==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-SEP-12 4HAD . COMPND 2 MOLECULE: PROBABLE OXIDOREDUCTASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 1266 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 945 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 85 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 4 4 4 0 0 5 11 0 0 0 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 4 0 4 4 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 4 0 5 9 0 4 4 4 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 4 0 0 0 0 0 0 0 0 0 0 0 2 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 0 A S 0 0 160 0, 0.0 2,-0.3 0, 0.0 365,-0.0 0.000 360.0 360.0 360.0 126.8 22.9 57.6 91.6 2 1 A X - 0 0 45 26,-0.1 2,-0.4 1,-0.1 26,-0.3 -0.582 360.0-121.4 -85.0 135.0 26.1 59.7 91.9 3 2 A L E -a 28 0A 20 24,-2.4 26,-2.2 -2,-0.3 2,-0.6 -0.620 34.1-133.2 -68.3 128.7 27.1 62.4 89.4 4 3 A R E -a 29 0A 85 -2,-0.4 63,-3.0 24,-0.2 64,-1.9 -0.803 20.7-158.0 -98.9 119.5 30.5 61.2 88.2 5 4 A F E -ab 30 68A 0 24,-3.1 26,-2.3 -2,-0.6 27,-1.5 -0.720 8.8-161.6 -98.6 140.7 33.3 63.9 88.1 6 5 A G E -ab 32 69A 0 62,-2.2 64,-2.4 -2,-0.3 2,-0.6 -0.944 16.9-140.0-111.2 142.2 36.4 63.9 86.1 7 6 A I E -ab 33 70A 0 25,-2.0 27,-2.5 -2,-0.4 2,-1.0 -0.906 4.7-144.4-106.5 123.0 39.3 66.2 87.1 8 7 A I E S-a 34 0A 0 62,-2.5 3,-0.2 -2,-0.6 27,-0.1 -0.751 71.1 -15.2 -88.3 103.2 41.2 68.1 84.5 9 8 A S S S- 0 0 13 25,-2.7 25,-0.2 -2,-1.0 26,-0.1 0.114 75.3 -95.6 87.0 160.4 44.8 68.3 85.8 10 9 A T + 0 0 24 23,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.146 61.5 163.8 -98.2 35.1 46.3 67.6 89.3 11 10 A A >> - 0 0 29 -3,-0.2 4,-2.0 1,-0.1 3,-0.7 -0.185 48.0-115.5 -60.4 153.7 46.3 71.3 90.2 12 11 A K H 3> S+ 0 0 143 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.808 111.9 59.5 -63.7 -39.4 46.7 72.1 93.9 13 12 A I H 3>>S+ 0 0 50 59,-0.2 5,-1.7 2,-0.2 4,-1.5 0.862 110.1 45.4 -56.9 -39.7 43.3 73.6 94.4 14 13 A G H <4>S+ 0 0 1 -3,-0.7 5,-2.6 3,-0.2 -2,-0.2 0.954 115.2 45.8 -66.5 -49.8 41.8 70.3 93.3 15 14 A R H <5S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.869 120.4 38.2 -60.4 -41.6 44.1 68.2 95.5 16 15 A D H <5S- 0 0 39 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.749 135.5 -1.4 -87.7 -25.9 43.7 70.3 98.6 17 16 A N T X5S+ 0 0 16 -4,-1.5 4,-1.3 -5,-0.3 -3,-0.2 0.697 122.1 43.4-131.7 -57.9 40.0 71.2 98.5 18 17 A V H > S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 112.2 55.2 -61.9 -33.3 38.2 65.5 98.7 21 20 A A H X S+ 0 0 12 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.878 106.1 50.8 -65.2 -36.5 35.0 67.5 98.9 22 21 A I H < S+ 0 0 0 -4,-2.4 6,-0.3 2,-0.2 -1,-0.2 0.934 110.3 49.1 -66.3 -41.4 33.5 65.6 95.9 23 22 A Q H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.915 114.3 46.4 -64.0 -37.3 34.4 62.3 97.6 24 23 A D H < S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.819 93.0 105.6 -69.5 -31.0 32.7 63.6 100.8 25 24 A A < - 0 0 0 -4,-1.9 3,-0.4 -5,-0.2 249,-0.1 -0.109 69.7-136.1 -60.4 146.4 29.7 64.9 98.9 26 25 A E S S+ 0 0 112 1,-0.2 -1,-0.1 247,-0.1 -4,-0.0 0.752 97.1 32.5 -74.3 -27.4 26.4 63.0 99.1 27 26 A N S S+ 0 0 40 -25,-0.1 -24,-2.4 -5,-0.0 2,-0.3 0.178 114.8 49.1-124.0 13.0 25.4 63.1 95.5 28 27 A C E -a 3 0A 