==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-NOV-02 1N84 . COMPND 2 MOLECULE: SEROTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.E.ADAMS,A.B.MASON,Q.Y.HE,P.J.HALBROOKS,S.K.BRIGGS, . 329 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 12.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 2 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 3 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 . 0 1 0 1 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 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 3 A D 0 0 97 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 16.7 32.4 27.4 61.3 2 4 A K - 0 0 136 32,-0.1 32,-1.8 29,-0.0 2,-0.3 -0.707 360.0 -53.4-140.0-166.8 30.1 29.9 59.7 3 5 A T E -a 34 0A 55 -2,-0.2 2,-0.6 30,-0.2 32,-0.2 -0.565 32.6-160.3 -85.6 134.8 30.0 32.7 57.0 4 6 A V E -a 35 0A 0 30,-2.7 32,-2.0 -2,-0.3 2,-0.9 -0.943 14.7-144.4-111.7 113.3 32.3 35.7 56.8 5 7 A R E -a 36 0A 56 -2,-0.6 51,-3.4 30,-0.2 52,-1.7 -0.671 18.7-159.2 -79.9 105.0 30.9 38.6 54.7 6 8 A W E -ab 37 57A 2 30,-3.1 32,-3.1 -2,-0.9 2,-0.7 -0.693 12.4-131.2 -87.9 138.1 33.9 40.1 52.9 7 9 A a E -a 38 0A 0 50,-2.8 2,-0.4 -2,-0.4 52,-0.3 -0.795 22.3-167.4 -93.4 115.6 33.6 43.6 51.6 8 10 A A E -a 39 0A 0 30,-3.1 32,-2.8 -2,-0.7 2,-0.9 -0.867 16.2-136.9-102.3 132.8 34.7 43.9 48.0 9 11 A V E > -a 40 0A 15 -2,-0.4 4,-0.6 30,-0.2 170,-0.4 -0.802 63.1 -36.2 -95.4 104.9 35.2 47.4 46.5 10 12 A S H > S- 0 0 6 30,-3.0 4,-2.0 -2,-0.9 3,-0.3 0.079 93.7 -47.5 74.8 176.1 33.7 47.7 43.1 11 13 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.787 127.0 52.6 -51.2 -43.3 33.5 45.1 40.1 12 14 A H H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 114.1 41.0 -66.4 -44.8 37.0 43.8 40.0 13 15 A E H X S+ 0 0 27 -4,-0.6 4,-3.1 -3,-0.3 -1,-0.2 0.860 111.4 58.7 -70.1 -33.9 37.3 42.8 43.7 14 16 A A H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 107.1 47.1 -60.1 -43.2 33.7 41.5 43.5 15 17 A T H X S+ 0 0 58 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.931 113.3 47.1 -64.9 -44.5 34.8 39.1 40.8 16 18 A K H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.905 111.1 53.3 -63.7 -38.9 37.9 38.0 42.7 17 19 A b H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.906 106.4 51.6 -62.3 -43.1 35.7 37.6 45.8 18 20 A Q H X S+ 0 0 95 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.868 111.4 47.5 -62.1 -37.5 33.2 35.3 44.0 19 21 A S H X S+ 0 0 39 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.876 110.6 52.3 -69.3 -38.2 36.1 33.1 42.8 20 22 