==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 13-JAN-03 1NNF . COMPND 2 MOLECULE: IRON-UTILIZATION PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.R.SHOULDICE,D.R.DOUGAN,R.J.SKENE,L.W.TARI,D.E.MCREE,R.- . 306 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 1 0 0 1 1 2 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 D 0 0 117 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 152.6 -4.4 22.8 10.8 2 2 A I E -a 28 0A 1 25,-2.6 27,-2.5 239,-0.1 2,-0.5 -0.876 360.0-132.2-130.7 159.7 -1.4 20.6 10.4 3 3 A T E -a 29 0A 33 -2,-0.3 49,-2.9 47,-0.3 50,-1.6 -0.954 22.2-165.5-112.1 128.3 1.3 18.8 12.3 4 4 A V E -ab 30 53A 0 25,-3.1 27,-2.8 -2,-0.5 2,-0.5 -0.965 15.3-145.3-119.3 116.8 4.9 19.3 11.2 5 5 A Y E -ab 31 54A 5 48,-2.6 50,-2.9 -2,-0.5 2,-0.6 -0.763 29.4-156.8 -75.8 125.1 7.7 17.1 12.5 6 6 A N E +ab 32 55A 1 25,-2.8 27,-2.3 -2,-0.5 50,-0.2 -0.922 36.9 161.8-123.0 110.2 10.5 19.5 12.6 7 7 A G + 0 0 11 48,-3.1 28,-0.4 -2,-0.6 49,-0.2 0.466 57.5 97.0 -94.7 -7.4 14.2 18.7 12.5 8 8 A Q S S- 0 0 8 47,-0.7 25,-0.2 1,-0.2 47,-0.1 -0.370 96.0 -72.4 -79.4 158.2 15.2 22.2 11.5 9 9 A Q > - 0 0 112 1,-0.1 4,-2.1 -2,-0.1 3,-0.4 -0.268 47.9-123.2 -49.1 135.3 16.4 24.8 14.0 10 10 A K H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.822 106.8 57.3 -60.5 -34.4 13.4 25.9 16.0 11 11 A E H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 109.4 44.1 -64.3 -44.3 13.8 29.6 15.2 12 12 A A H > S+ 0 0 1 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.921 114.7 49.0 -64.4 -45.9 13.6 29.0 11.4 13 13 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.910 109.9 51.3 -64.0 -40.6 10.7 26.6 11.7 14 14 A T H X S+ 0 0 50 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.904 109.0 52.5 -62.9 -40.8 8.7 28.9 13.9 15 15 A A H X S+ 0 0 29 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.918 112.0 42.0 -63.2 -48.1 9.2 31.7 11.4 16 16 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.862 112.0 56.1 -70.1 -34.9 7.9 29.9 8.4 17 17 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.5 46.7 -63.2 -37.4 5.1 28.4 10.3 18 18 A K H X S+ 0 0 127 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.901 110.6 50.0 -71.9 -41.7 3.9 31.9 11.3 19 19 A A H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 3,-0.4 0.866 113.1 49.2 -63.0 -36.2 4.2 33.3 7.8 20 20 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.5 0.947 107.4 52.6 -65.4 -50.4 2.1 30.3 6.7 21 21 A E H < S+ 0 0 71 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.641 114.1 46.5 -56.8 -17.3 -0.5 30.8 9.4 22 22 A Q H < S+ 0 0 115 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.775 112.0 45.5 -99.3 -37.6 -0.8 34.4 8.2 23 23 A E H < S+ 0 0 109 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.778 135.8 14.4 -73.0 -28.1 -1.0 33.9 4.4 24 24 A T S < S- 0 0 58 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.607 88.4-125.4-125.6 -24.4 -3.5 31.1 4.9 25 25 A G + 0 0 62 -4,-0.5 2,-0.5 -5,-0.5 -4,-0.2 0.470 65.7 135.1 