A S < - 0 0 11 -3,-1.8 2,-0.4 28,-0.1 -1,-0.4 -0.828 62.3-127.6-127.4-177.1 66.3 71.7 -32.1 68 77 A H B -G 94 0B 29 26,-2.3 26,-2.9 -2,-0.3 141,-0.0 -0.952 14.5-161.2-138.1 135.5 68.8 74.5 -33.1 69 78 A T - 0 0 55 -2,-0.4 24,-0.1 24,-0.2 139,-0.1 -0.975 34.5-137.0-108.5 114.4 72.5 75.0 -33.9 70 79 A P - 0 0 4 0, 0.0 119,-0.2 0, 0.0 3,-0.1 -0.317 16.4-117.8 -66.0 157.3 73.0 78.8 -33.5 71 80 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.822 93.9 1.2 -64.9 -29.9 75.2 80.5 -36.2 72 81 A T - 0 0 13 116,-0.1 118,-2.1 2,-0.0 2,-0.7 -0.992 64.1-123.6-153.0 155.8 77.6 81.5 -33.5 73 82 A Y E -Hi 85 190C 9 12,-2.8 12,-2.5 -2,-0.3 2,-0.3 -0.929 43.8-170.4-100.1 109.5 78.3 81.2 -29.7 74 83 A E E -Hi 84 191C 11 116,-3.1 118,-2.6 -2,-0.7 2,-0.4 -0.770 13.2-159.5-109.8 142.8 78.6 84.9 -28.7 75 84 A T E -Hi 83 192C 3 8,-2.0 7,-3.3 -2,-0.3 8,-1.3 -0.991 6.7-169.5-119.3 140.9 79.7 86.4 -25.4 76 85 A W E -Hi 81 193C 36 116,-2.8 118,-2.6 -2,-0.4 2,-0.4 -0.936 9.4-164.5-122.6 146.9 79.0 90.0 -24.2 77 86 A M E > S-Hi 80 194C 35 3,-2.4 3,-1.9 -2,-0.4 118,-0.2 -0.989 85.2 -14.2-126.8 122.2 80.4 91.8 -21.2 78 87 A H T 3 S- 0 0 78 116,-2.3 117,-0.1 -2,-0.4 -1,-0.1 0.880 129.6 -56.0 50.9 49.2 78.4 94.9 -20.2 79 88 A N T 3 S+ 0 0 84 115,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.474 112.9 119.5 62.1 7.5 76.5 94.7 -23.6 80 89 A K E < -H 77 0C 144 -3,-1.9 -3,-2.4 2,-0.0 2,-0.4 -0.878 70.0-121.4-101.2 127.7 79.7 94.8 -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 35.3 172.5 -61.3 119.4 80.4 91.7 -27.8 82 91 A V E + 0 0 58 -7,-3.3 2,-0.3 -2,-0.4 -6,-0.2 0.576 60.5 2.0-108.3 -14.0 83.8 90.3 -26.7 83 92 A S E -H 75 0C 9 -8,-1.3 -8,-2.0 263,-0.1 2,-0.4 -0.976 43.5-161.0-163.9 154.7 83.8 87.0 -28.8 84 93 A K E -H 74 0C 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.968 24.1-174.0-137.7 121.2 82.0 84.9 -31.4 85 94 A E E +H 73 0C 17 -12,-2.5 -12,-2.8 -2,-0.4 -2,-0.0 -0.960 22.9 171.7-121.7 133.6 83.1 81.2 -31.4 86 95 A T > - 0 0 79 -2,-0.4 3,-1.1 -14,-0.2 4,-0.2 0.270 43.4-128.8-121.4 -0.3 82.1 78.5 -33.9 87 96 A F G > - 0 0 9 1,-0.3 3,-2.4 2,-0.2 -2,-0.0 0.769 55.1 -74.5 66.4 33.8 84.6 75.8 -32.8 88 97 A N G 3 S- 0 0 118 1,-0.3 -1,-0.3 282,-0.0 -3,-0.0 0.888 98.7 -47.9 38.8 49.8 86.0 75.0 -36.4 89 98 A G G < S+ 0 0 48 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.440 88.3 159.1 86.2 -5.0 82.9 73.1 -37.3 90 99 A L < - 0 0 2 -3,-2.4 -1,-0.2 -4,-0.2 268,-0.1 -0.426 48.1-114.2 -51.3 120.2 82.6 71.0 -34.1 91 100 