0 -3,-0.4 2,-0.3 -6,-0.3 -24,-0.2 -0.956 50.7-174.2-146.4 173.1 28.6 63.0 93.6 29 28 A V E -a 4 0A 10 -26,-2.2 -24,-3.1 -2,-0.3 2,-0.6 -0.976 31.3-110.6-158.7 151.9 31.9 61.1 93.3 30 29 A V E +a 5 0A 0 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.875 34.5 167.9 -93.6 119.9 35.2 61.4 91.4 31 30 A T E + 0 0 15 -26,-2.3 21,-1.7 -2,-0.6 2,-0.3 0.610 61.5 24.0-103.5 -18.1 35.6 58.6 88.8 32 31 A A E -ac 6 52A 0 -27,-1.5 -25,-2.0 19,-0.2 2,-0.4 -1.000 50.3-163.3-151.0 149.3 38.6 59.9 86.8 33 32 A I E -ac 7 53A 0 19,-1.5 21,-2.8 -2,-0.3 2,-0.4 -0.990 16.4-162.6-127.0 140.6 41.6 62.2 86.9 34 33 A A E +ac 8 54A 0 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.3 -0.965 17.2 154.8-127.5 139.0 43.4 63.3 83.8 35 34 A S - 0 0 12 19,-1.9 6,-0.1 -2,-0.4 -2,-0.0 -0.973 52.2-119.5-153.7 152.1 46.9 64.8 83.3 36 35 A R S S+ 0 0 147 -2,-0.3 2,-0.8 1,-0.2 3,-0.1 0.743 113.2 62.5 -58.0 -26.6 49.5 65.1 80.6 37 36 A D S > S- 0 0 57 1,-0.2 4,-1.8 17,-0.1 3,-0.3 -0.894 73.0-169.3-104.1 98.6 51.6 63.1 83.1 38 37 A L H > S+ 0 0 91 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.844 84.4 58.5 -57.5 -38.4 49.8 59.8 83.6 39 38 A T H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 106.5 48.7 -60.0 -45.2 52.0 58.9 86.6 40 39 A R H > S+ 0 0 145 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 111.5 49.4 -57.1 -47.4 50.8 62.0 88.4 41 40 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.906 111.3 49.1 -59.1 -45.4 47.2 61.3 87.6 42 41 A R H X S+ 0 0 88 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.857 109.4 52.5 -65.3 -39.5 47.5 57.7 88.8 43 42 A E H X S+ 0 0 121 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.903 113.1 43.8 -63.2 -43.5 49.2 58.8 92.1 44 43 A X H X S+ 0 0 11 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 112.9 52.1 -67.1 -45.4 46.4 61.3 92.8 45 44 A A H X>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.6 0.918 109.0 50.4 -57.7 -44.2 43.7 58.8 91.8 46 45 A D H ><5S+ 0 0 73 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.911 109.7 51.2 -60.5 -44.6 45.2 56.1 94.2 47 46 A R H 3<5S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.2 38.4 -58.4 -43.2 45.3 58.6 97.1 48 47 A F H 3<5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.245 113.5-107.2-101.4 10.2 41.6 59.7 96.7 49 48 A S T <<5 + 0 0 16 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.868 62.9 158.3 67.9 40.2 40.1 56.3 95.8 50 49 A V < - 0 0 4 -5,-2.9 -1,-0.2 -6,-0.2 -19,-0.2 -0.850 34.2-152.0-101.5 127.0 39.5 57.2 92.2 51 50 A P S S+ 0 0 70 0, 0.0 2,-0.4 0, 0.0 -19,-0.2 0.805 71.0 49.9 -73.9 -29.9 39.1 54.3 89.8 52 51 A H E -c 32 0A 78 -21,-1.7 -19,-1.5 13,-0.1 2,-0.4 -0.894 52.3-176.3-120.1 141.5 40.3 55.8 86.5 53 52 A A E -c 33 0A 21 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.998 12.4-162.6-128.9 133.2 43.4 57.8 85.5 54 53 A F E -c 34 0A 22 -21,-2.8 -19,-1.9 -2,-0.4 -13,-0.1 -0.910 20.7-143.1-119.5 148.6 43.9 59.2 82.0 55 54 A G S S+ 0 0 29 -2,-0.3 2,-0.3 -21,-0.2 -17,-0.2 0.353 86.0 28.8 -91.4 5.0 47.0 60.4 80.2 56 55 A S S > S- 0 0 33 1,-0.1 4,-1.4 -19,-0.1 5,-0.1 -0.975 71.6-126.4-157.9 153.5 45.2 63.3 78.3 57 56 A Y H > S+ 0 0 12 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.911 109.9 57.6 -64.3 -40.6 42.2 65.5 78.8 