==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 06-JUN-12 4AWX . COMPND 2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.-W.HUNG,J.-Y.TSAI,T.-H.JUAN,Y.-L.HSU,C.D.HSIAO,T.-H.HUANG . 315 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 1 2 1 1 3 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 3 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 1 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 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 2 A Q 0 0 156 0, 0.0 49,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -14.7 -14.9 -21.1 -0.8 2 3 A K E -a 50 0A 129 47,-0.2 2,-0.4 49,-0.1 49,-0.2 -0.592 360.0-178.5 -86.5 139.0 -11.4 -19.5 -0.7 3 4 A L E -a 51 0A 15 47,-2.0 49,-2.4 -2,-0.3 2,-0.6 -0.999 15.3-149.9-133.0 129.6 -9.6 -18.8 2.6 4 5 A T E -a 52 0A 28 -2,-0.4 80,-2.4 47,-0.2 81,-1.3 -0.907 17.2-171.7-105.0 125.2 -6.2 -17.3 3.0 5 6 A V E -ab 53 85A 0 47,-3.0 49,-2.6 -2,-0.6 2,-0.3 -0.964 12.4-148.6-121.3 129.1 -4.2 -18.4 6.1 6 7 A G E -ab 54 86A 0 79,-2.2 81,-2.7 -2,-0.4 2,-0.5 -0.725 9.7-149.1 -92.5 143.2 -0.9 -16.9 7.4 7 8 A L E +ab 55 87A 0 47,-2.6 49,-2.4 -2,-0.3 2,-0.3 -0.960 26.5 166.2-116.6 117.7 1.5 -19.2 9.1 8 9 A I E + b 0 88A 0 79,-2.4 81,-2.3 -2,-0.5 2,-0.3 -0.976 5.6 128.0-137.7 145.2 3.7 -17.6 11.8 9 10 A G E - b 0 89A 0 -2,-0.3 50,-2.3 48,-0.2 81,-0.1 -0.978 54.6 -65.9-176.2 171.5 5.9 -18.6 14.7 10 11 A N > - 0 0 4 79,-0.5 3,-0.6 -2,-0.3 5,-0.3 -0.199 65.9 -86.8 -65.6 161.4 9.3 -18.2 16.3 11 12 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.403 114.1 22.5 -68.0 152.2 12.4 -19.5 14.5 12 13 A N T 3 S+ 0 0 156 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.887 87.5 119.2 58.9 44.8 13.1 -23.2 15.1 13 14 A S S < S- 0 0 2 -3,-0.6 104,-0.1 -4,-0.1 -1,-0.1 0.401 91.0 -96.7-119.6 3.1 9.6 -24.0 16.1 14 15 A G S > S+ 0 0 18 -4,-0.1 4,-2.2 103,-0.1 5,-0.2 0.585 80.4 135.9 92.4 13.1 8.7 -26.5 13.4 15 16 A K H > S+ 0 0 17 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.895 71.0 47.9 -61.2 -43.4 7.0 -24.0 11.2 16 17 A T H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 110.7 51.1 -65.1 -44.8 8.6 -25.2 7.9 17 18 A T H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 111.5 47.8 -56.6 -45.6 7.8 -28.9 8.7 18 19 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.863 109.1 55.0 -64.9 -34.1 4.1 -27.9 9.3 19 20 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 5,-0.3 0.912 109.8 45.9 -65.0 -43.1 4.1 -25.9 6.1 20 21 A N H X S+ 0 0 73 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 108.9 55.8 -65.5 -44.0 5.3 -29.0 4.2 21 22 A Q H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 111.9 43.0 -58.5 -34.8 2.8 -31.3 5.8 22 23 A L H < S+ 0 0 9 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.810 129.1 22.3 -83.2 -30.2 -0.1 -29.1 4.8 23 24 A T H >< S+ 0 0 12 -4,-1.6 3,-1.6 1,-0.2 2,-0.4 0.769 73.6 176.2-109.1 -33.2 0.9 -28.3 1.2 24 25 A G T 3< S- 0 0 47 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.475 