==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 11-NOV-98 1B0L . COMPND 2 MOLECULE: PROTEIN (LACTOFERRIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.N.BAKER,G.B.JAMESON,X.SUN . 691 1 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 41 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 1 3 1 1 2 4 5 1 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 PARALLEL BRIDGES PER LADDER . 0 1 6 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 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 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 81 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.7 -27.5 11.7 34.2 2 2 A R + 0 0 172 1,-0.2 3,-0.3 2,-0.1 264,-0.0 0.685 360.0 56.4 -87.2 -22.2 -26.6 12.8 30.7 3 3 A R S S+ 0 0 173 1,-0.2 -1,-0.2 263,-0.0 3,-0.1 -0.040 73.1 107.1-102.8 32.1 -27.5 9.5 28.9 4 4 A R S S- 0 0 175 -3,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.953 96.4 -35.9 -67.3 -52.8 -31.1 9.5 30.1 5 5 A S - 0 0 36 -3,-0.3 2,-0.6 27,-0.1 -1,-0.3 -0.882 55.0-117.7-173.9 137.6 -32.5 10.4 26.7 6 6 A V E -a 34 0A 5 27,-1.3 29,-2.7 -2,-0.3 2,-0.9 -0.763 25.1-147.7 -88.1 122.1 -31.6 12.6 23.7 7 7 A Q E -a 35 0A 63 -2,-0.6 48,-3.4 27,-0.2 49,-1.6 -0.775 13.1-161.8 -93.1 101.8 -34.1 15.3 23.1 8 8 A W E -ab 36 56A 2 27,-2.8 29,-2.3 -2,-0.9 2,-0.5 -0.705 12.0-136.2 -86.0 129.2 -34.3 16.0 19.4 9 9 A a E -a 37 0A 1 47,-2.6 49,-0.3 -2,-0.4 2,-0.2 -0.723 18.2-162.7 -87.3 125.7 -35.8 19.4 18.4 10 10 A T E -a 38 0A 0 27,-3.2 29,-1.2 -2,-0.5 31,-0.3 -0.634 15.0-159.4-101.6 163.5 -38.3 19.4 15.5 11 11 A V S S+ 0 0 32 -2,-0.2 2,-0.3 29,-0.2 27,-0.1 0.225 73.0 28.9-124.8 8.4 -39.4 22.4 13.5 12 12 A S S > S- 0 0 23 1,-0.1 4,-2.0 29,-0.1 5,-0.1 -0.975 80.9-103.6-162.1 167.7 -42.6 21.1 12.0 13 13 A Q H > S+ 0 0 161 -2,-0.3 4,-2.7 2,-0.2 3,-0.2 0.974 117.6 43.8 -69.4 -56.4 -45.5 18.6 12.7 14 14 A P H > S+ 0 0 37 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.811 112.2 57.3 -63.1 -22.2 -44.5 15.8 10.3 15 15 A E H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.950 108.1 45.4 -67.1 -44.7 -41.0 16.2 11.6 16 16 A A H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.858 113.0 52.8 -61.0 -36.9 -42.4 15.7 15.1 17 17 A T H X S+ 0 0 66 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.972 110.5 44.0 -65.8 -52.6 -44.3 12.7 13.7 18 18 A K H X S+ 0 0 8 -4,-3.0 4,-2.7 1,-0.3 -2,-0.2 0.921 111.7 55.6 -58.9 -40.0 -41.3 11.1 12.1 19 19 A b H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.889 105.2 52.7 -57.9 -39.1 -39.4 11.8 15.3 20 20 A F H X S+ 0 0 56 -4,-1.9 4,-1.8 -3,-0.3 -1,-0.2 0.875 108.5 48.9 -67.5 -38.0 -42.0 9.9 17.3 21 21 A Q H X S+ 0 0 85 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.932 109.9 52.8 -63.2 -46.6 -41.7 6.9 15.0 22 22 A W H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.935 107.0 53.3 -49.0 -52.9 -38.0 7.0 15.4 23 23 A Q H X S+ 0 0 62 