==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-SEP-04 1XD9 . COMPND 2 MOLECULE: NITROGENASE IRON PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR S.B.JANG,M.S.JEONG,L.C.SEEFELDT,J.W.PETERS . 578 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 49 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 0 0 4 0 0 2 0 4 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 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 1 A A 0 0 147 0, 0.0 119,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-131.9 -19.4 -1.8 -8.5 2 2 A M - 0 0 61 117,-0.4 2,-0.5 1,-0.1 119,-0.2 0.146 360.0-150.8 -44.9 139.3 -15.8 -0.9 -7.1 3 3 A R E -a 121 0A 54 117,-1.8 119,-2.1 2,-0.0 2,-1.1 -0.938 9.1-140.3-118.4 127.7 -14.6 -1.1 -3.5 4 4 A Q E +a 122 0A 31 -2,-0.5 141,-2.0 117,-0.2 142,-1.9 -0.733 34.0 172.5 -95.2 101.2 -11.8 1.1 -2.0 5 5 A C E -ab 123 146A 0 117,-2.1 119,-1.0 -2,-1.1 2,-0.3 -0.769 18.1-174.2-109.8 149.9 -9.8 -1.0 0.2 6 6 A A E -ab 124 147A 0 140,-2.2 142,-2.2 -2,-0.3 2,-0.6 -0.996 13.5-148.4-142.5 137.6 -6.7 -0.6 2.2 7 7 A I E -ab 125 148A 1 117,-3.1 119,-2.5 -2,-0.3 2,-0.2 -0.935 20.7-178.6-108.3 117.2 -4.6 -3.0 4.3 8 8 A Y E +ab 126 149A 0 140,-1.4 142,-2.7 -2,-0.6 2,-0.2 -0.634 15.7 128.3-105.5 167.0 -2.8 -1.7 7.3 9 9 A G E -ab 127 150A 0 117,-0.7 119,-2.6 -2,-0.2 120,-0.4 -0.704 53.9 -66.8 157.0 157.0 -0.6 -3.4 9.8 10 10 A K > - 0 0 23 140,-0.5 3,-1.3 118,-0.3 5,-0.4 -0.115 61.4 -86.6 -60.0 153.2 2.9 -3.3 11.5 11 11 A G T 3 S+ 0 0 15 1,-0.2 -1,-0.1 2,-0.1 408,-0.0 -0.378 106.2 10.9 -65.8 135.1 6.1 -3.8 9.7 12 12 A G T 3 S+ 0 0 74 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.544 90.1 106.5 76.4 7.3 7.3 -7.4 9.3 13 13 A I S < S- 0 0 6 -3,-1.3 -2,-0.1 137,-0.1 138,-0.1 0.525 103.5 -94.2 -87.8 -2.4 4.1 -9.2 10.4 14 14 A G S > S+ 0 0 21 -4,-0.2 4,-2.0 136,-0.1 5,-0.2 0.795 72.6 150.6 97.5 35.3 3.5 -10.1 6.8 15 15 A K H > S+ 0 0 15 -5,-0.4 4,-2.1 1,-0.2 5,-0.1 0.951 76.3 43.8 -64.4 -46.3 1.2 -7.3 5.7 16 16 A S H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.802 112.8 51.3 -74.5 -26.3 2.4 -7.4 2.0 17 17 A T H > S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 113.0 44.8 -80.8 -33.9 2.4 -11.2 1.8 18 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.920 117.7 46.6 -67.8 -41.5 -1.2 -11.4 3.1 19 19 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.982 113.6 44.7 -67.9 -58.4 -2.1 -8.6 0.8 20 20 A Q H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.804 117.5 47.2 -55.9 -33.6 -0.5 -9.8 -2.4 21 21 A N H X S+ 0 0 1 