==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLASMA PROTEIN 05-MAR-03 1HK4 . COMPND 2 MOLECULE: SERUM ALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.PETITPAS,C.E.PETERSEN,C.E.HA,A.A.BHATTACHARYA, . 582 1 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 2 2 0 2 2 2 0 0 1 0 3 1 2 3 1 2 0 0 0 0 2 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 H 0 0 150 0, 0.0 3,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 170.9 61.4 15.3 9.7 2 4 A K + 0 0 128 1,-0.2 2,-0.5 2,-0.1 0, 0.0 0.862 360.0 38.1 -73.5 -35.7 64.2 13.5 11.4 3 5 A S > - 0 0 0 1,-0.2 4,-1.8 48,-0.1 -1,-0.2 -0.928 58.8-169.5-125.8 112.7 62.3 13.1 14.7 4 6 A E H > S+ 0 0 72 -2,-0.5 4,-2.6 56,-0.4 5,-0.3 0.948 90.9 50.0 -59.7 -52.0 58.6 12.4 14.9 5 7 A V H > S+ 0 0 6 57,-0.4 4,-2.7 55,-0.3 5,-0.2 0.914 109.5 50.4 -53.7 -49.1 58.4 13.1 18.7 6 8 A A H > S+ 0 0 1 54,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 112.3 49.6 -56.9 -40.7 60.1 16.4 18.5 7 9 A H H X S+ 0 0 89 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.928 112.0 44.8 -65.3 -48.2 57.8 17.4 15.7 8 10 A R H X S+ 0 0 52 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.884 112.2 54.1 -62.9 -40.5 54.5 16.4 17.5 9 11 A F H X S+ 0 0 22 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.946 107.2 52.1 -58.9 -49.8 55.8 18.1 20.6 10 12 A K H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.1 32.2 -56.9 -51.4 56.4 21.4 18.8 11 13 A D H < S+ 0 0 68 -4,-1.9 271,-0.3 1,-0.1 -1,-0.2 0.732 121.9 49.2 -84.8 -14.4 53.0 21.8 17.1 12 14 A L H < S- 0 0 31 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.907 102.6-135.3 -84.4 -43.8 51.0 20.2 19.9 13 15 A G X - 0 0 30 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.072 25.3 -84.5 98.2 145.4 52.6 22.1 22.8 14 16 A E H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 125.6 50.0 -49.4 -54.4 53.8 20.8 26.1 15 17 A E H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 115.1 40.8 -52.4 -54.3 50.4 20.9 27.7 16 18 A N H > S+ 0 0 36 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.911 113.6 55.2 -63.0 -41.3 48.5 19.2 25.0 17 19 A F H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.890 108.3 47.5 -57.5 -45.6 51.3 16.6 24.5 18 20 A K H X S+ 0 0 41 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.878 112.8 48.4 -65.9 -40.4 51.3 15.5 28.1 19 21 A A H X S+ 0 0 5 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.893 113.1 46.9 -68.5 -40.9 47.5 15.1 28.3 20 22 A L H X S+ 0 0 27 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.892 110.4 51.6 -69.3 -40.2 47.3 13.1 25.1 21 23 A V H X S+ 0 0 22 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.914 110.4 51.1 -63.3 -39.4 50.2 10.8 26.1 22 24 A L H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.961 112.0 45.1 -61.2 -51.6 48.4 10.2 29.4 23 25 