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.869 111.4 44.4 -55.9 -41.9 -38.4 7.1 19.2 24 24 A R H X S+ 0 0 105 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.918 112.2 50.6 -73.8 -41.2 -40.6 3.9 19.2 25 25 A N H < S+ 0 0 9 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.913 108.2 53.6 -62.6 -38.3 -38.4 2.0 16.8 26 26 A M H ><>S+ 0 0 1 -4,-2.7 5,-3.3 -5,-0.2 3,-0.9 0.937 116.9 37.0 -61.8 -43.5 -35.3 2.8 18.9 27 27 A R H ><5S+ 0 0 168 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.816 108.6 67.6 -70.5 -30.3 -37.2 1.4 22.0 28 28 A K T 3<5S+ 0 0 148 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.523 113.6 29.5 -65.2 -10.0 -38.6 -1.2 19.6 29 29 A V T < 5S- 0 0 49 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.145 116.0-107.0-135.9 13.8 -35.0 -2.6 19.3 30 30 A R T < 5 + 0 0 231 -3,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.941 69.8 147.1 55.8 53.0 -33.7 -1.7 22.7 31 31 A G < - 0 0 19 -5,-3.3 -1,-0.1 1,-0.1 239,-0.1 -0.529 60.6 -61.0-107.2 176.5 -31.4 1.1 21.4 32 32 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.416 68.5-119.5 -60.4 129.7 -30.3 4.4 22.9 33 33 A P - 0 0 60 0, 0.0 -27,-1.3 0, 0.0 2,-0.3 -0.123 28.5-168.5 -76.7 167.2 -33.5 6.4 23.5 34 34 A V E -a 6 0A 3 -29,-0.2 2,-0.3 -11,-0.2 -27,-0.2 -0.972 6.2-156.0-156.3 142.6 -34.7 9.7 22.1 35 35 A S E -a 7 0A 21 -29,-2.7 -27,-2.8 -2,-0.3 2,-0.6 -0.792 18.9-123.8-118.1 160.6 -37.5 12.2 22.8 36 36 A b E -a 8 0A 16 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.912 17.2-168.7-119.0 113.2 -39.1 14.9 20.6 37 37 A I E -a 9 0A 26 -29,-2.3 -27,-3.2 -2,-0.6 2,-0.5 -0.756 19.3-137.4 -92.1 136.8 -39.3 18.6 21.3 38 38 A K E +a 10 0A 117 -2,-0.4 2,-0.2 -29,-0.2 -27,-0.2 -0.856 34.6 147.2-105.0 129.1 -41.6 20.7 19.2 39 39 A R - 0 0 77 -29,-1.2 0, 0.0 -2,-0.5 0, 0.0 -0.792 43.5-128.5-137.5-176.6 -40.8 24.1 17.8 40 40 A D S S+ 0 0 123 -2,-0.2 -29,-0.2 1,-0.2 3,-0.1 0.321 80.4 24.2-123.6 7.7 -41.7 26.0 14.6 41 41 A S S > S- 0 0 33 -31,-0.3 4,-1.8 1,-0.1 -1,-0.2 -0.983 75.1-108.3-165.5 156.8 -38.4 27.1 13.2 42 42 A P H > S+ 0 0 19 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.893 118.5 55.2 -54.5 -41.4 -34.6 26.5 13.2 43 43 A I H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 105.4 50.8 -61.5 -42.9 -34.1 29.6 15.3 44 44 A Q H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.890 111.2 49.6 -62.2 -35.9 -36.5 28.4 18.0 45 45 A a H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.911 109.0 51.0 -71.2 -40.1 -34.6 25.1 18.1 46 46 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.916 114.3 45.0 -59.9 -43.4 -31.3 26.8 18.4 47 47 A Q H X S+ 0 0 79 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.960 111.6 52.1 -63.9 -51.7 -32.7 28.8 21.3 48 48 A A H <>S+ 0 0 1 -4,-3.1 5,-2.6 1,-0.2 6,-0.7 0.930 112.7 44.5 -48.9 -54.5 -34.3 25.7 22.9 49 49 A I H ><5S+ 0 0 0 -4,-2.8 3,-1.6 4,-0.2 -1,-0.2 0.900 109.0 58.0 -60.0 -41.8 -31.0 23.8 