==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 30-JAN-13 3W5I . COMPND 2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLIONELLA CAPSIFERRIFORMANS; . AUTHOR C.N.DESHPANDE,A.P.MCGRATH,M.JORMAKKA . 391 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.9 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 . 3 0.8 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 . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 0 5 0 0 2 2 2 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 3 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 PARALLEL BRIDGES PER LADDER . 0 2 1 1 0 0 2 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 . 2 0 0 0 0 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 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 G 0 0 101 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0-169.2 -2.1 28.3 20.7 2 0 A Q - 0 0 114 2,-0.0 49,-3.1 50,-0.0 2,-0.4 -0.697 360.0-160.5-102.3 151.2 1.2 28.8 22.5 3 1 A F E +a 51 0A 98 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.996 24.6 162.1-128.5 124.4 2.5 31.6 24.7 4 2 A K E -a 52 0A 16 47,-1.6 49,-2.7 -2,-0.4 2,-0.4 -0.930 27.1-133.4-141.1 162.0 6.2 31.8 25.3 5 3 A R E -a 53 0A 74 -2,-0.3 79,-1.6 47,-0.2 78,-0.9 -0.966 6.6-161.5-125.1 136.5 8.9 34.3 26.5 6 4 A I E -ab 54 84A 3 47,-2.8 49,-2.5 -2,-0.4 2,-0.6 -0.955 9.9-153.0-109.9 128.4 12.3 35.2 25.1 7 5 A A E -ab 55 85A 0 77,-2.5 79,-2.8 -2,-0.5 2,-0.6 -0.938 11.5-144.7 -99.6 119.5 14.8 37.0 27.4 8 6 A L E +ab 56 86A 0 47,-2.7 49,-1.6 -2,-0.6 2,-0.4 -0.793 31.8 177.8 -82.2 115.9 17.2 39.1 25.4 9 7 A L E + b 0 87A 1 77,-2.6 79,-2.8 -2,-0.6 2,-0.3 -0.947 15.2 105.7-128.4 142.5 20.5 38.8 27.3 10 8 A G E - b 0 88A 0 -2,-0.4 50,-1.9 48,-0.2 79,-0.1 -0.972 63.4 -60.8 179.3-170.3 24.1 40.0 26.9 11 9 A M - 0 0 14 77,-0.5 3,-0.3 48,-0.3 5,-0.2 -0.414 69.5 -79.6 -81.6 166.4 26.8 42.4 28.1 12 10 A P S S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 48,-0.1 -0.209 107.1 21.0 -66.7 159.6 26.1 46.2 27.9 13 11 A N S S+ 0 0 156 1,-0.1 -2,-0.0 -3,-0.1 77,-0.0 0.888 80.8 127.7 53.3 51.1 26.5 48.3 24.7 14 12 A T S S- 0 0 2 -3,-0.3 -1,-0.1 74,-0.0 102,-0.1 0.207 87.1 -94.5-121.3 10.4 26.2 45.3 22.4 15 13 A G S > S+ 0 0 26 75,-0.1 4,-1.7 101,-0.1 5,-0.2 0.728 80.2 139.3 79.6 26.5 23.5 46.6 20.0 16 14 A K H > + 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.916 64.7 51.8 -72.1 -46.3 20.7 44.9 22.1 17 15 A S H > S+ 0 0 67 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.919 108.3 51.6 -53.8 -49.9 18.1 47.7 21.9 18 16 A T H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 112.7 44.4 -59.5 -48.7 18.4 48.0 18.1 19 17 A L H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.912 114.5 52.0 -58.9 -42.4 17.8 44.2 17.7 20 18 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.939 110.2 46.5 -57.9 -51.1 15.0 44.5 20.3 21 19 A N H <>S+ 0 0 80 -4,-3.4 5,-1.9 1,-0.2 6,-0.2 0.864 113.2 50.0 -63.4 -38.4 13.3 47.3 18.5 22 20 A R H ><5S+ 0 0 63 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.929 112.0 47.8 -61.5 -45.7 13.6 45.5 15.1 23 21 A M H 3<5S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.855 119.0 38.6 -68.7 -35.1 12.1 42.3 16.6 24 22 A T T ><5S- 0 0 12 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.3 0.184 107.7-122.8 -99.2 13.3 9.2 44.1 18.3 25 23 A G T < 5 - 0 0 66 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.783 63.8 -64.8 51.6 34.9 8.6 46.5 15.4 26 24 A G T 3 - 0 0 23 5,-0.5 3,-1.3 -2,-0.4 2,-0.1 -0.912 25.5-102.2-127.2 147.6 7.3 42.2 36.7 34 32 A P T 3 S+ 0 0 80 0, 0.0 45,-0.1 0, 0.0 3,-0.1 -0.434 105.4 26.0 -67.6 138.0 7.2 39.8 39.7 35 33 A G T 3 S+ 0 0 44 1,-0.2 2,-0.3 -2,-0.1 41,-0.1 0.165 116.3 65.9 96.2 -16.5 10.5 39.5 41.6 36 34 A I < - 0 0 19 -3,-1.3 -3,-0.2 2,-0.1 -1,-0.2 -0.920 57.9-158.2-134.0 160.4 11.8 43.0 40.5 37 35 A T + 0 0 138 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.0 0.619 69.1 88.2-112.3 -23.7 10.8 46.6 41.1 38 36 A V S S- 0 0 69 1,-0.1 -5,-0.5 -6,-0.0 2,-0.3 -0.309 81.2-111.5 -68.2 160.2 12.4 48.3 38.1 39 37 A E E -C 32 0A 103 -7,-0.1 2,-0.3 -9,-0.0 -7,-0.2 -0.769 29.9-159.0 -96.6 144.5 10.5 48.5 34.8 40 38 A L E -C 31 0A 10 -9,-1.9 -9,-1.3 -2,-0.3 2,-0.5 -0.904 18.3-119.9-122.9 149.2 11.4 46.5 31.7 41 39 A L E +CD 30 56A 69 15,-0.5 15,-2.6 -2,-0.3 2,-0.3 -0.782 41.6 162.0 -84.7 125.9 10.7 47.0 28.0 42 40 A S E -CD 29 55A 12 -13,-2.0 -13,-2.3 -2,-0.5 2,-0.3 -0.969 18.6-163.9-139.0 159.3 8.9 44.0 26.4 43 41 A G E - D 0 54A 4 11,-2.1 11,-2.7 -2,-0.3 2,-0.4 -0.997 14.7-133.8-143.5 144.8 6.9 43.5 23.2 44 42 A K E - D 0 53A 129 -2,-0.3 2,-0.4 -17,-0.3 9,-0.2 -0.791 17.6-166.3-103.2 141.0 4.5 40.8 22.1 45 43 A I E - D 0 52A 43 7,-3.0 7,-2.5 -2,-0.4 2,-0.5 -0.996 12.3-144.2-129.7 130.7 4.6 39.2 18.7 46 44 A L E - D 0 51A 115 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.828 15.3-176.9 -90.8 125.5 2.0 37.0 17.0 47 45 A L E > - D 0 50A 80 3,-3.4 3,-1.9 -2,-0.5 2,-0.4 -0.912 67.9 -50.8-123.6 103.3 3.4 34.2 14.9 48 46 A G T 3 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.600 121.7 -26.9 66.4-121.2 0.5 32.3 13.3 49 47 A A T 3 S+ 0 0 83 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.155 125.1 93.1-104.3 16.1 -1.9 31.6 16.2 50 48 A D E < - D 0 47A 71 -3,-1.9 -3,-3.4 -49,-0.2 2,-0.4 -0.795 61.2-148.3-112.5 150.6 1.0 31.6 18.7 51 49 A M E -aD 3 46A 75 -49,-3.1 -47,-1.6 -2,-0.3 2,-0.4 -0.935 10.1-173.3-121.2 144.2 2.4 34.4 20.8 52 50 A V E -aD 4 45A 6 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.5 -0.995 11.5-152.6-129.5 138.1 5.9 35.2 22.0 53 51 A E E -aD 5 44A 11 -49,-2.7 -47,-2.8 -2,-0.4 2,-0.5 -0.964 10.4-158.4-108.2 127.6 6.8 38.0 24.4 54 52 A I