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 111.3 47.3 -61.9 -46.2 37.5 33.1 46.3 21 23 A R H X S+ 0 0 50 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.947 113.4 47.7 -60.3 -51.2 34.1 32.0 47.6 22 24 A D H X S+ 0 0 81 -4,-2.5 4,-1.0 1,-0.2 3,-0.2 0.920 113.0 46.2 -59.5 -46.4 33.7 29.3 45.0 23 25 A H H < S+ 0 0 46 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.840 109.4 54.1 -67.7 -32.5 37.2 27.8 45.4 24 26 A M H >X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.2 3,-0.8 0.803 103.2 59.4 -69.7 -28.2 37.0 27.7 49.2 25 27 A K H 3< S+ 0 0 130 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 105.6 48.3 -67.7 -32.6 33.7 25.8 48.8 26 28 A S T 3< S+ 0 0 93 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.421 120.6 34.0 -90.3 3.1 35.6 23.1 46.9 27 29 A V T <4 S+ 0 0 47 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.599 102.2 77.0-125.4 -24.2 38.4 22.7 49.4 28 30 A I S < S- 0 0 18 -4,-2.2 -1,-0.1 -5,-0.2 4,-0.1 -0.728 83.2-111.9 -95.3 137.3 36.8 23.4 52.8 29 31 A P > - 0 0 68 0, 0.0 3,-3.6 0, 0.0 -2,-0.1 -0.292 37.1 -99.4 -64.9 150.9 34.7 20.7 54.6 30 32 A S T 3 S+ 0 0 130 1,-0.3 -2,-0.0 4,-0.0 4,-0.0 0.692 126.5 49.6 -39.9 -27.9 30.9 21.4 55.0 31 33 A D T 3 S+ 0 0 94 2,-0.0 -1,-0.3 -29,-0.0 3,-0.1 0.110 93.7 99.8-103.7 19.6 31.7 22.5 58.5 32 34 A G S < S- 0 0 9 -3,-3.6 -4,-0.1 1,-0.2 232,-0.1 -0.472 85.7 -74.2 -98.6 173.2 34.5 24.9 57.6 33 35 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.324 51.0-163.2 -66.3 149.4 34.5 28.7 57.3 34 36 A S E -a 3 0A 39 -32,-1.8 -30,-2.7 -3,-0.1 2,-0.3 -0.913 10.4-123.7-132.6 162.8 32.8 30.1 54.2 35 37 A V E -a 4 0A 8 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.835 15.0-173.4-113.0 144.1 32.8 33.4 52.3 36 38 A A E -a 5 0A 30 -32,-2.0 -30,-3.1 -2,-0.3 2,-0.6 -0.960 22.8-134.7-125.9 145.4 30.0 35.8 51.2 37 39 A b E -a 6 0A 38 -2,-0.4 2,-0.6 -32,-0.2 -30,-0.2 -0.915 16.8-172.8-112.7 117.7 30.8 38.8 49.0 38 40 A V E -a 7 0A 34 -32,-3.1 -30,-3.1 -2,-0.6 2,-0.5 -0.920 15.8-148.8-106.9 117.8 29.4 42.3 49.7 39 41 A K E +a 8 0A 105 -2,-0.6 2,-0.3 -32,-0.2 -30,-0.2 -0.750 22.2 167.7 -93.2 129.4 30.1 44.8 47.0 40 42 A K E -a 9 0A 70 -32,-2.8 -30,-3.0 -2,-0.5 -26,-0.1 -0.872 40.7-121.3-130.7 164.6 30.5 48.5 47.8 41 43 A A S S+ 0 0 69 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.733 88.4 9.1 -80.1 -25.8 31.8 51.5 45.8 42 44 A S S > S- 0 0 18 -34,-0.1 4,-1.1 1,-0.1 3,-0.4 -0.958 73.8-105.6-151.0 168.3 34.6 52.5 48.1 43 45 A Y H > S+ 0 0 38 134,-0.4 4,-1.7 -2,-0.3 5,-0.1 0.774 117.9 61.7 -65.6 -27.3 36.7 51.4 51.1 44 46 A L