==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-SEP-12 4H2Q . COMPND 2 MOLECULE: 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYG . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM LOTI; . AUTHOR J.KOBAYASHI,H.YOSHIDA,B.MIKAMI,H.HAYASHI,S.KAMITORI,T.YAGI . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.8 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 . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 25.4 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 2 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 2 1 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 0 244 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.9 -9.1 15.2 63.9 2 11 A T - 0 0 99 24,-0.1 24,-0.1 1,-0.0 2,-0.1 -0.731 360.0-134.3 -82.7 115.8 -10.8 14.9 60.5 3 12 A R - 0 0 73 -2,-0.8 24,-3.1 22,-0.2 2,-0.4 -0.418 17.8-140.6 -66.0 142.4 -9.1 17.3 58.2 4 13 A R E -a 27 0A 87 22,-0.2 137,-2.0 -2,-0.1 138,-1.4 -0.915 16.7-171.0-113.0 128.7 -11.7 19.3 56.1 5 14 A A E -ab 28 142A 0 22,-3.1 24,-2.2 -2,-0.4 2,-0.5 -0.977 8.2-162.2-119.9 136.9 -11.2 20.2 52.5 6 15 A E E -ab 29 143A 1 136,-2.5 138,-2.6 -2,-0.4 2,-0.5 -0.980 11.9-163.6-115.4 122.5 -13.3 22.5 50.4 7 16 A V E -ab 30 144A 0 22,-2.9 24,-3.0 -2,-0.5 2,-0.6 -0.924 6.8-153.8-110.8 126.9 -12.8 22.1 46.6 8 17 A A E +ab 31 145A 1 136,-3.0 138,-2.1 -2,-0.5 24,-0.2 -0.897 64.1 32.7-100.7 116.4 -14.0 24.8 44.1 9 18 A G - 0 0 9 22,-3.3 23,-0.2 -2,-0.6 138,-0.1 0.262 58.9-138.8 111.2 129.2 -14.8 23.3 40.7 10 19 A G + 0 0 2 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 -0.156 64.4 111.5-110.5 35.5 -16.2 20.0 39.4 11 20 A G S > S- 0 0 31 135,-0.5 4,-2.5 26,-0.1 5,-0.3 -0.127 91.9 -74.4 -86.9-164.4 -13.9 19.5 36.4 12 21 A F H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.886 132.4 50.0 -65.7 -34.5 -11.3 16.9 36.0 13 22 A A H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.950 113.5 43.2 -69.1 -46.6 -8.9 18.7 38.4 14 23 A G H > S+ 0 0 0 132,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.896 114.9 48.8 -68.3 -40.7 -11.5 19.2 41.2 15 24 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.899 111.8 50.1 -64.7 -41.1 -12.9 15.7 41.0 16 25 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.943 112.6 46.8 -61.9 -47.9 -9.4 14.2 41.0 17 26 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.932 113.0 49.6 -58.8 -46.8 -8.5 16.3 44.1 18 27 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.915 113.4 44.5 -61.8 -45.6 -11.7 15.4 45.9 19 28 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.934 114.4 49.2 -63.3 -47.5 -11.4 11.7 45.2 20 29 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.896 114.6 44.6 -61.8 -43.0 -7.7 11.6 46.2 21 30 A L H <>S+ 0 0 2 -4,-2.6 5,-2.3 -5,-0.2 3,-0.4 0.909 112.1 51.7 -67.0 -42.7 -8.3 13.5 49.4 22 31 A K H ><5S+ 0 0 61 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.898 105.6 55.6 -62.9 -39.2 -11.4 11.5 50.4 23 32 A Q H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.0 53.0 -60.6 -30.9 -9.4 8.2 49.9 24 33 A N T 3<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.279 128.9 -95.7 -90.1 8.6 -6.9 9.6 52.4 25 34 A G T < 5S+ 0 0 