==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-13 2MCS . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR G.W.BUCHKO,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 10.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 1 0.8 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 . 14 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 M 0 0 209 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.3 2.1 -0.0 -1.2 2 2 A A + 0 0 75 1,-0.1 4,-0.3 2,-0.0 3,-0.1 -0.697 360.0 149.7-114.0 78.1 1.2 -1.2 -4.7 3 3 A H + 0 0 112 -2,-0.6 -1,-0.1 1,-0.1 0, 0.0 0.004 47.5 97.5 -96.0 27.7 2.9 -4.5 -5.2 4 4 A H S S+ 0 0 96 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.982 83.5 39.2 -77.2 -68.7 0.2 -5.8 -7.5 5 5 A H S S+ 0 0 113 -3,-0.1 -1,-0.1 112,-0.0 -2,-0.1 0.801 94.8 109.2 -52.1 -30.1 1.6 -5.1 -11.0 6 6 A H + 0 0 107 -4,-0.3 2,-0.3 111,-0.1 -3,-0.0 -0.240 47.0 160.0 -52.1 129.5 4.9 -6.2 -9.6 7 7 A H - 0 0 79 2,-0.0 2,-0.3 59,-0.0 -2,-0.0 -0.947 28.5-136.9-148.8 167.1 5.9 -9.6 -11.0 8 8 A H - 0 0 111 -2,-0.3 2,-0.3 54,-0.1 57,-0.1 -0.856 14.0-169.8-127.2 162.6 8.8 -11.9 -11.6 9 9 A M + 0 0 89 -2,-0.3 -2,-0.0 1,-0.1 53,-0.0 -0.961 34.5 112.9-147.7 163.2 10.1 -14.1 -14.4 10 10 A G + 0 0 72 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.563 46.0 119.4 134.7 52.7 12.8 -16.8 -15.1 11 11 A T + 0 0 80 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.950 23.5 162.0-139.0 158.6 11.3 -20.2 -15.8 12 12 A L - 0 0 147 -2,-0.3 2,-0.2 2,-0.1 0, 0.0 -0.921 48.6 -80.4-173.4 147.6 11.2 -22.7 -18.6 13 13 A E S S+ 0 0 156 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.352 70.3 132.5 -57.2 118.9 10.4 -26.4 -19.4 14 14 A A - 0 0 53 -2,-0.2 2,-1.0 2,-0.0 -2,-0.1 -0.955 65.2 -91.6-168.3 149.7 13.5 -28.4 -18.3 15 15 A Q + 0 0 178 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.542 58.1 168.2 -70.5 101.5 14.5 -31.5 -16.3 16 16 A T - 0 0 106 -2,-1.0 -3,-0.0 1,-0.0 -1,-0.0 -0.528 45.6-117.6-108.6 177.1 15.1 -30.1 -12.8 17 17 A Q S S+ 0 0 204 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.0 -0.208 103.9 26.4-108.3 40.6 15.7 -31.6 -9.4 18 18 A G S S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.097 73.4 179.6 163.4 69.7 12.6 -30.1 -7.8 19 19 A P - 0 0 102 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.112 6.0-165.9 -69.7-171.1 9.6 -29.2 -9.9 20 20 A G - 0 0 55 1,-0.5 2,-0.1 0, 0.0 0, 0.0 0.085 47.1 -5.1-140.8-104.7 6.3 -27.7 -8.7 21 21 A S - 0 0 63 43,-0.1 -1,-0.5 44,-0.0 2,-0.1 -0.313 47.5-171.3 -96.3-178.0 3.0 -27.3 -10.5 22 22 A M - 0 0 141 -2,-0.1 54,-0.0 54,-0.1 42,-0.0 -0.536 26.1-120.6-179.2 106.2 1.9 -28.1 -14.0 23 23 A I - 0 0 38 -2,-0.1 2,-0.3 54,-0.1 54,-0.2 -0.186 32.0-149.6 -51.8 138.8 -1.4 -27.2 -15.7 24 24 A E E -a 77 0A 95 52,-0.6 54,-2.2 54,-0.1 2,-0.4 -0.807 12.1-115.0-114.5 155.9 -3.3 -30.3 -17.0 25 25 A Q E -a 78 0A 116 -2,-0.3 54,-0.2 52,-0.2 2,-0.2 -0.741 34.7-176.4 -92.3 134.4 -5.6 -30.7 -19.9 26 26 A I E -a 79 0A 11 52,-2.8 54,-1.5 -2,-0.4 2,-0.2 -0.566 16.7-118.6-118.2-177.1 -9.3 -31.6 -19.3 27 27 A G > - 0 0 16 -2,-0.2 4,-1.1 52,-0.2 58,-0.1 -0.755 24.9-110.9-122.4 170.0 -12.3 -32.4 -21.4 28 28 A D H > S+ 0 0 83 -2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.810 120.9 47.5 -67.5 -30.3 -15.8 -31.0 -22.0 29 29 A S H 4 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.802 117.0 41.6 -80.1 -31.1 -17.3 -34.0 -20.2 30 30 A E H > S+ 0 0 90 2,-0.1 4,-1.7 1,-0.1 5,-0.4 0.529 92.3 93.0 -91.7 -8.6 -14.9 -33.7 -17.2 31 31 A F H >X S+ 0 0 25 -4,-1.1 4,-2.1 1,-0.2 3,-1.1 0.959 99.5 24.8 -46.5 -72.0 -15.2 -29.9 -17.2 32 32 A D H 3X>S+ 0 0 78 -4,-0.5 4,-1.0 1,-0.2 5,-0.7 0.762 111.6 75.6 -66.9 -24.9 -18.0 -29.7 -14.6 33 33 A N H 345S+ 0 0 107 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 118.3 15.0 -55.7 -33.9 -16.9 -33.0 -13.3 34 34 A K H <<5S+ 0 0 71 -4,-1.7 4,-0.3 -3,-1.1 -1,-0.2 0.529 133.4 49.6-115.4 -15.7 -14.0 -31.3 -11.6 35 35 A V H ><5S+ 0 0 2 -4,-2.1 3,-1.3 -5,-0.4 69,-0.6 0.919 109.1 46.4 -88.5 -55.2 -15.2 -27.7 -12.0 36 36 A T T 3<5S+ 0 0 79 -4,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.728 111.3 57.3 -60.4 -21.1 -18.8 -27.9 -10.6 37 37 A S T 3 + 0 0 68 -2,-0.4 3,-1.1 1,-0.1 4,-0.4 -0.628 21.4 157.2-126.5 73.1 2.7 -16.8 -21.1 61 61 A P T 3> + 0 0 41 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.637 61.4 85.1 -69.8 -14.1 4.4 -18.7 -18.2 62 62 A Q H 3> S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.838 81.9 61.2 -56.8 -34.1 3.3 -15.9 -15.8 63 63 A L H <> S+ 0 0 30 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.933 110.5 37.7 -59.0 -48.4 -0.0 -17.6 -15.5 64 64 A E H > S+ 0 0 62 -4,-0.4 4,-1.6 -3,-0.4 -2,-0.2 0.914 112.8 