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.936 111.6 45.6 -77.4 -47.4 -1.8 -13.3 -1.8 22 22 A L H X S+ 0 0 2 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.861 113.6 52.8 -66.0 -29.4 -5.4 -12.5 -1.0 23 23 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.862 110.5 46.6 -72.5 -31.5 -5.3 -10.2 -4.0 24 24 A A H < S+ 0 0 1 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.843 114.2 48.5 -74.0 -32.0 -4.0 -13.0 -6.2 25 25 A A H < S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.649 111.0 50.3 -78.1 -18.1 -6.7 -15.3 -4.7 26 26 A L H < S+ 0 0 0 -4,-1.2 3,-0.5 -5,-0.2 -2,-0.2 0.849 110.7 49.0 -83.6 -41.5 -9.3 -12.6 -5.3 27 27 A A S < S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.251 99.9 65.6 -81.1 5.4 -8.1 -12.4 -8.9 28 28 A E S S+ 0 0 61 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.646 98.6 53.2 -93.5 -28.7 -8.3 -16.2 -9.1 29 29 A M S S- 0 0 55 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.1 -0.019 135.0-101.6 -86.6 23.5 -12.1 -15.6 -8.7 30 30 A G + 0 0 63 1,-0.2 2,-0.4 -3,-0.2 -3,-0.2 0.932 68.0 152.9 57.4 61.1 -11.5 -13.3 -11.7 31 31 A K - 0 0 38 -8,-0.2 2,-0.7 -7,-0.1 -1,-0.2 -0.946 44.2-134.2-116.3 140.3 -11.3 -9.8 -10.2 32 32 A K + 0 0 86 -2,-0.4 88,-2.4 51,-0.1 89,-1.2 -0.883 42.1 167.3 -90.3 118.9 -9.5 -6.8 -11.7 33 33 A V E -c 121 0A 0 -2,-0.7 51,-1.8 49,-0.2 2,-0.4 -0.937 25.2-146.3-130.7 152.2 -7.8 -5.5 -8.6 34 34 A M E -cd 122 84A 1 87,-1.3 89,-3.0 -2,-0.3 2,-0.5 -0.993 3.6-153.1-126.9 129.4 -5.1 -2.9 -8.3 35 35 A I E -cd 123 85A 0 49,-2.4 51,-2.4 -2,-0.4 2,-0.5 -0.866 8.8-173.2-100.1 134.1 -2.4 -2.8 -5.7 36 36 A V E -cd 124 86A 3 87,-2.6 89,-2.2 -2,-0.5 2,-0.5 -0.986 13.4-151.3-124.0 112.8 -0.9 0.5 -4.8 37 37 A G E -cd 125 87A 0 49,-2.3 51,-2.9 -2,-0.5 52,-0.4 -0.811 16.5-180.0 -91.5 128.4 2.1 0.2 -2.4 38 38 A C + 0 0 2 87,-2.2 88,-0.1 -2,-0.5 -1,-0.1 0.374 45.4 115.0-102.1 -2.6 2.7 3.2 -0.1 39 39 A N S S- 0 0 6 86,-0.4 50,-0.5 2,-0.2 5,-0.2 -0.505 72.7-125.5 -83.3 139.7 5.7 1.9 1.6 40 40 A P S S+ 0 0 36 0, 0.0 50,-0.6 0, 0.0 2,-0.3 0.825 98.7 62.9 -44.3 -44.2 9.2 3.4 1.3 41 41 A K S S- 0 0 38 48,-0.1 3,-0.4 1,-0.1 -2,-0.2 -0.635 88.7-128.7 -87.6 141.4 10.5 0.1 0.2 42 42 A A S > S+ 0 0 13 -2,-0.3 12,-0.7 1,-0.2 3,-0.6 0.122 77.1 110.1 -80.9 27.3 9.3 -1.3 -3.1 43 43 A D T 3 + 0 0 32 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.376 54.2 83.3 -82.8 6.7 8.4 -4.8 -1.6 44 44 A S T 3 S+ 0 0 0 -3,-0.4 -1,-0.2 -5,-0.2 -24,-0.1 0.673 101.9 22.9 -93.7 -16.3 4.6 -4.3 -1.9 45 45 A T S X> S+ 0 0 0 -3,-0.6 