==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-MAR-04 1SQY . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.VIKRAM,R.PREM KUMAR,N.SINGH,J.KUMAR,A.S.ETHAYATHULLA,S.SHA . 691 1 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 10.3 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 . 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 23.6 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 2 1 5 5 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 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 7 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 2 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 76 0, 0.0 4,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 43.4 48.0 -12.6 67.3 2 2 A R + 0 0 171 1,-0.2 3,-0.3 2,-0.1 264,-0.0 0.801 360.0 39.9 -70.4 -34.8 44.6 -11.6 65.9 3 3 A R S S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 0.530 77.3 109.4 -96.4 -6.0 42.6 -14.6 67.0 4 4 A R S S- 0 0 181 1,-0.2 2,-0.3 28,-0.1 -1,-0.2 0.841 100.9 -28.3 -34.4 -48.4 44.1 -15.1 70.5 5 5 A S - 0 0 33 -3,-0.3 2,-0.5 -4,-0.2 29,-0.2 -0.930 58.0-126.1-169.7 147.3 40.8 -13.9 71.9 6 6 A V E -a 34 0A 4 27,-1.5 29,-2.6 -2,-0.3 2,-0.8 -0.897 26.4-142.1-100.4 130.3 38.0 -11.7 70.8 7 7 A Q E -a 35 0A 59 -2,-0.5 48,-3.6 27,-0.2 49,-1.8 -0.856 12.9-159.5-101.6 105.1 37.2 -9.0 73.4 8 8 A W E -ab 36 56A 1 27,-2.2 29,-2.1 -2,-0.8 2,-0.6 -0.662 10.4-140.7 -84.0 131.1 33.5 -8.3 73.7 9 9 A a E -a 37 0A 0 47,-2.4 49,-0.3 -2,-0.4 2,-0.2 -0.826 15.9-160.3 -97.2 115.8 32.6 -5.0 75.3 10 10 A T E -a 38 0A 0 27,-2.5 29,-0.7 -2,-0.6 31,-0.2 -0.575 13.2-155.5 -90.9 159.3 29.6 -5.0 77.7 11 11 A V S S+ 0 0 39 -2,-0.2 2,-0.3 29,-0.1 -1,-0.1 0.419 73.9 24.8-111.5 -3.8 27.5 -2.0 78.7 12 12 A S S > S- 0 0 22 1,-0.1 4,-1.7 172,-0.1 27,-0.1 -0.935 80.3-104.3-152.1 171.8 26.2 -3.2 82.0 13 13 A N H > S+ 0 0 114 -2,-0.3 4,-2.4 2,-0.2 3,-0.3 0.965 117.6 49.1 -69.1 -52.0 26.9 -5.5 84.9 14 14 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.879 111.5 53.4 -58.3 -31.5 24.3 -8.2 84.1 15 15 A E H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 105.3 52.7 -67.3 -41.1 25.7 -8.1 80.6 16 16 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.3 -1,-0.2 0.947 107.4 53.5 -58.2 -45.8 29.2 -8.6 82.0 17 17 A T H >X S+ 0 0 66 -4,-2.4 4,-1.8 1,-0.2 3,-1.2 0.960 110.0 45.0 -52.9 -57.9 27.9 -11.7 83.8 18 18 A K H 3X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.3 5,-0.3 0.892 108.6 58.1 -55.9 -37.9 26.5 -13.2 80.6 19 19 A b H 3X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.3 0.834 106.9 49.2 -62.6 -29.9 29.6 -12.4 78.8 20 20 A F H X S+ 0 0 70 -4,-1.8 4,-2.5 1,-0.2 3,-0.5 0.951 110.2 50.8 -61.6 -48.8 29.2 -17.5 81.2 22 22 A W H 3X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.895 106.0 58.0 -55.0 -39.8 29.7 -17.4 77.4 23 23 A Q H 3< S+ 0 0 65 -4,-1.2 4,-0.4 -5,-0.3 -1,-0.3 0.890 110.0 41.3 -59.5 -41.3 33.4 -17.3 78.0 24 24 A R H X< S+ 0 0 117 -4,-1.6 3,-0.6 -3,-0.5 -2,-0.2 0.879 111.1 53.2 -77.6 -38.4 33.4 -20.6 80.0 25 25 A N H >X S+ 0 0 22 -4,-2.5 3,-0.7 1,-0.3 4,-0.5 0.791 107.3 54.4 -66.4 -26.4 31.0 -22.5 77.8 26 26 A M T 3<>S+ 0 0 5 -4,-1.6 5,-2.8 -5,-0.3 -1,-0.3 0.737 111.9 44.4 -75.1 -22.3 33.3 -21.6 74.9 27 27 A R T <45S+ 0 0 173 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.268 109.8 57.1-102.2 9.2 36.0 -23.1 77.1 28 28 A R T <45S+ 0 0 206 -3,-0.7 -2,-0.2 -5,-0.0 -3,-0.2 0.386 115.1 34.0-115.8 -5.2 33.8 -26.2 77.9 29 29 A V T <5S- 0 0 61 -4,-0.5 -2,-0.1 -5,-0.2 -3,-0.1 0.184 114.7-112.0-131.0 6.7 33.2 -27.3 74.3 30 30 A R T 5 + 0 0 233 1,-0.1 -3,-0.2 -5,-0.1 -4,-0.1 0.905 65.4 147.2 61.3 48.6 36.6 -26.2 73.2 31 31 A G < - 0 0 28 -5,-2.8 -1,-0.1 1,-0.2 239,-0.1 -0.345 56.3 -54.8-101.0-176.1 35.5 -23.3 70.9 32 32 A P - 0 0 24 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.265 64.8-104.5 -61.8 149.0 37.1 -20.0 70.1 33 33 A P - 0 0 65 0, 0.0 -27,-1.5 0, 0.0 2,-0.3 -0.479 36.4-177.6 -78.5 145.3 38.1 -17.8 73.0 34 34 A V E -a 6 0A 2 -11,-0.2 2,-0.3 -29,-0.2 -27,-0.2 -0.997 3.9-168.1-142.3 135.5 36.2 -14.7 74.1 35 35 A S E -a 7 0A 21 -29,-2.6 -27,-2.2 -2,-0.3 2,-0.3 -0.913 16.2-127.0-125.8 154.3 37.0 -12.3 76.9 36 36 A b E -a 8 0A 22 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.809 16.7-172.8-111.3 142.6 34.9 -9.5 78.5 37 37 A V E -a 9 0A 25 -29,-2.1 -27,-2.5 -2,-0.3 2,-0.4 -0.915 19.4-134.9-124.0 149.0 35.5 -5.8 79.1 38 38 A K E +a 10 0A 110 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.1 -0.871 32.2 148.0-113.8 148.4 33.2 -3.5 81.1 39 39 A R - 0 0 80 -29,-0.7 -2,-0.0 -2,-0.4 0, 0.0 -0.880 45.0-122.4-156.2 176.1 32.0 0.0 80.4 40 40 A D S S+ 0 0 130 -2,-0.3 -29,-0.1 1,-0.2 3,-0.1 0.363 82.6 25.9-115.6 7.3 28.8 1.8 81.2 41 41 A S S > S- 0 0 35 -31,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.993 73.1-110.1-165.6 157.3 27.5 2.9 77.7 42 42 A P H > S+ 0 0 19 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.930 117.9 54.0 -52.3 -50.6 27.5 2.2 74.0 43 43 A T H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.852 107.9 49.8 -54.1 -38.7 29.6 5.2 73.3 44 44 A Q H > S+ 0 0 66 -3,-0.3 4,-3.8 2,-0.2 -1,-0.2 0.910 111.4 48.3 -68.0 -43.8 32.2 4.0 75.8 45 45 A a H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.901 109.9 53.6 -63.6 -37.1 32.3 0.6 74.1 46 46 A I H X S+ 0 0 2 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.936 113.9 41.2 -62.2 -45.0 32.6 2.4 70.8 47 47 A Q H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 6,-0.2 0.936 111.3 56.5 -67.4 -45.1 35.6 4.3 72.2 48 48 A A H <>S+ 0 0 2 -4,-3.8 5,-2.3 1,-0.2 3,-0.4 0.934 109.7 47.2 -50.0 -49.2 37.0 1.3 73.9 49 49 A I H ><5S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 5,-0.3 0.872 109.8 49.7 -63.4 -43.2 37.0 -0.5 70.5 50 50 A A H 3<5S+ 0 0 34 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.751 107.3 57.9 -69.9 -21.7 38.6 2.3 68.5 51 51 A E T 3<5S- 0 0 113 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 -0.068 117.0-111.0 -98.1 29.8 41.4 2.5 71.1 52 52 A N T < 5S+ 0 0 114 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.672 90.6 112.6 50.2 25.1 42.3 -1.2 70.7 53 53 A R S > - 0 0 9 -2,-0.3 4,-1.3 193,-0.2 3,-1.0 -0.406 45.6 -98.3 -80.0 162.2 21.3 -0.6 67.3 61 61 A G H >> S+ 0 0 1 190,-0.3 4,-1.9 1,-0.3 3,-0.7 0.862 121.5 60.1 -50.8 -43.9 21.1 1.3 64.0 62 62 A G H 3> S+ 0 0 2 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.853 111.2 39.1 -54.3 -41.2 21.3 4.6 65.7 63 63 A F H <> S+ 0 0 11 -3,-1.0 4,-2.3 2,-0.2 -1,-0.3 0.556 103.3 68.1 -88.0 -9.6 24.7 3.9 67.2 64 64 A I H < S+ 0 0 38 -4,-0.9 3,-1.2 1,-0.2 7,-0.3 0.870 109.7 57.7 -67.3 -41.8 27.6 7.2 65.7 67 67 A A H 3< S+ 0 0 0 -4,-2.3 7,-3.4 1,-0.2 -1,-0.2 0.659 103.3 53.9 -66.2 -16.7 30.2 4.4 65.6 68 68 A G T 3< S+ 0 0 16 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.566 89.7 102.9 -95.1 -7.2 31.1 5.1 62.0 69 69 A L S <> S- 0 0 67 -3,-1.2 4,-2.4 -4,-0.4 3,-0.5 -0.261 87.1 -59.1 -77.0 165.3 31.8 8.8 62.4 70 70 A A T 4 S+ 0 0 69 1,-0.2 -4,-0.0 2,-0.2 -3,-0.0 0.546 123.3 26.4 -2.8-100.0 35.2 10.6 62.6 71 71 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.888 131.7 36.8 -47.9 -51.0 37.4 9.4 65.5 72 72 A Y T 4 + 0 0 68 -3,-0.5 -2,-0.2 -6,-0.2 -4,-0.1 0.963 66.8 176.5 -69.2 -62.9 35.9 5.9 65.6 73 73 A K < + 0 0 130 -4,-2.4 186,-0.7 -7,-0.3 -5,-0.3 0.871 21.6 166.9 54.5 42.2 35.1 4.8 62.0 74 74 A L E -D 258 0B 6 -7,-3.4 242,-0.4 -5,-0.2 184,-0.2 -0.335 20.7-148.9 -78.7 166.3 33.9 1.4 63.0 75 75 A R E -D 257 0B 21 182,-3.0 182,-2.0 240,-0.1 2,-0.3 -0.961 19.1-107.6-136.2 150.1 32.0 -0.9 60.5 76 76 A P E +D 256 0B 1 0, 0.0 180,-0.2 0, 0.0 3,-0.1 -0.628 34.5 170.9 -74.6 139.3 29.4 -3.6 60.9 77 77 A V E + 0 0 5 178,-2.5 233,-2.3 1,-0.3 2,-0.3 0.553 66.0 27.9-122.1 -20.0 30.7 -7.1 60.3 78 78 A A E -DE 255 309B 0 177,-1.2 177,-2.8 231,-0.2 -1,-0.3 -0.984 66.4-153.0-147.5 130.7 27.8 -9.2 61.4 79 79 A A E -DE 254 308B 0 229,-2.4 229,-1.9 -2,-0.3 175,-0.2 -0.740 23.9-114.0-102.9 154.8 24.0 -8.6 61.4 80 80 A E E - E 0 307B 0 173,-2.3 2,-0.4 -2,-0.3 227,-0.2 -0.613 28.0-139.2 -81.2 147.6 21.5 -10.1 63.7 81 81 A V E + E 0 306B 18 225,-2.3 224,-2.6 -2,-0.2 225,-0.6 -0.916 25.3 176.2-109.4 135.0 18.9 -12.4 62.0 82 82 A Y E +F 89 0C 10 7,-3.0 7,-2.0 -2,-0.4 2,-0.3 -0.597 38.7 52.6-123.0-170.6 15.3 -12.2 63.0 83 83 A G E S-F 88 0C 32 5,-0.2 2,-0.2 -2,-0.2 -2,-0.0 -0.692 95.8 -47.8 84.3-135.1 11.9 -13.8 62.0 84 84 A T - 0 0 71 3,-1.4 221,-0.1 -2,-0.3 -2,-0.1 -0.744 49.3-101.0-128.3 175.6 11.9 -17.6 61.8 85 85 A E S S+ 0 0 119 -2,-0.2 -1,-0.0 1,-0.2 -3,-0.0 0.827 123.3 51.2 -69.1 -30.2 14.0 -20.3 60.2 86 86 A R S S+ 0 0 212 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.846 127.9 20.0 -75.2 -36.1 11.6 -20.6 57.4 87 87 A Q S S- 0 0 140 2,-0.0 -3,-1.4 -5,-0.0 -1,-0.3 -0.681 79.4-178.7-139.1 83.4 11.7 -16.8 56.7 88 88 A P E -F 83 0C 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.445 4.5-171.1 -75.4 150.5 