H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 101.7 49.2 -67.3 -39.5 34.8 54.1 53.1 45 47 A D H > S+ 0 0 68 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.787 107.8 56.8 -70.1 -26.8 31.4 52.4 52.5 46 48 A a H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.897 105.0 50.6 -69.8 -40.7 33.0 49.1 53.6 47 49 A I H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.939 113.0 44.8 -62.1 -49.1 34.0 50.6 56.9 48 50 A R H X S+ 0 0 125 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.958 112.0 53.9 -60.1 -49.3 30.5 51.9 57.6 49 51 A A H <>S+ 0 0 5 -4,-2.4 5,-3.6 1,-0.2 6,-0.9 0.854 109.2 47.0 -53.3 -43.4 29.0 48.5 56.4 50 52 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.5 4,-0.2 -1,-0.2 0.930 113.0 48.3 -66.9 -44.8 31.1 46.5 58.9 51 53 A A H 3<5S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.831 112.2 51.0 -63.0 -31.1 30.3 48.9 61.7 52 54 A A T 3<5S- 0 0 67 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.358 118.3-113.6 -87.6 4.5 26.6 48.6 60.7 53 55 A N T < 5S+ 0 0 89 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.826 86.5 117.4 65.6 35.0 26.8 44.8 60.7 54 56 A E S > - 0 0 4 -2,-0.4 4,-1.2 186,-0.2 3,-0.8 -0.406 44.5-109.4 -63.7 147.7 46.2 50.2 54.1 62 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.3 1,-0.3 3,-0.3 0.832 118.4 58.1 -51.2 -40.6 47.6 51.2 57.5 63 65 A G H 3> S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 3,-0.4 0.912 108.8 46.5 -57.3 -40.9 46.8 54.9 57.0 64 66 A L H <> S+ 0 0 8 -3,-0.8 4,-2.2 1,-0.2 -1,-0.3 0.712 100.1 68.4 -73.4 -22.1 43.2 53.9 56.5 65 67 A V H X S+ 0 0 2 -4,-1.2 4,-1.1 -3,-0.3 -1,-0.2 0.886 96.3 55.6 -63.7 -37.0 43.3 51.6 59.6 66 68 A Y H >X S+ 0 0 25 -4,-1.3 4,-1.3 -3,-0.4 3,-1.0 0.961 108.0 45.9 -60.0 -52.8 43.6 54.8 61.7 67 69 A D H 3< S+ 0 0 46 -4,-1.0 3,-0.4 1,-0.3 7,-0.2 0.912 107.7 59.4 -55.5 -44.6 40.4 56.3 60.3 68 70 A A H 3< S+ 0 0 1 -4,-2.2 7,-2.9 1,-0.2 -1,-0.3 0.751 104.1 51.0 -56.8 -28.6 38.6 53.0 60.7 69 71 A Y H << S+ 0 0 62 -4,-1.1 5,-0.3 -3,-1.0 -1,-0.2 0.835 88.1 95.9 -80.2 -36.1 39.3 53.0 64.5 70 72 A L S >X S- 0 0 63 -4,-1.3 4,-2.1 -3,-0.4 3,-1.1 -0.100 84.6 -58.4 -52.6 153.7 38.0 56.6 65.1 71 73 A A T 34 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.445 115.0 27.0 -76.2 155.9 34.4 56.7 66.4 72 74 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.940 127.3 45.4 -89.1 15.2 31.7 55.9 65.5 73 75 A N T <4 + 0 0 24 -3,-1.1 -2,-0.2 -6,-0.2 -4,-0.1 0.942 69.9 178.4 -82.5 -48.9 33.2 53.1 63.5 74 76 A N < + 0 0 75 -4,-2.1 179,-0.3 -5,-0.3 -5,-0.3 0.835 14.2 169.1 