77.8 -4.0 66.4-116.3 3.2 -31.0 0.0 25 26 A A T 3 S+ 0 0 102 -2,-0.4 2,-2.7 1,-0.2 -1,-0.3 0.753 113.3 90.4 -82.3 -25.5 4.1 -30.4 -3.6 26 27 A R < + 0 0 145 -3,-1.6 17,-1.7 17,-0.2 2,-0.4 -0.312 61.0 125.0 -71.8 62.0 1.7 -27.4 -4.0 27 28 A Q E -C 42 0A 62 -2,-2.7 2,-0.4 15,-0.2 15,-0.2 -0.944 39.1-167.5-124.2 143.6 4.3 -24.7 -3.1 28 29 A R E -C 41 0A 123 13,-3.2 13,-2.8 -2,-0.4 2,-0.4 -0.994 9.2-153.1-130.2 135.7 5.4 -21.6 -5.0 29 30 A V E +C 40 0A 86 -2,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.846 32.8 127.9-109.3 145.9 8.4 -19.5 -4.1 30 31 A G E -C 39 0A 28 9,-1.6 9,-1.5 -2,-0.4 2,-0.3 -0.638 50.8 -84.2-159.8-141.5 8.9 -15.9 -4.8 31 32 A N E -C 38 0A 91 7,-0.3 2,-0.5 -2,-0.2 7,-0.2 -0.978 37.7 -95.4-146.5 156.1 9.8 -12.8 -2.8 32 33 A W > - 0 0 26 5,-2.2 3,-2.6 -2,-0.3 5,-0.1 -0.642 62.4 -94.2 -72.9 120.4 8.1 -10.3 -0.6 33 34 A A T 3 S+ 0 0 98 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.044 108.3 11.7 -39.2 122.8 7.4 -7.3 -2.9 34 35 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.397 118.8 72.7 88.1 -4.0 10.1 -4.7 -2.7 35 36 A V S < S- 0 0 54 -3,-2.6 -1,-0.2 2,-0.2 0, 0.0 -0.884 77.2-122.5-137.8 171.7 12.6 -6.9 -0.7 36 37 A T S S+ 0 0 132 -2,-0.3 -3,-0.1 -5,-0.1 -1,-0.1 0.703 70.7 113.2 -87.1 -23.0 14.9 -9.8 -1.2 37 38 A V S S- 0 0 32 1,-0.1 -5,-2.2 -5,-0.1 -2,-0.2 -0.244 74.2-107.7 -57.7 136.1 13.5 -12.1 1.5 38 39 A E E -C 31 0A 121 -7,-0.2 2,-0.5 1,-0.0 -7,-0.3 -0.306 26.7-157.8 -64.9 143.5 11.9 -15.2 0.1 39 40 A R E -C 30 0A 36 -9,-1.5 -9,-1.6 17,-0.1 2,-0.4 -0.967 9.2-166.9-128.4 113.7 8.1 -15.6 0.3 40 41 A K E -C 29 0A 32 -2,-0.5 15,-2.5 15,-0.4 2,-0.3 -0.850 7.0-179.0-106.3 135.7 6.8 -19.1 0.1 41 42 A E E -CD 28 54A 41 -13,-2.8 -13,-3.2 -2,-0.4 2,-0.3 -0.946 0.4-177.7-133.6 150.8 3.1 -19.9 -0.5 42 43 A G E -CD 27 53A 2 11,-2.2 11,-3.7 -2,-0.3 2,-0.3 -0.945 15.0-135.8-146.1 167.4 1.1 -23.1 -0.7 43 44 A I E + D 0 52A 35 -17,-1.7 2,-0.3 -2,-0.3 -17,-0.2 -0.953 26.6 150.4-129.0 146.0 -2.3 -24.5 -1.4 44 45 A F E - D 0 51A 12 7,-2.1 7,-2.9 -2,-0.3 2,-0.3 -0.981 32.6-113.7-163.6 164.6 -4.5 -27.2 0.2 45 46 A A E - D 0 50A 66 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.823 17.7-171.3-113.9 149.2 -8.1 -28.2 0.8 46 47 A T - 0 0 18 3,-2.8 2,-1.7 -2,-0.3 109,-0.1 -0.735 49.7 -89.5-120.5 172.7 -10.3 -28.5 3.9 47 48 A T S S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.314 126.6 16.2 -88.4 57.7 -13.7 -29.9 4.2 48 49 A D S S+ 0 0 108 -2,-1.7 2,-0.3 1,-0.2 -1,-0.2 -0.040 122.3 55.4 177.3 -40.2 -15.2 -26.5 3.4 49 50 A H - 0 0 48 -47,-0.0 -3,-2.8 -46,-0.0 2,-0.8 -0.811 59.1-139.2-124.5 155.7 -12.4 -24.4 2.0 50 51 A Q E -aD 2 45A 74 -49,-2.4 -47,-2.0 -2,-0.3 2,-0.4 -0.924 42.1-153.6-105.8 108.6 -9.6 -24.1 -0.6 51 52 A V E -aD 3 44A 0 -7,-2.9 -7,-2.1 -2,-0.8 2,-0.6 -0.683 18.9-160.3 -92.7 134.3 -6.8 -22.7 1.5 52 53 A T E -aD 4 43A 26 -49,-2.4 -47,-3.0 -2,-0.4 2,-0.6 -0.958 19.1-155.5-106.6 122.3 -3.9 -20.5 0.3 53 54 A L E -aD 5 42A 0 -11,-3.7 -11,-2.2 -2,-0.6 2,-0.6 -0.904 6.0-163.7-107.3 114.1 -1.2 -20.8 3.0 54 55 A V E -aD 6 41A 1 -49,-2.6 -47,-2.6 -2,-0.6 2,-0.4 -0.851 12.6-142.7 -99.9 119.8 1.3 -17.9 3.2 55 56 A D E -a 7 0A 17 -15,-2.5 -15,-0.4 -2,-0.6 -47,-0.1 -0.657 13.3-158.1 -81.5 129.3 4.5 -18.7 5.1 56 57 A L - 0 0 0 -49,-2.4 -47,-0.2 -2,-0.4 3,-0.1 -0.839 31.2 -94.7-105.1 146.7 5.7 -15.7 7.2 57 58 A P - 0 0 20 0, 0.0 -48,-0.2 0, 0.0 17,-0.1 -0.291 50.1 -88.8 -61.4 144.6 9.4 -15.6 8.2 58 59 A G + 0 0 16 -50,-0.1 2,-0.3 -48,-0.1 -48,-0.2 -0.252 58.8 174.2 -53.0 133.6 10.3 -17.0 11.6 59 60 A T - 0 0 2 -50,-2.3 42,-0.1 -3,-0.1 3,-0.1 -0.996 40.2-152.7-151.3 140.2 10.0 -14.2 14.2 60 61 A Y S S- 0 0 87 -2,-0.3 41,-0.3 -50,-0.1 2,-0.3 0.702 84.9 -11.7 -82.1 -21.2 10.2 -13.8 17.9 61 62 A S - 0 0 0 -52,-0.1 -1,-0.1 2,-0.1 14,-0.1 -0.951 60.3-111.1-163.1 179.4 7.9 -10.8 17.9 62 63 A L S S+ 0 0 0 -2,-0.3 2,-0.5 12,-0.1 13,-0.0 0.247 83.5 106.9-104.2 8.4 6.1 -8.2 15.8 63 64 A T - 0 0 3 145,-0.1 2,-0.7 143,-0.1 8,-0.1 -0.793 53.2-161.7 -97.4 123.1 8.3 -5.4 17.2 64 65 A T 0 0 16 -2,-0.5 143,-3.9 7,-0.1 144,-0.3 -0.893 360.0 360.0-105.6 109.6 11.0 -3.8 15.0 65 66 A I 0 0 100 -2,-0.7 141,-0.1 141,-0.2 140,-0.1 -0.692 360.0 360.0 -86.9 360.0 13.5 -2.0 17.2 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 70 A T 0 0 185 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.0 19.1 -6.0 10.7 68 71 A S - 0 0 64 1,-0.2 4,-0.3 2,-0.0 3,-0.1 -0.613 360.0-177.9 -86.1 132.9 16.0 -8.2 10.6 69 72 A L > + 0 0 60 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 0.608 66.8 91.7 -91.6 -18.5 13.2 -7.7 8.3 70 73 A D H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.860 86.2 43.8 -46.7 -53.7 11.3 -10.6 9.7 71 74 A E H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 117.8 49.0 -60.2 -39.9 9.3 -8.8 12.4 72 75 A Q H > S+ 0 0 68 -4,-0.3 4,-3.0 -3,-0.2 -2,-0.2 0.918 111.8 45.8 -64.7 -49.9 8.6 -6.0 9.9 73 76 A I H X S+ 0 0 15 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.957 116.4 45.9 -59.6 -51.8 7.4 -8.3 7.1 74 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.911 115.8 45.9 -57.5 -47.1 5.2 -10.4 9.4 75 78 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.919 113.6 48.5 -63.8 -46.3 3.8 -7.2 11.0 76 79 A H H X S+ 0 0 93 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.919 113.7 47.2 -61.6 -44.1 3.2 -5.5 7.7 77 80 A Y H X>S+ 0 0 8 -4,-2.9 5,-0.6 -5,-0.2 4,-0.6 0.908 111.7 49.4 -64.5 -44.2 1.5 -8.6 6.3 78 81 A I H ><5S+ 0 0 3 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.909 111.5 49.7 -61.4 -42.8 -0.7 -9.2 9.3 79 82 A L H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.728 96.8 71.6 -69.8 -23.0 -1.8 -5.5 9.2 80 83 A S H 3<5S- 0 0 62 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.744 96.0-132.5 -67.2 -25.9 -2.7 -5.7 5.5 81 84 A G T <<5 + 0 0 54 -3,-0.8 -3,-0.1 -4,-0.6 -2,-0.1 0.573 68.4 126.0 84.7 7.5 -5.8 -7.8 6.0 82 85 A D < + 0 0 81 -5,-0.6 2,-0.4 2,-0.0 -78,-0.1 0.826 61.7 