4,-1.4 40,-0.1 3,-1.2 0.430 93.1 99.6-123.0 -7.5 3.9 -5.3 -5.6 46 46 A R H 3>>S+ 0 0 56 -4,-0.4 5,-1.0 1,-0.3 4,-0.5 0.750 76.2 56.7 -57.3 -35.0 7.0 -7.5 -6.4 47 47 A L H 345S+ 0 0 1 -4,-0.3 179,-0.7 2,-0.2 -1,-0.3 0.711 108.2 47.3 -74.1 -20.2 5.4 -11.0 -5.9 48 48 A I H <45S+ 0 0 2 -3,-1.2 32,-1.7 177,-0.2 -2,-0.2 0.841 116.5 42.8 -84.2 -37.0 2.6 -10.3 -8.5 49 49 A L H <5S- 0 0 31 -4,-1.4 -2,-0.2 30,-0.2 -1,-0.1 0.372 102.0-126.8 -89.4 1.0 4.9 -9.0 -11.1 50 50 A H T <5 + 0 0 61 -4,-0.5 -3,-0.2 174,-0.5 2,-0.1 0.657 69.5 132.7 56.7 19.1 7.7 -11.6 -10.6 51 51 A S < - 0 0 42 -5,-1.0 -1,-0.2 -6,-0.2 3,-0.1 -0.355 66.8-132.7 -95.1 171.2 10.0 -8.6 -10.2 52 52 A K S S- 0 0 74 1,-0.3 2,-0.2 -3,-0.1 -6,-0.1 0.881 91.9 -13.9 -86.8 -48.9 12.6 -7.7 -7.7 53 53 A A - 0 0 45 -7,-0.1 -1,-0.3 -8,-0.1 -10,-0.1 -0.844 69.6-132.9-158.8 115.2 11.4 -4.2 -7.1 54 54 A Q - 0 0 13 -12,-0.7 2,-0.2 -2,-0.2 -10,-0.1 -0.265 38.2 -96.8 -66.4 153.4 8.8 -2.2 -9.2 55 55 A N - 0 0 92 19,-0.1 32,-0.6 20,-0.1 2,-0.2 -0.542 41.4-134.6 -75.2 140.1 9.8 1.3 -10.1 56 56 A T B > -e 87 0A 11 -2,-0.2 4,-2.7 1,-0.1 32,-0.3 -0.518 15.2-121.2 -93.1 159.7 8.3 4.0 -7.9 57 57 A I H > S+ 0 0 1 30,-1.1 4,-2.4 1,-0.2 5,-0.2 0.906 116.2 52.5 -65.1 -37.4 6.6 7.2 -8.7 58 58 A M H 4 S+ 0 0 76 30,-1.0 4,-0.4 2,-0.2 -1,-0.2 0.832 111.8 47.9 -68.3 -27.5 9.2 9.1 -6.7 59 59 A E H >> S+ 0 0 98 2,-0.2 4,-1.1 1,-0.1 3,-0.9 0.972 117.2 38.6 -73.2 -52.9 11.9 7.4 -8.6 60 60 A M H 3X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.3 5,-0.2 0.818 111.1 57.4 -71.3 -29.5 10.5 8.0 -12.1 61 61 A A H 3< S+ 0 0 19 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.3 0.647 103.8 55.8 -74.4 -16.8 9.3 11.5 -11.4 62 62 A A H <4 S+ 0 0 71 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.842 108.9 48.3 -76.1 -35.7 12.9 12.4 -10.5 63 63 A E H < S+ 0 0 166 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.882 119.8 34.1 -70.9 -46.5 13.9 11.1 -13.9 64 64 A A S < S- 0 0 46 -4,-2.2 2,-0.3 2,-0.1 -1,-0.2 0.515 109.5-119.0 -89.1 -4.1 11.4 13.0 -16.0 65 65 A G S S+ 0 0 63 -4,-0.5 2,-0.3 -5,-0.2 -4,-0.1 -0.234 82.1 22.6 97.5 -47.6 11.4 16.1 -13.6 66 66 A T S > S- 0 0 58 -2,-0.3 3,-0.6 -6,-0.1 -2,-0.1 -0.965 80.9-103.6-147.6 167.9 7.7 16.0 -12.6 67 67 A V G > S+ 0 0 22 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.802 112.4 60.3 -60.7 -36.8 4.7 13.7 -12.3 68 68 A E G 3 S+ 0 0 109 1,-0.3 -1,-0.2 -7,-0.1 -3,-0.0 0.796 96.0 65.1 -65.9 -25.2 2.8 14.9 -15.4 69 69 A D G < S+ 0 0 95 -3,-0.6 2,-0.4 -8,-0.1 -1,-0.3 0.300 83.7 99.4 -75.8 