==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 15-JAN-13 4IRM . COMPND 2 MOLECULE: MN TRANSPORTER; MNTC; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR M.KANTEEV,N.ADIR . 756 14 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 0.1 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 . 1 0.1 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 . 39 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 6 0 1 2 4 0 0 3 0 1 2 0 1 0 1 0 0 0 1 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 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 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 54 A K 0 0 154 0, 0.0 2,-0.3 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 158.2 32.7 6.5 -18.9 2 55 A K - 0 0 75 20,-0.1 22,-1.3 119,-0.1 2,-0.1 -0.590 360.0-138.5 -84.3 138.1 34.4 9.8 -19.2 3 56 A K E -a 24 0A 84 45,-1.0 2,-0.3 -2,-0.3 22,-0.2 -0.457 18.4-163.2 -88.6 168.3 38.1 9.6 -19.4 4 57 A V E -a 25 0A 2 20,-1.6 22,-2.1 -2,-0.1 2,-0.4 -0.946 5.0-150.3-156.9 141.9 40.4 12.1 -17.6 5 58 A L E -ab 26 51A 24 45,-2.3 47,-3.7 -2,-0.3 2,-0.2 -0.789 4.8-160.6-122.1 149.1 43.9 13.1 -17.7 6 59 A T - 0 0 3 20,-1.7 47,-0.2 -2,-0.4 3,-0.0 -0.638 26.7-124.3-114.3 173.7 46.4 14.4 -15.3 7 60 A T S S- 0 0 2 -2,-0.2 21,-0.2 20,-0.1 22,-0.2 0.869 90.1 -28.2 -88.6 -39.4 49.7 16.3 -15.5 8 61 A F S S- 0 0 3 20,-0.1 20,-0.3 19,-0.1 21,-0.2 -0.044 77.4 -92.5-136.0-114.2 51.7 13.8 -13.5 9 62 A T S >>>S+ 0 0 7 229,-0.3 4,-1.5 18,-0.1 3,-0.6 0.463 100.9 86.9-144.3 -40.8 50.6 11.4 -10.7 10 63 A V T 345S+ 0 0 7 228,-0.5 4,-0.2 1,-0.3 229,-0.1 0.730 114.4 31.6 -40.6 -17.4 51.1 13.2 -7.4 11 64 A L T 3>5S+ 0 0 2 2,-0.1 4,-2.3 3,-0.1 -1,-0.3 0.519 102.1 82.8-114.7 -17.5 47.6 14.3 -8.6 12 65 A A H <>5S+ 0 0 16 -3,-0.6 4,-1.9 2,-0.2 3,-0.2 0.947 102.7 33.2 -54.8 -52.7 46.7 11.1 -10.5 13 66 A D H X5S+ 0 0 28 -4,-1.5 4,-1.7 1,-0.2 5,-0.3 0.951 110.5 67.0 -69.0 -41.2 45.6 9.4 -7.4 14 67 A M H 4X S+ 0 0 0 -4,-2.3 4,-2.7 -3,-0.2 3,-0.8 0.799 112.1 61.7 -87.1 -31.2 41.7 12.7 -8.6 16 69 A Q H 3X S+ 0 0 91 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.620 101.1 57.2 -73.0 -7.9 41.1 9.0 -9.0 17 70 A N H 3< S+ 0 0 42 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.689 110.6 39.8 -95.8 -21.5 40.1 9.0 -5.4 18 71 A V H <4 S+ 0 0 0 -3,-0.8 114,-0.2 -4,-0.3 -2,-0.2 0.734 116.6 52.0 -86.9 -33.0 37.3 11.5 -5.9 19 72 A A H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 4,-0.4 0.898 87.1 178.7 -67.3 -41.5 36.4 9.9 -9.2 20 73 A G T 3< - 0 0 13 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 -0.510 61.0 -33.6 75.4-140.0 