14.7 -15.1 58.2 89 89 A R E -F 82 0C 48 -7,-2.0 -7,-3.0 -2,-0.1 -2,-0.0 -0.994 28.1-152.7-148.6 139.9 15.2 -11.4 57.8 90 90 A T S S+ 0 0 27 -2,-0.3 162,-1.6 -9,-0.2 2,-0.3 -0.278 82.5 60.7-104.1 45.2 18.0 -9.0 58.6 91 91 A H E -G 251 0D 20 160,-0.3 2,-0.3 2,-0.0 -9,-0.1 -0.959 61.3-165.7-157.0 165.3 15.6 -6.1 59.1 92 92 A Y E -G 250 0D 0 158,-2.8 158,-2.6 -2,-0.3 2,-0.4 -0.875 24.0-100.6-147.2 179.6 12.7 -5.3 61.4 93 93 A Y E -G 249 0D 17 -2,-0.3 118,-1.3 156,-0.2 2,-0.6 -0.912 14.4-143.9-116.0 137.8 9.8 -2.8 61.7 94 94 A A E +GH 248 210D 1 154,-2.3 153,-2.7 -2,-0.4 154,-1.1 -0.859 35.0 173.4 -93.4 120.4 9.5 0.3 63.8 95 95 A V E - H 0 209D 3 114,-2.6 114,-1.0 -2,-0.6 2,-0.5 -0.749 34.1-130.5-124.4 172.9 5.9 0.6 64.9 96 96 A A E - H 0 208D 0 134,-0.4 134,-2.4 -2,-0.2 2,-0.4 -0.980 27.9-161.2-125.9 113.3 3.8 2.8 67.2 97 97 A V E +IH 229 207D 1 110,-3.0 110,-2.6 -2,-0.5 2,-0.2 -0.819 14.5 168.8-104.2 134.9 1.7 0.7 69.6 98 98 A V E -IH 228 206D 0 130,-2.4 130,-1.5 -2,-0.4 2,-0.3 -0.716 35.7 -90.3-129.6 179.0 -1.4 2.0 71.5 99 99 A K E > -I 227 0D 81 106,-0.5 3,-0.7 128,-0.2 2,-0.4 -0.743 40.3-107.0 -97.0 146.2 -4.3 0.6 73.5 100 100 A K T 3 S+ 0 0 99 126,-3.7 3,-0.1 -2,-0.3 -1,-0.0 -0.558 99.4 49.7 -69.3 123.7 -7.6 -0.5 72.1 101 101 A G T 3 S+ 0 0 63 1,-0.7 -1,-0.2 -2,-0.4 126,-0.0 -0.340 79.5 90.6 144.6 -59.8 -10.2 2.1 73.1 102 102 A G < - 0 0 41 -3,-0.7 -1,-0.7 1,-0.1 -4,-0.0 -0.088 59.3-149.0 -59.7 171.3 -8.9 5.6 72.3 103 103 A S + 0 0 104 -3,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.413 52.2 120.3-124.7 -2.2 -9.8 7.0 68.9 104 104 A F - 0 0 47 1,-0.1 2,-0.2 4,-0.1 5,-0.1 -0.256 47.7-145.3 -69.1 154.3 -6.9 9.3 68.1 105 105 A Q > - 0 0 31 125,-0.1 3,-2.6 131,-0.0 -1,-0.1 -0.600 33.5 -88.5-114.2 173.4 -4.6 8.8 65.1 106 106 A L G > S+ 0 0 11 125,-0.4 3,-0.7 1,-0.3 -2,-0.1 0.764 126.8 51.7 -52.6 -29.8 -0.9 9.3 64.3 107 107 A N G 3 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.466 104.1 59.5 -89.7 3.4 -1.5 12.9 63.4 108 108 A E G < + 0 0 100 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.071 65.8 111.6-117.1 23.5 -3.3 13.6 66.6 109 109 A L X + 0 0 0 -3,-0.7 3,-2.0 2,-0.1 -1,-0.1 0.506 40.2 126.1 -76.0 -4.0 -0.6 12.8 69.1 110 110 A Q T 3 S+ 0 0 140 1,-0.3 43,-0.2 -3,-0.2 3,-0.1 -0.335 80.3 9.5 -60.1 129.3 -0.2 16.4 70.2 111 111 A G T 3 S+ 0 0 38 41,-2.9 -1,-0.3 1,-0.3 42,-0.2 0.325 102.2 118.3 86.7 -8.7 -0.5 16.7 74.0 112 112 A L < - 0 0 38 -3,-2.0 42,-1.2 40,-0.1 43,-0.8 -0.196 68.8-101.6 -82.8 178.3 -0.5 12.9 74.6 113 113 A K E -j 155 0D 74 40,-0.2 92,-3.1 41,-0.2 93,-1.4 -0.909 37.7-161.7-107.3 130.5 2.0 10.9 76.7 114 114 A S E -jk 156 206D 0 41,-1.6 43,-1.2 -2,-0.4 2,-0.4 -0.791 13.8-153.6-116.2 156.2 4.8 8.9 74.9 115 115 A c E -jk 157 207D 1 91,-1.9 93,-2.4 -2,-0.3 2,-0.3 -0.993 17.8-174.4-127.5 122.8 7.2 6.0 75.7 116 116 A H E - 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0 0 36 3,-0.5 3,-1.3 -4,-0.4 -1,-0.3 -0.947 51.1-154.0-150.9 