E -aD 6 43A 5 -11,-2.7 -11,-2.1 -2,-0.5 2,-0.4 -0.912 6.0-164.9-107.8 128.7 10.4 39.4 24.1 55 53 A I E -aD 7 42A 0 -49,-2.5 -47,-2.7 -2,-0.5 2,-1.0 -0.970 15.4-140.4-117.9 127.6 11.9 41.2 27.1 56 54 A D E -aD 8 41A 21 -15,-2.6 -15,-0.5 -2,-0.4 -47,-0.1 -0.759 22.5-163.5 -87.2 101.5 15.0 43.3 26.9 57 55 A L - 0 0 0 -49,-1.6 -47,-0.1 -2,-1.0 3,-0.1 -0.644 29.6 -97.5 -84.7 142.5 17.0 42.6 30.1 58 56 A P - 0 0 35 0, 0.0 -48,-0.2 0, 0.0 -1,-0.1 -0.252 45.1 -95.5 -63.7 147.8 19.7 45.1 31.0 59 57 A G - 0 0 11 -48,-0.1 2,-0.3 -50,-0.1 -48,-0.3 -0.309 49.2-178.2 -63.0 141.3 23.3 44.3 30.0 60 58 A I - 0 0 3 -50,-1.9 3,-0.1 -3,-0.1 40,-0.1 -0.929 30.8-148.1-142.8 162.4 25.4 42.6 32.7 61 59 A Y S S+ 0 0 137 1,-0.3 2,-0.4 -2,-0.3 199,-0.1 0.713 85.0 25.0-105.4 -30.0 29.0 41.3 33.2 62 60 A D > - 0 0 0 1,-0.1 3,-1.4 197,-0.1 -1,-0.3 -0.986 57.0-151.2-142.6 126.1 28.5 38.4 35.6 63 61 A L T 3 S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.3 196,-0.1 0.754 105.5 44.5 -65.5 -24.0 25.4 36.2 36.0 64 62 A H T 3 S+ 0 0 32 194,-0.2 -1,-0.3 -3,-0.1 194,-0.1 -0.012 94.8 108.4-110.7 25.9 26.6 35.6 39.6 65 63 A G < - 0 0 0 -3,-1.4 191,-0.1 193,-0.1 -5,-0.0 -0.357 65.7-132.0 -95.2-179.4 27.5 39.2 40.4 66 64 A F + 0 0 21 -2,-0.1 227,-0.1 4,-0.1 -3,-0.0 0.171 56.0 126.2-129.2 19.7 25.8 41.7 42.6 67 65 A S S > S- 0 0 55 -5,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.300 76.5-104.0 -63.5 163.4 25.5 44.9 40.7 68 66 A D H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.919 122.5 48.3 -59.5 -45.7 21.9 46.2 40.5 69 67 A D H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 109.9 51.2 -61.5 -42.6 21.5 45.1 36.9 70 68 A E H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 110.6 49.3 -65.5 -40.5 22.9 41.6 37.7 71 69 A Q H X S+ 0 0 46 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.896 111.1 50.9 -61.8 -41.5 20.4 41.2 40.6 72 70 A V H X S+ 0 0 23 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.972 112.2 45.4 -60.3 -55.1 17.6 42.3 38.3 73 71 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 114.9 48.1 -54.8 -46.8 18.5 39.8 35.6 74 72 A R H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.899 112.4 47.4 -64.4 -43.7 18.9 37.0 38.1 75 73 A H H X S+ 0 0 38 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.892 113.1 50.1 -64.5 -39.8 15.6 37.7 39.9 76 74 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.906 113.0 45.5 -62.4 -44.7 13.8 37.9 36.5 77 75 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 114.5 48.9 -68.0 -40.2 15.3 34.6 35.4 78 76 A H H < S+ 0 0 52 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.943 123.8 29.5 -62.6 -50.1 14.5 33.0 38.8 79 77 A D H < S+ 0 0 72 -4,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.841 131.8 33.2 -82.5 -35.8 10.9 34.1 38.9 80 78 A N S < S- 0 0 16 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.585 