==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 09-MAY-09 2WIC . COMPND 2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.-W.HUNG,Y.-W.CHANG,J.-H.CHEN,Y.-C.CHEN,Y.-J.SUN, . 248 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 0 1 1 1 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 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 159 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.000 360.0 360.0 360.0 133.1 33.0 -20.9 61.8 2 2 A Q E -a 39 0A 132 36,-1.9 38,-2.4 2,-0.0 2,-0.4 -0.826 360.0-109.8-117.8 162.7 34.5 -18.5 59.4 3 3 A K E -a 40 0A 161 -2,-0.3 2,-0.4 36,-0.2 38,-0.2 -0.744 32.3-178.5 -93.3 141.5 35.8 -15.1 60.1 4 4 A L E -a 41 0A 17 36,-2.4 38,-2.5 -2,-0.4 2,-0.6 -0.997 16.7-155.4-135.6 135.0 34.0 -11.9 58.9 5 5 A T E -a 42 0A 35 -2,-0.4 68,-2.6 36,-0.2 69,-1.8 -0.946 21.5-173.1-103.2 121.2 35.0 -8.3 59.2 6 6 A V E -ab 43 74A 0 36,-3.1 38,-2.6 -2,-0.6 2,-0.4 -0.943 11.8-152.6-119.5 128.1 31.9 -6.0 59.0 7 7 A G E -ab 44 75A 0 67,-1.9 69,-3.1 -2,-0.5 2,-0.8 -0.830 10.9-141.4 -96.5 133.2 31.8 -2.2 58.9 8 8 A L E +ab 45 76A 0 36,-3.4 38,-1.7 -2,-0.4 2,-0.4 -0.852 32.5 173.2 -87.2 114.3 28.9 -0.2 60.2 9 9 A I E + b 0 77A 0 67,-2.6 69,-2.3 -2,-0.8 2,-0.3 -0.947 12.6 115.7-127.8 137.1 28.4 2.6 57.8 10 10 A G E - b 0 78A 0 -2,-0.4 39,-1.6 37,-0.2 69,-0.1 -0.973 61.0 -61.1-179.7 172.6 25.6 5.2 57.6 11 11 A N S > S- 0 0 3 67,-0.5 3,-1.1 -2,-0.3 5,-0.3 -0.255 72.1 -76.3 -62.8 157.5 24.7 8.9 57.9 12 12 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 37,-0.0 -0.275 118.5 14.2 -49.8 138.1 25.3 10.8 61.2 13 13 A N T 3 S+ 0 0 146 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.758 83.3 126.0 65.0 36.6 22.7 9.8 63.7 14 14 A S S < S- 0 0 1 -3,-1.1 92,-0.1 64,-0.1 67,-0.1 0.526 87.5 -95.7-103.6 -6.2 21.2 6.8 61.9 15 15 A G S > S+ 0 0 11 -4,-0.2 4,-2.4 63,-0.1 5,-0.2 0.573 76.3 141.2 103.8 18.9 21.7 4.5 64.9 16 16 A K H > S+ 0 0 16 -5,-0.3 4,-3.3 1,-0.2 5,-0.1 0.941 76.4 42.6 -57.0 -51.2 25.1 2.8 64.1 17 17 A T H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.908 112.3 54.2 -64.9 -38.7 26.5 2.9 67.7 18 18 A T H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 112.1 44.2 -56.7 -50.5 23.1 1.7 69.1 19 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.921 111.0 55.2 -61.3 -45.3 23.2 -1.2 66.7 20 20 A F H X S+ 0 0 9 -4,-3.3 4,-2.4 -5,-0.2 5,-0.3 0.948 108.8 47.5 -48.4 -53.2 26.9 -1.8 67.6 21 21 A N H X>S+ 0 0 66 -4,-2.9 4,-1.8 1,-0.2 5,-1.4 0.883 111.9 51.0 -59.7 -38.2 26.0 -2.0 71.3 22 22 A Q H <5S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.930 112.7 43.9 -64.6 -47.8 23.1 -4.4 70.6 23 23 A L H <5S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 122.4 37.6 -65.4 -38.1 25.2 -6.8 68.5 24 24 A T H <5S- 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.645 101.7-127.8 -93.1 -15.1 28.2 -6.8 70.9 25 25 A G T <5 - 0 0 64 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.848 41.0-166.3 71.1 36.5 26.2 -6.7 74.1 26 26 A A < - 0 0 44 -5,-1.4 2,-0.2 -6,-0.2 -1,-0.1 -0.100 21.0-105.2 -61.2 149.0 28.2 -3.7 75.3 27 27 A R 0 0 234 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.520 360.0 360.0 -72.4 137.5 28.2 -2.4 78.8 28 28 A Q 0 0 149 -2,-0.2 -1,-0.1 -7,-0.0 -2,-0.0 0.926 360.0 360.0 -62.9 360.0 26.2 0.8 79.5 29 ! 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 30 41 A K 0 0 165 0, 0.0 15,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 94.7 37.2 0.1 69.5 31 42 A E - 0 0 136 13,-0.1 13,-0.2 1,-0.0 2,-0.2 -0.578 360.0-146.5 -83.1 142.4 36.3 -3.1 67.5 32 43 A G E -C 43 0A 9 11,-2.9 11,-2.0 -2,-0.2 2,-0.3 -0.571 5.6-156.7 -96.0 167.0 33.5 -5.5 68.6 33 44 A I E +C 42 0A 103 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.981 20.8 154.1-143.6 130.6 33.2 -9.2 68.3 34 45 A F E -C 41 0A 14 7,-2.0 7,-3.1 -2,-0.3 2,-0.4 -0.973 34.8-116.0-148.2 163.1 30.1 -11.4 68.2 35 46 A A E -C 40 0A 64 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.834 20.0-173.2-102.2 139.4 29.0 -14.8 66.8 36 47 A T - 0 0 12 3,-3.3 111,-0.1 -2,-0.4 107,-0.0 -0.505 53.1 -85.8-100.7-171.5 26.4 -15.5 64.2 37 48 A T S S+ 0 0 101 -2,-0.2 110,-0.1 1,-0.2 3,-0.0 0.926 126.2 14.8 -57.1 -44.7 25.4 -19.0 63.4 38 49 A D S S+ 0 0 75 -37,-0.1 -36,-1.9 1,-0.0 2,-0.4 0.473 120.7 59.1-109.1 -14.1 28.3 -19.4 60.9 39 50 A H E -a 2 0A 25 -38,-0.2 -3,-3.3 2,-0.0 2,-0.7 -0.955 58.0-143.0-128.1 145.8 30.7 -16.5 61.6 40 51 A Q E -aC 3 35A 86 -38,-2.4 -36,-2.4 -2,-0.4 2,-0.6 -0.947 40.4-154.4 -89.9 115.0 32.9 -14.8 64.2 41 52 A V E -aC 4 34A 0 -7,-3.1 -7,-2.0 -2,-0.7 2,-0.6 -0.858 17.7-157.5-106.0 122.1 32.3 -11.2 63.3 42 53 A T E -aC 5 33A 26 -38,-2.5 -36,-3.1 -2,-0.6 2,-0.4 -0.864 24.3-156.3 -87.9 120.9 34.7 -8.4 64.0 43 54 A L E -aC 6 32A 0 -11,-2.0 -11,-2.9 -2,-0.6 2,-0.5 -0.897 10.3-162.1-111.3 128.5 32.5 -5.3 63.9 44 55 A V E -a 7 0A 18 -38,-2.6 -36,-3.4 -2,-0.4 2,-1.0 -0.949 10.5-149.0-116.1 118.5 33.8 -1.8 63.2 45 56 A D E -a 8 0A 29 -2,-0.5 -36,-0.1 -15,-0.4 -38,-0.1 -0.741 