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.902 111.1 55.3 -57.7 -42.3 45.1 9.4 27.6 24 26 A A H X S+ 0 0 12 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.881 111.6 41.7 -59.9 -43.8 47.0 7.1 25.1 25 27 A F H >X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 3,-0.8 0.862 110.9 56.2 -73.8 -35.3 48.6 5.0 27.8 26 28 A A H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 102.7 56.9 -65.5 -31.6 45.4 4.9 29.9 27 29 A Q H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 -5,-0.2 3,-0.2 0.693 118.3 30.8 -73.2 -18.5 43.5 3.4 26.9 28 30 A Y H << S+ 0 0 12 -3,-0.8 2,-1.6 -4,-0.5 77,-0.2 0.837 122.3 44.1-101.8 -56.7 45.9 0.5 26.6 29 31 A L >< + 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 -0.474 69.7 162.1 -89.1 64.3 47.1 -0.2 30.2 30 32 A Q T 3 + 0 0 12 -2,-1.6 -1,-0.2 1,-0.2 -4,-0.1 0.639 68.7 53.5 -59.4 -16.9 43.6 0.1 31.5 31 33 A Q T 3 S+ 0 0 108 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.683 82.5 100.2 -95.0 -21.1 44.7 -1.7 34.7 32 34 A C S < S- 0 0 11 -3,-1.0 5,-0.0 1,-0.1 2,-0.0 -0.349 76.4-107.8 -69.3 146.8 47.7 0.4 35.9 33 35 A P >> - 0 0 57 0, 0.0 4,-1.0 0, 0.0 3,-0.8 -0.293 27.0-108.9 -71.6 158.0 47.3 3.0 38.6 34 36 A F H >> S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.910 114.9 57.8 -50.4 -54.3 47.3 6.7 38.0 35 37 A E H 3> S+ 0 0 121 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.802 105.3 52.6 -50.2 -34.2 50.7 7.4 39.7 36 38 A D H <> S+ 0 0 92 -3,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.770 108.6 48.5 -76.5 -27.1 52.3 4.9 37.2 37 39 A H H < - 0 0 88 -4,-1.9 3,-2.5 -5,-0.2 -1,-0.3 -0.844 62.2-160.8-144.2 102.2 68.8 18.0 19.3 55 57 A E T 3 S+ 0 0 57 -2,-0.3 -1,-0.1 -3,-0.3 -49,-0.1 0.756 94.9 52.7 -50.5 -29.4 67.0 16.2 16.5 56 58 A S T 3 S+ 0 0 101 4,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.388 77.5 129.1 -93.3 3.6 69.9 13.7 16.3 57 59 A A S X S- 0 0 19 -3,-2.5 3,-2.2 -7,-0.2 4,-0.3 -0.227 76.5 -68.9 -58.1 148.6 69.9 12.6 20.0 58 60 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 2,-0.1 -7,-0.0 0.009 117.2 2.3 -41.5 138.0 69.7 8.9 20.6 59 61 A N T > S+ 0 0 74 1,-0.1 3,-0.9 -3,-0.1 -1,-0.3 0.314 95.2 112.9 64.2 -5.6 66.4 7.2 19.7 60 62 A a T < + 0 0 0 -3,-2.2 -56,-0.4 1,-0.2 -55,-0.3 0.711 69.5 62.6 -67.5 -19.1 64.9 10.4 18.4 61 63 A D T 3 S+ 0 0 117 -4,-0.3 -1,-0.2 -58,-0.2 -57,-0.2 0.755 82.5 101.5 -77.3 -25.1 64.9 8.9 14.9 62 64 A K S < S- 0 0 79 -3,-0.9 -57,-0.4 1,-0.1 -58,-0.4 -0.222 77.4-106.7 -64.1 149.4 62.5 6.1 15.8 63 65 A S > - 0 0 40 -59,-0.1 4,-2.3 -60,-0.1 5,-0.2 -0.188 25.7-109.8 -71.1 165.9 58.8 6.3 14.9 64 66 A L H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.918 116.9 51.1 -64.2 -47.1 56.0 6.9 17.3 65 67 A H H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.946 112.8 47.8 -55.9 -47.5 54.6 3.4 17.1 66 68 A T