57.6 -70.1 -44.2 1.5 -20.7 -14.0 65 65 A K H X S+ 0 0 70 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.923 116.2 35.2 -51.8 -49.7 4.1 -18.8 -12.0 66 66 A L H >X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.870 108.0 66.6 -73.6 -38.3 1.4 -16.9 -10.2 67 67 A A H 3< S+ 0 0 14 -4,-2.2 7,-0.2 -5,-0.3 -1,-0.2 0.799 102.7 49.4 -52.6 -29.8 -1.0 -19.8 -10.2 68 68 A Q H 3< S+ 0 0 78 -4,-1.6 3,-0.3 -3,-0.3 -1,-0.3 0.803 109.5 49.9 -80.0 -31.3 1.5 -21.5 -7.8 69 69 A Q H << S+ 0 0 101 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.753 126.3 27.3 -77.8 -25.4 1.7 -18.4 -5.5 70 70 A Y S >X S+ 0 0 71 -4,-2.2 3,-2.0 1,-0.1 4,-0.6 0.054 80.3 123.2-123.0 22.4 -2.1 -18.2 -5.3 71 71 A T T 34 + 0 0 68 -3,-0.3 3,-0.2 1,-0.3 -3,-0.1 0.745 61.5 78.1 -55.9 -23.0 -2.9 -21.9 -5.9 72 72 A E T 34 S+ 0 0 166 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.858 121.7 4.1 -55.1 -37.2 -4.7 -21.7 -2.5 73 73 A N T <4 S+ 0 0 19 -3,-2.0 -30,-1.5 -6,-0.1 2,-0.4 0.050 123.4 80.5-136.9 23.7 -7.6 -20.0 -4.3 74 74 A V E < + b 0 43A 2 -4,-0.6 2,-0.3 -7,-0.2 -30,-0.2 -0.996 48.1 172.8-136.9 140.0 -6.4 -20.1 -8.0 75 75 A K E - b 0 44A 67 -32,-2.5 -30,-3.2 -2,-0.4 2,-0.3 -0.959 9.9-163.2-142.6 159.5 -6.4 -22.9 -10.6 76 76 A I E + b 0 45A 15 -2,-0.3 -52,-0.6 -32,-0.2 2,-0.3 -0.999 9.1 174.5-147.2 143.3 -5.7 -23.3 -14.3 77 77 A Y E -ab 24 46A 25 -32,-2.3 -30,-2.6 -2,-0.3 -52,-0.2 -0.927 11.3-152.1-143.2 166.3 -6.5 -25.9 -16.9 78 78 A K E -a 25 0A 40 -54,-2.2 -52,-2.8 -2,-0.3 2,-0.3 -0.686 31.8 -81.7-129.9-176.7 -6.2 -26.6 -20.7 79 79 A I E -a 26 0A 11 -32,-0.3 -52,-0.2 -54,-0.2 3,-0.1 -0.678 26.1-142.0 -93.0 145.4 -7.9 -28.4 -23.5 80 80 A N S S+ 0 0 81 -54,-1.5 2,-0.4 -2,-0.3 -1,-0.1 0.999 83.9 20.6 -65.8 -74.5 -7.4 -32.2 -24.1 81 81 A I - 0 0 72 3,-0.6 -1,-0.2 -55,-0.1 -32,-0.1 -0.797 58.0-160.8-101.9 141.6 -7.3 -32.4 -27.9 82 82 A E S S+ 0 0 86 -2,-0.4 3,-0.3 1,-0.1 -1,-0.1 0.845 95.8 47.2 -85.4 -38.3 -6.6 -29.4 -30.2 83 83 A D S S+ 0 0 144 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.709 122.0 39.1 -75.2 -20.7 -8.2 -30.9 -33.3 84 84 A N S S+ 0 0 119 2,-0.0 -3,-0.6 0, 0.0 2,-0.3 -0.839 72.6 138.4-135.2 97.4 -11.2 -31.9 -31.3 85 85 A Q > + 0 0 35 -2,-0.4 4,-0.6 -3,-0.3 -58,-0.0 -0.899 17.4 170.1-144.5 111.0 -12.4 -29.5 -28.7 86 86 A D H > S+ 0 0 99 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.687 