124.7 22.1 -26.3 75.0 284 284 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.843 96.5 69.3 -63.4 -34.3 20.0 -25.7 78.2 285 285 A A T 3 S+ 0 0 62 1,-0.2 2,-0.3 -260,-0.0 -260,-0.1 0.722 115.0 12.6 -56.4 -24.3 23.2 -24.8 79.9 286 286 A F < - 0 0 10 -3,-1.3 -3,-0.5 -7,-0.1 2,-0.5 -0.970 53.6-164.9-160.1 142.0 23.4 -21.6 77.8 287 287 A Q > - 0 0 90 -2,-0.3 3,-1.5 3,-0.2 -8,-0.2 -0.951 3.6-168.1-130.5 108.2 21.4 -19.4 75.5 288 288 A L T 3 S+ 0 0 1 -10,-1.7 12,-0.2 -2,-0.5 -9,-0.1 0.860 97.7 38.9 -61.6 -33.0 23.3 -16.9 73.4 289 289 A F T 3 S+ 0 0 13 -11,-0.5 14,-2.2 -3,-0.1 2,-0.3 0.029 105.1 85.5-109.0 27.6 20.0 -15.4 72.5 290 290 A G < - 0 0 14 -3,-1.5 -3,-0.2 12,-0.2 10,-0.1 -0.904 56.2-159.9-126.1 152.7 18.3 -15.7 75.9 291 291 A S - 0 0 29 -2,-0.3 4,-0.1 4,-0.2 6,-0.1 -0.992 30.9 -88.5-136.9 143.9 18.4 -13.5 79.0 292 292 A P > - 0 0 71 0, 0.0 3,-2.7 0, 0.0 6,-0.1 -0.009 52.2 -94.0 -45.5 150.2 17.7 -14.0 82.8 293 293 A S T 3 S+ 0 0 129 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.850 123.5 35.3 -31.7 -79.3 14.1 -13.5 84.0 294 294 A G T 3 S+ 0 0 73 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.355 114.2 78.5 -66.6 9.9 14.2 -9.8 85.1 295 295 A Q < - 0 0 58 -3,-2.7 2,-0.3 -4,-0.1 -4,-0.2 -0.796 58.2-165.3-119.6 163.6 16.6 -9.1 82.2 296 296 A K - 0 0 94 -2,-0.3 -6,-0.1 1,-0.1 5,-0.0 -0.985 60.5 -1.8-152.1 138.0 16.2 -8.5 78.5 297 297 A D - 0 0 25 -2,-0.3 2,-0.6 1,-0.2 4,-0.1 0.854 66.0-176.4 53.3 51.1 18.5 -8.3 75.4 298 298 A L S S- 0 0 7 1,-0.2 2,-1.5 -6,-0.1 -1,-0.2 -0.660 71.7 -26.3 -80.3 117.1 21.9 -8.9 77.0 299 299 A L S S+ 0 0 8 -2,-0.6 2,-0.3 -241,-0.1 -241,-0.2 -0.132 140.8 27.9 73.8 -39.4 24.7 -8.7 74.4 300 300 A F S S- 0 0 5 -2,-1.5 2,-0.3 -12,-0.2 3,-0.0 -0.890 99.5 -82.2-141.3 169.8 22.2 -9.7 71.7 301 301 A K > - 0 0 7 -2,-0.3 3,-1.7 -4,-0.1 2,-0.1 -0.577 50.7-116.1 -75.6 131.4 18.5 -9.5 71.0 302 302 A D T 3 S+ 0 0 15 -2,-0.3 -12,-0.2 1,-0.3 3,-0.1 -0.465 100.3 21.0 -65.9 143.3 16.6 -12.3 72.7 303 303 A S T 3 S+ 0 0 83 -14,-2.2 -1,-0.3 1,-0.3 -220,-0.1 0.500 83.4 143.1 77.0 2.3 15.0 -14.6 70.2 304 304 A A < - 0 0 1 -3,-1.7 -1,-0.3 -15,-0.2 -222,-0.2 -0.463 45.5-144.9 -63.8 152.6 17.3 -13.5 67.4 305 305 A I - 0 0 34 -224,-2.6 2,-0.3 1,-0.2 -223,-0.1 0.334 52.4 -53.5-110.5 13.0 17.9 -16.7 65.4 306 306 A G E -E 81 0B 1 -225,-0.6 -225,-2.3 -27,-0.1 2,-0.3 -0.919 59.0 -75.0 150.0-173.7 21.6 -16.3 64.2 307 307 A F E -E 80 0B 14 -2,-0.3 2,-0.5 -227,-0.2 -227,-0.2 -0.915 22.6-154.5-122.4 152.3 24.0 -14.0 62.4 308 308 A S E -E 79 0B 28 -229,-1.9 -229,-2.4 -2,-0.3 2,-0.2 -0.988 28.8-117.0-123.9 125.1 24.6 -13.2 58.8 309 309 A R E -E 78 0B 103 -2,-0.5 -231,-0.2 -231,-0.2 -232,-0.0 -0.403 24.3-135.6 -65.1 131.6 28.1 -12.1 57.6 310 310 A V - 0 0 1 -233,-2.3 375,-0.1 -2,-0.2 -1,-0.1 -0.750 25.3-111.3 -91.2 125.1 28.3 -8.5 56.3 311 311 A P > - 0 0 14 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.287 22.8-117.6 -55.8 142.6 30.3 -8.0 53.1 312 312 A