36.1 6.4 -7.7 21 74 A D T 3 S+ 0 0 101 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.281 123.8 83.5 -98.4 8.6 35.1 3.6 -9.9 22 75 A K S < S+ 0 0 56 -3,-1.1 -2,-0.2 102,-0.1 -1,-0.1 0.950 96.2 20.3 -80.2 -50.4 32.9 5.9 -12.0 23 76 A L S S- 0 0 13 -4,-0.4 2,-0.3 -22,-0.1 -20,-0.2 -0.106 77.6-115.3 -98.6-159.4 35.4 7.4 -14.4 24 77 A V E -a 3 0A 58 -22,-1.3 -20,-1.6 -2,-0.0 2,-0.4 -0.880 27.3-172.4-144.5 112.5 38.9 6.5 -15.6 25 78 A V E +a 4 0A 20 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.862 6.1 174.2-108.5 138.7 41.9 8.6 -14.8 26 79 A E E -a 5 0A 127 -22,-2.1 -20,-1.7 -2,-0.4 2,-0.1 -0.986 20.4-139.9-136.9 147.0 45.4 8.2 -16.1 27 80 A S - 0 0 35 -2,-0.3 -18,-0.1 -22,-0.2 -20,-0.1 -0.249 16.5-131.0 -87.5-173.5 48.5 10.2 -15.8 28 81 A I S S+ 0 0 56 -20,-0.3 -20,-0.1 -21,-0.2 -1,-0.1 0.644 87.4 51.9-109.5 -27.5 51.0 10.9 -18.7 29 82 A T S S- 0 0 17 -21,-0.2 2,-0.3 -22,-0.2 -2,-0.2 -0.237 77.3-130.9 -96.5-166.9 54.1 10.0 -16.8 30 83 A R - 0 0 184 -2,-0.1 -21,-0.1 1,-0.1 -2,-0.0 -0.984 43.4 -59.5-151.2 152.4 55.0 6.9 -14.8 31 84 A I S S+ 0 0 91 -2,-0.3 210,-0.1 1,-0.1 -1,-0.1 0.141 115.5 22.8 -40.9 132.4 56.5 6.2 -11.3 32 85 A G S S+ 0 0 51 208,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.997 86.2 120.4 74.0 76.5 59.9 7.8 -11.0 33 86 A A - 0 0 30 181,-0.1 2,-0.5 -4,-0.0 -1,-0.2 -0.893 69.3 -97.3-166.2 137.6 60.4 10.6 -13.5 34 87 A E > - 0 0 92 -2,-0.3 3,-0.9 1,-0.2 205,-0.0 -0.392 29.2-165.5 -58.9 107.2 61.1 14.4 -13.3 35 88 A I T 3 S+ 0 0 6 -2,-0.5 24,-0.4 1,-0.3 26,-0.2 0.258 75.9 84.5 -79.4 14.0 57.7 16.0 -13.5 36 89 A H T 3 S- 0 0 49 1,-0.4 -1,-0.3 22,-0.1 2,-0.2 0.234 110.6 -59.3 -98.6 11.7 59.5 19.3 -14.2 37 90 A G S < S+ 0 0 8 -3,-0.9 -1,-0.4 1,-0.3 -3,-0.0 -0.691 89.6 80.1 134.4 173.1 59.8 18.5 -17.9 38 91 A Y + 0 0 187 -2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.186 60.2 79.5 75.7 160.9 61.2 16.0 -20.4 39 92 A E + 0 0 73 1,-0.2 2,-1.1 -10,-0.0 -1,-0.1 0.725 57.1 149.8 76.8 22.6 59.7 12.6 -21.4 40 93 A P + 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.748 16.8 164.6 -92.7 94.3 57.3 14.3 -23.7 41 94 A T - 0 0 85 -2,-1.1 0, 0.0 2,-0.1 0, 0.0 -0.776 57.7 -90.4-110.4 155.1 56.6 11.8 -26.5 42 95 A P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.760 94.1 113.6 -26.1 -45.1 53.8 11.7 -29.2 43 96 A S 0 0 93 1,-0.2 -2,-0.1 -15,-0.0 -15,-0.0 0.047 360.0 360.0 -34.6 135.8 51.9 9.6 -26.6 44 97 A D 0 0 112 -4,-0.1 3,-0.5 3,-0.0 -1,-0.2 0.279 360.0 360.0-162.4 360.0 48.9 11.6 -25.4 45 ! 