48 -3,-1.7 -3,-0.2 1,-0.3 -22,-0.2 0.541 73.8 146.2 93.1 8.9 -9.6 10.3 55.0 26 35 A W < - 0 0 1 -5,-2.3 2,-0.9 -6,-0.1 -1,-0.3 -0.476 54.8-122.6 -71.0 146.5 -10.3 13.9 54.4 27 36 A D E -a 4 0A 46 -24,-3.1 -22,-3.1 -2,-0.1 2,-0.5 -0.871 44.6-168.8 -83.5 108.8 -13.8 15.3 54.9 28 37 A V E -a 5 0A 1 -2,-0.9 86,-2.1 -24,-0.2 2,-0.4 -0.905 22.1-180.0-115.1 129.1 -14.3 16.7 51.3 29 38 A R E -ac 6 114A 58 -24,-2.2 -22,-2.9 -2,-0.5 2,-0.4 -0.976 12.7-159.1-120.0 136.1 -16.9 18.9 49.9 30 39 A L E -ac 7 115A 0 84,-3.3 86,-2.8 -2,-0.4 2,-0.5 -0.962 1.1-156.5-119.3 138.3 -16.9 20.0 46.2 31 40 A H E -ac 8 116A 10 -24,-3.0 -22,-3.3 -2,-0.4 2,-0.5 -0.948 5.7-170.2-120.1 115.3 -18.7 23.0 44.8 32 41 A E - 0 0 31 84,-3.2 87,-2.5 -2,-0.5 86,-0.3 -0.923 13.9-153.4-105.7 124.9 -19.6 23.3 41.2 33 42 A K S S+ 0 0 118 -2,-0.5 87,-0.2 85,-0.3 -1,-0.1 0.866 71.8 83.8 -61.4 -41.4 -20.9 26.6 39.9 34 43 A S S S- 0 0 30 85,-0.1 84,-2.7 84,-0.1 85,-0.3 -0.165 87.3-119.0 -66.6 160.1 -22.9 25.2 37.1 35 44 A S S S+ 0 0 65 82,-0.2 2,-0.3 83,-0.1 82,-0.1 0.685 96.8 29.6 -73.6 -19.1 -26.5 23.9 37.6 36 45 A E S S- 0 0 122 81,-0.0 2,-0.7 2,-0.0 -2,-0.1 -0.923 87.8-106.1-133.8 159.9 -25.4 20.4 36.5 37 46 A L + 0 0 40 -2,-0.3 2,-0.3 80,-0.1 -26,-0.1 -0.823 61.7 146.3 -84.5 112.2 -22.3 18.3 36.6 38 47 A R - 0 0 116 -2,-0.7 2,-0.4 -28,-0.1 -4,-0.1 -0.980 41.4-141.7-148.6 155.0 -21.1 18.3 32.9 39 48 A A - 0 0 22 -2,-0.3 3,-0.3 -28,-0.1 2,-0.2 -0.985 17.9-159.7-123.3 124.9 -17.9 18.3 30.9 40 49 A F + 0 0 120 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.599 59.2 71.8 -96.6 160.0 -17.6 20.3 27.7 41 50 A G S S- 0 0 12 -2,-0.2 2,-2.0 131,-0.2 -1,-0.2 0.416 84.1-120.2 117.9 0.6 -15.2 19.8 24.8 42 51 A A S S+ 0 0 23 -3,-0.3 55,-2.6 130,-0.1 56,-0.5 -0.445 80.0 13.5 73.0 -75.3 -16.5 16.6 23.1 43 52 A G E -F 96 0B 0 -2,-2.0 2,-0.3 53,-0.3 53,-0.2 -0.774 60.9-162.1-131.2 174.1 -13.5 14.3 23.5 44 53 A I E -F 95 0B 11 51,-2.5 51,-2.1 -2,-0.2 2,-0.4 -0.986 13.5-137.0-159.6 143.5 -10.2 13.9 25.2 45 54 A Y E -F 94 0B 16 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.867 19.3-172.3 -97.3 136.9 -6.9 12.1 25.1 46 55 A L E -F 93 0B 1 47,-2.8 47,-2.7 -2,-0.4 2,-0.2 -0.932 4.6-162.9-120.2 156.0 -5.3 10.6 28.2 47 56 A W E > -F 92 0B 3 -2,-0.3 4,-3.0 45,-0.3 3,-0.5 -0.660 45.6 -72.1-122.9-179.8 -1.8 9.1 28.5 48 57 A H H > S+ 0 0 8 43,-1.7 4,-2.7 1,-0.2 5,-0.2 0.851 128.5 54.9 -40.1 -49.2 0.0 6.9 30.9 49 58 A N H > S+ 0 0 2 308,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.931 114.2 38.9 -57.0 -48.2 0.3 9.7 33.5 50 59 A G H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.853 114.0 54.3 -71.0 -35.8 -3.4 10.3 33.5 51 60 A L H X S+ 0 0 16 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.869 107.5 51.9 -65.2 -34.6 -4.3 6.7 33.3 52 61 A R H X S+ 0 0 54 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.891 106.9 52.5 -69.2 -39.8 -2.0 6.1 36.4 53 62 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.955 108.7 51.1 -55.5 -48.0 -3.9 8.9 38.2 54 63 A L H X>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-0.8 0.900 108.7 50.6 -57.9 -41.7 -7.1 7.0 37.4 55 64 A E H ><5S+ 0 0 93 