73.7 76.9 -90.0 -22.1 -16.1 -28.7 -28.0 87 87 A V H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.879 93.7 52.2 -55.1 -40.4 -15.4 -26.7 -24.9 88 88 A A H >>S+ 0 0 7 1,-0.2 5,-2.7 2,-0.2 4,-1.9 0.963 111.6 43.1 -61.3 -54.7 -14.2 -23.8 -27.0 89 89 A T H <5S+ 0 0 121 -4,-0.6 -1,-0.2 3,-0.2 -2,-0.2 0.782 113.4 56.2 -62.8 -27.0 -17.4 -23.6 -29.1 90 90 A Q H <5S+ 0 0 154 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.953 114.8 34.1 -70.1 -51.8 -19.4 -24.1 -26.0 91 91 A Y H <5S- 0 0 59 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.667 116.6-114.2 -77.4 -17.1 -18.0 -21.2 -24.1 92 92 A G T <5 + 0 0 59 -4,-1.9 2,-0.6 -5,-0.3 -3,-0.2 0.909 60.9 151.8 84.3 46.8 -17.7 -19.2 -27.3 93 93 A V < - 0 0 15 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.909 30.7-152.0-115.9 106.2 -13.9 -18.9 -27.6 94 94 A S - 0 0 92 -2,-0.6 4,-0.3 1,-0.1 -46,-0.1 0.161 49.3 -71.2 -59.8-174.4 -12.6 -18.7 -31.1 95 95 A A S S+ 0 0 40 2,-0.1 -1,-0.1 -41,-0.1 -42,-0.1 0.796 104.3 110.1 -52.2 -29.6 -9.1 -19.8 -32.1 96 96 A I S S- 0 0 73 1,-0.2 2,-1.5 -42,-0.1 -48,-0.1 -0.203 85.7-109.3 -51.8 133.1 -7.8 -16.8 -30.1 97 97 A P + 0 0 53 0, 0.0 16,-0.7 0, 0.0 2,-0.3 -0.497 55.5 164.6 -69.8 89.8 -6.1 -17.9 -26.9 98 98 A T E - D 0 112A 18 -2,-1.5 -50,-1.2 -4,-0.3 2,-0.5 -0.811 29.3-140.7-110.8 151.4 -8.6 -16.7 -24.3 99 99 A I E -CD 47 111A 8 12,-2.7 12,-1.8 -2,-0.3 2,-0.5 -0.942 12.2-163.4-115.3 128.5 -8.9 -17.6 -20.6 100 100 A L E -CD 46 110A 24 -54,-2.2 -54,-3.1 -2,-0.5 2,-0.6 -0.927 11.0-143.3-113.4 131.7 -12.2 -18.2 -18.9 101 101 A M E -CD 45 109A 0 8,-2.9 7,-2.3 -2,-0.5 8,-0.6 -0.825 23.0-178.1 -96.3 120.6 -12.6 -18.3 -15.1 102 102 A F E +CD 44 107A 20 -58,-2.0 -58,-2.9 -2,-0.6 2,-0.3 -0.856 8.8 162.9-117.9 153.2 -15.1 -20.8 -13.7 103 103 A K E > - D 0 106A 52 3,-1.9 3,-1.4 -2,-0.3 -67,-0.1 -0.851 67.4 -3.8-169.9 130.5 -16.3 -21.5 -10.2 104 104 A N T 3 S- 0 0 106 -66,-0.7 -68,-0.2 -69,-0.6 3,-0.1 0.839 129.1 -56.7 53.3 34.7 -19.3 -23.3 -8.6 105 105 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 -70,-0.2 -1,-0.3 0.792 121.9 102.0 68.8 27.6 -20.6 -23.9 -12.1 106 106 A K E < S-D 103 0A 147 -3,-1.4 -3,-1.9 0, 0.0 -1,-0.2 -0.999 73.1-114.8-144.6 143.8 -20.6 -20.1 -12.8 107 107 A K E +D 102 0A 145 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.521 