78.8 2.8 -5.0 31.0 8.4 26 26 A I - 0 0 25 -6,-0.5 -1,-0.3 -25,-0.0 2,-0.2 -0.752 52.3-132.8 -88.6 123.2 -4.0 27.4 8.8 27 27 A K - 0 0 31 -2,-0.5 -25,-2.6 -3,-0.1 2,-0.5 -0.484 14.8-152.7 -77.7 145.0 -2.3 26.6 12.1 28 28 A V E -a 2 0A 14 -27,-0.2 2,-0.6 -2,-0.2 -25,-0.2 -0.975 4.0-159.9-118.7 129.7 0.9 24.7 12.3 29 29 A T E -a 3 0A 76 -27,-2.5 -25,-3.1 -2,-0.5 2,-0.5 -0.965 14.9-150.7-106.1 120.4 1.9 22.6 15.3 30 30 A L E -a 4 0A 43 -2,-0.6 2,-0.6 -27,-0.2 -25,-0.2 -0.795 12.2-170.5 -93.0 129.1 5.6 21.9 15.3 31 31 A N E -a 5 0A 69 -27,-2.8 -25,-2.8 -2,-0.5 2,-0.2 -0.950 23.7-159.2-116.0 103.6 6.9 18.8 16.9 32 32 A S E +a 6 0A 71 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.567 28.9 117.2 -97.5 149.6 10.6 19.3 17.0 33 33 A G - 0 0 31 -27,-2.3 2,-0.3 -2,-0.2 -2,-0.0 -0.956 66.3 -45.7-177.2-172.6 13.5 16.8 17.3 34 34 A K > - 0 0 163 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.638 50.1-129.2 -75.8 136.9 16.6 15.5 15.5 35 35 A S H > S+ 0 0 3 -28,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.860 107.3 52.1 -57.7 -40.6 15.8 14.7 11.9 36 36 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 113.1 45.0 -64.6 -39.7 17.3 11.2 12.1 37 37 A Q H > S+ 0 0 99 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.902 113.4 49.8 -65.4 -45.0 15.1 10.4 15.1 38 38 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.885 109.6 51.4 -63.1 -39.9 12.0 12.0 13.5 39 39 A A H X S+ 0 0 9 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.917 110.1 49.6 -63.6 -42.4 12.6 10.0 10.4 40 40 A G H X S+ 0 0 39 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.906 111.3 49.5 -60.2 -41.4 12.8 6.8 12.4 41 41 A Q H X S+ 0 0 58 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.898 108.8 51.8 -66.6 -40.9 9.6 7.8 14.2 42 42 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.866 111.2 48.5 -63.2 -36.7 7.8 8.4 10.9 43 43 A K H < S+ 0 0 52 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.910 113.5 45.9 -69.3 -42.5 8.9 5.0 9.7 44 44 A E H < S+ 0 0 175 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 114.1 47.9 -67.4 -41.1 7.8 3.3 12.8 45 45 A E H >< S+ 0 0 49 -4,-2.8 3,-2.3 1,-0.2 -1,-0.2 0.865 84.9 159.7 -69.6 -34.6 4.5 5.1 12.9 46 46 A G G >< + 0 0 14 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 -0.220 69.5 2.6 53.8-127.5 3.9 4.3 9.2 47 47 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.559 134.1 57.8 -70.8 -5.5 0.3 4.5 8.1 48 48 A K G < S+ 0 0 164 -3,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 0.280 74.4 128.9-104.4 7.4 -0.6 5.7 11.7 49 49 A T < - 0 0 13 -3,-1.7 -7,-0.1 -7,-0.2 -8,-0.0 -0.374 50.1-153.0 -65.1 141.0 1.6 8.8 11.9 50 50 A P + 0 0 73 0, 0.0 -47,-0.3 0, 0.0 2,-0.2 0.472 63.2 112.7 -84.5 -4.0 -0.1 12.0 12.9 51 51 A A - 0 0 0 1,-0.2 -47,-0.2 -49,-0.1 3,-0.1 -0.500 41.1-179.8 -72.2 135.0 2.6 14.0 11.0 52 52 A D S S+ 0 0 17 -49,-2.9 181,-2.2 1,-0.3 2,-0.3 0.785 72.7 16.3 -93.0 -40.6 1.4 15.9 7.9 53 53 A V E -bC 4 232A 0 -50,-1.6 -48,-2.6 179,-0.3 2,-0.5 -0.972 60.4-147.9-135.7 146.1 4.8 17.3 6.9 54 54 A F E -bC 5 231A 0 177,-2.7 177,-1.8 -2,-0.3 2,-0.5 -0.987 17.8-169.5-114.5 117.5 8.4 16.5 7.8 55 55 A Y E +bC 6 230A 5 -50,-2.9 -48,-3.1 -2,-0.5 -47,-0.7 -0.954 16.2 175.5-110.7 122.9 10.5 19.7 7.7 56 56 A T E - C 0 229A 0 173,-2.7 173,-2.4 -2,-0.5 3,-0.1 -0.910 44.7-141.4-134.3 154.3 14.3 19.0 7.9 57 57 A E S S+ 0 0 56 -2,-0.3 2,-0.4 171,-0.3 44,-0.1 0.478 99.6 49.9 -81.2 -8.4 17.6 20.7 7.8 58 58 A Q > - 0 0 27 171,-0.1 3,-2.3 1,-0.1 170,-0.2 -0.856 61.4-165.2-143.2 102.0 19.0 17.7 5.9 59 59 A T G > S+ 0 0 10 168,-2.8 3,-1.9 -2,-0.4 4,-0.4 0.707 85.9 77.7 -61.2 -20.9 17.2 16.3 2.8 60 60 A A G > S+ 0 0 10 167,-0.3 3,-1.2 1,-0.3 4,-0.4 0.796 82.8 66.3 -56.0 -28.7 19.4 13.2 3.1 61 61 A T G <> S+ 0 0 19 -3,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.639 89.9 65.5 -72.9 -9.5 17.0 12.2 5.9 62 62 A F H <> S+ 0 0 0 -3,-1.9 4,-2.8 -4,-0.2 5,-0.2 0.724 81.4 79.5 -77.6 -23.4 14.2 11.8 3.4 63 63 A A H <> S+ 0 0 27 -3,-1.2 4,-2.6 -4,-0.4 5,-0.2 0.904 92.3 46.4 -57.0 -47.1 15.9 8.9 1.6 64 64 A D H > S+ 0 0 121 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.866 115.9 47.9 -61.0 -39.0 14.9 6.2 4.1 65 65 A L H <>S+ 0 0 1 -4,-0.5 5,-2.7 2,-0.2 6,-0.4 0.907 112.0 47.1 -70.9 -42.7 11.3 7.5 4.1 66 66 A S H ><5S+ 0 0 11 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.917 110.9 53.7 -62.1 -41.4 11.0 7.7 0.4 67 67 A E H 3<5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 107.2 51.5 -67.6 -26.3 12.5 4.2 0.1 68 68 A A T 3<5S- 0 0 62 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.352 116.7-115.8 -88.8 3.5 9.8 3.0 2.5 69 69 A G T < 5S+ 0 0 20 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.769 77.2 129.1 70.1 28.8 7.1 4.6 0.3 70 70 A L < + 0 0 33 -5,-2.7 164,-2.7 -6,-0.1 165,-0.5 0.476 46.0 80.4 -98.5 -3.6 6.2 7.0 3.1 71 71 A L B -F 233 0B 4 -6,-0.4 162,-0.2 162,-0.3 24,-0.1 -0.853 69.3-135.0-111.3 139.7 6.3 10.3 1.3 72 72 A A - 0 0 2 160,-2.8 160,-0.5 -2,-0.4 162,-0.1 -0.566 33.1 -98.8 -81.5 153.1 3.6 11.8 -1.0 73 73 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 21,-0.3 -0.381 34.1-141.7 -65.3 151.7 4.5 13.3 -4.3 74 74 A I - 0 0 9 19,-2.9 21,-0.1 21,-0.1 5,-0.0 -0.824 35.4 -82.7-109.1 152.5 4.8 17.1 -4.4 75 75 A S > - 0 0 52 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 -0.295 29.7-133.7 -56.1 133.4 3.5 19.2 -7.3 76 76 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 108.7 57.2 -49.7 -41.2 6.0 19.4 -10.2 77 77 A Q H > S+ 0 0 130 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.862 107.6 46.2 -66.6 -35.4 5.3 23.1 -10.3 78 78 A T H >4 S+ 0 0 13 -3,-0.3 3,-1.2 2,-0.2 4,-0.5 0.934 109.7 53.2 -70.1 -46.9 6.4 23.4 -6.7 79 79 A I H >< S+ 0 0 15 -4,-2.5 3,-1.2 1,-0.3 4,-0.4 0.882 104.6 57.6 -55.7 -38.3 9.5 21.4 -7.1 80 80 A Q H >< S+ 0 0 94 -4,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.741 88.3 74.7 -68.2 -22.2 10.5 23.6 -10.0 81 81 A Q T << S+ 0 0 83 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.777 