H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 114.1 44.4 -60.6 -44.9 58.0 2.0 17.8 67 69 A L H X S+ 0 0 32 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.892 112.9 52.9 -68.3 -38.8 58.7 4.3 20.8 68 70 A F H X S+ 0 0 38 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.912 110.8 46.8 -62.4 -45.2 55.2 3.7 22.1 69 71 A G H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.2 0.920 109.8 51.1 -65.0 -45.7 55.6 -0.0 22.1 70 72 A D H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.911 114.3 44.8 -60.3 -40.6 59.1 -0.2 23.7 71 73 A K H >X S+ 0 0 46 -4,-1.9 3,-1.2 1,-0.2 4,-0.5 0.875 112.6 51.7 -70.2 -35.2 57.9 2.0 26.5 72 74 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.924 108.0 51.4 -66.1 -42.6 54.7 -0.0 26.8 73 75 A b T 3< S+ 0 0 37 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.357 94.1 78.5 -75.7 7.9 56.8 -3.2 27.0 74 76 A T T <4 + 0 0 82 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.800 62.6 108.3 -83.4 -34.5 58.7 -1.5 29.8 75 77 A V X< - 0 0 27 -3,-1.2 3,-1.1 -4,-0.5 4,-0.2 -0.262 61.2-152.6 -51.7 116.2 56.1 -2.1 32.4 76 78 A A T 3 S+ 0 0 108 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.743 92.1 45.4 -65.0 -29.5 57.6 -4.8 34.7 77 79 A T T 3> S+ 0 0 75 1,-0.2 4,-3.4 2,-0.1 5,-0.5 0.356 76.1 116.8 -97.7 6.0 54.2 -6.3 35.8 78 80 A L H <>>S+ 0 0 8 -3,-1.1 4,-2.8 1,-0.2 5,-0.6 0.842 82.0 40.0 -38.0 -51.0 52.9 -6.4 32.2 79 81 A R H >5S+ 0 0 145 -3,-0.3 4,-1.1 -4,-0.2 -1,-0.2 0.916 116.3 47.1 -70.3 -46.7 52.7 -10.2 32.3 80 82 A E H 45S+ 0 0 92 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.872 126.5 30.7 -64.4 -34.7 51.4 -10.7 35.9 81 83 A T H <5S+ 0 0 68 -4,-3.4 -2,-0.2 2,-0.1 -3,-0.2 0.884 137.2 19.8 -90.4 -47.6 48.8 -8.0 35.3 82 84 A Y H ><5S- 0 0 30 -4,-2.8 3,-1.4 -5,-0.5 2,-0.4 0.533 81.1-179.5-103.0 -10.4 47.8 -8.1 31.7 83 85 A G G >X4 S+ 0 0 138 -2,-0.4 3,-1.2 1,-0.3 4,-0.5 0.810 110.7 62.4 -44.1 -41.9 48.4 -12.3 27.3 85 87 A M G X4 S+ 0 0 14 -3,-1.4 3,-2.0 1,-0.3 4,-0.4 0.862 93.0 63.3 -56.7 -38.7 49.3 -8.7 26.3 86 88 A A G X4 S+ 0 0 11 -3,-1.6 3,-1.6 -8,-0.4 -1,-0.3 0.830 92.3 64.8 -56.1 -32.8 52.9 -9.2 27.6 87 89 A D G XX S+ 0 0 86 -3,-1.2 3,-1.5 -4,-0.7 4,-0.5 0.761 88.2 70.3 -62.1 -23.5 53.2 -11.9 24.8 88 90 A c G X4 S+ 0 0 0 -3,-2.0 3,-0.7 -4,-0.5 -1,-0.3 0.789 86.2 66.8 -63.1 -28.6 52.8 -9.0 22.4 89 91 A b G <4 S+ 0 0 40 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.645 89.6 64.6 -69.0 -14.7 56.2 -7.7 23.4 90 92 A A G <4 S+ 0 0 81 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.807 93.5 70.3 -79.5 -29.9 57.9 -10.7 21.9 91 93 A K S << S- 0 0 86 -3,-0.7 2,-0.2 -4,-0.5 0, 0.0 -0.399 83.5-115.2 -86.0 165.6 56.9 -9.9 18.3 92 94 A Q >> - 0 0 139 1,-0.1 4,-1.4 -2,-0.1 3,-0.8 -0.598 47.4 -57.6 -97.8 160.7 58.2 -7.0 16.2 93 95 A E T 34 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.3 -27,-0.0 -0.409 117.6 29.7 -66.0 151.0 56.3 -4.0 14.9 94 96 A P T 3> S+ 0 0 104 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 -0.994 126.9 48.5 -81.0 -9.5 53.9 -3.7 13.2 95 97 A E H <> S+ 0 0 123 -3,-0.8 4,-3.0 1,-0.2 -2,-0.3 0.879 108.8 57.4 -56.4 -39.4 52.8 -7.0 14.6 96 98 A R H X S+ 0 0 14 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.952 110.3 40.4 -57.5 -53.9 53.5 -5.7 18.1 97 99 A N H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 115.7 51.6 -63.2 -41.1 51.2 -2.7 17.8 98 100 A E H X S+ 0 0 72 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.907 109.2 51.8 -62.0 -40.7 48.6 -4.8 16.0 99 101 A c H X S+ 0 0 8 -4,-3.0 4,-0.7 -5,-0.2 -2,-0.2 0.915 108.6 50.4 -61.4 -45.0 48.8 -7.3 18.8 100 102 A F H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.889 105.2 57.1 -61.6 -40.5 48.3 -4.6 21.4 101 103 A L H >< S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.908 102.1 55.4 -56.5 -45.1 45.2 -3.3 19.6 102 104 A Q H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.689 105.8 52.9 -63.1 -20.7 43.5 -6.7 19.8 103 105 A H T << S+ 0 0 52 -3,-1.0 2,-0.7 -4,-0.7 -1,-0.3 0.403 75.6 113.5 -99.0 2.8 43.9 -6.7 23.6 104 106 A K < - 0 0 12 -3,-1.4 2,-0.8 -4,-0.4 -76,-0.1 -0.650 65.5-138.9 -76.1 114.6 42.3 -3.4 24.3 105 107 A D - 0 0 82 -2,-0.7 -2,-0.1 -77,-0.2 -1,-0.1 -0.672 11.1-160.6 -84.0 107.9 39.1 -4.3 26.2 106 108 A D S S+ 0 0 60 -2,-0.8 40,-0.2 1,-0.3 -1,-0.2 0.862 88.1 28.5 -52.0 -45.8 36.2 -2.1 25.1 107 109 A N S S- 0 0 75 37,-0.1 -1,-0.3 38,-0.1 37,-0.1 -0.670 82.4-178.4-122.3 78.2 34.1 -2.8 28.2 108 110 A P - 0 0 28 0, 0.0 2,-1.1 0, 0.0 -4,-0.0 -0.206 35.2-108.8 -69.0 163.9 36.4 -3.4 31.1 109 111 A N + 0 0 168 3,-0.0 3,-0.0 0, 0.0 34,-0.0 -0.674 61.0 140.2-102.1 83.6 35.1 -4.2 34.5 110 112 A L - 0 0 37 -2,-1.1 3,-0.1 1,-0.1 0, 0.0 -0.836 59.6 -93.5-115.1 153.4 35.8 -1.2 36.6 111 113 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.295 53.5 -89.5 -63.6 155.1 33.4 0.3 39.2 112 114 A R - 0 0 187 1,-0.1 2,-0.5 -3,-0.0 -3,-0.0 -0.397 44.7-112.6 -64.1 142.1 31.0 3.0 37.9 113 115 A L - 0 0 57 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.667 35.5-147.5 -78.6 121.2 32.6 6.4 38.3 114 116 A V - 0 0 85 -2,-0.5 -1,-0.0 1,-0.0 0, 0.0 -0.751 11.4-123.0 -98.6 142.7 30.6 8.3 40.9 115 117 A R - 0 0 89 -2,-0.4 3,-0.1 1,-0.0 -1,-0.0 -0.677 31.9-146.7 -79.3 109.2 30.0 12.0 41.0 116 118 A P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.084 35.6 -67.6 -69.1 176.0 31.3 13.4 44.3 117 119 A E >> - 0 0 151 1,-0.1 4,-2.7 4,-0.1 3,-0.5 -0.366 43.8-117.2 -66.3 143.5 29.7 16.3 46.2 118 120 A V H 3> S+ 0 0 18 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.849 113.0 49.7 -48.2 -42.7 30.0 19.8 44.6 119 121 A D H 3> S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 111.0 45.7 -71.2 -35.2 32.0 21.1 47.6 120 