==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 21-AUG-06 2J3E . COMPND 2 MOLECULE: T7I23.11 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR Y.-H.YEH,M.M.KESAVULU,S.-Z.WU,H.-M.LI,Y.-J.SUN,E.H.KONOZY, . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.4 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.9 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+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 2 0 0 0 1 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 . 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 G 0 0 144 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.2 54.6 36.3 22.6 2 3 A S + 0 0 109 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.961 360.0 149.3-125.0 138.8 53.9 33.9 25.4 3 4 A L S S- 0 0 162 1,-0.8 2,-0.3 -2,-0.4 -1,-0.1 0.539 78.8 -65.4-126.9 -36.7 53.9 30.1 25.5 4 5 A V - 0 0 63 75,-0.0 -1,-0.8 80,-0.0 2,-0.4 -0.881 69.2 -69.0 167.4-163.8 55.0 29.6 29.1 5 6 A R E -a 78 0A 138 72,-0.9 74,-3.2 -2,-0.3 2,-0.5 -0.934 33.5-118.2-124.2 144.0 58.3 30.5 30.7 6 7 A E E -a 79 0A 105 -2,-0.4 2,-3.3 72,-0.2 3,-0.2 -0.618 37.1-118.2 -73.9 117.8 61.8 29.0 30.3 7 8 A W >> + 0 0 6 72,-2.4 3,-1.0 -2,-0.5 4,-1.0 -0.261 48.0 163.5 -58.7 69.5 62.8 27.7 33.7 8 9 A V H 3> + 0 0 86 -2,-3.3 4,-0.6 1,-0.3 -1,-0.2 0.763 69.7 68.9 -62.0 -23.2 65.8 30.1 34.1 9 10 A G H >> S+ 0 0 2 1,-0.2 4,-0.7 -3,-0.2 3,-0.7 0.888 92.4 57.5 -62.8 -37.5 65.6 29.2 37.8 10 11 A F H X4 S+ 0 0 5 -3,-1.0 3,-2.0 1,-0.3 -1,-0.2 0.948 99.2 54.9 -58.6 -53.0 66.8 25.7 37.0 11 12 A Q H 3< S+ 0 0 123 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.765 107.3 59.2 -50.8 -22.8 70.0 26.8 35.3 12 13 A Q H << S+ 0 0 119 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.733 82.8 95.3 -80.4 -26.6 70.4 28.5 38.7 13 14 A F S << S- 0 0 11 -3,-2.0 5,-0.1 -4,-0.7 206,-0.1 -0.375 89.4 -94.4 -67.5 145.0 70.3 25.5 40.9 14 15 A P >> - 0 0 40 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.189 40.2-106.0 -56.9 154.3 73.6 24.0 42.0 15 16 A A H 3> S+ 0 0 71 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.888 118.1 51.3 -48.3 -55.9 74.9 21.1 39.8 16 17 A A H 3> S+ 0 0 17 201,-0.3 4,-0.7 1,-0.3 -1,-0.3 0.799 115.0 45.5 -55.7 -30.2 74.2 18.3 42.2 17 18 A T H <> S+ 0 0 2 -3,-0.9 4,-2.6 200,-0.2 -1,-0.3 0.848 111.1 53.2 -80.6 -35.8 70.6 19.6 42.6 18 19 A Q H X S+ 0 0 53 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.982 113.9 40.1 -60.9 -56.9 70.3 20.1 38.8 19 20 A E H X S+ 0 0 121 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.711 115.7 52.2 -67.1 -22.6 71.2 16.6 37.9 20 21 A K H X S+ 0 0 53 -4,-0.7 4,-1.5 -5,-0.4 3,-0.4 0.898 112.0 45.7 -77.9 -42.0 69.3 15.2 40.9 21 22 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.809 