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 46 102 A Q 0 0 71 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 110.4 45.2 13.0 -26.4 47 103 A D + 0 0 122 -3,-0.5 -44,-0.1 3,-0.1 -43,-0.1 -0.450 360.0 127.0-172.0 92.1 41.5 12.8 -25.7 48 104 A A - 0 0 8 24,-0.1 -45,-1.0 -45,-0.1 3,-0.1 0.654 70.0-112.1-118.4 -28.3 39.7 12.4 -22.3 49 105 A D S S+ 0 0 54 -47,-0.1 2,-0.2 23,-0.1 -45,-0.1 0.654 96.0 38.4 96.7 21.9 37.2 15.3 -22.1 50 106 A L - 0 0 9 22,-0.2 -45,-2.3 2,-0.0 2,-0.4 -0.590 60.9-162.9 163.2 131.4 39.1 16.9 -19.3 51 107 A I B -b 5 0A 33 22,-0.3 24,-1.5 21,-0.3 2,-0.3 -0.979 11.7-162.4-129.2 128.7 42.7 17.5 -18.3 52 108 A L E +c 75 0B 0 -47,-3.7 2,-0.3 -2,-0.4 24,-0.2 -0.709 16.6 159.0-111.9 159.7 43.7 18.4 -14.9 53 109 A Y E -c 76 0B 51 22,-1.4 24,-0.6 -2,-0.3 25,-0.4 -0.955 44.3-116.8-162.2-176.3 46.9 19.9 -13.7 54 110 A N - 0 0 1 -2,-0.3 24,-0.4 1,-0.2 23,-0.2 0.792 39.5-169.1-103.4 -31.8 48.7 21.9 -11.1 55 111 A G > + 0 0 10 3,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.502 45.2 118.2 72.7-145.2 49.7 24.9 -12.9 56 112 A M T 3 S- 0 0 40 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.862 106.4 -74.4 48.6 41.8 52.1 27.2 -11.2 57 113 A N T 3 S+ 0 0 72 1,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.571 107.7 116.9 50.6 11.9 54.8 26.7 -13.9 58 114 A L S < S+ 0 0 3 -3,-1.9 -3,-0.3 1,-0.2 -4,-0.2 -0.871 86.8 13.1 -96.6 140.6 55.5 23.2 -12.6 59 115 A E S > S+ 0 0 3 -2,-0.4 3,-1.6 -24,-0.4 4,-0.2 0.536 83.6 140.9 70.9 8.4 54.6 20.7 -15.3 60 116 A A T > + 0 0 18 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.331 38.4 103.1 -65.3 9.7 54.4 23.6 -17.7 61 117 A W T 3> S+ 0 0 62 1,-0.2 4,-0.6 -26,-0.2 3,-0.3 0.775 85.2 43.6 -61.6 -26.8 56.0 21.3 -20.2 62 118 A F H <> S+ 0 0 27 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.629 81.8 97.1 -96.0 -7.4 52.6 20.9 -21.7 63 119 A E H <4 S+ 0 0 98 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.778 101.9 31.6 -55.3 -25.6 51.6 24.5 -21.6 64 120 A Q H >4 S+ 0 0 133 -4,-0.4 3,-3.2 -3,-0.3 -1,-0.3 0.780 106.4 71.4 -95.8 -33.6 52.7 24.6 -25.2 65 121 A F H >< S+ 0 0 25 -4,-0.6 3,-1.3 1,-0.3 4,-0.2 0.697 84.8 71.4 -56.7 -19.3 51.8 21.0 -25.9 66 122 A L G >< S+ 0 0 107 -4,-1.8 3,-2.3 1,-0.2 -1,-0.3 0.789 78.0 79.7 -65.0 -26.1 48.2 22.1 -25.7 67 123 A G G < S+ 0 0 64 -3,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.672 81.4 65.2 -56.0 -18.9 48.9 23.9 -29.0 68 124 A N G < S+ 0 0 135 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.3 0.748 112.7 25.4 -74.0 -25.6 48.4 20.5 -30.7 69 125 A V < - 0 0 40 -3,-2.3 2,-0.2 -4,-0.2 -1,-0.0 -0.897 68.4-140.5-135.8 166.4 44.7 20.4 -29.7 70 126 A K + 0 0 181 -2,-0.3 -3,-0.0 