122 A V H <> S+ 0 0 81 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.913 116.1 50.4 -72.9 -36.6 34.6 18.2 47.7 121 123 A M H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.972 112.2 43.8 -57.1 -62.0 34.8 18.6 43.9 122 124 A d H X S+ 0 0 5 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.807 114.1 51.8 -57.4 -34.0 35.4 22.4 44.0 123 125 A T H X S+ 0 0 78 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.910 109.7 47.6 -72.2 -40.1 37.8 22.1 46.8 124 126 A A H X S+ 0 0 42 -4,-2.3 4,-1.6 1,-0.2 8,-0.2 0.918 110.5 54.0 -64.9 -42.6 40.0 19.4 45.1 125 127 A F H < S+ 0 0 18 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.908 112.3 44.3 -56.2 -45.7 39.9 21.6 42.0 126 128 A H H >< S+ 0 0 153 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.960 112.8 48.0 -65.0 -55.8 41.2 24.6 43.9 127 129 A D H 3< S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.694 137.0 2.7 -62.4 -21.6 44.0 22.8 46.0 128 130 A N T 3X + 0 0 82 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 -0.246 65.3 178.4-167.9 68.4 45.4 21.0 43.0 129 131 A E H <> S+ 0 0 76 -3,-0.6 4,-1.6 -4,-0.3 5,-0.2 0.822 80.3 50.2 -41.4 -47.7 43.8 21.8 39.6 130 132 A E H > S+ 0 0 96 1,-0.2 4,-3.2 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107.0 50.6 -66.3 -45.4 16.8 2.9 -7.4 353 355 A T H X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.811 113.1 49.6 -63.2 -28.5 14.0 0.3 -7.2 354 356 A T H < S+ 0 0 13 -4,-1.7 5,-0.3 -5,-0.2 -2,-0.2 0.946 108.3 48.7 -76.7 -50.1 12.2 2.3 -9.9 355 357 A L H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-1.0 0.885 113.9 49.5 -57.6 -37.6 15.1 2.7 -12.3 356 358 A E H 3< S+ 0 0 88 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.946 114.9 41.9 -65.5 -48.9 15.7 -1.1 -12.0 357 359 A K T 3< S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 -0.012 123.6 39.4 -88.4 28.4 12.1 -2.0 -12.6 358 360 A k T X4 S+ 0 0 6 -3,-1.0 3,-0.8 10,-0.0 9,-0.2 0.424 102.6 61.7-145.8 -26.2 11.6 0.5 -15.4 359 361 A j T 3< S+ 0 0 43 -4,-2.1 -2,-0.1 -5,-0.3 -3,-0.1 0.531 102.2 59.4 -84.0 -3.8 14.8 0.5 -17.4 360 362 A A T 3 S+ 0 0 90 -4,-0.4 2,-0.3 -5,-0.2 -1,-0.2 -0.112 97.8 78.6-111.6 32.2 14.0 -3.2 -18.2 361 363 A A S < S- 0 0 47 -3,-0.8 6,-0.1 1,-0.2 -3,-0.0 -0.983 91.5 -87.1-143.8 154.6 10.7 -2.4 -19.8 362 364 A A S S+ 0 0 109 -2,-0.3 -1,-0.2 1,-0.2 -4,-0.0 0.729 111.4 12.6 -17.0 -97.1 9.3 -1.2 -23.1 363 365 A D >> - 0 0 101 1,-0.2 3,-1.1 -3,-0.1 4,-1.1 -0.824 68.3-170.8 -99.6 102.0 9.2 2.6 -22.9 364 366 A P H >> S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 3,-1.5 0.952 78.1 64.7 -51.1 -62.1 11.3 3.7 -19.9 365 367 A H H 34 S+ 0 0 69 1,-0.3 -6,-0.1 2,-0.2 -2,-0.0 0.609 108.1 42.2 -40.7 -22.2 10.3 7.4 -19.9 366 368 A E H <4 S+ 0 0 65 -3,-1.1 4,-0.3 2,-0.1 -1,-0.3 0.740 108.4 57.0 -99.7 -28.7 6.7 6.5 -19.1 367 369 A k H << S+ 0 0 63 -3,-1.5 3,-0.4 -4,-1.1 -2,-0.2 0.933 119.9 29.7 -67.4 -47.6 7.3 3.8 -16.5 368 370 A Y S >< S+ 0 0 3 -4,-1.8 3,-1.7 1,-0.2 4,-0.3 0.331 90.0 108.6 -95.5 6.6 9.4 6.0 -14.2 369 371 A A T 3 S+ 0 0 49 -5,-0.4 3,-0.2 1,-0.3 -1,-0.2 0.780 82.8 40.9 -54.3 -31.8 7.5 9.2 -15.3 370 372 A K T >> S+ 0 0 52 -3,-0.4 3,-2.2 -4,-0.3 4,-0.5 0.169 73.9 119.4-107.2 20.4 5.7 9.5 -11.9 371 373 A V H X> S+ 0 0 2 -3,-1.7 3,-3.0 1,-0.3 4,-0.9 0.907 70.6 61.8 -48.7 -51.8 8.5 8.6 -9.5 372 374 A F H 3> S+ 0 0 64 1,-0.3 4,-0.9 -4,-0.3 -1,-0.3 0.665 95.3 64.0 -52.0 -15.9 8.4 12.0 -7.7 373 375 A D H <4 S+ 0 0 118 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.739 98.0 53.6 -81.2 -22.2 4.8 11.1 -6.8 374 376 A E H X S+ 0 0 4 -4,-0.9 4,-2.4 1,-0.2 3,-0.9 0.896 87.0 74.6 -68.3 -40.2 8.3 10.6 -2.8 376 378 A K H 3X S+ 0 0 135 -4,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.839 98.9 40.1 -41.9 -55.6 5.4 12.6 -1.4 377 379 A P H 3> S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.779 112.7 57.1 -71.2 -22.8 4.2 10.2 1.2 378 380 A L H << S+ 0 0 52 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.928 111.8 42.2 -69.4 -44.3 7.8 9.2 2.2 379 381 A V H X S+ 0 0 11 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.908 114.7 50.4 -67.1 -45.0 8.5 12.9 2.9 380 382 A E H X S+ 0 0 67 -4,-2.3 4,-3.3 -5,-0.3 5,-0.3 0.783 95.9 69.3 -67.2 -32.4 5.2 13.6 4.7 381 383 A E H X S+ 0 0 69 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.970 106.5 37.3 -53.5 -58.7 5.3 10.6 7.1 382 384 A P H > S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.928 116.8 53.1 -61.9 -42.4 8.2 11.9 9.2 383 385 A Q H X S+ 0 0 61 -4,-1.4 4,-2.4 1,-0.2 3,-0.4 0.948 106.9 51.5 -56.7 -50.6 7.0 15.5 8.9 384 386 A N H X S+ 0 0 94 -4,-3.3 4,-2.5 1,-0.3 5,-0.2 0.891 108.7 51.8 -55.2 -40.8 3.5 14.6 10.2 385 387 A L H X S+ 0 0 50 -4,-1.8 4,-2.3 -5,-0.3 5,-0.3 0.864 109.4 51.4 -64.5 -34.9 5.1 12.8 13.2 386 388 A I H X S+ 0 0 33 -4,-1.9 4,-2.6 -3,-0.4 5,-0.2 0.961 114.2 40.1 -67.3 -52.1 7.1 16.0 14.0 387 389 A K H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.962 118.2 49.0 -60.1 -51.4 4.2 18.4 13.9 388 390 A Q H X S+ 0 0 109 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.933 117.3 38.9 -54.5 -53.2 1.9 16.0 15.7 389 391 A N H X S+ 0 0 31 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.841 115.5 52.4 -70.7 -32.6 4.3 15.1 18.5 390 392 A l H X S+ 0 0 10 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.861 108.2 51.2 -72.8 -32.8 5.6 18.7 18.8 391 393 A E H >X S+ 0 0 119 -4,-2.6 3,-2.4 -5,-0.2 4,-2.0 0.997 112.0 46.3 -61.3 -62.1 2.1 20.1 19.2 392 394 A L H 3X S+ 0 0 44 -4,-1.9 4,-2.5 1,-0.3 -2,-0.2 0.842 106.9 59.5 -46.0 -42.4 1.3 17.6 22.0 393 395 A F H 3< S+ 0 0 32 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.773 108.5 44.9 -62.4 -25.5 4.6 18.3 23.6 394 