P T 3 S+ 0 0 97 0, 0.0 370,-0.1 0, 0.0 -2,-0.0 0.753 107.6 60.8 -50.0 -44.1 33.6 -6.1 53.2 313 313 A R T 3 S+ 0 0 68 368,-0.2 2,-0.3 2,-0.0 5,-0.1 0.719 85.2 98.7 -63.2 -19.1 32.7 -3.2 50.9 314 314 A I < + 0 0 1 -3,-1.8 2,-0.2 367,-0.1 -4,-0.0 -0.574 49.2 177.5 -79.0 131.4 29.9 -2.2 53.2 315 315 A D > - 0 0 43 -2,-0.3 4,-2.4 -240,-0.1 5,-0.2 -0.548 49.9 -81.2-115.9-177.4 30.5 0.7 55.7 316 316 A S H > S+ 0 0 15 -242,-0.4 4,-2.1 1,-0.2 5,-0.2 0.926 127.0 49.6 -57.2 -46.8 28.1 2.3 58.2 317 317 A G H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.961 112.6 45.1 -57.6 -54.8 26.4 4.5 55.6 318 318 A L H 4 S+ 0 0 7 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.896 110.8 56.2 -57.8 -38.4 25.7 1.7 53.1 319 319 A Y H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.935 105.7 49.9 -60.1 -44.5 24.5 -0.6 55.8 320 320 A L H < S- 0 0 5 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.702 109.9-123.5 -70.1 -21.5 21.9 1.9 57.0 321 321 A G X - 0 0 31 -4,-1.2 4,-2.7 -3,-0.4 5,-0.3 0.114 24.3 -87.2 88.6 150.1 20.4 2.5 53.6 322 322 A S H > S+ 0 0 41 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.916 124.2 50.6 -62.0 -44.0 20.0 5.8 51.9 323 323 A G H > S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.983 119.2 33.8 -56.2 -59.7 16.6 6.6 53.4 324 324 A Y H > S+ 0 0 23 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.896 117.3 55.1 -67.2 -39.6 17.5 5.9 57.0 325 325 A F H X S+ 0 0 15 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.951 114.4 38.7 -61.7 -48.1 21.1 7.2 56.7 326 326 A T H X S+ 0 0 39 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.748 110.9 61.8 -76.2 -18.2 20.0 10.5 55.3 327 327 A A H X S+ 0 0 49 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.890 102.5 50.4 -72.3 -39.3 17.1 10.6 57.7 328 328 A I H >< S+ 0 0 2 -4,-2.1 3,-2.1 1,-0.2 4,-0.2 0.985 110.9 49.2 -58.5 -58.3 19.4 10.5 60.7 329 329 A Q H >< S+ 0 0 49 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.859 103.3 60.7 -49.6 -41.9 21.5 13.4 59.3 330 330 A N H >< S+ 0 0 31 -4,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.647 85.9 75.9 -65.1 -15.5 18.4 15.5 58.7 331 331 A L T << S+ 0 0 16 -3,-2.1 -1,-0.3 -4,-0.6 -186,-0.3 0.579 97.8 48.2 -72.1 -7.3 17.5 15.5 62.4 332 332 A R T < S+ 0 0 111 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.027 103.4 79.2-117.6 22.9 20.3 18.0 62.8 333 333 A K S < S- 0 0 56 -3,-1.5 2,-0.2 -193,-0.1 -193,-0.1 -0.904 77.6-111.1-132.1 159.7 19.2 20.3 60.0 334 334 A S > - 0 0 22 -2,-0.3 4,-2.3 -194,-0.1 3,-0.4 -0.527 33.9-111.3 -85.7 156.0 16.7 23.0 59.4 335 335 A E H > S+ 0 0 105 -197,-0.3 4,-1.9 1,-0.2 5,-0.1 0.766 119.3 53.7 -57.3 -25.7 13.8 22.4 57.0 336 336 A E H > S+ 0 0 137 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.864 107.6 48.4 -77.9 -37.6 15.4 25.0 54.6 337 337 A E H > S+ 0 0 102 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.908 114.1 47.3 -68.8 -37.8 18.7 23.2 54.5 338 338 A V H X S+ 0 0 14 