3,-0.0 -2,-0.0 -0.724 62.7 2.2-123.5 176.7 41.9 22.7 -28.8 71 127 A D + 0 0 140 -2,-0.2 3,-0.2 1,-0.1 -2,-0.1 -0.295 62.1 123.9 47.6-132.9 39.0 22.6 -26.3 72 128 A V - 0 0 35 1,-0.2 -21,-0.3 -22,-0.0 -22,-0.2 0.841 68.5-139.0 32.6 55.9 39.0 19.7 -24.0 73 129 A P - 0 0 90 0, 0.0 -22,-0.3 0, 0.0 -1,-0.2 -0.064 22.2-165.0 -46.0 114.4 39.1 22.4 -21.3 74 130 A S - 0 0 46 -3,-0.2 2,-0.3 -24,-0.2 -22,-0.2 -0.130 7.3-138.9 -80.1-167.5 41.4 21.4 -18.6 75 131 A V E -c 52 0B 30 -24,-1.5 -22,-1.4 -2,-0.1 3,-0.1 -0.969 8.1-126.8-162.9 132.3 41.4 23.1 -15.2 76 132 A V E -c 53 0B 30 -2,-0.3 -22,-0.2 1,-0.2 -21,-0.1 -0.438 14.5-166.2 -75.1 167.8 44.0 24.3 -12.8 77 133 A L S S+ 0 0 0 -24,-0.6 2,-2.3 -23,-0.2 -1,-0.2 0.601 70.0 86.4-120.4 -36.6 43.5 23.0 -9.4 78 134 A T + 0 0 14 -24,-0.4 -22,-0.2 -25,-0.4 -1,-0.1 -0.344 57.7 117.5 -68.9 83.9 45.9 25.2 -7.7 79 135 A E + 0 0 119 -2,-2.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.455 42.2 79.1-152.0 71.1 43.3 28.0 -7.2 80 136 A G S S- 0 0 53 -2,-0.0 -2,-0.0 32,-0.0 25,-0.0 0.876 93.1 -76.5 -97.3 -72.1 42.7 28.8 -3.5 81 137 A I S S+ 0 0 63 0, 0.0 -3,-0.0 0, 0.0 24,-0.0 0.596 70.1 28.2-179.6 175.3 44.9 30.3 -3.0 82 138 A E - 0 0 132 2,-0.0 2,-0.3 -2,-0.0 -3,-0.0 -0.825 31.3-151.2-174.5 137.4 48.3 31.7 -2.2 83 139 A P - 0 0 52 0, 0.0 16,-0.0 0, 0.0 -27,-0.0 -0.838 16.7-130.2-116.9 152.9 51.9 30.6 -2.8 84 140 A I - 0 0 45 -2,-0.3 12,-2.0 12,-0.2 84,-0.1 -0.823 41.7-123.0 -92.0 139.5 55.1 31.1 -1.0 85 141 A P B -D 95 0C 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.020 21.4 -88.8 -81.7-166.2 57.6 32.4 -3.5 86 142 A I - 0 0 15 8,-0.7 7,-1.1 5,-0.2 3,-0.1 -0.738 24.4-157.7-107.1 143.8 60.9 31.3 -4.7 87 143 A A - 0 0 60 -2,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.941 60.0 -1.1 -84.2 -73.1 64.2 32.2 -3.1 88 144 A D S S+ 0 0 104 4,-0.1 -1,-0.1 5,-0.0 5,-0.1 -0.401 91.8 33.5-118.4-179.8 67.1 31.9 -5.5 89 145 A G S S- 0 0 26 -2,-0.1 3,-0.2 93,-0.1 -3,-0.0 0.018 101.8 -22.4 69.9 178.4 68.1 30.8 -9.0 90 146 A P S S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.243 129.6 44.4 -55.0 155.9 66.1 31.2 -12.2 91 147 A Y S > S+ 0 0 100 1,-0.2 3,-1.1 2,-0.1 2,-0.2 0.757 84.8 178.8 65.3 29.0 62.3 31.5 -11.4 92 148 A T T 3 + 0 0 91 1,-0.3 -1,-0.2 -3,-0.2 -5,-0.1 -0.475 69.1 7.6 -63.2 126.5 63.4 33.9 -8.7 93 149 A D T 3 S+ 0 0 124 -7,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.972 100.7 134.8 58.3 51.1 60.3 35.2 -7.0 94 150 A K < - 0 0 75 -3,-1.1 -8,-0.7 -4,-0.1 2,-0.4 -0.772 67.3 -83.0-110.4 168.3 58.1 32.8 -8.9 95 151 A P B -D 85 0C 55 0, 0.0 -3,-0.0 0, 0.0 -9,-0.0 -0.593 38.4-128.1 -72.5 128.9 55.4 30.7 -7.3 96 152 A N - 0 0 3 -12,-2.0 -12,-0.2 -2,-0.4 -38,-0.1 -0.618 22.6-161.8 -67.7 143.9 56.6 27.6 -5.6 97 153 A P + 0 0 8 0, 0.0 2,-2.6 0, 0.0 3,-0.3 0.548 62.7 97.3-109.6 -14.1 54.4 24.9 -7.1 98 154 A H + 0 0 0 1,-0.2 71,-0.4 2,-0.1 3,-0.4 -0.464 45.2 139.7 -74.9 70.4 54.8 22.0 -4.7 99 155 A A > + 0 0 1 -2,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.510 49.2 74.2 -97.3 -6.5 51.6 23.1 -3.0 100 156 A W T 3 S+ 0 0 1 -3,-0.3 -1,-0.2 1,-0.2 6,-0.1 0.600 76.9 78.2 -81.3 -9.3 50.1 19.6 -2.4 101 157 A M T 3 S+ 0 0 2 -3,-0.4 -1,-0.2 65,-0.2 -2,-0.1 0.387 78.4 79.5 -88.3 10.9 52.5 18.8 0.3 102 158 A S S X> S- 0 0 9 -3,-0.8 4,-3.0 1,-0.1 3,-2.6 -0.950 73.3-151.9-111.5 108.7 50.5 20.9 2.7 103 159 A P T 34 S+ 0 0 7 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.743 93.4 64.5 -47.9 -24.9 47.4 18.8 3.9 104 160 A R T 3> S+ 0 0 213 1,-0.2 4,-0.7 2,-0.2 -4,-0.1 0.752 112.6 31.5 -77.7 -28.9 45.6 22.1 4.3 105 161 A N H <> S+ 0 0 21 -3,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.808 103.2 69.9-101.2 -29.5 45.7 22.9 0.7 106 162 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.3 -2,-0.2 0.740 98.5 61.6 -53.4 -12.1 45.6 19.5 -0.6 107 163 A L H > S+ 0 0 55 -5,-0.4 4,-1.1 -4,-0.3 5,-0.3 0.984 94.4 58.1 -64.6 -61.2 42.2 20.1 0.8 108 164 A V H >X S+ 0 0 41 -4,-0.7 4,-2.9 1,-0.3 3,-2.2 0.837 106.1 49.5 -39.9 -54.5 41.6 22.9 -1.5 109 165 A Y H 3X S+ 0 0 1 -4,-1.8 4,-4.9 1,-0.3 5,-0.5 0.937 101.6 58.2 -52.8 -58.5 42.2 20.6 -4.4 110 166 A V H 3< S+ 0 0 0 -4,-1.5 4,-0.4 1,-0.3 -1,-0.3 0.673 116.6 38.9 -50.4 -16.9 39.9 17.9 -3.3 111 167 A E H X S+ 0 0 0 -4,-4.9 4,-0.9 -5,-0.3 3,-0.7 0.933 105.9 52.5 -56.7 -49.7 38.9 19.0 -8.2 114 170 A R H >> S+ 0 0 55 -5,-0.5 3,-4.9 -4,-0.4 4,-1.2 0.975 99.1 63.2 -45.2 -61.5 35.3 18.2 -7.5 115 171 A Q H 3X S+ 0 0 98 -4,-1.7 4,-1.2 1,-0.3 -1,-0.2 0.750 104.5 48.3 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5,-0.1 0.275 71.3 91.1-106.9 9.6 11.1 -0.2 17.2 477 275 B K H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.991 81.0 58.6 -70.6 -56.3 7.8 1.5 17.3 478 276 B G H > S+ 0 0 38 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.793 110.4 47.2 -39.4 -35.9 8.2 3.2 13.9 479 277 B Q H >> S+ 0 0 17 -4,-0.2 4,-1.6 2,-0.2 3,-0.8 0.980 105.2 54.4 -72.4 -60.4 8.6 -0.3 12.5 480 278 B K H 3X S+ 0 0 90 -4,-2.1 4,-1.6 1,-0.3 3,-0.4 0.870 100.7 64.2 -40.1 -48.6 5.6 -2.0 14.2 481 279 B Q H >X S+ 0 0 111 -4,-2.2 3,-1.2 1,-0.3 4,-0.5 0.916 104.0 44.2 -42.2 -58.9 3.4 0.7 12.8 482 280 B V H X< S+ 0 0 21 -4,-0.9 3,-1.2 -3,-0.8 6,-0.3 0.845 109.4 