396 A E H << S+ 0 0 150 -3,-2.4 -2,-0.2 -4,-0.9 -1,-0.2 0.858 108.6 54.0 -85.4 -39.6 3.5 22.0 23.9 395 397 A Q H < S+ 0 0 148 -4,-2.0 -2,-0.2 -5,-0.1 2,-0.1 0.968 123.7 28.6 -55.3 -54.3 0.0 21.2 25.2 396 398 A L S < S- 0 0 59 -4,-2.5 2,-0.1 -5,-0.2 3,-0.0 -0.423 95.8-119.2 -95.0 174.8 1.6 19.1 27.9 397 399 A G > - 0 0 42 -2,-0.1 4,-1.8 1,-0.0 5,-0.2 -0.296 43.9 -77.2-102.0-165.5 5.1 19.9 29.2 398 400 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.956 130.0 46.6 -58.0 -51.1 8.2 17.6 29.0 399 401 A Y H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 114.7 42.3 -57.4 -56.8 7.0 15.5 32.0 400 402 A K H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.831 113.4 56.2 -62.8 -29.9 3.3 15.0 31.0 401 403 A F H X S+ 0 0 8 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.887 104.7 52.2 -68.2 -38.7 4.6 14.4 27.4 402 404 A Q H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.906 106.7 53.0 -63.5 -40.7 6.8 11.7 28.7 403 405 A N H X S+ 0 0 21 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.902 105.5 54.0 -61.7 -41.4 3.9 10.0 30.4 404 406 A A H X S+ 0 0 32 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.909 109.8 47.8 -58.4 -44.2 1.9 10.0 27.2 405 407 A L H X S+ 0 0 4 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.846 108.5 55.4 -64.1 -36.9 4.8 8.2 25.5 406 408 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.913 110.1 44.4 -63.9 -45.0 5.0 5.7 28.3 407 409 A V H X S+ 0 0 26 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.910 115.3 49.8 -66.8 -40.7 1.3 4.8 28.0 408 410 A R H X S+ 0 0 74 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.909 117.2 37.8 -64.7 -44.6 1.7 4.6 24.2 409 411 A Y H X S+ 0 0 62 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.864 109.3 58.6 -79.3 -36.6 4.8 2.4 24.2 410 412 A T H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.914 109.1 48.4 -58.4 -39.1 3.9 0.1 27.1 411 413 A K H < S+ 0 0 47 -4,-1.4 81,-2.4 -5,-0.2 -1,-0.2 0.830 109.9 53.6 -68.0 -32.7 0.8 -0.8 25.1 412 414 A K H < S+ 0 0 40 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.964 130.0 9.6 -65.9 -55.3 2.9 -1.4 22.0 413 415 A V >< + 0 0 13 -4,-2.5 3,-1.3 1,-0.1 -1,-0.2 -0.679 65.6 169.7-130.4 77.2 5.4 -3.9 23.6 414 416 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.740 73.3 72.6 -58.7 -23.8 4.2 -4.9 27.1 415 417 A Q T 3 S+ 0 0 60 -3,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.836 75.8 99.0 -62.6 -34.9 6.9 -7.6 27.2 416 418 A V S < S- 0 0 14 -3,-1.3 2,-0.0 1,-0.1 -3,-0.0 -0.215 87.7 -94.3 -59.1 145.6 9.6 -5.0 27.7 417 419 A S >> - 0 0 57 1,-0.1 4,-2.3 4,-0.0 3,-0.7 -0.305 28.1-125.4 -60.5 136.1 11.0 -4.4 31.2 418 420 A T H 3> S+ 0 0 10 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.888 109.9 51.1 -50.9 -49.2 9.4 -1.5 33.1 419 421 A P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.837 