==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-12 4GF7 . COMPND 2 MOLECULE: 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYG . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR J.KOBAYASHI,H.YOSHIDA,B.MIKAMI,H.HAYASHI,S.KAMITORI,Y.SAWA,T . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 16.5 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 3 1 1 2 0 0 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 2 2 1 2 1 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 . 1 2 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 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 0 230 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-135.4 -14.1 -16.3 -2.0 2 11 A T - 0 0 49 1,-0.1 24,-0.1 24,-0.0 2,-0.1 -0.582 360.0-108.9 -69.4 133.0 -13.7 -14.9 -5.5 3 12 A R - 0 0 80 -2,-0.3 24,-3.1 22,-0.2 2,-0.5 -0.396 33.1-143.5 -65.3 141.0 -15.4 -17.2 -8.0 4 13 A R E -a 27 0A 113 22,-0.2 137,-2.2 -2,-0.1 138,-1.5 -0.933 16.3-173.7-114.4 128.7 -13.0 -19.3 -10.1 5 14 A A E -ab 28 142A 1 22,-3.1 24,-1.8 -2,-0.5 2,-0.5 -0.964 8.4-163.0-117.8 137.2 -13.5 -20.2 -13.8 6 15 A E E -ab 29 143A 20 136,-2.5 138,-2.5 -2,-0.4 2,-0.5 -0.988 11.9-162.0-115.5 124.7 -11.3 -22.4 -15.9 7 16 A V E -ab 30 144A 0 22,-2.9 24,-3.3 -2,-0.5 2,-0.7 -0.926 6.1-152.7-111.2 124.5 -11.9 -22.1 -19.6 8 17 A A E +ab 31 145A 1 136,-3.2 138,-2.1 -2,-0.5 24,-0.2 -0.869 63.5 36.9 -97.6 116.4 -10.7 -24.8 -22.1 9 18 A G - 0 0 10 22,-3.4 23,-0.2 -2,-0.7 138,-0.1 0.197 58.8-138.7 115.6 130.3 -9.9 -23.4 -25.5 10 19 A G + 0 0 2 4,-0.1 28,-0.1 20,-0.1 22,-0.1 -0.065 66.6 109.1-108.4 29.7 -8.4 -20.2 -26.9 11 20 A G S > S- 0 0 36 135,-0.5 4,-2.6 26,-0.1 5,-0.3 -0.134 92.1 -77.4 -86.6-165.9 -10.7 -19.6 -29.8 12 21 A F H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.867 131.4 50.3 -67.7 -34.2 -13.3 -16.9 -30.1 13 22 A A H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.954 113.6 44.5 -65.3 -48.4 -15.8 -18.7 -27.8 14 23 A G H > S+ 0 0 0 132,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.907 114.6 47.5 -65.3 -43.9 -13.1 -19.2 -25.1 15 24 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.901 112.5 50.4 -64.6 -41.6 -11.7 -15.7 -25.3 16 25 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.942 112.5 46.4 -60.7 -48.4 -15.2 -14.2 -25.2 17 26 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.929 113.3 49.7 -58.4 -46.3 -16.2 -16.3 -22.1 18 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.920 113.4 44.3 -62.3 -47.2 -12.9 -15.5 -20.4 19 28 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.923 114.0 