106.1 60.3 -67.9 -32.3 66.2 17.1 39.8 22 23 A I H X S+ 0 0 96 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.815 103.8 53.3 -65.7 -29.0 66.7 16.0 36.2 23 24 A E H X S+ 0 0 101 -4,-0.7 4,-1.6 -3,-0.4 -2,-0.2 0.986 106.7 47.0 -69.8 -58.1 66.4 12.4 37.4 24 25 A F H X S+ 0 0 9 -4,-1.5 4,-0.8 1,-0.3 3,-0.4 0.881 117.4 44.1 -50.5 -47.1 63.1 12.7 39.2 25 26 A F H X S+ 0 0 11 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.832 103.5 64.2 -68.8 -34.4 61.5 14.5 36.3 26 27 A G H X S+ 0 0 25 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.871 98.5 59.4 -56.6 -33.2 63.1 12.1 33.9 27 28 A K H X S+ 0 0 81 -4,-1.6 4,-0.9 -3,-0.4 -1,-0.2 0.887 104.9 44.8 -61.1 -46.1 60.9 9.5 35.6 28 29 A L H ><>S+ 0 0 1 -4,-0.8 5,-3.3 -3,-0.4 3,-0.6 0.898 107.3 58.6 -68.3 -42.6 57.6 11.2 34.7 29 30 A K H ><5S+ 0 0 70 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.917 108.3 47.1 -51.5 -46.0 58.6 11.9 31.1 30 31 A Q H 3<5S+ 0 0 152 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.723 106.5 56.5 -68.8 -25.7 59.0 8.1 30.7 31 32 A K T <<5S- 0 0 89 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.078 130.2-100.4 -93.0 21.9 55.7 7.5 32.4 32 33 A D T < 5S+ 0 0 142 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.725 83.3 133.8 63.3 31.1 54.2 9.8 29.6 33 34 A M < + 0 0 46 -5,-3.3 -1,-0.2 -8,-0.1 -2,-0.2 -0.892 21.4 163.8-113.2 102.1 54.1 12.8 31.9 34 35 A N + 0 0 85 -2,-0.6 50,-1.2 49,-0.1 2,-0.3 0.045 68.8 46.2-103.8 25.2 55.4 16.1 30.5 35 36 A S E -b 84 0A 48 48,-0.2 2,-0.3 -7,-0.0 50,-0.2 -0.975 57.5-166.5-158.7 159.7 53.7 18.2 33.2 36 37 A M E -b 85 0A 1 48,-1.3 50,-3.2 -2,-0.3 2,-0.6 -0.909 7.1-159.1-155.9 123.6 53.2 18.3 36.9 37 38 A T E -b 86 0A 16 -2,-0.3 80,-2.5 48,-0.2 81,-1.4 -0.922 12.5-174.4-112.9 114.2 50.7 20.5 38.8 38 39 A V E -bc 87 118A 2 48,-3.0 50,-2.9 -2,-0.6 2,-0.3 -0.874 7.0-157.6-108.4 135.1 51.4 21.1 42.5 39 40 A L E -bc 88 119A 1 79,-2.9 81,-2.9 -2,-0.4 2,-0.4 -0.781 1.7-154.6-109.5 156.9 49.1 22.9 44.9 40 41 A V E +bc 89 120A 2 48,-1.1 50,-1.3 -2,-0.3 2,-0.2 -0.934 18.9 168.6-136.8 110.7 50.0 24.6 48.1 41 42 A L E + c 0 121A 1 79,-2.5 81,-2.1 -2,-0.4 2,-0.3 -0.692 18.1 96.6-115.5 168.4 47.5 25.1 51.0 42 43 A G E - c 0 122A 0 49,-0.3 51,-1.5 -2,-0.2 52,-0.2 -0.865 65.4 -42.7 145.0-178.8 47.8 26.2 54.6 43 44 A K S > S- 0 0 30 79,-0.6 3,-0.9 -2,-0.3 2,-0.2 -0.206 72.0 -79.7 -75.3 171.0 47.6 29.0 57.1 44 45 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.1 50,-0.2 24,-0.1 -0.541 107.8 13.0 -80.9 139.3 49.0 32.5 56.5 45 46 A G T 3 S+ 0 0 32 -2,-0.2 -1,-0.2 -3,-0.1 78,-0.1 0.475 84.2 121.0 81.7 2.9 52.7 33.2 56.9 46 47 A V S < S- 0 0 4 -3,-0.9 112,-0.2 76,-0.1 77,-0.2 0.796 90.3 -93.7 -68.7 -29.6 53.8 29.6 57.1 