58.9 -57.3 -34.9 4.1 -0.4 9.2 483 281 B A H 3< S+ 0 0 24 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.773 92.3 66.8 -65.9 -26.9 3.7 -4.0 10.3 484 282 B Q H << S+ 0 0 162 -4,-1.6 -1,-0.3 -3,-1.2 2,-0.2 0.698 109.1 41.4 -69.0 -19.1 0.1 -3.2 11.4 485 283 B A S X< S+ 0 0 53 -3,-1.2 3,-1.3 -4,-0.5 0, 0.0 -0.664 104.8 33.8-117.3 172.8 -0.7 -2.7 7.8 486 284 B T T 3 S- 0 0 63 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 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0 0 45 -2,-0.5 2,-0.3 -42,-0.1 -40,-0.1 -0.880 7.0-167.6-113.8 152.7 24.4 30.9 14.2 720 267 C F - 0 0 3 -42,-0.9 2,-0.2 -2,-0.3 -40,-0.2 -1.000 9.8-169.4-149.2 149.7 27.3 29.8 16.4 721 268 C C E -p 739 0N 1 17,-2.2 19,-5.8 -2,-0.3 2,-0.2 -0.768 23.6 -99.5-130.6-179.5 28.1 27.7 19.5 722 269 C E E -p 740 0N 4 17,-0.3 19,-0.2 4,-0.3 17,-0.0 -0.619 15.2-124.0-120.7 162.1 30.9 27.1 21.8 723 270 C S S S+ 0 0 18 17,-0.8 18,-0.1 -2,-0.2 -1,-0.1 0.680 107.9 38.4 -70.5 -18.1 33.8 24.8 22.6 724 271 C T S S+ 0 0 13 20,-0.1 -165,-0.2 2,-0.1 -1,-0.1 0.904 103.5 56.0 -96.1 -71.6 32.6 24.3 26.2 725 272 C V S S- 0 0 20 1,-0.1 -44,-0.1 -167,-0.1 -45,-0.1 0.061 91.9 -84.5 -61.2 162.6 28.8 24.0 26.5 726 273 C S - 0 0 71 1,-0.1 -4,-0.3 -46,-0.0 3,-0.1 -0.282 26.3-136.6 -64.0 165.3 26.5 21.6 24.7 727 274 C D S >> S+ 0 0 57 1,-0.1 4,-2.1 2,-0.1 3,-1.1 0.487 76.5 98.6 -95.6 -19.0 25.2 22.3 21.2 728 275 C K H 3> S+ 0 0 124 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.832 78.5 52.8 -54.8 -46.8 21.7 21.3 21.6 729 276 C G H 3> S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.827 113.1 45.4 -59.4 -35.0 20.1 24.7 22.2 730 277 C Q H <> S+ 0 0 35 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.855 107.0 58.2 -77.0 -38.0 21.7 26.0 19.0 731 278 C K H >X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 3,-0.7 0.969 103.3 54.9 -52.3 -51.4 20.7 23.0 17.0 732 279 C Q H 3X S+ 0 0 111 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.875 112.6 38.6 -54.4 -52.5 17.1 23.6 17.8 733 280 C V H 3< S+ 0 0 43 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.686 108.6 67.0 -73.9 -18.8 16.9 27.2 16.6 734 281 C A H << S+ 0 0 46 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.934 109.4 33.5 -69.5 -44.5 19.2 26.3 13.6 735 282 C Q H < 0 0 179 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.935 360.0 360.0 -73.6 -37.7 16.6 24.1 12.0 736 283 C A < 0 0 113 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.568 360.0 360.0 -60.1 360.0 13.9 26.2 13.2 737 ! 