112.3 24.8 -61.2 -28.5 10.4 26.7 -7.8 82 82 A T T < S+ 0 0 2 -3,-1.2 2,-2.0 -4,-0.5 -1,-0.2 0.283 87.8 116.4-117.6 11.3 13.7 25.7 -6.1 83 83 A A < + 0 0 29 -3,-0.7 3,-0.1 -4,-0.4 -1,-0.1 -0.281 37.1 158.7 -85.2 56.6 15.2 23.5 -8.8 84 84 A Q > - 0 0 53 -2,-2.0 3,-2.3 183,-0.3 -2,-0.1 -0.388 58.9 -79.8 -67.0 154.0 18.3 25.6 -9.5 85 85 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.365 122.8 27.1 -56.3 132.8 21.1 23.7 -11.2 86 86 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.1 0.073 89.0 124.2 101.0 -23.1 23.0 21.8 -8.4 87 87 A V < - 0 0 11 -3,-2.3 -1,-0.3 1,-0.1 200,-0.0 -0.546 67.7-113.0 -77.5 129.0 19.9 21.5 -6.2 88 88 A P - 0 0 44 0, 0.0 9,-0.5 0, 0.0 2,-0.4 -0.355 31.6-156.5 -62.0 138.5 19.1 17.9 -5.2 89 89 A L - 0 0 97 7,-0.1 7,-0.1 -6,-0.1 3,-0.0 -0.936 20.0-117.3-116.6 139.4 15.9 16.5 -6.6 90 90 A A > - 0 0 11 5,-0.6 3,-1.8 -2,-0.4 5,-0.1 -0.629 18.7-145.3 -69.4 121.4 13.8 13.7 -5.3 91 91 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.844 103.7 43.4 -56.7 -33.9 13.7 11.0 -8.0 92 92 A K T 3 S- 0 0 110 -20,-0.0 -2,-0.1 -3,-0.0 0, 0.0 0.246 112.0-121.3 -93.9 8.7 10.2 10.1 -6.9 93 93 A K S < S+ 0 0 32 -3,-1.8 -19,-2.9 -20,-0.1 -14,-0.1 0.819 76.4 127.8 57.5 33.8 9.2 13.8 -6.6 94 94 A D + 0 0 3 -21,-0.3 2,-0.3 137,-0.1 138,-0.2 0.117 63.9 25.7-116.6 18.5 8.4 13.1 -3.0 95 95 A W - 0 0 25 136,-0.1 -5,-0.6 -5,-0.1 2,-0.4 -0.940 67.6-140.3-163.3 168.5 10.4 15.8 -1.2 96 96 A I E -D 230 0A 3 134,-2.3 134,-2.1 -2,-0.3 2,-0.3 -0.999 11.6-132.3-139.9 134.5 11.7 19.2 -2.0 97 97 A A E +D 229 0A 2 -9,-0.5 132,-0.3 -2,-0.4 3,-0.1 -0.695 28.0 171.5 -79.9 137.3 14.9 21.1 -1.2 98 98 A L E - 0 0 6 130,-3.0 169,-1.4 1,-0.4 170,-0.3 0.693 54.0 -5.8-121.0 -34.6 14.3 24.6 0.1 99 99 A S E -DE 228 266A 1 129,-1.1 129,-2.4 167,-0.2 -1,-0.4 -0.957 59.3-136.9-159.4 171.1 17.5 26.2 1.3 100 100 A G E -DE 227 265A 0 165,-1.6 165,-2.8 -2,-0.3 2,-0.4 -0.957 6.7-149.6-141.5 157.2 21.1 25.5 2.0 101 101 A R E -D 226 0A 25 125,-2.4 125,-2.7 -2,-0.3 2,-0.4 -0.974 26.1-147.8-121.2 141.9 24.0 25.9 4.4 102 102 A S E -D 225 0A 1 -2,-0.4 92,-2.7 123,-0.2 123,-0.2 -0.878 13.4-124.3-116.6 141.1 27.5 26.1 3.0 103 103 A R E +G 193 0C 10 121,-2.5 2,-0.3 -2,-0.4 90,-0.2 -0.437 43.8 170.4 -61.2 152.7 30.9 25.1 4.3 104 104 A V E -G 192 0C 7 88,-2.3 88,-2.1 -2,-0.1 2,-0.5 -0.978 37.1-119.1-158.5 163.7 33.3 28.1 4.2 105 105 A V E -GH 191 214C 5 109,-2.0 109,-3.0 -2,-0.3 2,-0.4 -0.972 26.0-159.0-107.9 123.3 36.7 29.3 5.3 106 106 A V E -GH 190 213C 0 84,-2.8 84,-2.4 -2,-0.5 2,-0.3 -0.836 17.3-179.1 -96.5 140.5 36.5 32.2 7.7 107 107 A Y E -GH 189 212C 14 105,-2.7 105,-2.5 -2,-0.4 2,-0.8 -0.985 36.2-110.6-142.8 153.8 39.7 34.3 7.9 108 108 A D E >> - H 0 211C 0 80,-2.8 4,-2.4 -2,-0.3 3,-1.9 -0.751 27.0-157.5 -84.6 108.0 41.1 37.3 9.8 109 109 A H T 34 S+ 0 0 80 101,-2.6 -1,-0.2 -2,-0.8 102,-0.1 0.583 88.8 63.1 -70.7 -10.0 41.3 39.9 7.0 110 110 A T T 34 S+ 0 0 84 100,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.559 