22.8 50 50 A A H 3<5S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 109.1 45.2 -56.7 -37.7 -29.1 26.8 24.1 51 51 A E T 3<5S- 0 0 98 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 -0.116 119.5-104.9-105.9 38.8 -31.3 27.0 27.2 52 52 A N T < 5S+ 0 0 113 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.688 92.2 112.5 56.1 28.5 -31.2 23.2 27.9 53 53 A R S > - 0 0 9 -2,-0.3 4,-1.3 193,-0.2 3,-1.0 -0.362 45.9 -99.4 -67.5 156.9 -28.0 23.8 7.1 61 61 A G H 3> S+ 0 0 0 190,-0.3 4,-1.7 1,-0.3 3,-0.1 0.811 122.1 56.8 -49.5 -38.4 -24.6 25.6 6.9 62 62 A G H 3> S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.842 110.6 42.4 -68.7 -33.1 -26.1 29.0 7.1 63 63 A F H <> S+ 0 0 11 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.541 105.2 64.7 -90.2 -8.8 -27.9 28.3 10.3 64 64 A I H X S+ 0 0 2 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.885 103.9 48.2 -72.4 -39.8 -24.8 26.6 11.7 65 65 A Y H >X S+ 0 0 17 -4,-1.7 3,-0.8 1,-0.2 4,-0.6 0.949 113.0 46.9 -57.9 -53.6 -23.2 30.0 11.5 66 66 A E H >< S+ 0 0 21 -4,-1.3 3,-1.2 1,-0.2 7,-0.3 0.897 110.3 53.2 -54.5 -45.3 -26.2 31.6 13.2 67 67 A A H 3< S+ 0 0 0 -4,-1.8 7,-3.1 1,-0.3 -1,-0.2 0.685 103.9 57.0 -68.8 -21.3 -26.2 28.9 15.9 68 68 A G H << S+ 0 0 16 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.563 88.8 94.4 -90.3 -9.2 -22.5 29.4 16.7 69 69 A L S -I 227 0D 75 106,-0.5 2,-0.9 -2,-0.3 3,-0.9 -0.679 40.0-113.0 -88.6 140.2 -34.1 25.1 -18.3 100 100 A K T 3 S+ 0 0 88 126,-2.7 3,-0.1 -2,-0.3 -1,-0.1 -0.591 99.5 53.1 -72.5 105.1 -32.5 23.9 -21.5 101 101 A G T 3 S+ 0 0 63 -2,-0.9 -1,-0.2 1,-0.6 126,-0.0 -0.096 80.4 91.2 164.4 -48.4 -33.6 26.4 -24.1 102 102 A G < - 0 0 41 -3,-0.9 -1,-0.6 1,-0.1 -4,-0.0 -0.028 61.7-145.4 -59.9 174.5 -32.9 29.9 -22.9 103 103 A S + 0 0 107 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.031 54.5 115.4-139.6 26.3 -29.5 31.5 -23.8 104 104 A F - 0 0 41 2,-0.0 2,-0.2 5,-0.0 5,-0.1 -0.731 49.7-145.1 -97.1 149.9 -28.6 33.6 -20.8 105 105 A Q > - 0 0 36 -2,-0.3 3,-2.6 125,-0.1 125,-0.1 -0.571 35.5 -91.6-106.3 172.5 -25.6 33.0 -18.6 106 106 A L G > S+ 0 0 10 125,-0.5 3,-0.7 1,-0.3 124,-0.0 0.838 127.1 54.9 -50.5 -36.8 -25.0 33.4 -14.9 107 107 A N G 3 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.341 102.7 59.9 -82.2 8.4 -23.7 37.0 -15.5 108 108 A E G < + 0 0 102 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.1 -0.153 65.4 113.7-125.5 35.3 -26.9 37.8 -17.4 109 109 A L X + 0 0 1 -3,-0.7 3,-2.2 2,-0.1 -1,-0.1 0.476 35.0 129.9 -92.2 -1.7 -29.6 37.3 -14.7 110 110 A Q T 3 S+ 0 0 147 1,-0.3 43,-0.2 -3,-0.1 3,-0.1 -0.303 80.0 10.5 -60.3 134.1 -30.8 40.9 -14.3 111 111 A G T 3 S+ 0 0 41 41,-2.7 -1,-0.3 1,-0.3 42,-0.2 0.502 103.5 123.5 78.9 6.4 -34.6 41.2 -14.5 112 112 A L < - 0 0 38 -3,-2.2 42,-1.3 40,-0.2 43,-1.0 -0.338 65.5-102.9 -93.7 177.5 -35.1 37.4 -14.4 113 113 A K E -j 155 0D 71 41,-0.2 92,-4.0 40,-0.2 93,-1.9 -0.891 36.1-164.3-109.3 