77.7-164.7-122.8 65.7 10.1 34.3 35.2 81 79 A V - 0 0 25 -3,-0.4 -76,-0.1 -2,-0.3 -4,-0.1 -0.321 20.5-137.9 -57.0 101.4 12.1 31.5 33.7 82 80 A P - 0 0 2 0, 0.0 28,-0.3 0, 0.0 -76,-0.2 -0.314 7.7-129.6 -69.3 150.1 12.0 32.4 30.0 83 81 A D S S+ 0 0 45 -78,-0.9 2,-0.3 1,-0.2 -77,-0.2 0.765 93.9 21.3 -65.1 -27.9 11.5 29.7 27.4 84 82 A L E -b 6 0A 0 -79,-1.6 -77,-2.5 25,-0.1 2,-0.7 -0.992 65.5-149.1-144.0 131.6 14.5 30.9 25.4 85 83 A A E -be 7 111A 0 25,-3.2 27,-2.0 -2,-0.3 2,-0.9 -0.929 14.6-158.7 -96.0 115.6 17.5 33.0 26.3 86 84 A L E -be 8 112A 0 -79,-2.8 -77,-2.6 -2,-0.7 2,-0.6 -0.863 12.7-161.0 -95.3 101.6 18.5 35.0 23.2 87 85 A V E -be 9 113A 0 25,-2.3 27,-2.5 -2,-0.9 2,-0.6 -0.778 3.9-161.0 -95.3 116.6 22.1 35.8 23.9 88 86 A I E -be 10 114A 0 -79,-2.8 -77,-0.5 -2,-0.6 2,-0.4 -0.861 9.8-174.1 -99.2 117.6 23.6 38.7 21.9 89 87 A L E - e 0 115A 0 25,-2.4 27,-3.4 -2,-0.6 2,-0.8 -0.917 28.7-120.9-110.3 143.9 27.4 38.9 21.8 90 88 A N E > - e 0 116A 9 -2,-0.4 3,-1.7 25,-0.2 7,-0.2 -0.709 18.3-152.7 -78.6 107.2 29.5 41.6 20.2 91 89 A A G > S+ 0 0 1 25,-3.0 3,-1.2 -2,-0.8 -1,-0.2 0.862 95.0 55.7 -52.0 -37.9 31.6 39.9 17.5 92 90 A T G 3 S+ 0 0 24 24,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.704 115.8 37.0 -70.2 -20.2 34.3 42.6 17.8 93 91 A Q G X> S+ 0 0 97 -3,-1.7 4,-1.7 1,-0.1 3,-0.9 -0.067 77.1 134.7-118.9 34.8 34.6 41.9 21.6 94 92 A I H <> + 0 0 1 -3,-1.2 4,-1.3 1,-0.3 -1,-0.1 0.821 66.3 56.9 -54.4 -40.9 34.1 38.1 21.4 95 93 A E H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.861 112.2 41.3 -63.7 -35.9 37.0 37.2 23.8 96 94 A R H <4 S+ 0 0 56 -3,-0.9 3,-0.5 1,-0.2 -1,-0.2 0.861 116.5 47.0 -76.9 -36.1 35.6 39.3 26.6 97 95 A Q H >X S+ 0 0 15 -4,-1.7 4,-0.9 -7,-0.2 3,-0.7 0.521 83.8 85.5 -95.4 -7.8 31.9 38.4 26.3 98 96 A M H 3X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.800 78.4 71.5 -61.5 -30.9 31.9 34.6 26.0 99 97 A S H 3> S+ 0 0 0 -3,-0.5 4,-1.9 -4,-0.2 -1,-0.2 0.865 94.9 50.7 -57.6 -40.9 31.9 34.2 29.8 100 98 A L H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.949 110.1 50.4 -63.7 -46.1 28.3 35.4 30.1 101 99 A L H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.927 111.4 48.1 -53.4 -49.6 27.2 32.9 27.5 102 100 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.821 108.6 53.6 -66.5 -34.0 29.0 30.0 29.2 103 101 A Q H X S+ 0 0 9 -4,-1.9 4,-0.7 -5,-0.2 3,-0.2 0.930 110.5 47.0 -63.5 -45.4 27.5 31.0 32.6 104 102 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.0 1,-0.2 3,-0.9 0.882 107.9 57.0 -62.3 -39.2 24.0 30.9 31.1 105 103 A K H ><5S+ 0 0 50 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.843 98.3 61.3 -58.8 -35.7 24.9 27.5 29.5 106 104 A Q H 3<5S+ 0 0 55 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 95.0 61.9 -68.0 -23.4 25.7 26.1 32.9 107 105 A L T <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.589 110.2-123.7 -72.9 -8.5 22.1 26.8 34.0 108 106 A N T < 5 + 0 0 104 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.808 54.7 161.5 62.8 33.3 20.9 24.3 31.3 109 107 A M < - 0 0 17 -5,-1.0 2,-0.6 60,-0.1 -1,-0.2 -0.354 51.5-101.0 -74.2 160.6 18.7 27.0 29.7 110 108 A N - 0 0 40 -28,-0.3 -25,-3.2 -27,-0.1 2,-0.4 -0.784 56.9-178.7 -80.5 117.8 17.3 26.9 26.2 111 109 A I E -e 85 0A 8 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.940 29.4-176.1-130.0 142.8 19.7 29.3 24.3 112 110 A V E -e 86 0A 0 -27,-2.0 -25,-2.3 -2,-0.4 2,-0.5 -0.989 22.2-145.8-129.4 139.0 20.3 30.7 20.9 113 111 A V E -ef 87 141A 0 27,-2.8 29,-2.7 -2,-0.3 2,-0.5 -0.893 9.8-166.8-111.9 127.0 23.3 32.9 20.2 114 112 A L E -ef 88 142A 4 -27,-2.5 -25,-2.4 -2,-0.5 2,-0.9 -0.950 12.1-150.0-111.3 121.1 23.5 35.9 17.9 115 113 A L E -ef 89 143A 0 27,-3.8 29,-3.1 -2,-0.5 3,-0.3 -0.817 23.6-156.8 -92.4 106.9 26.9 37.2 17.0 116 114 A N E +e 90 0A 26 -27,-3.4 -25,-3.0 -2,-0.9 -24,-0.3 -0.408 63.0 23.7 -87.4 158.6 26.3 40.9 16.4 117 115 A M > + 0 0 71 27,-0.2 4,-1.5 -27,-0.2 -1,-0.2 0.907 66.6 159.6 55.6 47.8 28.5 43.4 14.4 118 116 A S H > S+ 0 0 21 26,-2.4 4,-1.3 -3,-0.3 -1,-0.1 0.821 70.6 51.0 -68.8 -32.5 30.0 40.6 12.2 119 117 A D H >> S+ 0 0 82 25,-0.3 4,-1.5 2,-0.2 3,-0.6 0.967 108.4 49.0 -69.0 -55.5 31.0 43.1 9.5 120 118 A E H 3> S+ 0 0 51 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.819 110.1 54.3 -52.8 -35.2 32.8 45.6 11.8 121 119 A A H ><>S+ 0 0 2 -4,-1.5 5,-2.5 1,-0.2 3,-1.0 0.859 101.3 57.5 -67.3 -38.4 34.6 42.6 13.3 122 120 A K H X<5S+ 0 0 63 -4,-1.3 3,-2.2 -3,-0.6 -2,-0.2 0.864 97.7 63.1 -58.7 -35.6 35.8 41.5 9.8 123 121 A Q H 3<5S+ 0 0 91 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.746 103.9 46.9 -63.0 -25.8 37.4 45.0 9.5 124 122 A Y T <<5S- 0 0 166 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.225 123.5-108.3 -92.5 11.8 39.7 44.1 12.4 125 123 A G T < 5 + 0 0 37 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.631 69.2 151.9 67.5 15.3 40.4 40.7 10.7 126 124 A I < - 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0 0 17 -5,-1.2 2,-0.6 62,-0.1 -1,-0.2 -0.347 50.8-107.4 -66.5 151.6 38.7 31.1 53.2 304 108 B N - 0 0 51 -28,-0.4 -25,-3.0 -2,-0.1 2,-0.3 -0.797 54.3-171.5 -78.2 122.1 40.1 32.0 56.6 305 109 B I E -m 279 0D 7 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.919 33.3-173.9-128.0 144.3 39.2 35.8 56.8 306 110 B V E -m 280 0D 0 -27,-2.0 -25,-2.6 -2,-0.3 2,-0.5 -0.998 24.4-145.9-124.4 135.3 39.7 38.9 58.9 307 111 B V E -mn 281 335D 0 27,-3.1 29,-2.3 -2,-0.4 2,-0.5 -0.873 11.1-168.6-102.4 132.0 37.7 42.0 57.9 308 112 B L E -mn 282 336D 3 -27,-2.8 -25,-2.5 -2,-0.5 2,-0.9 -0.986 10.8-153.0-114.8 126.7 39.0 45.6 58.2 309 113 B L E -mn 283 337D 0 27,-3.2 29,-2.7 -2,-0.5 3,-0.4 -0.827 