25.4-159.8 -82.3 102.8 31.6 1.2 64.2 46 57 A L - 0 0 9 -38,-1.7 -36,-0.1 -2,-1.0 3,-0.1 -0.571 23.4 -97.8 -92.9 148.8 32.6 3.8 61.5 47 58 A P - 0 0 44 0, 0.0 16,-0.3 0, 0.0 -37,-0.2 -0.328 51.2 -99.4 -55.5 139.7 32.1 7.7 61.8 48 59 A G + 0 0 8 -39,-0.1 12,-0.6 -37,-0.1 2,-0.3 -0.162 44.1 177.3 -63.3 152.4 28.9 8.9 60.0 49 60 A T - 0 0 12 -39,-1.6 3,-0.1 10,-0.1 41,-0.1 -0.972 30.7-150.4-154.5 144.6 29.0 10.4 56.6 50 61 A Y S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.3 40,-0.2 0.602 84.6 2.2 -86.5 -13.1 26.4 11.7 54.1 51 62 A S - 0 0 27 38,-0.1 -1,-0.3 39,-0.1 13,-0.1 -0.983 55.6-129.8-171.2 148.1 28.4 10.8 51.1 52 63 A L S S+ 0 0 0 -2,-0.3 2,-0.5 -3,-0.1 9,-0.0 0.212 87.0 88.9 -92.1 12.7 31.6 9.3 49.9 53 64 A T + 0 0 26 145,-0.1 2,-0.4 146,-0.0 -3,-0.1 -0.961 48.5 173.3-112.0 122.6 32.3 12.3 47.7 54 65 A T + 0 0 23 -2,-0.5 145,-2.1 1,-0.1 146,-0.4 -0.987 12.3 174.9-125.8 126.1 34.2 15.3 49.0 55 66 A I S S+ 0 0 120 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.587 79.1 4.5 -95.8 -16.7 35.2 18.1 46.6 56 67 A S 0 0 82 142,-0.0 -1,-0.3 0, 0.0 142,-0.0 -0.865 360.0 360.0-170.3 129.6 36.6 20.3 49.5 57 68 A S 0 0 124 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.583 360.0 360.0-157.9 360.0 37.2 19.9 53.3 58 ! 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 59 73 A D 0 0 103 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 0.000 360.0 360.0 360.0 57.3 32.8 12.7 61.6 60 74 A E + 0 0 30 -12,-0.6 -14,-0.0 1,-0.1 0, 0.0 -0.989 360.0 157.4-159.6 141.4 34.5 11.2 58.4 61 75 A Q S > S+ 0 0 18 -2,-0.3 4,-2.2 -12,-0.1 5,-0.2 -0.231 92.5 94.3-116.8 16.8 35.9 10.6 55.1 62 76 A I H > S+ 0 0 103 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.930 76.2 52.8 -63.1 -47.1 37.3 7.9 57.5 63 77 A A H > S+ 0 0 0 -16,-0.3 4,-3.6 2,-0.2 5,-0.2 0.941 108.8 51.2 -57.7 -45.5 34.6 5.4 56.5 64 78 A C H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.942 112.4 44.5 -58.2 -50.4 35.4 5.9 52.8 65 79 A H H X S+ 0 0 60 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.911 115.0 49.3 -62.6 -39.6 39.1 5.3 53.4 66 80 A Y H >X>S+ 0 0 33 -4,-3.3 3,-0.9 2,-0.2 5,-0.7 0.943 111.2 50.3 -59.8 -47.4 38.2 2.3 55.5 67 81 A I H ><5S+ 0 0 7 -4,-3.6 3,-0.9 1,-0.2 -2,-0.2 0.909 112.9 45.6 -54.9 -48.3 35.8 1.0 52.8 68 82 A L H 3<5S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.564 96.7 74.9 -77.5 -8.2 38.4 1.3 50.1 69 83 A S H <<5S- 0 0 58 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.698 98.9-128.7 -77.3 -19.9 41.2 -0.3 52.2 70 84 A G T <<5S+ 0 0 55 -3,-0.9 -3,-0.1 -4,-0.5 -2,-0.1 0.530 74.3 123.1 83.0 7.2 39.6 -3.8 51.7 71 85 A D < + 0 0 96 -5,-0.7 2,-0.4 2,-0.0 -4,-0.1 0.877 58.9 71.3 -67.8 -37.2 39.6 -4.4 55.5 72 86 A A - 0 0 14 -6,-0.5 -66,-0.2 -5,-0.2 3,-0.1 -0.645 57.1-169.3 -84.1 132.9 35.8 -5.0 55.5 73 87 A D S S+ 0 0 78 -68,-2.6 2,-0.3 -2,-0.4 -67,-0.2 0.787 78.9 4.0 -77.6 -34.9 34.4 -8.2 54.0 74 88 A M E -b 6 0A 8 -69,-1.8 -67,-1.9 25,-0.1 2,-0.4 -0.974 69.0-135.4-148.4 152.9 30.8 -6.8 54.2 75 89 A L E -bd 7 101A 0 25,-2.3 27,-2.1 -2,-0.3 2,-0.7 -0.926 3.9-150.2-113.4 145.9 29.1 -3.7 55.2 76 90 A I E -bd 8 102A 0 -69,-3.1 -67,-2.6 -2,-0.4 2,-0.8 -0.972 20.0-155.1-103.1 112.3 26.0 -3.1 57.3 77 91 A N E -bd 9 103A 2 25,-3.1 27,-3.0 -2,-0.7 2,-0.6 -0.826 6.7-151.6 -91.4 110.6 24.5 0.1 55.9 78 92 A V E -bd 10 104A 0 -69,-2.3 -67,-0.5 -2,-0.8 2,-0.4 -0.760 18.3-173.7 -88.6 118.0 22.5 1.6 58.7 79 93 A V E - d 0 105A 0 25,-2.9 27,-2.4 -2,-0.6 2,-0.8 -0.949 25.7-130.0-121.5 132.3 19.7 3.7 57.2 80 94 A D E > - d 0 106A 11 -2,-0.4 3,-1.9 3,-0.2 7,-0.3 -0.706 14.7-158.4 -84.0 109.5 17.2 5.9 59.0 81 95 A A G > S+ 0 0 1 25,-2.7 3,-0.8 -2,-0.8 -1,-0.2 0.710 89.0 62.7 -57.4 -25.3 13.8 4.8 57.7 82 96 A S G 3 S+ 0 0 16 1,-0.3 -1,-0.3 24,-0.2 3,-0.1 0.587 114.7 31.7 -81.3 -8.5 12.3 8.2 58.7 83 97 A N G <> S+ 0 0 58 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 -0.370 78.4 154.0-138.8 52.9 14.6 10.0 56.2 84 98 A L H <> + 0 0 9 -3,-0.8 4,-2.2 1,-0.2 -2,-0.1 0.884 66.7 49.1 -55.4 -51.9 14.9 7.4 53.5 85 99 A E H > S+ 0 0 89 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.900 113.6 46.5 -64.4 -40.7 15.6 9.5 50.4 86 100 A R H >4 S+ 0 0 137 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.896 114.2 48.7 -64.5 -40.4 18.3 11.5 52.1 87 101 A N H >X S+ 0 0 3 -4,-2.1 4,-1.3 -7,-0.3 3,-0.5 0.811 99.6 67.9 -72.0 -31.1 19.9 8.3 53.5 88 102 A L H 3X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.643 81.1 75.0 -67.4 -15.2 19.8 6.4 50.2 89 103 A Y H S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.5 5,-0.2 0.928 112.6 56.6 -60.2 -44.0 25.2 7.0 50.6 91 105 A T H X S+ 0 0 1 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.938 105.6 50.9 -52.2 -52.1 23.6 3.5 50.1 92 106 A L H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.872 107.8 53.2 -54.4 -36.0 23.7 4.0 46.3 93 107 A Q H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.934 109.4 47.9 -68.0 -41.9 27.4 4.9 46.4 94 108 A L H