==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 25-MAR-09 3A10 . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA,Y.SHIRO . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6621.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 9 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 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 X 0 0 170 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 142.5 6.5 5.2 94.9 2 2 A K - 0 0 74 23,-0.4 25,-2.6 44,-0.0 2,-0.4 -0.842 360.0-145.0-106.7 147.0 9.6 6.1 92.9 3 3 A R E -a 27 0A 89 -2,-0.3 44,-2.5 23,-0.2 45,-1.1 -0.952 12.6-167.8-117.1 134.3 11.4 3.6 90.7 4 4 A I E -ab 28 48A 0 23,-2.6 25,-2.4 -2,-0.4 2,-0.6 -0.974 15.4-144.4-124.3 132.4 15.2 3.4 90.2 5 5 A L E -ab 29 49A 0 43,-2.2 45,-2.9 -2,-0.4 2,-0.6 -0.881 18.6-159.6 -94.4 120.9 17.1 1.4 87.6 6 6 A V E -ab 30 50A 1 23,-3.0 25,-2.0 -2,-0.6 2,-0.6 -0.908 7.3-169.8-106.5 120.2 20.4 0.3 89.2 7 7 A V E +ab 31 51A 2 43,-2.8 45,-2.3 -2,-0.6 2,-0.3 -0.932 23.6 134.4-119.6 116.4 23.1 -0.7 86.7 8 8 A D - 0 0 2 23,-1.9 6,-0.1 -2,-0.6 47,-0.1 -0.953 47.3-139.8-158.0 142.7 26.3 -2.4 87.8 9 9 A D S S+ 0 0 50 45,-0.4 23,-0.1 -2,-0.3 46,-0.1 0.677 84.2 83.6 -77.9 -18.5 28.3 -5.4 86.5 10 10 A E >> - 0 0 98 1,-0.2 4,-2.6 2,-0.0 3,-0.8 -0.771 66.6-156.7 -91.7 113.2 29.1 -6.8 89.9 11 11 A P H 3> S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.850 91.9 51.4 -57.8 -39.3 26.2 -8.9 91.2 12 12 A N H 3> S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.807 111.8 48.6 -69.9 -26.9 27.0 -8.5 94.9 13 13 A I H <> S+ 0 0 46 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.893 108.8 52.3 -75.8 -43.3 27.2 -4.7 94.5 14 14 A R H X S+ 0 0 40 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.946 111.4 48.9 -50.4 -50.4 23.8 -4.7 92.7 15 15 A E H X S+ 0 0 114 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.897 111.5 47.8 -58.0 -46.9 22.4 -6.7 95.6 16 16 A L H X S+ 0 0 46 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.944 113.7 46.8 -60.6 -49.4 23.9 -4.3 98.2 17 17 A L H X S+ 0 0 7 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.903 110.7 52.7 -63.2 -40.2 22.6 -1.2 96.4 18 18 A K H X S+ 0 0 75 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.944 112.0 46.0 -58.6 -48.9 19.2 -2.8 95.9 19 19 A E H X S+ 0 0 103 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.914 113.3 48.5 -58.6 -45.4 19.0 -3.5 99.7 20 20 A E H X S+ 0 0 45 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.868 114.7 44.4 -64.8 -38.1 20.2 0.0 100.7 21 21 A L H <>S+ 0 0 1 -4,-2.3 5,-1.9 -5,-0.2 3,-0.4 0.855 107.5 57.6 -81.3 -32.4 17.8 1.8 98.4 22 22 A Q H ><5S+ 0 0 98 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.876 103.3 56.7 -60.1 -38.1 14.8 -0.4 99.3 23 23 A E H 3<5S+ 0 0 137 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 102.1 54.8 -62.6 -31.1 15.4 0.8 102.9 24 24 A E T 3<5S- 0 0 76 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.533 128.7 -96.5 -83.0 -6.9 15.1 4.4 101.9 25 25 A G T < 5S+ 0 0 43 -3,-1.0 -23,-0.4 -4,-0.4 2,-0.3 0.598 78.9 129.5 108.8 15.9 11.7 3.7 100.4 26 26 A Y < - 0 0 13 -5,-1.9 2,-0.5 -25,-0.1 -1,-0.3 -0.702 55.4-123.3-106.3 155.4 12.3 3.1 96.7 27 27 A E E -a 3 0A 86 -25,-2.6 -23,-2.6 -2,-0.3 2,-0.5 -0.812 34.0-153.7 -92.2 130.7 11.4 0.4 94.2 28 28 A I E +a 4 0A 5 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.913 21.5 176.8-121.6 125.9 14.5 -1.1 92.5 29 29 A D E -a 5 0A 52 -25,-2.4 -23,-3.0 -2,-0.5 2,-0.3 -0.872 21.6-150.4-110.5 155.9 15.1 -2.8 89.2 30 30 A T E -a 6 0A 41 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.861 14.5-167.4-128.7 157.5 18.6 -3.9 88.1 31 31 A A E -a 7 0A 1 -25,-2.0 -23,-1.9 -2,-0.3 3,-0.1 -0.987 13.2-153.8-142.3 146.0 20.7 -4.4 85.0 32 32 A E S S+ 0 0 103 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.490 75.9 19.5-100.3 -10.4 24.0 -6.2 84.7 33 33 A N S > S- 0 0 52 22,-0.1 4,-2.1 1,-0.1 24,-0.1 -0.951 80.2-101.4-152.5 173.3 25.4 -4.4 81.6 34 34 A G H > S+ 0 0 1 24,-0.5 4,-2.2 22,-0.4 5,-0.2 0.872 116.4 51.1 -67.3 -43.9 25.0 -1.2 79.5 35 35 A E H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 112.7 46.9 -61.6 -45.7 23.0 -2.7 76.7 36 36 A E H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 110.0 55.6 -61.0 -40.6 20.5 -4.2 79.1 37 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.911 108.9 45.2 -57.8 -45.9 20.4 -0.9 80.9 38 38 A L H X S+ 0 0 28 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.911 112.8 51.1 -68.0 -42.7 19.4 1.0 77.7 39 39 A K H X S+ 0 0 127 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.949 115.1 42.7 -58.5 -49.3 16.8 -1.6 76.8 40 40 A K H X S+ 0 0 67 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.923 116.2 47.9 -62.9 -44.6 15.2 -1.5 80.2 41 41 A F H < S+ 0 0 13 -4,-2.9 5,-0.3 -5,-0.2 3,-0.2 0.941 113.4 44.6 -65.9 -48.9 15.4 2.3 80.4 42 42 A F H < S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 119.7 41.6 -65.2 -36.1 14.0 3.2 77.0 43 43 A S H < S+ 0 0 99 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.655 115.8 61.3 -82.2 -16.9 11.1 0.6 77.2 44 44 A G S < S- 0 0 23 -4,-1.3 -3,-0.1 -3,-0.2 -4,-0.0 -0.075 78.8-120.5-102.7-161.8 10.4 1.5 80.9 45 45 A N + 0 0 132 -2,-0.0 -42,-0.2 -5,-0.0 2,-0.1 -0.318 41.3 167.3-143.2 54.7 9.3 4.4 83.1 46 46 A Y - 0 0 34 -5,-0.3 -42,-0.2 1,-0.1 29,-0.2 -0.386 33.8-152.9 -82.3 147.9 12.0 5.1 85.6 47 47 A D S S+ 0 0 71 -44,-2.5 2,-0.3 1,-0.3 28,-0.2 0.749 83.6 4.3 -80.8 -26.7 12.4 8.1 87.9 48 48 A L E -b 4 0A 0 -45,-1.1 -43,-2.2 26,-0.1 2,-0.4 -0.986 59.7-148.3-158.9 144.9 16.1 7.8 88.1 49 49 A V E -bc 5 76A 0 26,-2.3 28,-2.5 -2,-0.3 2,-0.5 -0.990 8.4-159.9-120.7 132.3 19.0 5.7 86.8 50 50 A I E -bc 6 77A 2 -45,-2.9 -43,-2.8 -2,-0.4 2,-0.5 -0.971 19.7-163.2-111.3 125.1 22.1 4.9 88.8 51 51 A L E -bc 7 78A 0 26,-3.2 28,-2.2 -2,-0.5 -43,-0.2 -0.940 18.2-150.3-128.7 118.4 24.9 3.9 86.6 52 52 A D - 0 0 6 -45,-2.3 28,-0.2 -2,-0.5 3,-0.1 -0.386 13.9-150.8 -65.7 155.0 28.2 2.2 87.2 53 53 A I S S+ 0 0 1 26,-0.2 7,-2.5 1,-0.2 2,-0.7 0.885 75.1 63.1 -97.9 -56.8 31.0 3.2 84.7 54 54 A E + 0 0 80 5,-0.2 -45,-0.4 6,-0.1 -1,-0.2 -0.583 67.2 135.1 -80.8 111.2 33.3 0.2 84.4 55 55 A X - 0 0 19 -2,-0.7 2,-0.2 2,-0.3 -22,-0.1 -0.979 62.5 -91.0-146.3 153.2 31.4 -2.8 82.9 56 56 A P S S+ 0 0 96 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.520 103.4 12.8 -65.0 135.6 32.1 -5.4 80.2 57 57 A G S S+ 0 0 73 -2,-0.2 -2,-0.3 -24,-0.1 -24,-0.0 -0.651 125.7 9.2 93.9-156.3 30.7 -4.0 77.0 58 58 A I S S- 0 0 49 -2,-0.2 -24,-0.5 