22.6-169.1 -99.0 97.2 36.5 48.4 57.8 310 114 B N E +m 284 0D 17 -27,-2.4 -25,-2.8 -2,-0.9 -24,-0.2 -0.225 62.3 37.6 -80.9 171.2 38.7 51.3 56.6 311 115 B M > + 0 0 41 -27,-0.2 4,-2.5 -26,-0.1 28,-0.2 0.830 69.6 153.9 55.4 34.5 37.6 55.0 56.3 312 116 B S H > + 0 0 23 26,-2.5 4,-2.1 -3,-0.4 27,-0.2 0.817 68.2 49.2 -63.8 -32.0 35.6 54.6 59.5 313 117 B D H > S+ 0 0 83 2,-0.2 4,-2.7 25,-0.2 -1,-0.2 0.887 110.7 50.8 -75.9 -38.9 35.8 58.3 60.4 314 118 B E H > S+ 0 0 75 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.932 110.7 48.9 -59.4 -47.5 34.7 59.3 56.9 315 119 B A H ><>S+ 0 0 3 -4,-2.5 5,-2.6 2,-0.2 3,-0.6 0.946 111.8 49.1 -57.7 -46.9 31.7 56.9 57.2 316 120 B K H ><5S+ 0 0 134 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.909 106.0 57.8 -59.8 -43.0 30.8 58.4 60.6 317 121 B Q H 3<5S+ 0 0 141 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.854 105.6 49.3 -55.4 -36.0 31.1 61.8 59.2 318 122 B Y T <<5S- 0 0 127 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.352 124.5-104.3 -86.0 6.9 28.4 60.9 56.6 319 123 B G T < 5S+ 0 0 38 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.653 73.0 145.7 79.1 16.5 26.1 59.5 59.4 320 124 B I < - 0 0 18 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.790 30.0-165.7 -86.9 125.3 26.9 55.9 58.5 321 125 B T E -H 193 0C 74 -128,-2.3 -128,-2.8 -2,-0.5 2,-0.5 -0.961 6.2-173.6-114.5 127.1 26.9 53.8 61.7 322 126 B I E -H 192 0C 18 -2,-0.5 2,-1.1 -130,-0.2 -130,-0.2 -0.985 17.1-152.6-123.1 122.6 28.4 50.3 61.7 323 127 B D > - 0 0 84 -132,-3.0 4,-2.4 -2,-0.5 5,-0.2 -0.790 16.2-176.0 -89.7 96.6 28.1 48.0 64.7 324 128 B S H > S+ 0 0 27 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.816 78.4 56.1 -70.5 -30.0 31.2 45.9 64.0 325 129 B R H > S+ 0 0 187 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 111.5 44.5 -63.2 -47.5 30.7 43.6 67.0 326 130 B K H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.932 113.8 48.7 -59.3 -50.8 27.2 42.7 65.6 327 131 B M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.927 112.6 49.4 -57.7 -45.1 28.5 42.3 62.0 328 132 B S H X>S+ 0 0 31 -4,-2.6 4,-2.5 1,-0.2 5,-1.2 0.895 110.3 50.3 -58.9 -44.9 31.3 40.1 63.3 329 133 B E H <5S+ 0 0 86 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.903 113.6 45.9 -59.2 -43.6 28.8 38.0 65.3 330 134 B L H <5S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.881 120.6 37.3 -71.1 -40.2 26.6 37.6 62.2 331 135 B L H <5S- 0 0 4 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.786 96.6-136.3 -74.8 -30.2 29.5 36.7 59.9 332 136 B Q T <5S+ 0 0 160 -4,-2.5 -3,-0.2 1,-0.3 -4,-0.1 0.884 70.9 113.2 61.6 42.1 31.4 34.7 62.4 333 137 B I S 0 0 68 0, 0.0 3,-1.