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 112.1 48.3 -68.8 -44.0 16.9 19.9 53.9 339 339 A A H X S+ 0 0 57 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.814 109.3 54.3 -68.4 -28.4 14.7 21.3 51.1 340 340 A A H X S+ 0 0 45 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.869 108.0 48.4 -72.1 -37.1 17.7 23.0 49.5 341 341 A R H < S+ 0 0 61 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.892 109.1 55.1 -67.9 -37.8 19.6 19.7 49.3 342 342 A R H < S+ 0 0 165 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.787 109.0 48.4 -64.5 -28.6 16.5 18.1 47.9 343 343 A A H < S+ 0 0 40 -4,-1.0 -1,-0.2 -5,-0.1 2,-0.2 0.741 100.6 77.7 -85.7 -23.4 16.5 20.7 45.2 344 344 A R < - 0 0 89 -4,-1.2 2,-0.6 -3,-0.3 25,-0.2 -0.629 69.9-137.7 -94.5 152.3 20.1 20.4 44.2 345 345 A V E -m 369 0E 1 23,-2.6 25,-2.5 -2,-0.2 2,-0.7 -0.907 11.4-157.3-106.6 116.3 21.8 17.7 42.0 346 346 A V E -m 370 0E 11 -2,-0.6 44,-3.8 23,-0.2 45,-1.7 -0.827 14.1-154.1 -96.3 112.2 25.2 16.4 43.2 347 347 A W E -mn 371 391E 1 23,-2.8 25,-1.6 -2,-0.7 2,-0.6 -0.520 7.0-136.0 -85.5 147.7 27.1 14.9 40.3 348 348 A g E -m 372 0E 2 43,-2.2 2,-0.4 -2,-0.2 25,-0.2 -0.913 16.6-161.6-108.9 122.3 29.8 12.3 40.7 349 349 A A E -m 373 0E 0 23,-2.3 25,-1.7 -2,-0.6 2,-0.9 -0.776 12.3-143.9-101.0 137.9 33.0 12.7 38.8 350 350 A V E S-m 374 0E 11 -2,-0.4 171,-0.6 23,-0.2 4,-0.3 -0.845 72.7 -3.4-102.4 96.6 35.3 9.8 38.2 351 351 A G S > S- 0 0 4 23,-1.6 4,-2.4 -2,-0.9 5,-0.2 -0.090 87.6 -80.9 104.0 156.1 38.8 11.4 38.3 352 352 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.855 125.0 57.0 -63.5 -34.0 40.3 14.8 38.8 353 353 A Q H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 110.9 43.3 -64.8 -41.2 39.8 15.7 35.1 354 354 A E H > S+ 0 0 32 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.868 112.2 53.4 -70.6 -38.4 36.0 15.0 35.4 355 355 A L H X S+ 0 0 48 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.895 107.5 53.1 -61.5 -40.1 35.9 16.8 38.7 356 356 A R H X S+ 0 0 164 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.953 111.7 42.6 -61.0 -52.8 37.5 19.8 37.1 357 357 A K H X S+ 0 0 18 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.856 113.6 55.2 -62.2 -35.7 35.0 20.0 34.2 358 358 A h H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 104.4 52.3 -62.4 -46.3 32.2 19.4 36.8 359 359 A N H X S+ 0 0 86 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.909 107.3 52.7 -57.0 -43.1 33.3 22.3 38.9 360 360 A Q H < S+ 0 0 116 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.7 46.8 -59.8 -41.0 33.2 24.6 35.9 361 361 A W H >< S+ 0 0 0 -4,-1.6 3,-1.2 2,-0.2 4,-0.2 0.885 111.4 53.2 -68.0 -39.6 29.6 23.5 35.1 362 362 A S H ><>S+ 0 0 30 -4,-2.5 3,-2.6 1,-0.3 5,-0.5 0.968 100.0 58.2 -60.1 -55.9 28.6 23.9 38.8 363 363 A G T 3<5S+ 0 0 72 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.606 113.9 42.6 -51.9 -9.8 29.9 27.5 39.0 364 364 A L T < 5S+ 0 0 53 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.320 