X>S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 5,-0.8 0.886 112.7 48.4 -60.7 -43.1 28.1 1.8 48.4 95 109 A L H <5S+ 0 0 4 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.893 109.9 52.1 -70.4 -36.7 26.1 -0.4 45.9 96 110 A E H <5S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.907 107.4 53.4 -61.4 -40.3 27.9 1.3 42.9 97 111 A L H <5S- 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.835 106.0-138.7 -61.6 -31.4 31.2 0.4 44.6 98 112 A G T <5 + 0 0 30 -4,-1.4 57,-0.4 1,-0.3 -3,-0.2 0.475 44.8 152.7 87.2 0.6 29.9 -3.2 44.8 99 113 A I < - 0 0 20 -5,-0.8 -1,-0.3 1,-0.1 -25,-0.1 -0.487 59.5 -98.1 -61.8 131.2 31.1 -4.1 48.3 100 114 A P + 0 0 38 0, 0.0 -25,-2.3 0, 0.0 2,-0.3 -0.246 60.4 171.8 -51.6 127.4 28.9 -6.8 49.8 101 115 A C E -d 75 0A 1 -27,-0.2 2,-0.4 -3,-0.1 -25,-0.2 -0.984 34.3-154.8-145.6 161.8 26.3 -5.2 52.0 102 116 A V E -d 76 0A 0 -27,-2.1 -25,-3.1 -2,-0.3 2,-0.6 -0.986 24.7-131.8-127.6 135.0 23.2 -5.5 54.0 103 117 A V E -de 77 131A 0 27,-3.0 29,-3.3 -2,-0.4 2,-0.8 -0.820 10.9-159.4 -87.6 120.4 20.8 -2.6 54.7 104 118 A A E -de 78 132A 0 -27,-3.0 -25,-2.9 -2,-0.6 2,-1.2 -0.925 11.7-156.0 -96.8 104.1 19.8 -2.3 58.3 105 119 A L E +de 79 133A 0 27,-2.7 29,-3.0 -2,-0.8 3,-0.3 -0.751 26.5 179.6 -89.2 97.3 16.6 -0.2 57.9 106 120 A N E +d 80 0A 5 -27,-2.4 -25,-2.7 -2,-1.2 -24,-0.2 -0.322 47.2 41.7 -99.5 174.8 16.6 1.3 61.4 107 121 A M > + 0 0 37 -27,-0.2 4,-2.3 -26,-0.1 -1,-0.2 0.826 62.0 149.5 56.0 34.7 14.3 3.8 63.2 108 122 A L H > + 0 0 39 26,-1.4 4,-2.5 -3,-0.3 27,-0.1 0.760 67.8 60.8 -73.7 -23.6 11.1 2.1 61.8 109 123 A D H > S+ 0 0 31 25,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 107.5 44.4 -63.0 -43.6 9.2 3.1 64.9 110 124 A I H > S+ 0 0 60 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.903 112.3 51.6 -66.4 -44.7 9.9 6.8 64.1 111 125 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 -2,-0.2 0.950 109.0 51.2 -55.1 -51.7 9.0 6.2 60.4 112 126 A E H ><5S+ 0 0 145 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.905 108.0 52.4 -53.3 -45.3 5.7 4.6 61.5 113 127 A K H 3<5S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.9 49.7 -60.4 -38.2 4.9 7.6 63.8 114 128 A Q T 3<5S- 0 0 115 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.255 120.5-111.3 -85.7 17.4 5.5 10.0 60.9 115 129 A Q T < 5 + 0 0 163 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.777 63.8 155.3 60.6 30.4 3.1 7.8 58.7 116 130 A V < - 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