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -71.5 45.5 55.7 62.1 342 148 B T T 3 + 0 0 108 1,-0.2 -3,-1.7 2,-0.1 0, 0.0 -0.311 360.0 30.2 -66.5 147.7 43.3 54.4 64.9 343 149 B G T 3> S+ 0 0 6 -5,-0.2 4,-1.8 -2,-0.0 -1,-0.2 0.303 83.6 113.5 89.4 -6.1 42.6 50.6 65.0 344 150 B Y H <> S+ 0 0 19 -3,-1.1 4,-2.3 2,-0.2 5,-0.2 0.923 76.9 43.3 -67.4 -48.6 45.9 49.6 63.4 345 151 B Q H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 114.2 51.3 -63.6 -42.0 47.5 47.8 66.4 346 152 B E H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 109.6 52.8 -62.2 -35.2 44.2 46.0 67.2 347 153 B A H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 107.7 48.7 -64.8 -47.8 44.1 45.0 63.6 348 154 B L H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.868 109.9 53.2 -61.9 -37.7 47.6 43.4 63.6 349 155 B Q H X S+ 0 0 99 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.900 109.0 48.7 -61.6 -44.0 46.7 41.5 66.9 350 156 B A H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.925 109.9 52.0 -63.8 -43.3 43.6 40.1 65.2 351 157 B V H X S+ 0 0 2 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.903 108.6 51.8 -57.1 -44.6 45.7 39.1 62.1 352 158 B T H >< S+ 0 0 35 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.921 111.3 45.8 -58.9 -48.1 48.2 37.3 64.5 353 159 B R H >< S+ 0 0 136 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.873 104.8 61.9 -64.0 -36.3 45.4 35.3 66.2 354 160 B A H 3< S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.678 95.3 62.2 -66.6 -17.4 43.8 34.4 62.9 355 161 B L T << S+ 0 0 19 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.565 87.6 95.4 -85.3 -7.0 47.0 32.6 61.9 356 162 B R S < S+ 0 0 151 -3,-1.8 -3,-0.0 -4,-0.3 0, 0.0 -0.473 86.2 10.3 -77.3 152.9 46.6 30.1 64.8 357 163 B Y S S- 0 0 219 -2,-0.1 -1,-0.2 1,-0.1 -4,-0.0 0.894 80.2-145.7 49.1 61.9 44.9 26.7 64.5 358 164 B P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.315 22.5-110.5 -56.7 138.0 44.6 26.4 60.7 359 165 B T > - 0 0 96 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.573 31.0-118.9 -77.0 122.1 41.4 24.6 59.7 360 166 B P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.310 97.6 20.3 -57.0 144.1 42.1 21.2 58.2 361 167 B G T 3> S+ 0 0 23 1,-0.0 4,-2.1 3,-0.0 5,-0.2 0.393 86.2 124.7 81.1 -1.6 40.9 20.8 54.7 362 168 B M H <> S+ 0 0 29 -3,-1.7 4,-2.5 1,-0.2 5,-0.1 0.908 72.1 44.9 -61.5 -48.1 40.8 24.6 54.1 363 169 B A H > S+ 0 0 22 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 112.1 52.8 -64.6 -40.2 43.0 24.8 51.0 364 170 B E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 111.2 47.2 -63.3 -41.4 41.2 21.8 49.4 365 171 B N H X S+ 0 0 72 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.900 110.3 51.6 -65.6 -44.1 37.8 23.5 49.9 366 172 B V H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.946 111.5 47.4 -59.2 -47.5 39.0 26.8 48.5 367 173 B R H >X S+ 0 0 94 -4,-2.6 3,-1.1 1,-0.2 4,-0.7 0.922 110.8 52.2 -58.5 -47.2 40.4 25.1 45.3 368 174 B T H >< S+ 0 0 85 -4,-2.1 3,-1.3 1,-0.3 