47 48 A G S > S+ 0 0 11 75,-0.1 4,-2.0 17,-0.1 5,-0.2 0.662 78.0 136.7 122.2 29.5 56.0 29.9 54.1 48 49 A K H > S+ 0 0 11 -5,-0.2 4,-2.7 2,-0.2 5,-0.2 0.982 81.3 41.2 -66.4 -56.8 54.1 28.8 51.0 49 50 A S H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 12,-0.3 0.920 114.5 53.3 -57.1 -47.2 55.3 31.7 48.8 50 51 A S H > S+ 0 0 39 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.920 112.1 44.7 -55.6 -46.1 58.8 31.4 50.1 51 52 A T H >X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 3,-1.2 0.965 111.3 50.4 -65.8 -52.7 58.9 27.7 49.3 52 53 A V H 3X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.3 5,-0.4 0.927 109.5 52.3 -50.6 -48.3 57.4 27.9 45.8 53 54 A N H 3X S+ 0 0 18 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.3 0.785 110.0 53.4 -57.1 -27.1 59.9 30.6 45.0 54 55 A S H << S+ 0 0 21 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.956 109.3 43.3 -73.7 -53.5 62.5 28.1 46.2 55 56 A L H < S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.947 116.3 45.8 -60.1 -53.3 61.5 25.2 44.0 56 57 A I H < S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.907 104.6-131.9 -59.6 -41.0 61.0 27.1 40.8 57 58 A G S < S+ 0 0 13 -4,-1.2 2,-0.2 1,-0.4 -3,-0.1 0.303 71.1 77.1 109.8 -11.8 64.3 28.9 41.4 58 59 A E S S- 0 0 36 -6,-0.2 2,-0.7 -46,-0.0 -1,-0.4 -0.593 93.4 -91.4-122.3-177.3 63.1 32.5 40.7 59 60 A Q S S+ 0 0 156 1,-0.2 -6,-0.1 -2,-0.2 -5,-0.1 -0.291 70.8 135.8 -92.1 48.7 61.2 35.3 42.5 60 61 A V + 0 0 32 -2,-0.7 2,-0.2 -7,-0.1 -1,-0.2 0.993 62.5 40.5 -57.9 -71.4 57.8 34.2 41.0 61 62 A V S S- 0 0 1 -3,-0.3 2,-0.4 -12,-0.3 -8,-0.1 -0.596 87.2-121.4 -84.8 144.0 55.6 34.5 44.0 62 63 A R - 0 0 128 -2,-0.2 -13,-0.1 1,-0.0 -12,-0.1 -0.677 21.3-148.3 -87.3 132.3 55.9 37.3 46.5 63 64 A V + 0 0 69 -2,-0.4 3,-0.1 -14,-0.1 -1,-0.0 -0.309 21.2 172.9 -86.7 179.1 56.6 36.6 50.1 64 65 A S - 0 0 50 1,-0.1 3,-0.2 -2,-0.1 -17,-0.1 -0.763 42.4-139.1 174.0 139.9 55.4 38.8 53.1 65 66 A P S S+ 0 0 109 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.956 105.9 54.3 -70.4 -45.6 55.1 39.1 56.8 66 67 A F + 0 0 170 1,-0.1 2,-0.4 -3,-0.1 3,-0.4 -0.727 62.5 161.8 -89.7 87.0 51.6 40.4 56.5 67 68 A Q + 0 0 55 -2,-1.2 25,-0.2 -3,-0.2 -1,-0.1 -0.439 39.7 112.2-104.5 55.3 49.9 37.7 54.4 68 69 A A S S+ 0 0 90 -2,-0.4 -1,-0.2 -24,-0.1 -2,-0.0 0.346 77.3 41.7-103.6 -2.8 46.5 38.9 55.4 69 70 A E + 0 0 169 -3,-0.4 2,-0.6 1,-0.0 -2,-0.1 0.658 66.0 104.0-109.8 -92.2 45.6 40.1 51.9 70 71 A G + 0 0 39 1,-0.2 -2,-0.1 21,-0.1 -3,-0.0 -0.241 41.6 172.2 49.5 -97.3 46.5 38.2 48.7 71 72 A L + 0 0 102 -2,-0.6 -1,-0.2 21,-0.1 19,-0.0 0.686 47.9 66.9 67.1 30.7 43.0 36.8 47.9 72 73 A R S S- 0 0 167 2,-0.0 35,-0.1 38,-0.0 31,-0.0 -0.594 80.5-117.4-175.3 109.3 43.4 35.1 44.5 