127.4 -37.1 35.2 -12.0 114 114 A S E -jk 156 206D 0 41,-1.3 43,-1.7 -2,-0.5 2,-0.5 -0.865 14.0-154.9-116.9 143.3 -35.3 33.2 -9.3 115 115 A c E -jk 157 207D 0 91,-2.9 93,-2.6 -2,-0.4 2,-0.3 -0.970 18.2-171.9-112.5 125.8 -36.2 30.3 -7.0 116 116 A H E - k 0 208D 1 41,-2.6 75,-0.2 -2,-0.5 3,-0.1 -0.906 29.8-133.8-121.2 145.9 -34.4 30.0 -3.6 117 117 A T S S- 0 0 0 91,-0.8 74,-2.9 -2,-0.3 2,-0.2 0.863 79.9 -48.3 -64.1 -38.9 -34.4 27.3 -1.0 118 118 A G > - 0 0 0 72,-0.2 3,-1.6 3,-0.1 -1,-0.3 -0.850 67.2 -71.9 173.9 155.0 -34.8 29.8 1.8 119 119 A L T 3 S+ 0 0 21 40,-3.2 6,-0.1 1,-0.3 3,-0.1 -0.396 116.6 6.9 -59.0 134.7 -33.4 33.0 3.2 120 120 A R T 3 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.457 94.6 133.9 72.5 4.8 -30.0 32.6 4.7 121 121 A R <>> - 0 0 23 -3,-1.6 5,-2.3 -59,-0.1 4,-1.6 -0.505 62.5-118.1 -81.1 157.6 -29.6 29.0 3.6 122 122 A T T 4>S+ 0 0 1 3,-0.2 5,-2.4 2,-0.2 3,-0.3 0.975 105.9 23.8 -60.5 -67.1 -26.3 27.9 2.0 123 123 A A T 45S+ 0 0 2 1,-0.2 -1,-0.2 3,-0.1 124,-0.0 0.783 126.9 50.4 -73.1 -28.1 -27.2 26.9 -1.6 124 124 A G T 45S- 0 0 0 -8,-0.1 -1,-0.2 -6,-0.1 -2,-0.2 0.643 133.1 -11.1 -85.7 -17.9 -30.4 28.9 -1.6 125 125 A W T X>S+ 0 0 5 -4,-1.6 4,-2.6 -3,-0.3 5,-0.5 0.492 119.8 58.0-145.2 -66.2 -29.0 32.3 -0.5 126 126 A N H >5S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.927 117.4 45.1 -61.6 -44.2 -25.8 32.8 -5.0 129 129 A I H X5S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.882 113.0 52.1 -68.3 -33.1 -26.1 36.3 -3.5 130 130 A G H << S+ 0 0 2 -4,-1.9 3,-2.2 -5,-0.2 4,-0.5 0.523 80.0 107.0 -93.4 -8.3 -23.9 37.9 -7.7 133 133 A R G >X S+ 0 0 25 -4,-1.0 3,-2.2 -3,-0.4 4,-0.7 0.809 73.0 57.3 -39.6 -52.5 -22.8 40.8 -5.4 134 134 A P G 34 S+ 0 0 87 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.804 110.3 46.9 -55.8 -26.6 -20.8 42.7 -8.1 135 135 A F G <4 S+ 0 0 82 -3,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.508 97.5 74.9 -88.4 -9.0 -24.1 42.8 -10.2 136 136 A L T <4 S- 0 0 12 -3,-2.2 -1,-0.2 -4,-0.5 3,-0.1 0.740 79.8-149.7 -81.3 -25.3 -26.2 43.9 -7.2 137 137 A N < + 0 0 151 -4,-0.7 2,-0.5 -3,-0.3 -2,-0.1 0.928 32.1 171.2 51.7 47.2 -25.1 47.6 -7.1 138 138 A W - 0 0 21 -5,-0.4 197,-0.3 1,-0.1 -1,-0.2 -0.786 32.6-152.9 -90.5 121.9 -25.7 47.5 -3.3 139 139 A T - 0 0 119 -2,-0.5 -1,-0.1 1,-0.3 195,-0.1 0.585 46.1-121.5 -72.6 -6.2 -24.4 50.6 -1.5 140 140 A G > + 0 0 0 3,-0.1 3,-1.1 194,-0.1 -1,-0.3 -0.425 54.6 19.7 98.9-175.5 -24.0 48.5 1.6 141 141 A P T 3 S+ 0 0 67 0, 0.0 193,-0.0 0, 0.0 191,-0.0 -0.266 102.9 39.4 -60.6 154.4 -25.5 48.9 5.1 142 142 A P T 3 S+ 0 0 133 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.999 105.4 78.1 -87.0 3.4 -27.7 50.1 6.4 143 143 A E S < S- 0 0 57 -3,-1.1 -3,-0.1 1,-0.1 2,-0.1 -0.567 92.3-117.1 -67.3 123.7 -29.7 49.2 3.4 144 144 A P >> - 0 0 49 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.390 13.2-125.6 -65.5 134.2 -30.4 45.5 3.8 145 145 