110.3 50.7 -62.1 -29.6 12.8 0.2 33.8 420 422 A T H <> S+ 0 0 30 -3,-0.7 4,-2.8 2,-0.2 5,-0.3 0.930 110.2 48.9 -71.2 -46.2 13.7 0.0 30.1 421 423 A L H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.922 112.1 49.3 -57.5 -46.2 10.3 1.5 29.1 422 424 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.924 113.9 44.7 -61.1 -47.5 10.7 4.3 31.6 423 425 A E H X S+ 0 0 90 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.950 115.0 46.5 -64.1 -50.2 14.3 5.2 30.5 424 426 A V H X S+ 0 0 13 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.925 113.5 50.2 -57.4 -46.5 13.5 5.0 26.8 425 427 A S H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.897 109.2 50.4 -61.2 -42.5 10.4 7.1 27.2 426 428 A R H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.927 112.7 47.1 -63.3 -42.6 12.2 9.8 29.2 427 429 A N H X S+ 0 0 35 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 110.6 51.0 -64.6 -41.7 14.9 10.0 26.6 428 430 A L H X S+ 0 0 23 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.918 107.8 56.9 -60.0 -39.6 12.3 10.2 23.8 429 431 A G H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 3,-0.5 0.927 105.0 48.4 -56.0 -50.6 10.8 13.0 25.9 430 432 A K H X S+ 0 0 76 -4,-2.0 4,-2.3 1,-0.3 3,-0.5 0.948 103.0 60.5 -56.2 -51.8 14.0 15.0 25.9 431 433 A V H X S+ 0 0 12 -4,-2.3 4,-1.0 1,-0.3 5,-0.3 0.870 105.6 52.6 -44.2 -37.9 14.4 14.7 22.2 432 434 A G H X S+ 0 0 11 -4,-1.5 4,-2.1 -3,-0.5 3,-0.4 0.920 112.0 40.6 -65.4 -46.8 11.0 16.4 22.1 433 435 A S H < S+ 0 0 39 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.613 118.8 48.8 -78.4 -11.5 12.0 19.4 24.3 434 436 A K H < S+ 0 0 99 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.524 122.5 29.1-104.3 -7.5 15.4 19.6 22.6 435 437 A m H >< S+ 0 0 7 -4,-1.0 3,-1.4 -3,-0.4 -3,-0.2 0.684 107.2 64.2-119.8 -35.2 14.2 19.5 19.0 436 438 A l T 3< S+ 0 0 11 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.610 91.9 71.7 -68.2 -9.3 10.7 21.0 18.9 437 439 A K T 3 S+ 0 0 86 -5,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.747 86.0 77.5 -77.4 -24.0 12.3 24.3 20.0 438 440 A H S < S- 0 0 74 -3,-1.4 2,-0.1 1,-0.1 5,-0.1 -0.366 95.5 -93.5 -81.9 164.8 13.8 24.9 16.6 439 441 A P >> - 0 0 92 0, 0.0 3,-2.6 0, 0.0 4,-0.6 -0.495 47.1 -95.0 -77.5 152.2 11.9 26.1 13.6 440 442 A E H >> S+ 0 0 144 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.695 118.3 69.9 -35.4 -35.4 10.5 23.5 11.2 441 443 A A H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.776 110.0 30.4 -60.8 -28.6 13.5 23.6 8.9 442 444 A K H <> S+ 0 0 60 -3,-2.6 4,-1.4 2,-0.1 -1,-0.2 0.353 94.0 94.0-112.7 4.3 15.8 22.0 11.4 443 445 A R H S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 112.4 53.0 -62.6 -34.8 17.7 16.5 11.2 446 448 A m H X S+ 0 0 13 -4,-1.4 4,-2.2 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