68.1 -67.3 -33.3 -4.8 -10.3 3.2 83 86 A A - 0 0 7 -6,-0.4 -78,-0.2 1,-0.1 3,-0.1 -0.733 65.3-159.4 -91.8 136.2 -5.1 -13.2 5.6 84 87 A D S S- 0 0 87 -80,-2.4 2,-0.3 -2,-0.4 -79,-0.2 0.779 79.4 -8.0 -79.9 -29.6 -8.6 -14.2 7.0 85 88 A M E -b 5 0A 5 -81,-1.3 -79,-2.2 25,-0.1 2,-0.3 -0.979 67.7-124.2-159.7 168.3 -6.9 -16.0 9.8 86 89 A L E -be 6 112A 0 25,-2.4 27,-1.1 -2,-0.3 2,-0.6 -0.849 4.2-147.5-121.5 154.2 -3.6 -17.2 11.2 87 90 A I E -be 7 113A 0 -81,-2.7 -79,-2.4 -2,-0.3 2,-0.7 -0.987 20.8-160.2-117.1 114.2 -2.0 -20.4 12.3 88 91 A N E -be 8 114A 2 25,-2.4 27,-2.5 -2,-0.6 2,-0.6 -0.885 7.4-149.1 -99.0 113.0 0.4 -19.6 15.1 89 92 A V E -be 9 115A 0 -81,-2.3 -79,-0.5 -2,-0.7 2,-0.4 -0.738 19.3-172.4 -86.6 121.2 2.9 -22.4 15.5 90 93 A V E - e 0 116A 2 25,-2.7 27,-3.6 -2,-0.6 2,-0.8 -0.931 25.6-133.4-121.7 137.6 4.1 -22.7 19.1 91 94 A D E > - e 0 117A 13 -2,-0.4 3,-2.2 3,-0.2 7,-0.2 -0.775 14.8-156.0 -87.2 109.5 6.7 -24.9 20.7 92 95 A A G > S+ 0 0 2 25,-2.1 3,-0.6 -2,-0.8 -1,-0.2 0.753 90.8 60.8 -57.7 -25.8 5.1 -26.4 23.8 93 96 A S G 3 S+ 0 0 36 1,-0.2 -1,-0.3 24,-0.2 25,-0.1 0.410 111.5 38.2 -85.0 4.2 8.5 -26.9 25.5 94 97 A N G X> + 0 0 57 -3,-2.2 4,-2.6 1,-0.1 3,-1.1 -0.193 62.8 145.4-146.8 50.8 9.2 -23.1 25.4 95 98 A L H <> S+ 0 0 6 -3,-0.6 4,-2.4 1,-0.3 5,-0.2 0.810 70.0 64.9 -60.2 -31.7 6.0 -21.2 26.2 96 99 A E H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.818 114.7 30.8 -62.2 -31.5 7.8 -18.5 28.1 97 100 A R H X4 S+ 0 0 86 -3,-1.1 3,-1.0 -6,-0.1 4,-0.4 0.878 120.8 50.4 -91.7 -46.8 9.5 -17.4 24.8 98 101 A N H >X S+ 0 0 5 -4,-2.6 4,-1.4 -7,-0.2 3,-0.7 0.814 97.9 65.4 -62.7 -37.0 6.8 -18.4 22.3 99 102 A L H 3X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.611 84.2 73.7 -68.1 -11.3 3.8 -16.7 23.9 100 103 A Y H <> S+ 0 0 2 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.952 103.8 39.6 -65.4 -46.6 5.2 -13.1 23.4 101 104 A L H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.930 114.8 54.9 -65.0 -44.8 4.4 -13.3 19.7 102 105 A T H X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.907 107.7 48.2 -54.3 -47.8 1.2 -15.1 20.4 103 106 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.892 108.6 54.3 -62.2 -41.3 -0.0 -12.4 22.8 104 107 A Q H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.860 111.8 45.4 -60.8 -37.2 0.9 -9.7 20.2 105 108 A L H X>S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 5,-0.9 0.935 114.0 46.8 -73.0 -47.6 -1.3 -11.5 17.6 106 109 A L H <5S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.848 111.0 52.0 -64.6 -34.6 -4.2 -12.1 19.9 107 110 A E H <5S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 105.0 56.7 -68.2 -36.3 -4.2 -8.5 21.2 108 111 A L H <5S- 0 0 2 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.807 110.2-129.7 -64.2 -30.9 -4.2 -7.3 17.6 109 112 A G T <5 + 0 0 28 -4,-1.2 54,-0.3 1,-0.3 -3,-0.2 0.537 52.9 146.6 96.4 7.1 -7.4 -9.3 17.1 110 113 A I < - 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