116.7 29.5 -83.6 -11.5 44.0 41.8 9.0 111 111 A K T <4 S+ 0 0 124 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.663 127.9 26.9-115.5 -31.3 46.3 38.8 8.7 112 112 A L < - 0 0 28 -4,-2.4 -1,-0.3 76,-0.2 2,-0.2 -0.935 61.2-157.2-131.6 154.6 45.3 37.1 5.5 113 113 A S > - 0 0 56 -2,-0.3 3,-1.6 -3,-0.1 4,-0.5 -0.742 42.3 -94.4-120.7 177.2 43.8 38.2 2.2 114 114 A E G > S+ 0 0 121 1,-0.3 3,-1.1 -2,-0.2 -1,-0.0 0.808 122.9 63.9 -61.3 -28.5 41.9 36.2 -0.4 115 115 A K G 3 S+ 0 0 198 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.722 99.3 53.8 -70.7 -19.4 45.1 35.8 -2.3 116 116 A D G < S+ 0 0 76 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.559 90.5 102.1 -83.1 -12.8 46.5 33.7 0.6 117 117 A M S < S- 0 0 15 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.0 -0.368 74.7-118.7 -76.6 153.1 43.5 31.4 0.6 118 118 A E - 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0 0 31 -4,-1.3 4,-2.0 -5,-0.7 3,-0.3 -0.007 37.0 -78.0 95.7 157.5 38.2 8.6 -2.2 155 155 A D H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.749 124.1 58.6 -62.5 -33.3 38.9 7.5 1.4 156 156 A K H > S+ 0 0 187 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 108.5 45.6 -67.2 -41.4 42.6 7.8 1.2 157 157 A V H > S+ 0 0 50 -4,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.916 114.4 49.2 -64.9 -43.2 42.3 11.5 0.3 158 158 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.930 113.0 46.4 -62.7 -44.6 39.8 12.0 3.0 159 159 A L H X S+ 0 0 27 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.917 111.1 52.1 -64.8 -42.1 42.0 10.3 5.6 160 160 A N H X S+ 0 0 119 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.882 108.8 51.1 -60.5 -39.1 45.0 12.2 4.5 161 161 A W H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.935 110.8 48.4 -62.4 -46.6 43.0 15.5 4.9 162 162 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.912 111.8 48.2 -62.0 -43.1 42.0 14.4 8.4 163 163 A K H X S+ 0 0 113 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.867 109.9 54.3 -64.5 -34.8 45.6 13.5 9.3 164 164 A G H X S+ 0 0 10 -4,-2.1 4,-2.8 -5,-0.2 5,-0.4 0.870 108.6 47.6 -65.7 -38.9 46.7 16.8 7.9 165 165 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.895 109.5 54.3 -67.4 -39.4 44.2 18.7 10.1 166 166 A K H < S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.940 117.9 35.7 -57.2 -46.2 45.4 16.7 13.1 167 167 A E H < S+ 0 0 138 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.885 133.7 22.3 -74.9 -41.0 49.0 17.7 12.3 168 168 A N H < S+ 0 0 5 -4,-2.8 -37,-2.8 -5,-0.2 -35,-0.6 0.669 105.3 80.0-106.2 -23.2 48.5 21.3 11.1 169 169 A G E < -i 133 0C 17 -4,-2.4 2,-0.5 -5,-0.4 -35,-0.2 -0.352 68.0-126.2 -91.4 168.9 45.2 22.5 12.5 170 170 A K E -i 134 0C 83 -37,-2.6 -35,-2.1 -2,-0.1 2,-0.4 -0.971 29.6-133.6-110.8 122.3 43.9 23.9 15.7 171 171 A L E -i 135 0C 99 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.628 21.6-170.7 -80.2 132.6 40.9 22.0 17.1 172 172 A Y - 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