51.1 42.4 35.7 51.8 66.1 75 77 A L - 0 0 6 -7,-2.9 234,-0.3 -5,-0.3 177,-0.2 -0.436 19.0-149.4 -80.1 161.4 37.0 48.9 64.0 76 78 A K E -D 251 0B 37 175,-2.5 175,-2.3 -2,-0.1 2,-0.3 -0.961 19.1-107.3-133.1 149.1 40.1 47.0 65.1 77 79 A P E +D 250 0B 5 0, 0.0 173,-0.3 0, 0.0 230,-0.2 -0.602 39.7 164.4 -75.5 129.3 42.9 45.2 63.2 78 80 A V E + 0 0 14 171,-3.0 225,-2.4 1,-0.4 2,-0.3 0.703 62.9 22.3-116.8 -31.0 42.6 41.4 63.5 79 81 A V E -DE 249 302B 1 170,-1.2 170,-4.1 223,-0.2 -1,-0.4 -0.995 66.4-156.4-142.1 133.7 44.9 40.0 60.8 80 82 A A E -DE 248 301B 4 221,-2.7 221,-2.4 -2,-0.3 168,-0.2 -0.832 16.1-125.0-113.2 149.9 47.9 41.5 59.0 81 83 A E E - E 0 300B 0 166,-2.5 2,-0.3 -2,-0.3 219,-0.2 -0.515 24.7-154.5 -81.9 156.0 49.5 40.8 55.7 82 84 A F E - E 0 299B 15 217,-1.9 216,-3.1 -2,-0.2 217,-1.0 -0.973 8.1-160.4-132.8 149.1 53.3 40.1 55.7 83 85 A Y E +FE 90 297B 4 7,-2.8 7,-2.4 -2,-0.3 2,-1.5 -0.557 55.8 45.5-119.5-176.8 55.7 40.6 52.8 84 86 A G E S-F 89 0B 35 212,-0.5 2,-0.3 5,-0.2 3,-0.0 -0.627 107.6 -39.7 86.3 -85.6 59.1 39.4 51.7 85 87 A S - 0 0 26 -2,-1.5 213,-0.1 3,-0.8 -2,-0.1 -0.979 49.0-100.7-169.7 165.0 58.9 35.7 52.2 86 88 A K S S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.797 123.0 49.0 -63.9 -29.5 57.6 32.9 54.5 87 89 A E S S+ 0 0 160 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.866 124.8 27.1 -78.3 -40.8 61.2 32.5 55.8 88 90 A D S S- 0 0 110 2,-0.0 -3,-0.8 -5,-0.0 2,-0.3 -0.691 82.5-165.2-124.3 79.3 61.7 36.2 56.5 89 91 A P E -F 84 0B 66 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.475 2.3-159.6 -68.6 127.3 58.2 37.7 57.1 90 92 A Q E -F 83 0B 38 -7,-2.4 -7,-2.8 -2,-0.3 -2,-0.0 -0.936 11.9-167.2-109.5 120.3 58.2 41.5 56.9 91 93 A T S S+ 0 0 71 -2,-0.6 155,-1.5 -9,-0.2 2,-0.3 -0.130 73.9 44.4 -97.6 40.0 55.3 43.3 58.6 92 94 A F E -G 245 0C 58 153,-0.3 2,-0.3 2,-0.0 -9,-0.2 -0.962 64.4-157.4-165.0 168.2 56.2 46.6 56.9 93 95 A Y E -G 244 0C 1 151,-1.9 151,-2.3 -2,-0.3 2,-0.4 -0.922 26.6 -95.3-148.7 173.5 57.2 48.0 53.5 94 96 A Y E -G 243 0C 26 -2,-0.3 111,-1.6 149,-0.2 2,-0.5 -0.802 21.3-144.3-102.2 134.9 59.0 51.0 52.0 95 97 A A E +GH 242 204C 0 147,-2.7 146,-3.1 -2,-0.4 147,-1.0 -0.816 31.3 176.4 -92.1 129.9 57.4 54.2 50.7 96 98 A V E - H 0 203C 2 107,-2.7 107,-1.2 -2,-0.5 2,-0.6 -0.863 32.0-130.4-132.0 168.0 59.2 55.5 47.7 97 99 A A E - H 0 202C 0 127,-0.4 127,-2.2 -2,-0.3 2,-0.4 -0.947 26.0-161.5-121.8 108.6 59.0 58.3 45.1 98 100 A V E +IH 223 201C 2 103,-2.5 103,-2.0 -2,-0.6 2,-0.3 -0.771 16.9 163.5 -95.7 134.0 59.4 57.0 41.5 99 101 A V E -IH 222 