==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-JAN-11 3QH2 . COMPND 2 MOLECULE: REGULATORY PROTEIN TENI; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.HAN,Y.ZHANG,A.HAZRA,A.CHATTERJEE,R.LAI,T.P.BEGLEY,S.E.EALI . 783 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 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 . 54 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 4 2 4 6 0 4 2 5 1 4 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 15 12 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 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 4 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 S 0 0 102 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.4 -2.2 25.8 43.9 2 0 A H - 0 0 101 192,-0.0 2,-0.5 164,-0.0 189,-0.0 -0.656 360.0-160.3 -82.1 121.2 1.6 25.5 43.5 3 1 A M - 0 0 12 -2,-0.5 163,-0.3 187,-0.1 2,-0.1 -0.884 16.0-129.2-103.0 129.6 3.1 27.9 41.0 4 2 A E E -a 166 0A 66 161,-2.0 163,-2.0 -2,-0.5 2,-0.5 -0.446 10.6-147.8 -76.8 147.8 6.6 27.1 39.6 5 3 A L E -a 167 0A 2 161,-0.2 25,-2.2 -2,-0.1 26,-1.6 -0.969 13.8-171.0-119.3 114.1 9.4 29.6 39.6 6 4 A H E -ab 168 31A 4 161,-2.7 163,-2.6 -2,-0.5 2,-0.4 -0.934 8.1-156.0-107.5 120.6 11.9 29.3 36.7 7 5 A A E -ab 169 32A 0 24,-2.7 26,-2.9 -2,-0.6 2,-0.5 -0.835 9.0-156.6 -91.4 135.3 15.1 31.4 36.7 8 6 A I E - b 0 33A 6 161,-2.7 166,-0.2 -2,-0.4 26,-0.2 -0.950 16.3-125.4-117.0 120.0 16.7 32.1 33.3 9 7 A T - 0 0 0 24,-2.5 162,-0.1 -2,-0.5 9,-0.0 -0.172 17.5-135.3 -64.3 162.3 20.4 32.8 32.9 10 8 A D - 0 0 17 160,-0.1 -1,-0.1 26,-0.1 26,-0.1 0.217 19.5-126.0-116.3 11.7 21.2 36.1 31.1 11 9 A D S S+ 0 0 36 1,-0.1 27,-0.1 2,-0.1 25,-0.1 0.828 85.4 96.3 50.2 41.0 24.1 35.4 28.7 12 10 A S + 0 0 93 2,-0.1 -1,-0.1 1,-0.0 24,-0.0 0.427 61.1 76.6-133.6 -5.2 26.2 38.3 30.2 13 11 A K S S- 0 0 28 1,-0.0 -2,-0.1 2,-0.0 -1,-0.0 -0.857 78.6-103.3-123.4 148.9 28.6 36.9 32.8 14 12 A P > - 0 0 74 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.323 44.5-111.0 -58.6 152.5 32.0 35.0 32.9 15 13 A V H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.839 114.4 57.1 -63.5 -35.9 31.3 31.3 33.7 16 14 A E H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 111.3 42.4 -58.8 -46.3 33.0 31.5 37.2 17 15 A E H > S+ 0 0 78 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.919 114.3 50.8 -66.4 -44.5 30.7 34.3 38.3 18 16 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.890 107.6 54.0 -64.5 -38.9 27.6 32.7 36.8 19 17 A A H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.929 107.5 50.6 -58.0 -47.7 28.4 29.3 38.5 20 18 A R H X S+ 0 0 158 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.923 111.2 48.2 -58.3 -44.7 28.5 31.1 41.9 21 19 A I H X S+ 0 0 19 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.933 109.2 52.4 -63.3 -45.7 25.2 32.7 41.4 22 20 A I H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.907 110.1 49.2 -58.5 -43.3 23.5 29.5 40.2 23 21 A I H >< S+ 0 0 25 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.924 109.3 51.2 -64.2 -42.5 24.7 27.7 43.4 24 22 A T H 3< S+ 0 0 37 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.845 115.2 41.5 -65.2 -32.3 23.5 30.4 45.8 25 23 A I H >X S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 4,-0.8 0.496 81.9 103.6 -93.5 -3.4 19.9 30.6 44.4 26 