A P + 0 0 45 0, 0.0 -43,-1.8 0, 0.0 2,-0.3 -0.252 46.9 163.1 -62.0 147.1 78.8 70.0 -34.1 92 101 A W E -F 47 0B 13 -45,-0.3 2,-0.3 -44,-0.1 -45,-0.3 -0.958 13.1-169.8-158.7 167.2 76.7 71.4 -31.2 93 102 A R E -F 46 0B 51 -47,-2.5 -47,-2.6 -2,-0.3 2,-0.4 -0.992 13.8-147.6-163.0 150.0 73.0 71.8 -30.5 94 103 A I E +FG 45 68B 0 -26,-2.9 -26,-2.3 -2,-0.3 2,-0.3 -0.954 29.8 150.2-127.9 143.5 70.6 73.4 -28.1 95 104 A M E -F 44 0B 0 -51,-2.0 -51,-2.3 -2,-0.4 2,-0.2 -0.985 47.8 -85.8-156.3 164.5 67.2 72.0 -27.2 96 105 A T E > -F 43 0B 10 -2,-0.3 4,-1.7 -53,-0.2 -53,-0.3 -0.520 38.8-119.1 -73.3 158.2 64.7 71.9 -24.5 97 106 A R H > S+ 0 0 54 -55,-2.6 4,-2.8 1,-0.2 5,-0.2 0.897 114.6 52.6 -57.4 -47.4 65.2 69.3 -21.8 98 107 A S H > S+ 0 0 50 -56,-0.5 4,-3.3 1,-0.2 5,-0.3 0.898 104.2 57.2 -59.2 -36.5 61.9 67.7 -22.6 99 108 A H H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.923 113.4 38.1 -58.2 -43.3 62.8 67.5 -26.2 100 109 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.925 117.8 50.4 -74.2 -45.3 66.0 65.4 -25.5 101 110 A H H X S+ 0 0 2 -4,-2.8 4,-3.2 -5,-0.2 5,-0.2 0.935 109.5 50.4 -60.9 -46.0 64.3 63.4 -22.8 102 111 A D H X S+ 0 0 84 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.875 108.2 52.8 -57.9 -41.3 61.3 62.5 -25.0 103 112 A A H X S+ 0 0 3 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.884 112.6 45.1 -63.1 -39.9 63.5 61.3 -27.8 104 113 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.917 112.8 49.7 -71.9 -42.4 65.3 59.0 -25.3 105 114 A V H X S+ 0 0 8 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.931 111.6 49.4 -60.9 -43.0 62.1 57.8 -23.8 106 115 A N H X S+ 0 0 88 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.903 111.8 47.9 -65.1 -40.6 60.6 57.0 -27.2 107 116 A R H X S+ 0 0 69 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.920 110.1 51.3 -63.7 -46.0 63.6 55.2 -28.3 108 117 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.934 113.7 45.7 -57.7 -42.5 63.8 53.1 -25.0 109 118 A R H ><5S+ 0 0 149 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.926 107.8 56.9 -70.1 -38.4 60.1 52.1 -25.5 110 119 A A H 3<5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.0 47.7 -57.2 -39.5 60.7 51.3 -29.2 111 120 A L T 3<5S- 0 0 45 -4,-2.0 -1,-0.3 -3,-0.1 -2,-0.2 0.486 118.4-110.4 -75.4 -11.2 63.4 48.8 -28.1 112 121 A G T < 5 + 0 0 44 -3,-1.6 2,-0.3 -4,-0.5 -3,-0.2 0.755 52.8 169.1 80.6 25.4 61.2 47.2 -25.4 113 122 A V < - 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