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 0.0 738 290 C G 0 0 81 0, 0.0 -17,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-136.4 30.3 26.1 13.7 739 291 C N E -p 721 0N 37 -19,-0.2 -17,-0.3 -16,-0.0 23,-0.1 -0.883 360.0-156.9-105.5 126.2 31.9 26.2 17.1 740 292 C L E -p 722 0N 2 -19,-5.8 -17,-0.8 -2,-0.5 2,-0.4 -0.200 13.8-127.7 -82.7-177.0 33.4 29.4 18.6 741 293 C Y + 0 0 38 -19,-0.2 4,-0.1 17,-0.1 22,-0.1 -0.971 49.4 121.6-142.0 123.5 36.0 29.6 21.3 742 294 C V S S+ 0 0 4 -2,-0.4 -207,-0.1 3,-0.1 -1,-0.1 0.399 78.7 31.9-138.9 -75.5 35.9 31.5 24.5 743 295 C D S S+ 0 0 2 -209,-0.1 -209,-0.4 -208,-0.1 2,-0.3 0.517 127.5 30.5 -72.9 -4.4 36.3 29.7 27.9 744 296 C S - 0 0 1 -210,-0.1 -21,-0.2 -211,-0.1 2,-0.1 -0.949 65.6-153.3-147.0 172.8 38.5 27.2 26.2 745 297 C L - 0 0 10 -2,-0.3 2,-0.2 -189,-0.1 -3,-0.1 -0.324 28.3 -93.9-128.6-159.0 41.1 26.9 23.4 746 298 C S - 0 0 15 6,-1.7 -190,-0.1 1,-0.2 -409,-0.1 -0.721 32.4-100.6-121.9 173.3 42.3 24.0 21.2 747 299 C T - 0 0 11 -2,-0.2 -1,-0.2 -411,-0.2 -410,-0.1 -0.069 59.6 -69.6 -77.1-168.5 45.1 21.5 21.2 748 300 C E S S+ 0 0 74 1,-0.2 4,-0.1 -604,-0.0 -409,-0.0 0.748 128.4 28.0 -57.3 -32.5 48.3 21.6 19.2 749 301 C E S S+ 0 0 58 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.927 95.0 86.5 -97.1 -65.1 46.6 21.1 15.9 750 302 C G S S- 0 0 11 -414,-0.2 -4,-0.1 1,-0.1 -414,-0.1 0.004 94.2 -77.7 -49.2 144.9 43.0 22.3 15.8 751 303 C P S S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.044 115.0 38.1 -43.8 140.0 42.3 26.0 14.9 752 304 C V + 0 0 3 -3,-0.1 -6,-1.7 -7,-0.1 -2,-0.1 0.929 59.9 158.7 81.4 51.0 43.0 28.4 17.8 753 305 C P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 0.638 70.1 31.4 -77.3 -15.7 46.1 26.8 19.3 754 306 C T S > S- 0 0 38 1,-0.1 4,-0.9 -216,-0.0 -219,-0.1 -0.966 87.3-110.1-140.0 163.4 47.0 30.1 20.9 755 307 C F H >> S+ 0 0 0 -2,-0.3 4,-1.4 1,-0.2 3,-0.7 0.846 111.8 57.8 -67.4 -34.7 45.1 33.1 22.2 756 308 C L H >> S+ 0 0 21 1,-0.3 4,-1.3 2,-0.2 3,-1.2 0.990 101.8 54.6 -66.2 -41.2 46.0 35.5 19.6 757 309 C D H 3> S+ 0 0 60 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.791 100.0 66.4 -58.9 -21.0 44.6 33.3 16.9 758 310 C L H <<>S+ 0 0 6 -4,-0.9 5,-0.9 -3,-0.7 -1,-0.3 0.947 95.6 53.0 -62.5 -44.7 41.5 33.4 19.0 759 311 C L H <<5S+ 0 0 6 -4,-1.4 4,-0.2 -3,-1.2 -1,-0.2 0.942 119.6 33.3 -59.6 -51.2 41.0 37.0 18.3 760 312 C E H X5S+ 0 0 72 -4,-1.3 4,-2.2 3,-0.1 5,-0.2 0.983 120.8 51.2 -66.2 -59.8 41.2 36.6 14.6 761 313 C Y T <5S+ 0 0 77 -4,-3.2 2,-5.1 2,-0.2 -20,-0.1 -0.115 110.2 26.3 -71.7 174.6 39.6 33.1 14.4 762 314 C D T 45S+ 0 0 5 1,-0.2 4,-0.3 -23,-0.1 -1,-0.2 -0.217 126.5 54.8 66.6 -57.1 36.3 32.2 16.0 763 315 C A T >>