1,-0.1 -23,-0.1 -0.246 84.1-117.1 -58.8 141.3 29.8 -0.3 76.7 59 59 A S > - 0 0 41 1,-0.1 4,-2.3 -5,-0.1 3,-0.3 -0.333 19.9-109.9 -77.2 163.2 30.8 1.8 79.6 60 60 A G H > S+ 0 0 0 -7,-2.5 4,-2.5 1,-0.2 -7,-0.2 0.748 119.5 59.9 -59.6 -27.7 28.4 3.6 81.9 61 61 A L H > S+ 0 0 13 -8,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 106.1 47.0 -68.6 -39.8 29.6 6.9 80.4 62 62 A E H > S+ 0 0 102 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.939 112.8 49.9 -63.4 -46.0 28.4 5.7 77.0 63 63 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.923 108.6 52.2 -57.8 -47.2 25.1 4.7 78.6 64 64 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 108.3 51.9 -58.6 -37.6 24.7 8.1 80.3 65 65 A G H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.899 110.6 47.3 -65.7 -44.8 25.2 9.9 77.0 66 66 A E H X S+ 0 0 50 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.908 113.0 47.7 -63.4 -45.5 22.6 7.8 75.2 67 67 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 7,-0.2 0.936 111.8 50.1 -62.2 -44.6 20.0 8.3 78.0 68 68 A R H < S+ 0 0 58 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.932 112.2 48.9 -60.8 -42.7 20.7 12.0 78.1 69 69 A K H < S+ 0 0 156 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.870 120.6 33.7 -64.0 -38.9 20.2 12.2 74.3 70 70 A K H < S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.449 126.4 38.7-102.0 -4.5 17.0 10.2 74.1 71 71 A K >< - 0 0 111 -4,-1.9 3,-2.3 -3,-0.2 -1,-0.2 -0.665 69.0-172.5-144.2 85.4 15.5 11.4 77.4 72 72 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.819 85.0 39.6 -53.1 -41.5 16.3 15.0 77.9 73 73 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.3 0, 0.0 -5,-0.1 0.143 84.4 138.3 -96.7 16.4 14.9 15.3 81.5 74 74 A A < - 0 0 7 -3,-2.3 2,-0.6 -7,-0.2 -26,-0.1 -0.257 52.7-129.9 -56.2 149.2 16.2 11.9 82.7 75 75 A K + 0 0 78 -28,-0.2 -26,-2.3 -29,-0.2 2,-0.4 -0.937 33.3 179.5-105.1 122.9 17.7 11.9 86.2 76 76 A I E -c 49 0A 0 -2,-0.6 19,-2.2 -28,-0.2 20,-1.5 -0.986 16.1-174.2-132.9 125.0 21.2 10.2 86.1 77 77 A I E -cd 50 96A 0 -28,-2.5 -26,-3.2 -2,-0.4 2,-0.6 -0.984 18.2-145.0-114.5 127.1 23.7 9.5 88.8 78 78 A L E -cd 51 97A 0 18,-2.6 20,-3.3 -2,-0.5 2,-0.5 -0.840 19.7-175.0 -83.1 125.0 27.1 8.0 88.0 79 79 A L E + d 0 98A 4 -28,-2.2 2,-0.3 -2,-0.6 20,-0.2 -0.935 18.6 152.9-125.8 105.5 28.0 5.7 90.9 80 80 A T E - d 0 99A 0 18,-1.9 20,-2.4 -2,-0.5 -28,-0.1 -0.918 54.0-127.9-136.2 151.4 31.5 4.3 90.4 81 81 A A S S+ 0 0 46 -2,-0.3 2,-0.4 18,-0.2 18,-0.1 0.742 92.5 73.4 -64.5 -21.9 34.3 3.0 92.6 82 82 A Y > - 0 0 122 1,-0.1 3,-0.5 17,-0.0 -2,-0.1 -0.819 56.7-165.4-113.3 128.2 36.6 5.5 90.8 83 83 A S G > S+ 0 0 81 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 0.572 74.5 95.5 -78.1 -9.9 37.0 9.2 91.0 84 84 A H G > S+ 0 0 139 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.843 79.4 52.2 -46.4 -45.5 39.0 9.1 87.8 85 85 A Y G X S+ 0 0 43 -3,-0.5 3,-2.1 1,-0.2 6,-0.3 0.511 79.7 93.3 -79.9 -3.9 36.1 9.9 85.5 86 86 A R G < S+ 0 0 125 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.864 92.8 42.3 -57.0 -36.0 34.9 13.0 87.4 87 87 A S G < S+ 0 0 112 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.3 0.177 89.3 111.8 -97.2 15.5 37.0 15.2 85.0 88 88 A D X - 0 0 55 -3,-2.1 3,-1.9 