73 74 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.249 26.6-156.3 -54.3 129.9 45.4 32.0 43.6 74 75 A V E - D 0 89A 48 15,-1.7 15,-2.8 2,-0.0 2,-0.4 -0.853 4.7-145.1-108.3 144.0 48.3 32.5 41.2 75 76 A M E - D 0 88A 59 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.829 6.5-155.7-107.9 146.0 49.7 29.7 39.1 76 77 A V E - D 0 87A 9 11,-2.6 11,-1.9 -2,-0.4 2,-0.5 -0.991 13.2-177.2-122.0 126.5 53.3 29.6 38.3 77 78 A S E + D 0 86A 29 -2,-0.5 -72,-0.9 9,-0.2 2,-0.3 -0.938 8.6 165.5-133.7 115.2 54.3 27.7 35.2 78 79 A R E -aD 5 85A 26 7,-2.2 7,-2.4 -2,-0.5 2,-0.3 -0.907 12.7-171.8-121.3 150.1 57.9 27.1 34.0 79 80 A T E +aD 6 84A 22 -74,-3.2 -72,-2.4 -2,-0.3 5,-0.2 -0.858 13.4 155.3-137.2 171.4 59.0 24.6 31.4 80 81 A M E > + D 0 83A 32 3,-2.3 3,-3.6 -2,-0.3 -2,-0.0 -0.813 64.7 20.9 172.6 151.9 62.1 23.0 29.8 81 82 A G T 3 S- 0 0 71 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.677 129.8 -60.6 52.5 17.8 63.2 19.9 28.0 82 83 A G T 3 S+ 0 0 50 1,-0.4 2,-0.4 -48,-0.0 -1,-0.3 0.487 115.3 115.7 88.8 2.4 59.6 19.3 27.1 83 84 A F E < - D 0 80A 6 -3,-3.6 -3,-2.3 2,-0.0 2,-0.4 -0.863 47.3-163.4-108.5 141.7 58.7 19.1 30.8 84 85 A T E -bD 35 79A 30 -50,-1.2 -48,-1.3 -2,-0.4 2,-0.4 -0.986 5.1-173.3-127.7 124.4 56.4 21.5 32.4 85 86 A I E -bD 36 78A 11 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.4 -0.964 6.2-178.4-117.6 135.2 56.0 22.1 36.1 86 87 A N E -bD 37 77A 16 -50,-3.2 -48,-3.0 -2,-0.4 2,-0.4 -0.993 7.9-166.7-133.8 139.7 53.4 24.3 37.6 87 88 A I E -bD 38 76A 0 -11,-1.9 -11,-2.6 -2,-0.4 2,-0.6 -0.957 13.5-145.0-122.2 142.2 52.7 25.2 41.2 88 89 A I E -bD 39 75A 0 -50,-2.9 -48,-1.1 -2,-0.4 2,-0.9 -0.941 10.9-153.6-108.8 124.5 49.5 27.0 42.4 89 90 A D E -bD 40 74A 10 -15,-2.8 -15,-1.7 -2,-0.6 -48,-0.1 -0.864 15.9-160.9-104.0 109.4 50.3 29.3 45.3 90 91 A T - 0 0 1 -50,-1.3 -41,-0.1 -2,-0.9 3,-0.1 -0.597 18.6-109.8 -89.7 150.3 47.1 29.5 47.2 91 92 A P - 0 0 13 0, 0.0 -49,-0.3 0, 0.0 -1,-0.1 -0.337 50.8 -74.1 -74.9 159.0 46.4 32.4 49.7 92 93 A G - 0 0 16 -25,-0.2 -49,-0.2 1,-0.1 -21,-0.1 -0.143 36.7-149.4 -51.1 151.0 46.3 31.8 53.4 93 94 A L S S+ 0 0 3 -51,-1.5 7,-4.4 -3,-0.1 2,-0.6 0.579 74.3 79.8-101.9 -13.9 43.2 30.0 54.6 94 95 A V B -G 99 0B 44 5,-0.3 2,-0.6 -52,-0.2 5,-0.3 -0.858 60.3-170.3 -96.2 120.2 42.8 31.5 58.1 95 96 A E - 0 0 111 3,-4.0 3,-0.4 -2,-0.6 6,-0.1 -0.919 62.2 -40.1-115.7 107.8 41.2 34.9 58.0 96 97 A A S S- 0 0 89 -2,-0.6 -1,-0.2 1,-0.2 -28,-0.0 0.902 127.7 -20.3 42.1 97.0 41.4 36.7 61.3 97 98 A G S S+ 0 0 71 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.478 131.7 52.7 59.7 2.0 40.7 34.2 64.1 98 99 A Y S S- 0 0 110 -3,-0.4 -3,-4.0 38,-0.0 35,-0.0 -0.994 92.7 -78.2-164.7 158.4 39.0 31.7 61.7 99 100 A V B -G 94 