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.936 110.3 50.0 -57.7 -46.9 -5.7 3.8 38.8 56 65 A G H 3<5S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.759 111.7 49.2 -62.1 -27.3 -4.7 5.7 41.9 57 66 A L H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.432 111.2-119.2 -90.3 -4.4 -8.3 7.1 42.1 58 67 A G T <<5S+ 0 0 46 -3,-1.3 -3,-0.2 -4,-0.5 4,-0.1 0.826 90.1 104.3 66.8 29.8 -9.9 3.7 41.7 59 68 A A >< + 0 0 2 -5,-2.7 4,-1.1 -6,-0.2 -4,-0.2 0.259 42.2 97.3-122.4 9.1 -11.6 5.0 38.5 60 69 A L H > S+ 0 0 32 -6,-0.8 4,-2.9 1,-0.2 5,-0.3 0.915 78.8 56.1 -67.0 -44.7 -9.5 3.3 35.8 61 70 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 107.7 47.5 -54.5 -48.6 -11.8 0.3 35.2 62 71 A D H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.808 114.2 49.1 -65.7 -30.4 -14.8 2.5 34.4 63 72 A V H < S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.945 109.4 48.4 -74.0 -49.1 -12.7 4.6 32.0 64 73 A L H >< S+ 0 0 58 -4,-2.9 3,-1.6 2,-0.1 2,-0.5 0.884 96.5 81.4 -62.9 -38.2 -11.1 1.8 30.0 65 74 A Q T 3< S+ 0 0 151 -4,-2.1 3,-0.1 -5,-0.3 0, 0.0 -0.564 107.7 11.4 -64.5 118.3 -14.5 0.2 29.5 66 75 A G T 3 S+ 0 0 24 -2,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.650 110.1 97.1 86.0 15.8 -16.0 2.1 26.6 67 76 A S < - 0 0 11 -3,-1.6 2,-0.4 28,-0.1 -1,-0.4 -0.781 62.4-126.2-128.2 178.9 -12.9 4.0 25.5 68 77 A H B -G 94 0B 31 26,-2.5 26,-3.0 -2,-0.2 141,-0.1 -0.951 13.7-161.2-135.9 135.8 -10.4 3.3 22.8 69 78 A T - 0 0 56 -2,-0.4 24,-0.1 24,-0.2 139,-0.1 -0.963 32.9-136.0-109.1 113.5 -6.6 3.0 22.2 70 79 A P - 0 0 4 0, 0.0 119,-0.2 0, 0.0 3,-0.1 -0.270 16.0-120.2 -60.0 152.9 -6.0 3.5 18.5 71 80 A P S S- 0 0 86 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.778 93.2 -3.8 -63.4 -25.5 -3.5 1.0 16.8 72 81 A T - 0 0 14 116,-0.1 118,-2.0 2,-0.0 2,-0.7 -0.979 64.7-120.0-161.2 157.1 -1.4 4.1 15.9 73 82 A Y E -Hi 85 190C 11 12,-2.6 12,-2.5 -2,-0.3 2,-0.3 -0.932 43.7-168.9-101.7 108.6 -1.3 7.9 16.1 74 83 A E E -Hi 84 191C 8 116,-2.9 118,-2.8 -2,-0.7 2,-0.4 -0.779 13.0-157.3-108.0 145.0 -1.1 8.9 12.4 75 84 A T E -Hi 83 192C 3 8,-2.4 7,-2.8 -2,-0.3 8,-1.3 -0.979 6.5-167.9-121.5 133.8 -0.3 12.2 10.9 76 85 A W E -Hi 81 193C 35 116,-3.0 118,-2.6 -2,-0.4 2,-0.4 -0.938 7.5-166.3-115.2 143.8 -1.2 13.4 7.4 77 86 A M E > S-Hi 80 194C 36 3,-2.4 3,-1.9 -2,-0.4 118,-0.2 -0.990 84.4 -16.4-123.6 120.2 -0.0 16.5 5.5 78 87 A H T 3 S- 0 0 77 116,-2.6 117,-0.1 -2,-0.4 -1,-0.1 0.901 129.4 -54.5 52.0 43.4 -2.1 17.3 2.4 79 88 A N T 3 S+ 0 0 84 115,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.468 113.4 118.5 70.9 6.1 -3.6 13.7 2.5 80 89 A K E < -H 77 0C 144 -3,-1.9 -3,-2.4 2,-0.0 2,-0.4 -0.894 69.6-122.3-102.0 126.6 -0.1 12.1 2.5 81 90 A S E +H 76 0C 39 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.556 34.9 172.5 -68.6 121.2 0.7 10.0 5.6 82 91 A V E + 0 0 58 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.596 59.3 5.3-107.2 -18.0 3.9 11.4 7.0 83 92 A S E -H 75 0C 8 -8,-1.3 -8,-2.4 263,-0.1 2,-0.4 -0.975 44.0-161.5-162.5 155.1 4.1 9.4 10.3 84 93 A K E -H 74 0C 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.977 24.1-172.9-136.5 120.9 2.7 6.6 12.4 85 94 A