1,-0.1 4,-0.3 -0.786 68.8-139.1 -87.4 127.3 35.9 13.2 82.0 89 89 A X G > S+ 0 0 135 -2,-0.5 3,-2.0 1,-0.3 4,-0.2 0.817 100.1 67.0 -63.4 -27.8 33.7 15.4 79.8 90 90 A S G > S+ 0 0 61 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.799 87.7 69.2 -60.3 -25.1 31.4 12.4 79.1 91 91 A S G X S+ 0 0 13 -3,-1.9 3,-1.8 -6,-0.3 -1,-0.3 0.676 77.9 81.2 -67.5 -14.0 30.5 12.6 82.8 92 92 A W G < S+ 0 0 201 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.667 76.2 72.2 -65.6 -19.3 28.7 15.9 82.0 93 93 A A G < S+ 0 0 20 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.715 88.7 78.7 -63.8 -25.2 25.7 13.8 80.7 94 94 A A S < S- 0 0 16 -3,-1.8 -17,-0.2 -4,-0.2 3,-0.1 -0.526 74.0-141.9 -88.7 155.8 24.9 12.9 84.3 95 95 A D S S+ 0 0 56 -19,-2.2 2,-0.3 1,-0.2 -18,-0.2 0.852 86.3 10.6 -77.6 -37.5 23.2 15.0 87.0 96 96 A E E -d 77 0A 42 -20,-1.5 -18,-2.6 2,-0.0 2,-0.4 -0.968 61.3-148.5-141.1 156.6 25.4 13.8 89.8 97 97 A Y E -d 78 0A 16 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.997 19.3-178.1-129.1 123.5 28.6 11.8 90.3 98 98 A V E -d 79 0A 3 -20,-3.3 -18,-1.9 -2,-0.4 2,-0.5 -0.984 20.6-141.7-126.3 128.0 29.1 9.7 93.4 99 99 A V E -d 80 0A 40 -2,-0.4 -18,-0.2 -20,-0.2 8,-0.1 -0.803 40.0-101.6 -86.2 129.4 32.1 7.6 94.3 100 100 A K + 0 0 49 -20,-2.4 2,-0.3 -2,-0.5 -1,-0.1 -0.167 48.9 175.0 -52.1 130.5 31.0 4.3 96.0 101 101 A S - 0 0 54 2,-0.1 6,-0.1 1,-0.1 -1,-0.0 -0.973 42.3-127.0-136.5 153.8 31.4 4.4 99.7 102 102 A F S S+ 0 0 196 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.678 102.7 72.3 -75.5 -15.8 30.4 1.9 102.5 103 103 A N S > S- 0 0 94 1,-0.1 3,-0.5 -3,-0.0 4,-0.3 -0.904 70.8-168.3 -95.8 111.0 28.6 4.8 104.1 104 104 A F T 3> + 0 0 22 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.458 58.5 101.4 -84.7 -0.2 25.5 5.3 101.9 105 105 A D H 3> S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 82.4 48.3 -53.3 -47.1 24.4 8.6 103.3 106 106 A E H <> S+ 0 0 77 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.915 112.2 47.4 -61.8 -48.4 25.9 10.7 100.5 107 107 A L H > S+ 0 0 7 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.934 112.7 50.9 -55.9 -46.0 24.4 8.5 97.7 108 108 A K H X S+ 0 0 22 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.874 108.4 51.8 -62.2 -36.8 21.0 8.6 99.5 109 109 A E H X S+ 0 0 130 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.913 111.5 46.2 -63.0 -45.1 21.2 12.4 99.8 110 110 A K H X S+ 0 0 42 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.869 112.4 50.9 -68.6 -38.4 21.9 12.8 96.0 111 111 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.975 110.9 47.7 -59.2 -56.7 19.1 10.4 95.2 112 112 A K H < S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 4,-0.2 0.862 111.0 54.3 -52.5 -39.9 16.6 12.3 97.4 113 113 A K H >< S+ 0 0 123 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.929 110.9 42.4 -59.0 -50.1 17.7 15.5 95.7 114 114 A L H 3< S+ 0 0 17 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.782 110.7 56.4 -72.5 -28.0 17.1 14.3 92.2 115 115 A L T 3< 0 0 13 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.377 360.0 360.0 -87.2 2.9 13.8 12.7 93.1 116 116 A S < 0 0 149 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.373 360.0 360.0 -70.2 360.0 12.6 16.1 94.4