0B 8 -2,-0.3 2,-0.7 -5,-0.3 -5,-0.3 -0.189 43.5-131.6 -51.9 145.2 39.1 29.7 58.5 100 101 A N > + 0 0 20 -7,-4.4 4,-1.4 1,-0.1 -1,-0.1 -0.888 29.0 174.0-108.5 101.0 38.4 31.8 55.5 101 102 A H H > S+ 0 0 86 -2,-0.7 4,-1.8 2,-0.2 5,-0.3 0.710 73.5 69.5 -78.3 -22.8 35.8 30.0 53.4 102 103 A Q H > S+ 0 0 140 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.981 111.5 31.7 -54.4 -56.7 35.4 32.9 50.9 103 104 A A H > S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.773 108.3 69.5 -72.3 -34.1 38.9 32.2 49.6 104 105 A L H X S+ 0 0 5 -4,-1.4 4,-1.9 1,-0.3 -1,-0.2 0.907 109.9 35.0 -56.6 -42.5 38.8 28.4 50.2 105 106 A E H X S+ 0 0 123 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.772 107.4 67.8 -80.9 -23.8 36.3 28.1 47.4 106 107 A L H X S+ 0 0 83 -4,-1.0 4,-1.4 -5,-0.3 -2,-0.2 0.768 107.9 42.1 -60.7 -25.5 38.0 30.9 45.5 107 108 A I H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.906 108.3 56.1 -81.8 -51.9 40.7 28.3 45.3 108 109 A K H < S+ 0 0 72 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.747 112.8 47.0 -51.5 -25.4 38.2 25.5 44.6 109 110 A G H >< S+ 0 0 37 -4,-2.1 3,-0.5 1,-0.1 -1,-0.2 0.900 98.1 64.0 -82.3 -46.5 37.3 27.7 41.7 110 111 A F H 3< S+ 0 0 60 -4,-1.4 2,-0.5 1,-0.3 3,-0.2 0.783 109.1 47.6 -48.7 -28.6 40.7 28.6 40.4 111 112 A L T 3< + 0 0 17 -4,-1.4 -1,-0.3 1,-0.1 5,-0.1 -0.681 69.8 126.4-119.1 76.5 40.9 24.9 39.6 112 113 A V S < S+ 0 0 103 -3,-0.5 -1,-0.1 -2,-0.5 -2,-0.1 0.818 85.7 24.5 -98.0 -41.9 37.7 23.9 37.8 113 114 A N S S+ 0 0 158 -3,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.195 109.0 106.9-114.8 36.7 38.9 22.2 34.6 114 115 A R - 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0 0 42 -3,-1.0 45,-0.0 8,-0.1 -2,-0.0 -0.723 46.0-146.8 -87.1 108.5 65.0 26.1 63.8 163 164 A S - 0 0 94 -2,-0.8 -2,-0.1 1,-0.1 5,-0.0 -0.632 21.3-128.9 -74.9 106.3 67.4 25.4 66.7 164 165 A P > - 0 0 10 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.442 32.9-130.4 -62.0 101.6 65.0 24.4 69.5 165 166 A P T 3 S- 0 0 71 0, 0.0 2,-1.6 0, 0.0 -3,-0.0 0.006 70.8 -3.2 -54.9 152.7 66.2 26.8 72.4 166 167 A D T 3 S+ 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.235 126.5 58.9 50.3 -16.0 67.1 25.8 76.0 167 168 A E S < S- 0 0 155 -2,-1.6 2,-0.1 -3,-0.6 6,-0.0 -0.994 79.4-134.7-138.5 145.9 66.1 22.1 75.3 168 169 A L + 0 0 136 -2,-0.3 4,-0.0 1,-0.1 -5,-0.0 -0.228 54.8 65.6-113.4-167.9 67.6 19.7 72.7 169 170 A S >> - 0 0 40 3,-0.1 4,-2.1 2,-0.1 3,-1.6 0.985 46.3-150.3 71.1 82.1 67.8 17.1 70.0 170 171 A Y H 3> S+ 0 0 52 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.780 98.9 59.2 -48.2 -25.8 66.2 18.7 67.0 171 172 A E H 3> S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.895 105.5 45.4 -73.2 -38.6 65.2 15.2 