E E +H 73 0C 19 -12,-2.5 -12,-2.6 -2,-0.4 -2,-0.0 -0.948 24.9 169.1-124.6 136.7 3.7 6.7 16.1 86 95 A T > - 0 0 78 -2,-0.4 3,-1.1 -14,-0.2 4,-0.2 0.312 43.8-128.8-127.1 3.1 3.0 4.2 18.8 87 96 A F G > - 0 0 9 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.751 56.2 -74.6 62.6 29.6 5.3 5.6 21.5 88 97 A N G 3 S- 0 0 101 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.886 97.7 -47.8 49.0 44.2 7.1 2.3 22.3 89 98 A G G < S+ 0 0 44 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.360 88.4 157.6 84.4 -5.9 4.1 0.9 24.2 90 99 A L < - 0 0 2 -3,-2.0 -1,-0.3 -4,-0.2 268,-0.1 -0.337 48.2-113.0 -51.8 122.1 3.4 4.0 26.3 91 100 A P + 0 0 45 0, 0.0 -43,-1.7 0, 0.0 2,-0.3 -0.292 47.0 161.6 -64.5 142.8 -0.3 3.6 27.3 92 101 A W E -F 47 0B 13 -45,-0.3 2,-0.3 -44,-0.1 -45,-0.3 -0.963 14.2-168.2-154.0 167.8 -2.8 6.1 25.9 93 102 A R E -F 46 0B 51 -47,-2.7 -47,-2.8 -2,-0.3 2,-0.4 -0.991 13.4-147.7-160.6 145.2 -6.5 6.4 25.5 94 103 A I E +FG 45 68B 0 -26,-3.0 -26,-2.5 -2,-0.3 2,-0.3 -0.947 30.2 152.5-117.9 143.2 -9.2 8.4 23.7 95 104 A M E -F 44 0B 0 -51,-2.1 -51,-2.5 -2,-0.4 2,-0.1 -0.980 47.3 -87.9-157.0 162.4 -12.7 8.9 25.2 96 105 A T E > -F 43 0B 8 -2,-0.3 4,-1.8 -53,-0.2 -53,-0.3 -0.480 38.6-119.8 -70.5 153.1 -15.6 11.3 25.2 97 106 A R H > S+ 0 0 57 -55,-2.6 4,-2.8 1,-0.2 5,-0.2 0.898 115.8 54.2 -57.6 -41.5 -15.4 14.0 27.9 98 107 A S H > S+ 0 0 65 -56,-0.5 4,-3.2 1,-0.2 5,-0.2 0.874 103.8 56.1 -62.4 -36.8 -18.6 12.8 29.4 99 108 A H H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 112.6 40.1 -61.3 -46.0 -17.2 9.3 29.7 100 109 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.930 116.7 50.1 -68.6 -45.0 -14.2 10.5 31.7 101 110 A H H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.919 109.4 50.8 -59.6 -46.3 -16.4 12.9 33.7 102 111 A D H X S+ 0 0 90 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.903 108.2 52.4 -60.1 -43.9 -19.0 10.3 34.6 103 112 A A H X S+ 0 0 4 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.910 113.0 44.8 -59.4 -42.7 -16.3 7.9 35.8 104 113 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 113.9 48.1 -68.5 -45.4 -14.9 10.5 38.1 105 114 A V H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.942 111.7 50.6 -60.3 -45.8 -18.3 11.7 39.4 106 115 A N H X S+ 0 0 90 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.898 111.7 47.7 -62.0 -38.5 -19.4 8.1 40.0 107 116 A R H X S+ 0 0 68 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.924 111.0 50.3 -67.6 -44.3 -16.2 7.4 42.0 108 117 A A H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.5 0.911 113.1 47.0 -59.2 -42.5 -16.5 10.6 44.1 109 118 A R H ><5S+ 0 0 137 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.906 108.3 54.6 -66.6 -41.5 -20.1 9.7 44.9 110 119 A A H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.9 48.3 -60.3 -33.3 -19.2 6.1 45.8 111 120 A L H 3<5S- 0 0 44 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.547 119.4-111.1 -83.5 -10.1 -16.7 7.4 48.2 112 121 A G T <<5 + 0 0 48 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.783 52.6 168.4 82.6 27.4 -19.1 9.9 49.8 113 122 A V < - 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