2.7 5.8 13.9 -17.5 70 70 A L < - 0 0 5 -3,-1.5 2,-0.5 -9,-0.0 5,-0.0 -0.821 66.3-147.1 -97.7 134.4 5.1 10.3 -16.5 71 71 A E > - 0 0 108 -2,-0.4 3,-1.4 1,-0.1 4,-0.2 -0.913 17.3-128.9 -99.7 126.5 3.2 8.1 -19.0 72 72 A L G >> S+ 0 0 41 -2,-0.5 4,-2.2 1,-0.2 3,-2.0 0.733 96.2 68.7 -49.2 -36.5 0.9 5.5 -17.3 73 73 A E G 34 S+ 0 0 139 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.798 108.4 39.1 -59.4 -31.3 2.0 2.2 -19.1 74 74 A D G <4 S+ 0 0 72 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.193 117.7 50.4-104.0 16.3 5.4 2.4 -17.3 75 75 A V T <4 S+ 0 0 0 -3,-2.0 2,-0.5 1,-0.4 12,-0.4 0.751 114.3 38.0-106.6 -65.9 4.0 3.5 -14.0 76 76 A L S < S- 0 0 22 -4,-2.2 -1,-0.4 10,-0.1 2,-0.3 -0.821 75.5-179.9 -93.2 125.6 1.2 1.0 -13.5 77 77 A K E -F 85 0A 101 8,-2.2 8,-1.4 -2,-0.5 2,-0.3 -0.934 17.3-135.9-126.4 141.7 2.1 -2.5 -14.6 78 78 A A E +F 84 0A 63 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.787 25.5 164.7-105.3 147.3 0.0 -5.8 -14.5 79 79 A G E >> +F 83 0A 18 4,-2.2 4,-1.3 -2,-0.3 3,-1.2 -0.495 51.4 7.0-129.3-154.3 1.1 -9.2 -13.4 80 80 A Y G >4 S+ 0 0 63 -32,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.142 131.5 7.9 -38.3 124.7 -0.7 -12.5 -12.5 81 81 A G G 34 S- 0 0 39 1,-0.2 -1,-0.3 -3,-0.1 -48,-0.2 0.707 124.2 -75.3 73.9 23.5 -4.4 -12.4 -13.1 82 82 A G G <4 S+ 0 0 38 -3,-1.2 2,-0.6 1,-0.2 -1,-0.2 0.863 81.2 166.9 56.5 35.4 -4.2 -9.0 -14.9 83 83 A V E << - F 0 79A 0 -4,-1.3 -4,-2.2 -3,-0.7 -1,-0.2 -0.794 31.5-133.1 -88.2 120.9 -3.8 -7.4 -11.5 84 84 A K E -dF 34 78A 43 -51,-1.8 -49,-2.4 -2,-0.6 2,-0.4 -0.404 23.9-159.1 -74.1 147.8 -2.6 -3.9 -11.9 85 85 A C E +dF 35 77A 0 -8,-1.4 -8,-2.2 -51,-0.2 2,-0.3 -0.986 20.0 169.3-143.2 133.9 0.4 -2.6 -9.9 86 86 A V E -d 36 0A 0 -51,-2.4 -49,-2.3 -2,-0.4 2,-0.6 -0.917 15.0-161.8-146.7 120.9 1.9 0.7 -8.7 87 87 A E E -de 37 56A 0 -32,-0.6 -30,-1.1 -12,-0.4 -49,-0.2 -0.857 12.4-165.1 -96.7 119.9 4.6 1.3 -6.2 88 88 A S - 0 0 0 -51,-2.9 -30,-1.0 -2,-0.6 -50,-0.2 0.738 29.4-121.3 -87.4 -25.3 4.4 4.9 -5.1 89 89 A G - 0 0 1 -50,-0.5 -48,-0.1 -52,-0.4 -1,-0.1 0.099 15.2 -99.3 98.5 147.7 7.6 5.6 -3.4 90 90 A G - 0 0 16 -50,-0.6 2,-0.2 1,-0.2 7,-0.1 -0.190 47.9 -73.5 -90.1-177.7 8.9 6.7 -0.1 91 91 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 330,-0.1 -0.544 54.5 -96.0 -75.5 147.5 10.1 10.1 1.3 92 92 A E >> - 0 0 104 -2,-0.2 3,-2.5 5,-0.1 4,-2.1 -0.571 67.1 -90.1 -63.2 116.0 13.5 11.4 0.2 93 93 A P T 34 S- 0 0 25 0, 0.0 329,-0.2 0, 0.0 367,-0.2 -0.050 103.6 -1.2 -47.4 122.4 15.4 10.1 3.3 94 94 A G T 