200C 0 123,-2.1 123,-3.0 -2,-0.4 2,-0.2 -0.880 40.9 -91.0-138.0 168.2 60.2 59.4 38.7 100 102 A K E > -I 221 0C 76 99,-0.5 3,-1.4 -2,-0.3 121,-0.3 -0.585 54.2 -88.6 -85.0 146.5 61.5 59.0 35.1 101 103 A K T 3 S+ 0 0 78 119,-2.4 -1,-0.1 1,-0.3 119,-0.0 -0.241 107.6 3.3 -55.7 136.9 65.3 59.0 34.5 102 104 A D T 3 S+ 0 0 129 1,-0.1 -1,-0.3 -3,-0.1 119,-0.0 0.769 75.9 144.4 56.9 33.7 66.7 62.5 33.8 103 105 A S < - 0 0 49 -3,-1.4 -1,-0.1 2,-0.1 -2,-0.1 0.606 64.4-124.4 -73.7 -8.7 63.4 64.3 34.4 104 106 A G + 0 0 67 -4,-0.2 2,-0.3 1,-0.2 -3,-0.1 0.831 67.2 93.3 73.7 38.7 65.7 66.9 35.9 105 107 A F - 0 0 9 5,-0.0 2,-0.2 124,-0.0 -1,-0.2 -0.995 50.2-146.7-158.7 153.4 64.5 67.5 39.5 106 108 A Q > - 0 0 48 -2,-0.3 3,-2.1 118,-0.1 118,-0.1 -0.575 43.7 -86.2-113.2 178.8 65.0 66.5 43.1 107 109 A M G > S+ 0 0 13 118,-0.4 3,-0.8 1,-0.3 119,-0.1 0.811 125.1 54.9 -53.9 -36.9 62.8 66.1 46.2 108 110 A N G 3 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.247 103.8 59.3 -85.3 15.9 63.2 69.8 47.2 109 111 A Q G < + 0 0 95 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.101 65.1 112.5-133.2 35.2 62.0 70.8 43.7 110 112 A L X + 0 0 1 -3,-0.8 3,-2.5 2,-0.1 -2,-0.1 0.658 41.5 115.0 -83.6 -17.4 58.5 69.3 43.6 111 113 A R T 3 S+ 0 0 144 1,-0.3 41,-0.2 41,-0.1 3,-0.1 -0.329 86.0 13.8 -57.4 129.3 56.6 72.6 43.6 112 114 A G T 3 S+ 0 0 38 39,-2.7 -1,-0.3 1,-0.3 40,-0.2 0.404 100.1 120.1 86.3 -3.1 54.8 72.9 40.3 113 115 A K < - 0 0 48 -3,-2.5 40,-2.0 38,-0.2 2,-0.5 -0.450 68.1-110.7 -87.8 167.1 55.3 69.3 39.3 114 116 A K - 0 0 60 38,-0.2 85,-3.2 39,-0.2 86,-1.4 -0.869 35.8-157.8-100.9 131.5 52.4 66.9 38.6 115 117 A S E -jk 155 200C 0 39,-1.4 41,-1.5 -2,-0.5 2,-0.5 -0.821 13.4-154.5-115.1 152.0 51.9 64.1 41.2 116 118 A c E -jk 156 201C 0 84,-1.6 86,-2.1 -2,-0.3 2,-0.3 -0.985 17.2-172.8-123.5 120.8 50.2 60.7 41.2 117 119 A H E - k 0 202C 0 39,-2.8 3,-0.1 -2,-0.5 68,-0.1 -0.848 30.3-134.8-115.4 150.2 48.9 59.3 44.5 118 120 A T S S- 0 0 1 84,-0.6 67,-2.2 -2,-0.3 2,-0.2 0.907 80.6 -47.7 -66.5 -40.6 47.5 55.8 45.3 119 121 A G > - 0 0 0 65,-0.2 3,-1.7 3,-0.1 -1,-0.3 -0.832 66.3 -73.3 170.6 150.1 44.8 57.4 47.3 120 122 A L T 3 S+ 0 0 38 38,-2.7 3,-0.1 1,-0.2 6,-0.1 -0.276 114.0 10.9 -56.8 134.2 44.0 60.0 50.0 121 123 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.433 93.3 132.3 78.0 -1.7 45.0 59.0 53.5 122 124 A R <>> - 0 0 30 -3,-1.7 5,-2.1 -59,-0.2 4,-1.4 -0.558 62.0-119.0 -84.3 149.8 47.0 56.0 52.4 123 125 A S T 4>S+ 0 0 0 -2,-0.2 5,-2.4 3,-0.2 3,-0.3 0.953 102.0 23.0 -50.0 -72.5 50.5 55.4 53.8 124 126 A