50.0 -60.8 -47.7 -13.2 -11.7 -20.9 20 29 A A H X S+ 0 0 1 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.895 113.7 44.9 -63.2 -42.4 -16.9 -11.6 -20.0 21 30 A L H ><>S+ 0 0 2 -4,-2.5 5,-2.2 -5,-0.2 3,-0.5 0.917 111.8 52.2 -65.8 -43.7 -16.3 -13.5 -16.8 22 31 A K H ><5S+ 0 0 52 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.881 105.2 55.6 -62.9 -37.8 -13.3 -11.5 -15.8 23 32 A Q H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 105.9 52.6 -62.2 -31.2 -15.2 -8.2 -16.3 24 33 A N T <<5S- 0 0 59 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.307 129.0 -96.0 -89.4 6.8 -17.8 -9.6 -13.8 25 34 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 1,-0.3 -22,-0.2 0.562 74.7 143.4 94.2 10.1 -15.1 -10.3 -11.2 26 35 A W < - 0 0 0 -5,-2.2 2,-0.6 -6,-0.1 -1,-0.3 -0.497 54.8-122.3 -70.8 148.1 -14.3 -13.9 -11.8 27 36 A D E -a 4 0A 76 -24,-3.1 -22,-3.1 -2,-0.2 2,-0.4 -0.873 43.4-168.1 -83.8 126.2 -10.8 -15.2 -11.4 28 37 A V E -a 5 0A 3 -2,-0.6 86,-2.5 84,-0.3 2,-0.4 -0.971 24.7-179.0-128.3 130.5 -10.2 -16.7 -14.9 29 38 A R E -ac 6 114A 79 -24,-1.8 -22,-2.9 -2,-0.4 2,-0.4 -0.994 14.6-156.4-119.3 136.3 -7.6 -18.9 -16.4 30 39 A L E -ac 7 115A 0 84,-3.1 86,-3.2 -2,-0.4 2,-0.5 -0.940 4.0-153.6-111.5 136.5 -7.8 -19.9 -20.1 31 40 A H E -ac 8 116A 3 -24,-3.3 -22,-3.4 -2,-0.4 2,-0.5 -0.933 8.2-171.9-113.7 117.3 -6.1 -23.1 -21.4 32 41 A E E - c 0 117A 29 84,-3.1 87,-2.3 -2,-0.5 86,-0.6 -0.943 13.9-155.2-108.1 123.3 -5.1 -23.4 -25.1 33 42 A K S S+ 0 0 118 -2,-0.5 87,-0.2 85,-0.3 -1,-0.1 0.861 71.7 83.9 -61.2 -40.1 -3.8 -26.8 -26.2 34 43 A S S S- 0 0 56 85,-0.1 84,-2.4 84,-0.1 85,-0.3 -0.201 91.5-113.4 -69.0 160.4 -1.7 -25.4 -29.1 35 44 A S S S+ 0 0 84 82,-0.2 2,-0.3 83,-0.1 -1,-0.1 0.683 97.7 17.9 -70.2 -18.4 1.8 -24.0 -28.5 36 45 A E S S- 0 0 120 81,-0.0 2,-0.6 2,-0.0 -2,-0.1 -0.963 88.1 -97.0-145.5 161.6 0.7 -20.5 -29.3 37 46 A L + 0 0 26 -2,-0.3 2,-0.3 80,-0.0 -26,-0.1 -0.734 59.2 148.5 -78.9 119.4 -2.5 -18.4 -29.5 38 47 A R - 0 0 133 -2,-0.6 2,-0.5 -28,-0.1 -4,-0.1 -0.991 39.3-139.9-151.3 151.5 -3.6 -18.3 -33.2 39 48 A A - 0 0 13 -2,-0.3 3,-0.3 -28,-0.1 2,-0.2 -0.974 20.6-161.2-117.0 124.4 -6.8 -18.1 -35.2 40 49 A F + 0 0 150 -2,-0.5 -2,-0.0 1,-0.2 3,-0.0 -0.614 56.9 72.4 -99.8 158.6 -7.1 -20.2 -38.4 41 50 A G S S- 0 0 12 -2,-0.2 2,-2.0 131,-0.1 -1,-0.2 0.442 84.8-117.6 120.1 3.2 -9.5 -19.8 -41.3 42 51 A A S S+ 0 0 23 -3,-0.3 55,-2.6 130,-0.1 56,-0.5 -0.454 81.6 10.2 72.0 -76.3 -8.2 -16.6 -43.0 43 52 A G E -F 96 0B 0 -2,-2.0 2,-0.3 53,-0.3 53,-0.2 -0.750 61.2-160.6-130.8 176.8 -11.1 -14.2 -42.7 44 53 