24 A Q T << S+ 0 0 1 -3,-0.7 3,-0.4 -4,-0.7 -1,-0.2 0.777 80.8 48.1 -57.5 -31.7 19.3 26.8 43.9 27 25 A N T 34 S+ 0 0 40 422,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.551 106.2 57.8 -86.0 -4.0 17.0 26.4 46.9 28 26 A E T <4 S+ 0 0 56 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 0.569 105.6 50.0-101.4 -11.5 14.8 29.4 46.2 29 27 A V < - 0 0 4 -4,-0.8 -23,-0.1 -3,-0.4 3,-0.1 -0.822 66.4-139.5-126.4 164.0 13.7 28.3 42.6 30 28 A D S S+ 0 0 51 -25,-2.2 2,-0.3 1,-0.3 -24,-0.2 0.823 85.9 11.7 -88.9 -34.7 12.2 25.2 41.0 31 29 A F E -b 6 0A 28 -26,-1.6 -24,-2.7 2,-0.0 2,-0.4 -0.988 56.2-153.2-144.8 150.1 14.2 25.3 37.7 32 30 A I E -bc 7 61A 0 28,-2.5 30,-2.4 -2,-0.3 2,-0.6 -0.984 15.2-152.2-125.5 116.3 17.2 27.0 36.2 33 31 A H E -bc 8 62A 1 -26,-2.9 -24,-2.5 -2,-0.4 2,-0.8 -0.804 8.6-144.1 -91.5 119.5 17.4 27.4 32.4 34 32 A I E + c 0 63A 1 28,-3.0 30,-2.3 -2,-0.6 2,-0.1 -0.765 32.8 161.3 -81.9 111.0 20.9 27.6 31.0 35 33 A R + 0 0 80 -2,-0.8 2,-1.3 28,-0.1 3,-0.2 -0.502 8.0 150.7-134.5 57.9 20.5 30.1 28.1 36 34 A E > + 0 0 6 1,-0.2 3,-1.8 28,-0.2 8,-0.1 -0.591 15.0 172.4 -95.0 71.7 24.1 31.3 27.3 37 35 A R T 3 S+ 0 0 161 -2,-1.3 -1,-0.2 1,-0.3 -27,-0.0 0.759 72.5 48.6 -50.6 -37.7 23.4 31.9 23.6 38 36 A S T 3 S+ 0 0 101 -3,-0.2 2,-0.3 -27,-0.1 -1,-0.3 0.437 94.2 89.9 -89.1 -2.5 26.7 33.6 23.0 39 37 A K S < S- 0 0 40 -3,-1.8 2,-0.1 1,-0.1 -3,-0.0 -0.718 74.4-118.2 -98.2 151.2 29.0 31.0 24.6 40 38 A S > - 0 0 44 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.320 29.4-105.6 -73.1 162.5 30.6 27.9 23.0 41 39 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 121.5 56.7 -50.6 -45.9 29.9 24.3 23.9 42 40 A A H > S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.879 109.9 44.2 -58.2 -40.9 33.4 24.2 25.6 43 41 A D H > S+ 0 0 69 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 113.2 49.7 -71.9 -41.1 32.5 27.2 27.8 44 42 A I H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.937 110.0 51.1 -63.5 -43.5 29.0 25.9 28.7 45 43 A L H X S+ 0 0 36 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.833 108.7 52.9 -63.5 -30.7 30.5 22.4 29.6 46 44 A K H X S+ 0 0 95 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.885 107.7 51.1 -69.5 -39.0 33.0 24.3 31.8 47 45 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.930 110.0 49.6 -59.3 -44.3 30.0 26.0 33.5 48 46 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.919 108.8 51.7 -68.7 -41.6 28.3 22.7 34.1 49 47 A D H X S+ 0 0 91 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.924 109.3 51.4 -54.9 -47.5 31.5 21.2 35.6 50 48 A L H X S+ 0 0 59 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.917 114.0 42.1 -57.2 -46.3 31.8 24.2 38.0 51 49 A I H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.5 0.868 113.0 53.1 -76.0 -29.5 28.2 23.8 39.2 52 50 A F H ><5S+ 0 0 36 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.908 113.1 44.1 -64.9 -42.4 28.4 19.9 39.5 53 51 A E H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.679 107.9 60.4 -73.5 -17.7 31.5 20.3 41.6 54 52 A G T 3<5S- 0 0 13 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.550 122.4-106.8 -85.1 -10.1 29.7 23.0 43.5 55 53 A G T < 5 + 0 0 7 -3,-0.8 366,-0.3 -4,-0.5 -3,-0.2 0.465 55.7 168.7 103.7 4.7 27.0 20.5 44.5 56 54 A I < - 0 0 14 -5,-2.1 2,-0.8 1,-0.1 -1,-0.2 -0.023 41.0-115.4 -47.9 146.2 24.0 21.5 42.4 57 55 A D > - 0 0 29 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.794 23.1-153.2 -82.5 108.8 20.9 19.2 42.1 58 56 A K G > S+ 0 0 73 -2,-0.8 3,-1.5 1,-0.3 18,-0.3 0.670 85.7 71.9 -57.2 -24.4 20.8 18.2 38.4 59 57 A R G 3 S+ 0 0 167 1,-0.3 -1,-0.3 16,-0.1 -2,-0.0 0.672 92.8 58.2 -71.2 -14.5 17.0 17.6 38.3 60 58 A K G < S+ 0 0 39 -3,-1.7 -28,-2.5 -29,-0.1 2,-0.3 0.523 87.2 102.7 -84.8 -8.0 16.5 21.4 38.5 61 59 A L E < -c 32 0A 1 -3,-1.5 2,-0.4 -30,-0.2 16,-0.3 -0.611 46.1-175.1 -89.5 136.4 18.6 22.1 35.3 62 60 A V E -c 33 0A 2 -30,-2.4 -28,-3.0 -2,-0.3 2,-0.6 -0.993 16.2-144.2-124.7 128.9 17.1 22.9 31.9 63 61 A M E -cd 34 78A 2 14,-2.5 16,-2.6 -2,-0.4 2,-0.5 -0.812 12.6-148.6 -92.9 122.9 19.1 23.3 28.7 64 62 A N E S- d 0 79A 23 -30,-2.3 2,-2.0 -2,-0.6 16,-0.2 -0.811 71.2 -23.3 -87.3 126.5 17.9 26.0 26.4 65 63 A G S S+ 0 0 12 14,-2.6 2,-1.6 -2,-0.5 3,-0.2 -0.242 111.0 94.7 80.9 -52.4 18.6 25.2 22.7 66 64 A R > + 0 0 31 -2,-2.0 4,-2.0 1,-0.2 5,-0.2 -0.535 38.4 166.1 -86.5 84.2 21.5 22.8 23.0 67 65 A V H > S+ 0 0 1 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.883 76.7 58.6 -65.1 -35.1 20.0 19.4 22.9 68 66 A D H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 106.3 47.0 -60.2 -44.2 23.5 17.8 22.4 69 67 A I H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 6,-0.2 0.947 111.5 50.8 -64.9 -46.0 24.8 19.4 25.6 70 68 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 3,-0.7 0.935 111.6 49.3 -54.2 -47.5 21.8 18.2 27.7 71 69 A L H ><5S+ 0 0 20 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.915 113.8 42.0 -62.8 -46.8 22.2 14.7 26.3 72 70 A F H 3<5S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.496 115.3 51.9 -85.4 -0.1 25.9 14.2 27.0 73 71 A S T <<5S- 0 0 11 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.251 110.6-115.9-109.3 9.2 25.6 15.9 30.5 74 72 A T T < 5 + 0 0 85 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.866 63.8 148.8 49.5 40.3 22.7 13.7 31.8 75 73 A I < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.904 32.6-162.8 -93.1 129.2 20.4 16.7 31.9 76 74 A H + 0 0 103 -2,-0.5 22,-2.9 -18,-0.3 2,-0.4 0.294 61.1 72.7 -99.2 9.6 16.8 15.5 31.3 77 75 A R E - e 0 98A 71 -16,-0.3 -14,-2.5 20,-0.2 2,-0.3 -0.984 53.5-179.7-133.3 127.9 15.0 18.7 30.4 78 76 A V E -de 63 99A 1 20,-2.3 22,-2.8 -2,-0.4 2,-0.5 -0.945 17.1-151.1-126.2 149.7 15.2 20.9 27.3 79 77 A Q E -de 64 100A 1 -16,-2.6 -14,-2.6 -2,-0.3 22,-0.2 -0.979 18.5-149.4-117.6 123.5 13.6 24.1 26.2 80 78 A L E - e 0 101A 0 20,-2.9 22,-2.2 -2,-0.5 3,-0.1 -0.831 9.4-135.6-104.0 117.4 13.2 24.6 22.4 81 79 A P > - 0 0 40 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.198 36.5 -85.4 -62.1 154.7 13.3 28.0 20.8 82 80 A S T 3 S+ 0 0 51 1,-0.2 156,-0.1 19,-0.0 3,-0.1 -0.392 116.7 21.4 -55.9 127.8 10.8 29.2 18.1 83 81 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.2 -2,-0.1 158,-0.1 0.483 106.5 97.8 90.0 3.6 12.0 28.0 14.7 84 82 A S S < S- 0 0 20 -3,-1.8 -1,-0.2 1,-0.3 -4,-0.1 -0.025 83.1 -24.8-103.9-149.6 14.2 25.3 16.0 85 83 A F - 0 0 4 -20,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.142 64.3-119.8 -60.2 152.1 13.7 21.5 16.4 86 84 A S > - 0 0 28 1,-0.1 4,-1.8 -3,-0.1 3,-0.2 -0.669 18.9-121.6 -86.8 153.7 10.2 20.1 16.7 87 85 