A T 45S+ 0 0 2 1,-0.2 -1,-0.2 3,-0.2 79,-0.1 0.859 126.1 48.1 -69.6 -38.5 52.9 55.4 50.8 125 127 A G T 45S- 0 0 0 -6,-0.1 -1,-0.2 3,-0.1 77,-0.2 0.605 132.9 -4.9 -81.6 -11.3 50.7 57.5 48.5 126 128 A W T X>S+ 0 0 7 -4,-1.4 4,-2.9 -3,-0.3 5,-0.5 0.496 120.2 53.5-142.7 -66.5 49.8 60.3 50.8 127 129 A N H >5S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.936 121.9 41.2 -54.2 -51.7 55.0 62.1 51.0 130 132 A I H X5S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -3,-0.2 0.830 111.4 58.5 -66.4 -31.7 52.6 64.9 52.2 131 133 A G H <X S+ 0 0 5 -4,-1.6 3,-4.0 -5,-0.2 4,-1.2 0.601 80.5 111.8 -90.7 -12.8 56.4 68.3 52.3 134 136 A Y T 3< S+ 0 0 21 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.701 80.3 42.4 -29.7 -50.4 54.1 69.8 54.9 135 137 A d T 34 S+ 0 0 71 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.508 108.8 61.5 -82.5 -3.7 56.2 72.9 55.6 136 138 A D T <4 S+ 0 0 67 -3,-4.0 -2,-0.2 2,-0.1 -1,-0.2 0.718 84.1 96.6 -89.4 -25.6 56.9 73.3 51.9 137 139 A L S < S- 0 0 3 -4,-1.2 11,-0.1 -3,-0.3 4,-0.1 -0.312 84.6-107.2 -64.9 146.3 53.2 73.8 51.1 138 140 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 -0.277 53.9 -65.4 -70.0 160.7 51.9 77.4 50.8 139 141 A E S S+ 0 0 146 2,-0.1 2,-0.1 -4,-0.1 -4,-0.0 -0.712 110.1 50.1 -98.8 151.9 49.8 78.9 53.6 140 142 A P - 0 0 75 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.542 64.5-170.7 -71.8 152.0 47.2 78.5 54.7 141 143 A R + 0 0 40 -2,-0.1 -2,-0.1 186,-0.1 7,-0.1 0.217 48.3 123.6 -93.1 13.9 47.9 74.8 55.1 142 144 A K + 0 0 144 1,-0.1 2,-0.1 2,-0.1 183,-0.0 -0.992 63.7 29.6-132.0 127.5 44.3 74.3 56.0 143 145 A P S > S- 0 0 60 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.602 87.6-143.9 -72.6 156.8 42.4 72.6 54.6 144 146 A L H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.895 96.6 54.9 -54.2 -47.1 45.3 70.2 53.7 145 147 A E H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 104.4 56.7 -54.5 -42.2 43.8 69.3 50.2 146 148 A K H > S+ 0 0 84 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.947 109.7 42.2 -55.9 -55.1 43.7 73.0 49.4 147 149 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.797 112.7 54.1 -66.4 -29.2 47.4 73.6 50.0 148 150 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.919 106.3 52.5 -69.9 -41.9 48.4 70.4 48.3 149 151 A A H < S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.763 110.9 48.4 -63.7 -26.0 46.5 71.4 45.2 150 152 A N H < S+ 0 0 85 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.732 108.0 54.0 -86.7 -23.8 48.4 74.7 45.2 151 153 A F H < S+ 0 0 4 -4,-1.2 -39,-2.7 -3,-0.4 -2,-0.2 0.957 108.9 47.5 -73.3 -54.7 51.8 73.1 45.6 152 154 A F S < S- 0 0 5 -4,-2.0 -38,-0.2 -41,-0.2 3,-0.1 -0.476 82.5-129.5 -84.5 159.1 51.6 70.7 42.6 153 155 A S S S- 0 0 50 -40,-2.0 -39,-0.2 1,-0.4 2,-0.1 0.098 84.9 -25.7 -97.0 23.8 50.4 71.9 39.2 154 156 A G S S+ 0 0 1 -41,-0.4 -39,-1.4 -5,-0.1 -1,-0.4 -0.375 71.2 171.0 140.6 140.7 48.0 69.1 39.0 155 157 A S E -j 115 0C 0 12,-2.2 16,-2.0 -41,-0.2 15,-0.6 -0.922 34.5-111.3-158.2-177.0 47.6 65.6 40.3 156 158 A e E +jL 116 169C 0 -41,-1.5 -39,-2.8 -2,-0.3 13,-0.2 -0.944 31.8 167.3-130.0 105.8 45.5 62.4 40.9 157 159 A A > - 0 0 0 11,-2.7 3,-2.0 -2,-0.4 -39,-0.1 -0.775 29.6-144.7-120.3 80.7 44.5 61.9 44.5 158 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-2.7 0, 0.0 18,-0.2 -0.137 81.6 23.8 -49.0 138.3 41.9 59.1 44.3 159 161 A f T 3 S+ 0 0 36 16,-2.7 2,-0.1 1,-0.3 18,-0.1 0.323 93.2 125.3 86.0 -4.9 39.1 59.5 46.9 160 162 A A S < S- 0 0 7 -3,-2.0 2,-1.1 8,-0.2 -1,-0.3 -0.460 74.6 -98.0 -80.9 158.6 39.6 63.2 47.2 161 163 A D > - 0 0 67 1,-0.2 4,-2.1 -2,-0.1 3,-0.3 -0.672 34.1-171.5 -82.4 100.3 36.7 65.6 46.7 162 164 A G T 4 S+ 0 0 27 -2,-1.1 -1,-0.2 12,-0.3 7,-0.1 0.665 78.9 65.4 -65.3 -18.6 37.0 66.9 43.1 163 165 A T T 4 S+ 0 0 124 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.956 116.2 25.4 -69.4 -48.7 34.3 69.5 43.5 164 166 A D T 4 S+ 0 0 113 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.689 134.9 35.8 -87.8 -21.2 36.2 71.5 46.1 165 167 A F >< + 0 0 31 -4,-2.1 3,-1.7 1,-0.1 -1,-0.2 -0.535 64.7 162.5-133.4 67.8 39.7 70.5 45.0 166 168 A P G > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.783 72.8 64.6 -54.5 -34.6 39.6 70.1 41.2 167 169 A Q G > S+ 0 0 65 1,-0.3 -12,-2.2 2,-0.2 3,-0.8 0.739 92.7 63.9 -64.4 -24.3 43.3 70.2 40.9 168 170 A L G < S+ 0 0 0 -3,-1.7 -11,-2.7 1,-0.2 -1,-0.3 0.507 109.7 37.6 -79.1 -5.3 43.5 66.9 42.8 169 171 A g B < S+L 156 0C 8 -3,-1.6 3,-0.4 -13,-0.2 6,-0.3 0.097 81.5 108.8-129.2 19.7 41.7 65.1 40.0 170 172 A Q S < S+ 0 0 104 -3,-0.8 -14,-0.2 -15,-0.6 -2,-0.1 0.884 86.8 42.0 -64.7 -38.7 43.2 66.9 37.0 171 173 A L S S+ 0 0 21 -16,-2.0 -1,-0.2 -4,-0.3 -15,-0.2 0.534 132.1 24.7 -84.5 -10.5 45.2 63.7 36.1 172 174 A e S > S- 0 0 8 -17,-0.5 3,-2.8 -3,-0.4 -1,-0.3 -0.499 88.2-138.0-155.3 76.7 42.2 61.5 36.8 173 175 A P T 3 S+ 0 0 118 0, 0.0 3,-0.4 0, 0.0 -3,-0.1 -0.020 88.9 18.7 -38.8 128.2 38.8 63.3 36.5 174 176 A G T 3 S- 0 0 64 1,-0.2 -12,-0.3 -8,-0.1 -15,-0.2 0.018 97.2-119.9 95.9 -27.0 36.5 62.3 39.3 175 177 A g < - 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