34 S+ 0 0 0 327,-0.9 328,-0.2 2,-0.2 336,-0.1 0.226 132.8 54.9 85.4 -6.6 15.5 12.5 6.2 95 95 A V T <4 S+ 0 0 41 -3,-2.5 327,-0.1 326,-0.3 -1,-0.1 0.798 85.7 62.5-125.7 -44.6 13.6 15.2 4.4 96 96 A G S < S- 0 0 16 -4,-2.1 327,-2.0 325,-0.2 2,-0.3 -0.384 70.7-115.2 -92.4 165.2 10.2 14.4 2.9 97 97 A C > - 0 0 56 325,-0.2 4,-0.7 326,-0.1 3,-0.2 -0.753 18.7-133.6 -90.6 146.5 6.9 13.3 4.4 98 98 A A H >> S+ 0 0 4 -2,-0.3 4,-1.2 1,-0.2 3,-0.5 0.865 101.3 68.4 -66.3 -33.4 5.6 9.9 3.4 99 99 A G H >> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 3,-0.9 0.890 92.0 58.6 -50.1 -50.0 2.2 11.4 2.7 100 100 A R H 3> S+ 0 0 181 1,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.827 101.6 54.0 -51.2 -43.9 3.3 13.3 -0.3 101 101 A G H X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.944 107.7 51.9 -63.8 -46.0 -1.0 11.7 -2.6 104 104 A T H 3X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.870 110.8 50.0 -58.8 -33.6 0.9 12.4 -5.8 105 105 A A H 3X S+ 0 0 1 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.3 0.809 109.0 50.0 -79.6 -26.5 0.3 8.8 -6.9 106 106 A I H XX S+ 0 0 5 -4,-1.9 4,-1.7 -3,-0.5 3,-0.6 0.970 113.6 47.6 -65.5 -51.6 -3.4 8.9 -6.1 107 107 A N H 3X S+ 0 0 70 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.848 109.3 52.1 -58.0 -39.5 -3.7 12.1 -8.1 108 108 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.814 112.6 47.0 -67.7 -28.7 -1.7 10.6 -11.0 109 109 A L H <<>S+ 0 0 0 -4,-1.1 6,-1.5 -3,-0.6 5,-1.0 0.687 115.4 43.1 -86.1 -20.2 -4.1 7.6 -11.0 110 110 A E H ><5S+ 0 0 87 -4,-1.7 3,-1.1 3,-0.2 -2,-0.2 0.876 115.2 51.9 -85.2 -43.8 -7.3 9.7 -10.8 111 111 A E H 3<5S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.943 115.0 39.1 -55.5 -57.7 -5.8 12.1 -13.4 112 112 A E T 3<5S- 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 0.158 112.7-128.0 -88.0 25.6 -4.9 9.4 -15.9 113 113 A G T X>5 + 0 0 14 -3,-1.1 4,-0.9 1,-0.1 3,-0.6 0.548 65.2 137.6 45.5 30.0 -8.2 7.7 -14.9 114 114 A A T 34< + 0 0 13 -5,-1.0 -4,-0.2 1,-0.2 -1,-0.1 0.706 69.9 67.9 -70.1 -17.1 -7.2 4.2 -14.1 115 115 A Y T 34 S+ 0 0 23 -6,-1.5 -1,-0.2 1,-0.2 4,-0.1 0.793 105.6 37.1 -67.5 -32.6 -9.5 4.5 -11.1 116 116 A E T <4 S+ 0 0 162 -3,-0.6 -1,-0.2 -6,-0.1 -2,-0.2 0.558 97.7 92.4 -99.9 -13.2 -12.7 4.6 -13.3 117 117 A D S < S- 0 0 92 -4,-0.9 2,-0.6 1,-0.1 -3,-0.0 -0.097 104.7 -53.0 -61.8 173.8 -11.5 2.0 -15.9 118 118 A D S S+ 0 0 108 2,-0.0 2,-0.2 -85,-0.0 -1,-0.1 -0.539 82.4 131.3 -82.8 121.7 -12.6 -1.5 -15.0 119 119 A L - 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