58 57 A E H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 103.0 52.3 -61.5 -41.4 40.8 64.5 75.5 59 58 A E H > S+ 0 0 112 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.912 110.9 47.1 -64.7 -42.2 40.7 60.8 76.3 60 59 A X H >< S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 6,-0.2 0.914 110.2 52.9 -62.4 -45.8 38.8 61.5 79.5 61 60 A L H 3< S+ 0 0 12 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.867 108.7 50.5 -59.7 -33.7 36.3 63.8 77.7 62 61 A A H 3< S+ 0 0 88 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.639 96.2 95.2 -75.8 -15.4 35.6 61.1 75.2 63 62 A S << - 0 0 22 -3,-1.0 3,-0.4 -4,-0.6 -3,-0.0 -0.386 68.0-145.0 -80.0 154.9 35.0 58.5 77.9 64 63 A D S S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.276 84.1 89.6 -96.2 9.6 31.6 57.5 79.3 65 64 A V S S+ 0 0 26 -5,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.574 86.8 53.5 -82.4 -9.4 33.0 57.0 82.8 66 65 A I - 0 0 1 -3,-0.4 -61,-0.2 -6,-0.2 3,-0.1 -0.944 50.6-175.1-123.3 149.4 32.4 60.7 83.7 67 66 A D S S+ 0 0 49 -63,-3.0 24,-2.0 -2,-0.3 2,-0.3 0.522 77.7 17.1-106.4 -19.6 29.2 62.9 83.5 68 67 A A E -bd 5 91A 0 -64,-1.9 -62,-2.2 22,-0.3 2,-0.4 -0.962 65.8-139.2-152.4 157.7 30.9 66.2 84.6 69 68 A V E -bd 6 92A 0 22,-2.6 24,-2.5 -2,-0.3 2,-0.4 -0.960 4.3-148.4-125.7 151.2 34.3 67.8 84.9 70 69 A Y E -bd 7 93A 1 -64,-2.4 -62,-2.5 -2,-0.4 24,-0.2 -0.959 16.7-159.3-111.1 133.6 36.0 70.1 87.3 71 70 A I E + d 0 94A 0 22,-2.2 24,-2.5 -2,-0.4 -62,-0.1 -0.865 24.9 161.8-123.5 95.0 38.5 72.5 85.8 72 71 A P + 0 0 9 0, 0.0 -59,-0.2 0, 0.0 -58,-0.1 -0.073 36.6 130.4 -99.6 30.7 41.2 74.0 88.1 73 72 A L S S- 0 0 11 1,-0.2 5,-0.1 2,-0.1 22,-0.1 -0.310 71.4 -75.8 -73.2 164.7 43.5 75.0 85.3 74 73 A P > - 0 0 76 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.298 49.4-105.4 -57.7 150.1 45.0 78.5 85.0 75 74 A T G >> S+ 0 0 20 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.821 117.9 64.8 -46.6 -43.7 42.5 81.2 83.8 76 75 A S G 34 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.635 107.3 43.2 -58.5 -16.2 44.1 81.3 80.4 77 76 A Q G <> S+ 0 0 57 -3,-2.7 4,-1.7 2,-0.1 -1,-0.3 0.440 89.5 89.8-108.1 -3.4 43.0 77.7 79.8 78 77 A H H <> S+ 0 0 2 -3,-1.7 4,-2.5 -4,-0.4 5,-0.2 0.922 86.1 47.3 -63.2 -48.2 39.4 77.9 81.2 79 78 A I H X S+ 0 0 37 -4,-0.6 4,-2.3 19,-0.2 5,-0.3 0.950 111.2 50.9 -60.7 -52.0 37.5 78.9 78.1 80 79 A E H > S+ 0 0 91 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 117.8 37.0 -51.8 -49.0 39.2 76.3 75.8 81 80 A W H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.816 111.5 57.3 -85.8 -26.7 38.5 73.4 78.2 82 81 A S H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.934 112.6 43.8 -61.4 -44.6 35.0 74.5 79.4 83 82 A I H X S+ 0 0 33 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.924 113.5 49.0 -68.9 -46.1 33.9 74.5 75.8 84 83 A K H X S+ 0 0 86 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.886 111.5 51.0 -60.9 -38.8 35.5 71.2 74.8 85 84 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 3,-0.4 0.954 112.7 44.6 -64.6 -47.4 34.0 69.6 77.9 86 85 A A H ><5S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.897 110.5 54.2 -61.0 -44.1 30.5 70.8 77.1 87 86 A D H 3<5S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.0 55.3 -65.4 -22.3 30.9 69.9 73.4 88 87 A A T 3<5S- 0 0 43 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.333 126.7-105.5 -86.9 6.0 31.8 66.4 74.7 89 88 A G T < 5S+ 0 0 43 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.650 76.5 135.3 81.8 16.8 28.5 66.4 76.5 90 89 A K < - 0 0 19 -5,-2.6 -22,-0.3 -6,-0.2 -1,-0.3 -0.771 55.9-122.5-100.5 143.0 29.9 66.9 80.0 91 90 A H E -d 68 0A 35 -24,-2.0 -22,-2.6 -2,-0.3 2,-0.4 -0.480 34.8-137.5 -73.7 154.0 28.6 69.4 82.6 92 91 A V E -de 69 119A 0 26,-2.8 28,-2.4 -24,-0.2 2,-0.6 -0.964 28.6-177.4-130.8 125.5 31.3 71.8 83.8 93 92 A V E -de 70 120A 1 -24,-2.5 -22,-2.2 -2,-0.4 2,-0.4 -0.982 25.8-172.3-109.4 112.2 32.4 73.4 87.0 94 93 A C E -de 71 121A 0 26,-2.6 28,-3.2 -2,-0.6 4,-0.1 -0.905 22.1-116.1-109.3 133.7 35.1 75.8 86.1 95 94 A E - 0 0 11 -24,-2.5 28,-0.1 -2,-0.4 -22,-0.1 -0.191 49.4 -66.8 -62.7 155.0 37.3 77.6 88.6 96 95 A K S S+ 0 0 17 26,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.492 111.2 46.4 -80.7 156.0 37.2 81.4 89.0 97 96 A P - 0 0 3 0, 0.0 -19,-0.1 0, 0.0 -1,-0.1 0.698 69.6-167.9 -74.5 145.3 38.0 83.7 87.4 98 97 A L + 0 0 1 -4,-0.1 2,-0.3 -2,-0.1 -19,-0.2 0.912 66.0 8.1 -63.0 -43.2 36.2 82.1 84.4 99 98 A A - 0 0 3 197,-0.1 3,-0.1 -21,-0.1 -23,-0.1 -0.848 56.7-129.6-140.7 165.6 37.7 84.6 81.8 100 99 A L S S+ 0 0 104 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.688 100.3 24.9 -84.9 -27.8 40.2 87.4 81.3 101 100 A K S > S- 0 0 137 1,-0.1 3,-1.4 202,-0.0 4,-0.4 -0.993 78.0-124.1-140.6 143.4 37.6 89.6 79.6 102 101 A A G > S+ 0 0 6 -2,-0.3 3,-2.1 198,-0.3 4,-0.3 0.889 108.7 61.3 -55.5 -45.2 33.8 89.7 79.9 103 102 A G G > S+ 0 0 44 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.732 90.7 69.5 -53.9 -28.6 33.3 89.3 76.2 104 103 A D G X S+ 0 0 70 -3,-1.4 3,-0.5 1,-0.2 4,-0.5 0.690 86.0 68.6 -64.0 -22.2 35.0 85.9 76.3 105 104 A I G X> S+ 0 0 1 -3,-2.1 4,-2.4 -4,-0.4 3,-0.7 0.741 79.0 77.7 -74.4 -20.1 32.1 84.4 78.2 106 105 A D H <> S+ 0 0 82 -3,-1.2 4,-2.3 -4,-0.3 -1,-0.2 0.888 93.1 51.2 -56.7 -40.8 29.7 84.6 75.2 107 106 A A H <> S+ 0 0 51 -3,-0.5 4,-1.5 -4,-0.4 -1,-0.3 0.803 108.9 51.1 -68.0 -28.2 31.3 81.5 73.7 108 107 A V H <> S+ 0 0 1 -3,-0.7 4,-2.3 -4,-0.5 -2,-0.2 0.900 109.0 50.8 -75.1 -40.4 30.9 79.6 76.9 109 108 A I H X S+ 0 0 27 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.908 109.0 51.7 -57.2 -43.7 27.3 80.5 77.1 110 109 A A H X S+ 0 0 47 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.897 110.0 49.3 -62.3 -38.3 26.9 79.3 73.5 111 110 A A H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.877 110.2 50.8 -69.8 -38.2 28.5 76.0 74.5 112 111 A R H X>S+ 0 0 41 -4,-2.3 5,-1.5 2,-0.2 4,-1.1 0.961 116.3 40.0 -59.4 -51.7 26.2 75.6 77.5 113 112 A D H <5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 114.6 51.9 -71.0 -39.7 23.0 76.2 75.5 114 113 A R H <5S+ 0 0 131 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.890 119.5 34.2 -63.6 -40.5 24.1 74.2 72.5 115 114 A N H <5S- 0 0 48 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.557 100.7-131.3 -95.6 -5.2 25.0 71.1 74.5 116 115 A K T <5 + 0 0 186 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.936 60.2 135.6 49.9 50.6 22.2 71.5 77.1 117 116 A V < - 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