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.858 112.3 60.8 -62.0 -32.7 9.3 18.2 19.9 88 86 A K H > S+ 0 0 119 27,-0.2 4,-2.0 2,-0.2 5,-0.1 0.910 104.1 48.1 -58.9 -47.9 8.4 15.2 17.7 89 87 A Q H > S+ 0 0 73 -3,-0.2 4,-1.4 2,-0.2 5,-0.2 0.932 113.9 47.4 -54.0 -51.3 11.9 15.0 16.3 90 88 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-0.4 0.932 111.6 49.8 -60.0 -46.6 13.4 15.2 19.8 91 89 A R H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 104.0 58.4 -70.1 -29.5 11.1 12.7 21.2 92 90 A A H < S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.888 119.2 29.8 -63.5 -38.3 11.8 10.1 18.5 93 91 A R H < S+ 0 0 99 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.816 135.6 24.5 -90.2 -34.9 15.5 10.0 19.3 94 92 A F >< + 0 0 6 -4,-2.9 3,-2.0 -5,-0.2 -1,-0.2 -0.560 64.3 168.1-132.3 67.5 15.6 10.9 23.0 95 93 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.644 70.4 69.4 -64.1 -14.7 12.2 9.8 24.5 96 94 A H T 3 S+ 0 0 90 2,-0.1 2,-0.2 -19,-0.0 -5,-0.1 0.522 79.7 101.2 -76.6 -6.7 13.4 10.2 28.1 97 95 A L S < S- 0 0 4 -3,-2.0 2,-0.5 -7,-0.1 -20,-0.2 -0.569 70.0-134.7 -83.6 141.0 13.6 14.0 27.8 98 96 A H E -e 77 0A 77 -22,-2.9 -20,-2.3 -2,-0.2 2,-0.5 -0.845 32.0-149.3 -86.7 129.2 11.0 16.4 29.2 99 97 A I E -e 78 0A 0 -2,-0.5 19,-2.6 -22,-0.2 20,-1.0 -0.894 18.9-176.2-118.0 119.4 10.4 19.0 26.4 100 98 A G E -ef 79 119A 0 -22,-2.8 -20,-2.9 -2,-0.5 2,-0.4 -0.815 10.5-153.3-103.2 149.0 9.3 22.6 26.6 101 99 A R E -ef 80 120A 21 18,-1.8 20,-2.2 -2,-0.3 2,-0.5 -0.985 11.9-136.8-119.5 136.7 8.5 25.0 23.7 102 100 A S E - f 0 121A 20 -22,-2.2 2,-0.3 -2,-0.4 20,-0.2 -0.792 32.3-179.2 -86.0 122.2 8.9 28.8 23.7 103 101 A V E - f 0 122A 0 18,-2.9 20,-1.4 -2,-0.5 3,-0.1 -0.889 26.2-171.7-130.5 154.7 5.8 30.4 22.0 104 102 A H + 0 0 100 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.223 68.6 34.3-132.7 9.7 4.8 34.0 21.2 105 103 A S S > S- 0 0 34 1,-0.1 4,-2.0 28,-0.0 5,-0.1 -0.967 81.2-105.6-158.8 165.4 1.2 33.8 19.9 106 104 A L H > S+ 0 0 16 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.874 118.8 50.8 -63.3 -41.5 -2.0 31.8 20.5 107 105 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 108.9 50.3 -68.7 -38.4 -1.6 29.8 17.3 108 106 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 110.6 51.4 -66.2 -38.1 2.0 28.9 18.0 109 107 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.935 110.2 48.1 -60.0 -47.6 0.9 27.7 21.5 110 108 A V H X S+ 0 0 35 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.931 112.7 49.1 -60.5 -43.7 -1.9 25.5 20.0 111 109 A Q H X S+ 0 0 87 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.914 105.1 57.8 -61.7 -42.8 0.6 24.1 17.4 112 110 A A H <>S+ 0 0 2 -4,-2.4 5,-2.3 1,-0.2 -1,-0.2 0.881 106.4 49.4 -57.0 -39.6 3.1 23.3 20.2 113 111 A E H ><5S+ 0 0 57 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.890 109.1 52.0 -67.7 -39.2 0.6 21.1 21.9 114 112 A K H 3<5S+ 0 0 142 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.879 105.8 54.3 -63.0 -37.0 -0.3 19.3 18.7 115 113 A E T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.1 -27,-0.2 0.287 124.2-106.4 -83.4 11.8 3.4 18.5 18.1 116 114 A D T < 5 + 0 0 78 -3,-1.3 -3,-0.2 -5,-0.2 -17,-0.2 0.712 56.3 167.1 72.3 31.0 3.5 17.0 21.6 117 115 A A < - 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