A I E -F 95 0B 11 51,-2.4 51,-2.0 -2,-0.2 2,-0.4 -0.985 13.2-136.4-159.9 144.8 -14.4 -13.9 -40.9 45 54 A Y E -F 94 0B 16 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.887 19.4-172.5 -99.1 136.6 -17.7 -12.0 -41.0 46 55 A L E -F 93 0B 1 47,-2.8 47,-2.6 -2,-0.4 2,-0.2 -0.931 4.7-163.4-120.2 155.7 -19.4 -10.6 -37.9 47 56 A W E > -F 92 0B 3 -2,-0.3 4,-2.9 45,-0.3 3,-0.4 -0.657 45.9 -71.1-122.7-179.3 -22.8 -9.0 -37.7 48 57 A H H > S+ 0 0 8 43,-1.7 4,-2.6 1,-0.2 5,-0.2 0.848 129.2 53.9 -37.6 -50.7 -24.7 -6.8 -35.3 49 58 A N H > S+ 0 0 2 308,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.935 114.4 39.5 -57.4 -49.2 -25.0 -9.6 -32.7 50 59 A G H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.852 113.9 54.0 -68.4 -36.5 -21.3 -10.3 -32.7 51 60 A L H X S+ 0 0 18 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.863 107.3 52.1 -67.0 -33.7 -20.4 -6.6 -32.8 52 61 A R H X S+ 0 0 55 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.879 106.6 53.0 -69.6 -37.6 -22.6 -6.1 -29.8 53 62 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.953 108.5 50.7 -57.9 -47.7 -20.8 -8.8 -28.0 54 63 A L H X>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.8 0.902 109.1 50.9 -57.5 -43.1 -17.5 -7.0 -28.8 55 64 A E H ><5S+ 0 0 94 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.936 110.3 49.4 -56.6 -47.4 -19.0 -3.8 -27.4 56 65 A G H 3<5S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 112.4 48.8 -62.8 -28.9 -19.9 -5.7 -24.2 57 66 A L H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.458 110.9-120.3 -86.7 -5.7 -16.4 -7.1 -24.0 58 67 A G T <<5S+ 0 0 47 -3,-1.3 -3,-0.2 -4,-0.6 4,-0.1 0.836 88.8 106.3 65.0 31.4 -14.7 -3.7 -24.5 59 68 A A >< + 0 0 1 -5,-2.8 4,-0.8 -6,-0.2 -4,-0.2 0.257 43.1 95.4-122.1 8.9 -13.1 -5.1 -27.7 60 69 A L H > S+ 0 0 30 -6,-0.8 4,-2.8 1,-0.2 3,-0.4 0.889 77.1 57.9 -70.8 -40.9 -15.1 -3.3 -30.4 61 70 A D H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 106.9 47.3 -58.5 -45.6 -12.8 -0.4 -31.0 62 71 A D H 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.746 114.3 49.6 -69.1 -25.3 -9.8 -2.5 -31.9 63 72 A V H < S+ 0 0 0 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.935 110.0 46.6 -77.6 -49.8 -11.9 -4.6 -34.2 64 73 A L H >< S+ 0 0 60 -4,-2.8 3,-1.7 2,-0.1 2,-0.6 0.898 97.9 79.4 -64.0 -39.5 -13.6 -1.8 -36.1 65 74 A Q T 3< S+ 0 0 155 -4,-2.1 3,-0.1 -5,-0.3 0, 0.0 -0.580 109.2 12.3 -65.7 115.4 -10.3 -0.0 -36.6 66 75 A G T 3 S+ 0 0 34 -2,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.614 110.4 95.5 90.8 12.8 -8.7 -2.0 -39.5 67 76 A S < - 0 0 13 -3,-1.7 -1,-0.4 28,-0.1 2,-0.4 -0.684 62.9-124.3-124.5-175.0 -11.7 -3.9 -40.7 68 77 A H B -G 94 0B 30 26,-2.5 26,-3.0 -2,-0.2 141,-0.0 -0.974 14.2-161.6-141.3 135.1 -14.3 -3.3 -43.4 69 78 A T - 0 0 56 -2,-0.4 24,-0.1 24,-0.2 139,-0.1 -0.960 32.6-135.9-110.9 113.0 -18.0 -3.0 -44.0 70 79 A P - 0 0 4 0, 0.0 119,-0.2 0, 0.0 3,-0.1 -0.245 17.1-119.7 -58.8 150.9 -18.6 -3.5 -47.8 71 80 A P S S- 0 0 86 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.773 93.2 -4.8 -62.5 -25.5 -21.1 -1.0 -49.4 72 81 A T - 0 0 14 116,-0.1 118,-2.0 2,-0.0 2,-0.7 -0.976 65.4-118.8-161.9 157.0 -23.2 -4.0 -50.3 73 82 A Y E -Hi 85 190C 10 12,-2.6 12,-2.8 -2,-0.3 2,-0.3 -0.934 43.8-168.8-102.1 109.4 -23.4 -7.8 -50.1 74 83 A E E -Hi 84 191C 8 116,-3.0 118,-2.8 -2,-0.7 2,-0.4 -0.777 12.9-157.2-108.7 145.0 -23.6 -8.9 -53.8 75 84 A T E -Hi 83 192C 3 8,-2.4 7,-2.8 -2,-0.3 8,-1.3 -0.978 6.4-167.5-122.5 134.5 -24.4 -12.2 -55.3 76 85 A W E -Hi 81 193C 35 116,-3.0 118,-2.6 -2,-0.4 2,-0.4 -0.941 7.7-166.2-115.9 143.0 -23.5 -13.4 -58.8 77 86 A M E > S-Hi 80 194C 36 3,-2.5 3,-1.9 -2,-0.4 118,-0.2 -0.988 84.8 -16.9-122.6 121.2 -24.7 -16.5 -60.7 78 87 A H T 3 S- 0 0 77 116,-2.6 117,-0.1 -2,-0.4 -1,-0.1 0.901 129.1 -54.8 49.6 43.4 -22.6 -17.3 -63.8 79 88 A N T 3 S+ 0 0 84 115,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.464 113.1 118.6 72.3 6.1 -21.1 -13.8 -63.6 80 89 A K E < S-H 77 0C 141 -3,-1.9 -3,-2.5 2,-0.0 2,-0.4 -0.891 70.1-121.5-102.1 127.5 -24.5 -12.1 -63.7 81 90 A S E +H 76 0C 41 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.571 35.3 173.0 -69.5 120.5 -25.3 -10.0 -60.6 82 91 A V E + 0 0 57 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.626 59.3 4.2-106.2 -19.1 -28.5 -11.4 -59.1 83 92 A S E -H 75 0C 8 -8,-1.3 -8,-2.4 263,-0.1 2,-0.4 -0.979 44.3-160.7-162.5 153.6 -28.8 -9.4 -55.9 84 93 A K E -H 74 0C 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.977 23.9-172.6-134.2 121.1 -27.4 -6.6 -53.8 85 94 A E E +H 73 0C 19 -12,-2.8 -12,-2.6 -2,-0.4 -2,-0.0 -0.948 24.8 169.6-122.5 135.7 -28.3 -6.7 -50.1 86 95 A T > - 0 0 77 -2,-0.4 3,-1.1 -14,-0.2 4,-0.2 0.310 44.1-128.4-124.6 4.8 -27.7 -4.1 -47.4 87 96 A F G > - 0 0 9 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.746 56.4 -74.2 62.2 29.9 -29.9 -5.6 -44.6 88 97 A N G 3 S- 0 0 107 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.887 97.3 -48.6 48.3 44.2 -31.8 -2.4 -43.9 89 98 A G G < S+ 0 0 45 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.395 89.1 157.2 84.9 -3.6 -28.8 -0.9 -42.0 90 99 A L < - 0 0 2 -3,-2.0 -1,-0.3 -4,-0.2 268,-0.1 -0.366 48.3-112.9 -56.1 123.5 -28.1 -3.9 -39.8 91 100 A P + 0 0 47 0, 0.0 -43,-1.7 0, 0.0 2,-0.3 -0.295 46.7 162.0 -64.2 142.1 -24.4 -3.5 -38.9 92 101 A W E -F 47 0B 14 -45,-0.3 2,-0.3 -44,-0.1 -45,-0.3 -0.959 14.0-167.6-152.8 168.9 -21.9 -6.1 -40.2 93 102 A R E -F 46 0B 52 -47,-2.6 -47,-2.8 -2,-0.3 2,-0.4 -0.991 13.1-148.7-161.2 145.3 -18.1 -6.3 -40.7 94 103 A I E +FG 45 68B 0 -26,-3.0 -26,-2.5 -2,-0.3 2,-0.3 -0.954 29.5 153.0-119.1 144.1 -15.4 -8.4 -42.4 95 104 A M E -F 44 0B 0 -51,-2.0 -51,-2.4 -2,-0.4 2,-0.1 -0.976 47.3 -88.5-157.3 161.9 -11.9 -8.8 -40.9 96 105 A T E > -F 43 0B 4 -2,-0.3 4,-1.7 -53,-0.2 -53,-0.3 -0.475 39.2-119.2 -70.4 153.5 -9.0 -11.3 -41.0 97 106 A R H > S+ 0 0 54 -55,-2.6 4,-2.9 1,-0.2 5,-0.2 0.898 116.1 55.1 -58.6 -41.1 -9.2 -13.9 -38.3 98 107 A S H > S+ 0 0 49 -56,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.870 103.2 56.3 -62.8 -34.6 -6.0 -12.7 -36.8 99 108 A H H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 112.4 40.0 -62.6 -45.9 -7.5 -9.2 -36.5 100 109 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.937 115.9 52.5 -67.1 -45.6 -10.4 -10.4 -34.4 101 110 A H H X S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.925 108.4 50.0 -54.4 -50.1 -8.1 -12.8 -32.5 102 111 A D H X S+ 0 0 83 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.887 108.8 52.0 -60.7 -41.4 -5.7 -10.0 -31.6 103 112 A A H X S+ 0 0 3 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.919 113.9 43.6 -61.9 -43.5 -8.4 -7.7 -30.4 104 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 114.8 48.0 -68.8 -45.4 -9.8 -10.4 -28.1 105 114 A V H X S+ 0 0 11 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.940 112.0 49.9 -61.8 -46.5 -6.3 -11.6 -26.8 106 115 A N H X S+ 0 0 90 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.904 112.2 47.9 -60.5 -40.6 -5.2 -8.0 -26.1 107 116 A R H X S+ 0 0 68 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.913 110.9 50.7 -65.5 -43.9 -8.5 -7.3 -24.2 108 117 A A H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.6 0.913 113.3 46.1 -59.4 -43.3 -8.1 -10.6 -22.1 109 118 A R H ><5S+ 0 0 135 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.886 108.6 54.9 -69.1 -38.9 -4.5 -9.7 -21.2 110 119 A A H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.9 48.2 -59.9 -35.6 -5.5 -6.1 -20.3 111 120 A L H 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.564 119.8-109.1 -82.4 -10.9 -8.1 -7.4 -17.9 112 121 A G T <<5 + 0 0 36 -3,-0.9 2,-0.4 -4,-0.6 -84,-0.3 0.800 54.7 165.9 84.1 29.4 -5.7 -9.9 -16.3 113 122 A V < - 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