4,-0.5 0.927 107.2 51.7 -54.4 -50.5 37.2 23.2 44.9 369 175 B Q H 3< S+ 0 0 63 -4,-2.4 -1,-0.3 -68,-0.3 4,-0.2 0.618 111.7 48.9 -63.9 -15.5 35.0 26.3 45.1 370 176 B L H S+ 0 0 87 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.899 106.9 50.1 -65.1 -38.7 33.8 26.0 38.3 373 179 B D H > S+ 0 0 14 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.914 111.2 49.6 -59.2 -42.6 35.3 29.5 37.5 374 180 B E H X S+ 0 0 56 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.822 106.1 55.4 -68.4 -31.2 38.3 27.6 36.0 375 181 B H H X S+ 0 0 82 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.895 107.5 49.8 -65.4 -40.9 35.9 25.3 34.0 376 182 B I H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 112.3 47.9 -60.1 -46.9 34.4 28.5 32.4 377 183 B E H X S+ 0 0 21 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 111.1 49.9 -62.0 -45.0 37.9 29.8 31.6 378 184 B A H X S+ 0 0 43 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.883 110.7 50.2 -59.6 -43.6 39.0 26.4 30.1 379 185 B E H X S+ 0 0 24 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 109.7 51.4 -58.4 -45.9 35.8 26.4 27.9 380 186 B M H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.945 112.0 45.9 -57.4 -50.0 36.5 29.9 26.8 381 187 B V H X S+ 0 0 99 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.950 112.3 50.1 -58.9 -52.7 40.1 29.0 25.8 382 188 B R H X S+ 0 0 136 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.896 114.4 44.9 -51.8 -45.9 39.0 25.8 24.0 383 189 B I H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 5,-0.4 0.887 111.7 50.3 -71.0 -42.8 36.3 27.6 22.0 384 190 B L H X S+ 0 0 36 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.952 112.4 48.1 -60.0 -48.4 38.5 30.6 21.0 385 191 B K H < S+ 0 0 188 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.860 118.8 39.2 -59.9 -38.9 41.3 28.4 19.7 386 192 B S H < S+ 0 0 54 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.815 132.7 15.9 -81.9 -32.4 39.0 26.2 17.7 387 193 B A H < S+ 0 0 6 -4,-2.3 -258,-3.3 -5,-0.1 2,-0.4 0.522 109.6 67.8-126.2 -12.6 36.5 28.7 16.2 388 194 B V E < -G 128 0B 16 -4,-2.1 2,-0.5 -5,-0.4 -260,-0.2 -0.942 48.4-165.2-123.6 137.1 37.9 32.3 16.5 389 195 B Q E +G 127 0B 131 -262,-2.8 -262,-1.6 -2,-0.4 -4,-0.1 -0.987 10.8 177.1-115.3 118.5 40.8 34.1 14.9 390 196 B I - 0 0 64 -2,-0.5 2,-0.3 -264,-0.2 -264,-0.1 -0.925 17.2-156.6-119.1 100.7 41.8 37.3 16.6 391 197 B P - 0 0 67 0, 0.0 3,-0.1 0, 0.0 -265,-0.0 -0.598 13.7-124.7 -80.9 139.0 44.8 38.8 14.9 392 198 B A - 0 0 95 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.194 57.0 -59.4 -59.8 171.3 47.2 41.2 16.5 393 199 B R 0 0 243 1,-0.2 -1,-0.1 -2,-0.0 -269,-0.0 0.199 360.0 360.0 -60.8 171.7 47.7 44.5 14.6 394 200 B L 0 0 224 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.268 360.0 360.0 125.0 360.0 48.9 45.4 11.0