A I H 3> S+ 0 0 12 1,-0.3 4,-1.5 186,-0.3 3,-0.4 0.770 107.3 70.1 -50.7 -29.4 -28.9 43.3 1.1 146 146 A E H 3> S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.926 91.3 58.8 -54.0 -45.2 -32.4 41.9 0.5 147 147 A A H <> S+ 0 0 13 -3,-1.7 4,-1.1 1,-0.3 -1,-0.2 0.879 104.3 49.9 -53.9 -41.8 -33.5 45.2 -1.0 148 148 A A H X S+ 0 0 2 -4,-0.7 4,-1.6 -3,-0.4 -1,-0.3 0.858 111.1 49.9 -67.0 -33.2 -30.8 45.0 -3.7 149 149 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 -2,-0.2 0.903 105.7 55.3 -71.6 -41.1 -31.9 41.5 -4.5 150 150 A A H < S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.761 112.4 44.9 -61.0 -26.3 -35.6 42.6 -4.8 151 151 A R H < S+ 0 0 141 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.797 112.8 50.8 -87.7 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163.9-102.9 153.9 -25.5 20.9 16.4 257 257 A A E - D 0 75B 0 -182,-2.0 -182,-2.6 -2,-0.3 -201,-0.1 -0.941 46.7 -69.4-151.4 171.0 -25.4 20.7 20.2 258 258 A R E - D 0 74B 11 -203,-0.4 4,-0.3 -2,-0.3 -184,-0.2 -0.231 36.0-133.8 -61.7 160.3 -24.1 22.9 23.1 259 259 A S S S+ 0 0 63 -186,-0.6 -1,-0.1 2,-0.1 -185,-0.1 0.650 96.9 38.9 -87.8 -17.4 -20.4 23.3 23.4 260 260 A V S S- 0 0 116 1,-0.1 2,-0.7 3,-0.0 3,-0.1 0.851 135.1 -0.9 -93.9 -88.9 -20.4 22.6 27.2 261 261 A N S S+ 0 0 114 1,-0.2 -3,-0.1 2,-0.1 -2,-0.1 -0.609 81.6 137.1-104.7 66.6 -22.8 20.0 28.4 262 262 A G - 0 0 0 -2,-0.7 -1,-0.2 -4,-0.3 5,-0.1 0.343 68.2-120.9 -95.7 5.0 -24.3 19.0 25.0 263 263 A K > + 0 0 46 -3,-0.1 4,-3.4 3,-0.1 5,-0.2 0.892 49.1 167.0 56.2 39.8 -24.3 15.3 25.6 264 264 A E H > S+ 0 0 35 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.912 72.7 48.7 -50.3 -48.9 -22.1 14.9 22.5 265 265 A D H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.950 113.1 45.7 -59.2 -51.9 -21.3 11.3 23.4 266 266 A A H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.940 114.0 51.9 -56.3 -43.6 -24.9 10.4 24.0 267 267 A I H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.964 112.0 43.2 -59.9 -52.3 -25.7 12.1 20.8 268 268 A W H X S+ 0 0 34 -4,-3.5 4,-2.7 1,-0.2 5,-0.3 0.883 111.3 57.3 -63.4 -33.1 -23.1 10.3 18.8 269 269 A N H X S+ 0 0 40 -4,-2.9 4,-2.1 -5,-0.3 5,-0.3 0.979 108.8 44.2 -59.6 -54.3 -24.1 7.1 20.5 270 270 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.925 114.3 51.1 -53.1 -47.6 -27.7 7.4 19.4 271 271 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.957 108.4 48.9 -60.1 -54.1 -26.7 8.4 15.8 272 272 A R H X S+ 0 0 122 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.906 117.7 42.4 -52.1 -44.5 -24.3 5.5 15.2 273 273 A Q H X S+ 0 0 56 -4,-2.1 4,-2.9 -5,-0.3 5,-0.4 0.944 113.8 50.5 -68.5 -48.7 -26.9 3.0 16.4 274 274 A A H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.3 14,-0.2 0.888 114.3 47.2 -53.7 -40.7 -29.8 4.8 14.6 275 275 A Q H X S+ 0 0 52 -4,-3.2 4,-1.4 -5,-0.2 -2,-0.2 0.930 113.1 46.0 -69.4 -48.3 -27.6 4.7 11.5 276 276 A E H < S+ 0 0 137 