26.1 176.6 -78.0 142.7 -18.3 -17.7 -14.7 108 108 A L E - 0 0 50 -7,-2.3 2,-0.3 1,-0.5 -1,-0.1 0.749 61.2 -26.2-111.2 -45.4 -16.4 -15.1 -12.7 109 109 A S E -D 101 0A 22 -8,-0.6 -8,-2.9 2,-0.0 -1,-0.5 -0.969 48.9-134.3-162.6 171.6 -14.2 -13.3 -15.3 110 110 A Q E -D 100 0A 93 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.963 13.1-158.4-143.6 122.6 -12.5 -13.7 -18.6 111 111 A V E -D 99 0A 1 -12,-1.8 -12,-2.7 -2,-0.4 2,-0.5 -0.807 3.5-166.1-102.6 141.0 -9.0 -12.6 -19.5 112 112 A I E -D 98 0A 109 -2,-0.4 2,-0.2 -14,-0.2 -14,-0.1 -0.930 54.6 -2.3-130.3 109.2 -7.8 -11.9 -23.1 113 113 A G S S- 0 0 42 -16,-0.7 2,-0.6 -2,-0.5 -14,-0.1 -0.616 97.7 -55.0 112.1-173.4 -4.1 -11.7 -23.9 114 114 A A S S+ 0 0 49 -2,-0.2 2,-0.9 4,-0.0 3,-0.2 -0.510 71.2 145.4-106.1 62.7 -0.9 -11.8 -21.9 115 115 A D >> + 0 0 88 -2,-0.6 4,-2.4 1,-0.2 3,-1.4 -0.764 20.3 177.4-103.1 88.3 -1.6 -9.1 -19.3 116 116 A I H 3> S+ 0 0 24 -2,-0.9 4,-2.1 1,-0.3 5,-0.2 0.896 84.3 55.3 -54.8 -43.2 0.1 -10.2 -16.1 117 117 A S H 3> S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.713 111.5 47.5 -63.7 -19.7 -1.0 -6.9 -14.4 118 118 A K H <> S+ 0 0 74 -3,-1.4 4,-2.4 2,-0.2 3,-0.4 0.941 109.9 46.1 -85.2 -58.4 -4.5 -7.8 -15.5 119 119 A I H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.3 5,-0.3 0.831 116.2 49.6 -54.1 -33.7 -4.8 -11.5 -14.4 120 120 A I H X S+ 0 0 5 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.3 0.830 108.6 51.9 -75.1 -33.5 -3.2 -10.4 -11.1 121 121 A S H < S+ 0 0 56 -4,-0.6 4,-0.5 -3,-0.4 -2,-0.2 0.864 116.8 39.2 -70.6 -37.1 -5.7 -7.6 -10.6 122 122 A E H X S+ 0 0 42 -4,-2.4 4,-1.7 2,-0.2 3,-0.2 0.953 119.2 44.3 -77.1 -54.1 -8.7 -9.8 -11.2 123 123 A I H >X S+ 0 0 7 -4,-2.3 3,-1.0 1,-0.2 4,-0.6 0.964 114.4 48.2 -54.9 -58.2 -7.4 -12.9 -9.3 124 124 A N H 3< S+ 0 0 37 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.774 113.2 51.6 -54.7 -26.2 -6.1 -10.9 -6.3 125 125 A N H 34 S+ 0 0 116 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.775 113.8 41.7 -81.7 -28.5 -9.5 -9.2 -6.4 126 126 A N H << S+ 0 0 54 -4,-1.7 2,-0.4 -3,-1.0 -2,-0.2 0.242 97.4 102.9-101.1 11.0 -11.4 -12.4 -6.4 127 127 A I < 0 0 38 -4,-0.6 -85,-0.1 -3,-0.3 -86,-0.0 -0.768 360.0 360.0 -98.4 140.6 -9.1 -14.0 -3.8 128 128 A N 0 0 167 -2,-0.4 -1,-0.1 -87,-0.1 -87,-0.0 0.974 360.0 360.0 -50.6 360.0 -10.1 -14.4 -0.1