87.9 88.1-120.5 6.0 27.4 28.1 36.1 365 365 A S T X 5S- 0 0 2 -3,-2.6 3,-2.2 4,-0.3 -2,-0.1 0.284 93.0-121.7 -89.5 10.1 24.3 26.2 37.2 366 366 A E T 3 5S- 0 0 147 1,-0.3 -3,-0.1 -4,-0.2 -4,-0.1 0.865 77.5 -50.8 50.7 39.9 22.8 29.0 39.3 367 367 A G T 3 S- 0 0 28 1,-0.1 4,-1.1 142,-0.1 -25,-0.1 -0.921 77.3-122.7-134.7 162.9 36.4 4.5 40.3 377 377 A T H > S+ 0 0 10 -2,-0.3 4,-2.1 142,-0.3 5,-0.2 0.892 113.4 55.1 -70.1 -40.2 32.9 4.3 38.9 378 378 A E H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 105.6 52.3 -60.2 -41.3 32.0 1.7 41.5 379 379 A D H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 107.8 52.4 -65.7 -30.7 33.0 4.1 44.2 380 380 A g H X S+ 0 0 0 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.872 104.9 54.9 -70.9 -35.9 30.8 6.7 42.7 381 381 A I H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.893 105.2 54.5 -60.7 -37.7 27.9 4.3 42.7 382 382 A A H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.862 103.9 54.1 -66.7 -36.9 28.4 3.8 46.5 383 383 A L H <>S+ 0 0 22 -4,-1.3 6,-1.7 1,-0.2 5,-1.4 0.780 106.2 52.4 -68.6 -26.6 28.2 7.5 47.1 384 384 A V H ><5S+ 0 0 2 -4,-1.1 3,-0.5 -3,-0.3 -1,-0.2 0.831 107.4 52.0 -78.0 -30.1 24.9 7.6 45.3 385 385 A L H 3<5S+ 0 0 25 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.873 111.3 47.4 -69.9 -36.4 23.6 4.8 47.6 386 386 A K T 3<5S- 0 0 29 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.444 114.1-119.6 -81.4 -3.1 24.8 6.8 50.7 387 387 A G T < 5S+ 0 0 10 -3,-0.5 -3,-0.2 2,-0.2 -4,-0.1 0.519 84.8 115.7 76.6 5.0 23.1 10.0 49.3 388 388 A E S > - 0 0 5 -2,-0.3 3,-1.7 202,-0.2 4,-1.6 -0.411 46.0-103.1 -70.6 155.4 28.1 2.9 30.2 396 396 A G H 3> S+ 0 0 0 199,-0.5 4,-1.1 1,-0.3 -1,-0.1 0.777 120.3 62.9 -53.2 -31.4 25.5 0.0 30.0 397 397 A G H 3> S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.828 107.0 41.7 -65.0 -32.9 27.8 -2.3 31.8 398 398 A Y H <> S+ 0 0 15 -3,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.742 103.2 67.6 -85.9 -23.8 27.7 -0.1 34.9 399 399 A V H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.816 99.2 54.5 -62.6 -26.8 24.0 0.4 34.5 400 400 A Y H X S+ 0 0 10 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.977 110.4 42.4 -68.6 -56.3 23.7 -3.3 35.3 401 401 A T H X S+ 0 0 1 -4,-1.0 4,-0.7 1,-0.2 -2,-0.2 0.914 114.5 51.6 -55.8 -46.1 25.7 -3.0 38.5 402 402 A A H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 -1,-0.2 0.864 110.2 50.4 -59.7 -36.3 23.8 0.2 39.5 403 403 A G H ><5S+ 0 0 3 -4,-1.7 3,-3.1 1,-0.2 -2,-0.2 0.943 104.4 54.5 -68.8 -48.1 20.5 -1.6 38.8 404 404 A K H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.701 108.6 53.2 -60.7 -14.6 21.3 -4.6 41.0 405 405 A i T 3<5S- 0 0 11 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.314 127.4-101.0-101.0 6.6 22.0 -2.0 43.6 406 406 A G T < 5S+ 0 0 16 -3,-3.1 197,-0.3 1,-0.3 -3,-0.2 0.508 77.7 130.1 93.4 2.4 18.6 -0.4 43.2 407 407 A L < - 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