66.0 172 173 A T H <> S+ 0 0 58 -3,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.797 119.4 44.4 -73.0 -27.2 63.2 14.7 69.2 173 174 A F H X S+ 0 0 36 -4,-2.1 4,-1.7 2,-0.1 -2,-0.2 0.937 109.1 54.6 -80.3 -47.8 61.7 18.1 68.6 174 175 A S H X S+ 0 0 11 -4,-3.6 4,-1.5 -5,-0.2 -2,-0.2 0.892 108.1 48.2 -50.4 -52.6 60.9 17.7 64.9 175 176 A S H >X S+ 0 0 37 -4,-1.6 4,-4.6 2,-0.2 3,-0.6 0.945 106.7 53.2 -57.7 -55.3 58.9 14.6 65.2 176 177 A K H 3X S+ 0 0 127 -4,-0.9 4,-1.8 1,-0.3 5,-0.2 0.883 113.7 46.9 -49.7 -37.0 56.6 15.7 68.1 177 178 A R H 3X S+ 0 0 6 -4,-1.7 4,-0.8 2,-0.2 -1,-0.3 0.784 118.1 41.2 -75.1 -29.1 55.9 18.7 65.8 178 179 A S H < S- 0 0 3 -4,-1.2 3,-1.3 -5,-0.3 -1,-0.3 -0.474 93.5-152.0 -79.3 70.5 39.8 15.0 58.5 190 191 A K G > S+ 0 0 81 -2,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.493 78.3 72.3 -13.7 -41.6 37.6 12.3 60.3 191 192 A M G 3 S+ 0 0 75 1,-0.2 3,-0.4 2,-0.1 4,-0.4 0.932 93.7 51.6 -48.6 -57.1 37.9 9.7 57.5 192 193 A R G <> + 0 0 25 -3,-1.3 4,-3.3 -7,-0.2 5,-0.2 0.541 67.0 108.8 -58.9 -22.4 41.5 8.7 58.1 193 194 A K T <4 S+ 0 0 78 -7,-1.0 4,-0.4 -3,-0.7 -1,-0.2 0.723 98.5 16.2 -38.8 -54.5 42.1 7.8 61.7 194 195 A Q T >4 S+ 0 0 117 -3,-0.4 3,-0.5 1,-0.1 -1,-0.2 0.881 130.5 48.9 -85.6 -37.3 42.5 4.0 61.4 195 196 A E T >> S+ 0 0 108 -4,-0.4 3,-1.2 1,-0.2 4,-0.9 0.575 88.7 85.5 -71.5 -20.3 43.1 3.8 57.7 196 197 A F H >X S+ 0 0 18 -4,-3.3 4,-2.4 1,-0.3 3,-0.7 0.953 87.0 54.0 -47.2 -55.2 45.7 6.6 57.9 197 198 A E H <4 S+ 0 0 158 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.727 94.8 72.7 -54.4 -24.5 48.2 3.8 58.8 198 199 A D H <4 S+ 0 0 118 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.954 120.9 3.8 -57.3 -60.9 47.2 2.0 55.6 199 200 A S H << S- 0 0 56 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.711 91.1-146.1 -91.9 -34.8 49.0 4.5 53.2 200 201 A A < - 0 0 73 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.0 0.802 7.3-134.9 64.9 124.6 50.9 7.1 55.4 201 202 A I - 0 0 16 -47,-0.0 -46,-0.1 -49,-0.0 -1,-0.0 0.952 33.2-157.7 -72.7 -53.3 51.3 10.8 54.4 202 203 A A - 0 0 58 -48,-0.1 -47,-1.9 -46,-0.0 2,-0.3 0.176 7.4-113.9 88.4 154.6 55.1 11.6 55.2 203 204 A V E -f 155 0A 43 -49,-0.2 2,-0.4 -47,-0.0 -47,-0.2 -0.917 15.6-162.3-129.8 157.6 56.8 14.9 55.8 204 205 A V E -f 156 0A 12 -49,-2.7 -47,-2.1 -2,-0.3 2,-0.4 -0.986 16.4-141.1-131.6 140.0 59.4 17.0 54.1 205 206 A Y E -f 157 0A 34 -2,-0.4 2,-0.3 -49,-0.2 -47,-0.2 -0.837 18.5-171.1-108.2 141.7 61.4 19.8 55.9 206 207 A A E -f 158 0A 0 -49,-2.9 -46,-2.9 -2,-0.4 -47,-1.2 -0.976 20.5-169.0-136.6 147.5 62.3 23.2 54.3 207 208 A E + 0 0 18 -2,-0.3 5,-0.2 -48,-0.3 21,-0.1 -0.706 12.0 172.0-133.9 80.5 64.5 26.2 55.0 208 209 A N + 0 0 29 -2,-0.3 -1,-0.1 -161,-0.1 