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.910 124.9 32.7 -60.5 -43.7 -26.6 1.0 11.8 277 277 A K H < S+ 0 0 75 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.860 136.3 20.0 -84.9 -42.7 -30.1 -0.1 12.5 278 278 A F H < S+ 0 0 1 -4,-2.8 10,-2.6 -5,-0.4 11,-0.5 0.166 95.1 121.2-119.1 16.5 -32.3 2.3 10.5 279 279 A G S >< S- 0 0 1 -4,-1.4 3,-1.1 1,-0.2 4,-0.4 0.300 80.5 -30.2 -61.9-162.1 -29.8 3.5 8.0 280 280 A K T 3 S- 0 0 90 25,-0.4 -1,-0.2 1,-0.3 7,-0.0 -0.420 132.3 -17.2 -59.7 115.4 -30.1 3.2 4.3 281 281 A D T 3 S+ 0 0 117 -2,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.930 96.6 125.9 48.2 59.5 -32.1 0.0 3.7 282 282 A K S < S- 0 0 101 -3,-1.1 -4,-0.1 1,-0.4 -2,-0.1 0.678 81.5 -2.0-106.6 -34.4 -31.6 -1.5 7.1 283 283 A S - 0 0 12 -4,-0.4 -1,-0.4 3,-0.4 3,-0.4 -0.943 53.6-146.0-159.2 137.5 -35.3 -2.0 7.9 284 284 A P S S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.710 95.7 68.8 -78.5 -21.1 -38.5 -1.2 6.0 285 285 A K S S+ 0 0 128 1,-0.2 2,-0.3 -260,-0.0 -260,-0.1 0.844 116.5 13.8 -68.3 -31.0 -40.5 -0.4 9.2 286 286 A F - 0 0 11 -3,-0.4 2,-0.5 -7,-0.1 -3,-0.4 -0.990 61.2-166.8-148.0 139.1 -38.4 2.7 9.7 287 287 A Q > - 0 0 70 -2,-0.3 3,-1.6 3,-0.2 -8,-0.2 -0.949 8.1-161.4-127.5 108.8 -36.0 4.7 7.5 288 288 A L T 3 S+ 0 0 0 -10,-2.6 12,-0.2 -2,-0.5 -9,-0.1 0.870 94.6 38.2 -54.9 -38.7 -33.8 7.3 9.3 289 289 A F T 3 S+ 0 0 8 -11,-0.5 14,-1.6 15,-0.1 2,-0.3 -0.091 101.5 89.0-110.7 33.7 -33.1 9.1 6.0 290 290 A G < - 0 0 19 -3,-1.6 -3,-0.2 12,-0.2 6,-0.1 -0.966 54.8-155.5-130.0 147.3 -36.5 8.8 4.2 291 291 A S - 0 0 31 -2,-0.3 4,-0.1 4,-0.2 6,-0.0 -0.937 30.4 -98.3-121.3 146.8 -39.5 11.0 4.3 292 292 A P > - 0 0 74 0, 0.0 3,-2.9 0, 0.0 6,-0.0 -0.192 55.8 -82.6 -58.1 156.9 -43.2 10.1 3.6 293 293 A S T 3 S+ 0 0 125 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.746 126.4 33.9 -30.0 -75.0 -44.5 10.9 0.1 294 294 A G T 3 S+ 0 0 59 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.361 111.2 83.8 -72.6 8.4 -45.4 14.6 0.2 295 295 A Q < - 0 0 51 -3,-2.9 2,-0.3 -4,-0.1 -4,-0.2 -0.779 55.7-170.2-113.5 158.0 -42.5 15.2 2.5 296 296 A K + 0 0 98 -2,-0.3 -6,-0.1 1,-0.1 5,-0.1 -0.979 62.8 0.4-146.9 133.3 -38.8 15.9 1.9 297 297 A D - 0 0 25 -2,-0.3 2,-0.6 1,-0.2 4,-0.1 0.915 69.2-178.5 62.2 50.1 -35.8 16.1 4.2 298 298 A L S S- 0 0 8 1,-0.1 2,-2.1 -284,-0.1 -1,-0.2 -0.755 70.4 -25.2 -84.6 117.7 -37.5 15.4 7.6 299 299 A L S S+ 0 0 9 -2,-0.6 2,-0.3 -241,-0.1 -241,-0.3 -0.309 141.8 23.6 78.1 -52.2 -35.0 15.6 10.5 300 300 A F S S- 0 0 2 -2,-2.1 2,-0.1 -12,-0.2 3,-0.0 -0.912 101.9 -80.2-134.2 161.8 -32.1 14.7 8.1 301 301 A K > - 0 0 7 -2,-0.3 3,-1.5 -4,-0.1 2,-0.1 -0.411 49.3-117.2 -60.2 131.8 -31.5 15.0 4.4 302 302 A D T 3 S+ 0 0 14 1,-0.2 -12,-0.2 -2,-0.1 3,-0.1 -0.497 101.3 27.2 -65.7 144.7 -33.2 12.2 2.5 303 303 A S T 3 S+ 0 0 78 -14,-1.6 -1,-0.2 1,-0.3 -13,-0.1 0.457 84.8 138.7 76.0 3.5 -30.6 10.0 0.6 304 304 A A < - 0 0 2 -3,-1.5 -1,-0.3 -15,-0.2 -222,-0.2 -0.422 44.1-153.1 -62.9 156.0 -28.0 10.9 3.2 305 305 A I - 0 0 35 -224,-2.3 -25,-0.4 1,-0.3 2,-0.3 0.564 52.5 -53.5-116.2 -8.7 -26.1 7.7 3.9 306 306 A G E -E 81 0B 2 -225,-0.7 -225,-2.7 -27,-0.1 -1,-0.3 -0.987 57.6 -78.0 166.2-166.3 -24.8 8.2 7.5 307 307 A F E -E 80 0B 15 -2,-0.3 2,-0.4 -227,-0.2 -227,-0.2 -0.922 18.8-152.3-125.8 155.8 -22.9 10.5 9.8 308 308 A S E -E 79 0B 29 -229,-1.9 -229,-3.2 -2,-0.3 2,-0.3 -0.995 29.8-116.4-123.5 131.0 -19.3 11.3 10.6 309 309 A R E -E 78 0B 105 -2,-0.4 -231,-0.3 -231,-0.2 -232,-0.1 -0.496 24.9-131.7 -70.3 127.1 -18.3 12.6 14.1 310 310 A V - 0 0 3 -233,-2.1 375,-0.1 -2,-0.3 -1,-0.1 -0.691 29.0-111.2 -82.0 120.8 -16.9 16.1 14.1 311 311 A P > - 0 0 12 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.120 26.8-114.3 -54.4 149.7 -13.6 16.3 16.1 312 312 A P T 3 S+ 0 0 100 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.745 107.6 62.2 -60.2 -33.0 -13.8 18.2 19.3 313 313 A R T 3 S+ 0 0 66 368,-0.2 2,-0.4 2,-0.0 5,-0.1 0.698 83.6 98.2 -71.2 -18.2 -11.5 21.1 18.5 314 314 A I < - 0 0 0 -3,-1.4 2,-0.2 367,-0.1 -4,-0.0 -0.590 50.4-178.4 -82.9 125.2 -13.8 22.3 15.6 315 315 A D > - 0 0 48 -2,-0.4 4,-2.9 -240,-0.1 5,-0.2 -0.416 49.0 -82.0-105.8-173.1 -16.2 25.1 16.2 316 316 A S H > S+ 0 0 14 -242,-0.4 4,-2.4 1,-0.2 5,-0.2 0.902 129.3 48.5 -61.4 -42.8 -18.8 26.7 13.9 317 317 A G H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 8,-0.2 0.916 113.4 45.4 -61.2 -49.3 -16.2 28.9 12.2 318 318 A L H 4 S+ 0 0 5 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.933 112.8 52.7 -61.8 -43.8 -13.7 26.0 11.7 319 319 A Y H < S+ 0 0 10 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.927 108.3 48.9 -55.2 -51.8 -16.5 23.8 10.4 320 320 A L H < S- 0 0 5 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.762 109.6-130.3 -63.5 -28.0 -17.7 26.3 7.8 321 321 A G X - 0 0 27 -4,-1.4 4,-3.2 -3,-0.3 5,-0.3 0.192 22.7 -83.1 85.8 149.0 -14.2 26.9 6.5 322 322 A S H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.882 125.2 50.0 -58.8 -43.5 -12.4 30.2 5.9 323 323 A G H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.975 119.7 33.6 -58.0 -57.3 -13.9 30.8 2.5 324 324 A Y H > S+ 0 0 23 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.929 116.0 56.0 -70.6 -43.0 -17.5 30.2 3.4 325 325 A F H X S+ 0 0 13 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.935 113.2 39.6 -55.2 -51.0 -17.3 31.6 7.0 326 326 A T H X S+ 0 0 37 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.813 110.5 60.1 -75.1 -25.2 -15.9 35.0 5.9 327 327 A A H X S+ 0 0 45 -4,-1.6 4,-0.8 -5,-0.3 -1,-0.2 0.900 106.0 48.2 -64.4 -41.0 -18.3 35.1 2.9 328 328 A I H >< S+ 0 0 2 -4,-2.3 3,-0.9 2,-0.2 4,-0.2 0.941 113.2 46.5 -63.0 -48.8 -21.2 34.9 5.2 329 329 A Q H >< S+ 0 0 53 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.915 106.0 60.9 -58.7 -42.9 -19.9 37.7 7.4 330 330 A N H >< S+ 0 0 26 