4,-0.1 0.762 43.6 109.5 -59.3 -32.2 63.7 29.0 52.6 209 210 A S S > S- 0 0 59 1,-0.1 3,-0.9 2,-0.1 -2,-0.1 0.031 76.9-122.8 -47.5 156.5 65.8 31.7 54.4 210 211 A G T 3 S+ 0 0 77 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.445 106.9 66.4 -82.4 -0.4 69.0 32.9 52.8 211 212 A R T 3 + 0 0 193 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.171 63.4 111.5-104.5 16.8 70.9 31.8 55.8 212 213 A C < - 0 0 1 -3,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 0.811 66.3-151.5 -59.1 -34.0 70.4 28.1 55.4 213 214 A S - 0 0 81 -3,-0.3 8,-1.4 7,-0.1 -2,-0.1 0.143 11.3-103.4 75.1 164.8 74.0 27.5 54.6 214 215 A K - 0 0 104 6,-0.2 2,-0.2 1,-0.1 6,-0.1 0.272 14.6-136.0-102.4-145.0 75.3 24.6 52.4 215 216 A N > - 0 0 45 5,-0.0 3,-2.0 6,-0.0 -1,-0.1 -0.856 59.4 -51.5-162.3-171.4 77.0 21.3 52.1 216 217 A D T 3 S+ 0 0 159 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.889 135.6 35.8 -40.7 -57.2 79.7 19.6 50.0 217 218 A K T 3 S- 0 0 132 2,-0.1 -201,-0.3 -203,-0.0 -1,-0.3 0.076 115.8-104.8 -92.9 22.4 78.2 20.6 46.6 218 219 A D S < S+ 0 0 97 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.700 72.5 139.4 65.6 26.0 76.8 24.0 47.6 219 220 A E - 0 0 5 -206,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.872 65.9 -92.7-108.3 131.9 73.1 23.1 47.9 220 221 A K - 0 0 58 -2,-0.5 8,-1.4 7,-0.1 9,-0.6 -0.086 56.1-175.1 -39.3 113.1 70.7 24.3 50.6 221 222 A A B -I 227 0D 4 -8,-1.4 6,-0.2 6,-0.3 5,-0.1 -0.706 19.9-126.7-114.7 165.7 70.9 21.6 53.3 222 223 A L - 0 0 15 4,-2.0 3,-0.5 -2,-0.2 -61,-0.1 -0.337 36.0-101.1 -98.7-178.4 69.2 21.0 56.6 223 224 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -62,-0.1 0.890 124.8 66.3 -71.0 -34.9 70.7 20.4 60.0 224 225 A N S S- 0 0 81 1,-0.1 -53,-0.0 2,-0.1 -3,-0.0 0.773 117.6-119.2 -53.8 -26.9 70.0 16.8 59.3 225 226 A G S S+ 0 0 42 -3,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.013 73.5 99.3 115.7 -33.4 72.6 17.2 56.5 226 227 A E S S- 0 0 96 -5,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.321 80.0 -88.8 -87.5 171.8 70.9 16.5 53.1 227 228 A A B > -I 221 0D 6 -6,-0.2 4,-1.4 1,-0.1 -6,-0.3 -0.669 30.8-161.9 -80.5 128.4 69.6 18.9 50.5 228 229 A W H > S+ 0 0 0 -8,-1.4 4,-1.4 -2,-0.4 -1,-0.1 0.842 86.3 51.1 -80.4 -35.1 65.9 19.8 51.1 229 230 A I H > S+ 0 0 12 -9,-0.6 4,-2.0 2,-0.2 5,-0.3 0.977 112.9 46.2 -65.3 -54.8 65.0 21.1 47.6 230 231 A P H >> S+ 0 0 2 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.961 119.6 37.9 -53.2 -57.4 66.4 18.0 45.9 231 232 A N H 3X S+ 0 0 38 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.709 109.9 64.2 -68.4 -21.6 64.8 15.4 48.2 232 233 A L H 3X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.888 104.8 44.1 -67.1 -40.8 61.6 17.6 48.4 233 234 A V H