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.749 85.5 76.8 -56.4 -27.2 -19.1 39.8 4.4 331 331 A L T << S+ 0 0 14 -3,-0.9 -1,-0.3 -4,-0.8 -186,-0.3 0.646 96.2 47.9 -63.6 -14.2 -22.8 39.8 3.4 332 332 A R T < S+ 0 0 110 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.046 102.5 83.3-112.3 24.2 -23.3 42.4 6.1 333 333 A K S < S- 0 0 58 -3,-2.2 2,-0.1 -193,-0.1 -193,-0.1 -0.934 78.4-113.4-127.2 151.3 -20.4 44.6 5.1 334 334 A S > - 0 0 23 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.372 33.9-110.7 -75.2 160.6 -19.9 47.3 2.5 335 335 A E H > S+ 0 0 105 -197,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.690 119.6 53.0 -68.0 -13.6 -17.5 46.7 -0.4 336 336 A E H > S+ 0 0 136 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.843 107.7 47.8 -88.0 -36.1 -15.2 49.2 1.1 337 337 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.871 114.3 48.5 -69.6 -35.6 -15.1 47.6 4.5 338 338 A V H X S+ 0 0 14 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.911 111.7 48.8 -69.2 -42.0 -14.5 44.3 2.8 339 339 A A H X S+ 0 0 56 -4,-1.3 4,-0.9 -5,-0.2 -2,-0.2 0.790 109.5 53.4 -67.6 -29.1 -11.7 45.7 0.6 340 340 A A H X S+ 0 0 42 -4,-1.5 4,-1.3 2,-0.2 3,-0.3 0.915 109.7 46.3 -72.0 -42.5 -10.1 47.4 3.7 341 341 A R H < S+ 0 0 62 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 108.7 56.8 -68.7 -30.7 -9.9 44.1 5.6 342 342 A R H < S+ 0 0 159 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 110.3 46.1 -67.5 -26.8 -8.6 42.4 2.5 343 343 A A H < S+ 0 0 39 -4,-0.9 2,-0.2 -3,-0.3 -2,-0.2 0.715 99.0 79.6 -89.6 -23.7 -5.8 44.9 2.5 344 344 A R S < S- 0 0 88 -4,-1.3 2,-0.6 -3,-0.1 25,-0.2 -0.595 71.9-133.9 -91.2 150.5 -4.8 44.8 6.1 345 345 A V E -m 369 0E 1 23,-3.7 25,-2.7 -2,-0.2 2,-0.8 -0.893 12.2-157.9-103.7 117.7 -2.6 42.2 7.8 346 346 A V E -m 370 0E 12 -2,-0.6 44,-3.3 23,-0.2 45,-1.5 -0.822 13.4-156.9 -93.8 107.6 -3.9 40.8 11.1 347 347 A W E -mn 371 391E 2 23,-2.8 25,-3.7 -2,-0.8 2,-0.6 -0.462 10.1-133.8 -79.3 152.2 -0.9 39.3 13.0 348 348 A g E -m 372 0E 1 43,-1.8 25,-0.3 23,-0.2 2,-0.3 -0.939 18.9-160.0-110.5 115.3 -1.5 36.6 15.6 349 349 A A E -m 373 0E 0 23,-2.3 25,-2.4 -2,-0.6 2,-0.7 -0.632 9.3-144.1 -88.3 144.1 0.4 37.2 18.9 350 350 A V E S-m 374 0E 12 -2,-0.3 171,-0.5 23,-0.2 4,-0.4 -0.890 70.6 -10.0-113.6 100.7 1.0 34.4 21.3 351 351 A G S > S- 0 0 5 23,-2.2 4,-1.9 -2,-0.7 3,-0.3 -0.033 92.3 -75.8 91.2 160.4 0.9 35.7 24.8 352 352 A E H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.736 124.4 60.6 -69.9 -24.2 0.7 39.3 26.1 353 353 A Q H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.944 108.8 43.0 -70.6 -42.3 4.4 40.1 25.5 354 354 A E H > S+ 0 0 31 -4,-0.4 4,-2.8 -3,-0.3 -2,-0.2 0.913 114.5 50.3 -65.3 -44.7 4.0 39.4 21.8 355 355 A L H X S+ 0 0 47 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.940 109.0 53.4 -57.0 -47.4 0.7 41.3 21.6 356 356 A R H X S+ 0 0 153 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