==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-07 3BNJ . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: WOLINELLA SUCCINOGENES; . AUTHOR P.LUKAT,O.EINSLE . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 68.4 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 . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 3 0 2 1 2 2 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 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 . 5 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 37 A K 0 0 222 0, 0.0 139,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.6 34.5 66.5 48.7 2 38 A T > - 0 0 27 137,-0.4 3,-0.7 1,-0.1 139,-0.0 -0.267 360.0-110.4 -93.3 175.8 35.5 63.2 47.3 3 39 A A T 3 S+ 0 0 82 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.377 120.0 47.8 -81.6 2.3 38.3 60.7 48.0 4 40 A H T > + 0 0 6 135,-0.4 3,-2.4 1,-0.1 -1,-0.2 -0.229 68.2 146.8-134.9 43.4 39.8 61.7 44.6 5 41 A S T < S+ 0 0 38 -3,-0.7 3,-0.1 1,-0.3 -2,-0.1 0.662 71.8 51.9 -64.5 -18.8 39.7 65.5 45.0 6 42 A Q T 3 S- 0 0 167 1,-0.4 -1,-0.3 -3,-0.1 133,-0.1 0.397 121.8 -98.4 -96.5 5.5 42.9 66.1 43.0 7 43 A G < - 0 0 22 -3,-2.4 2,-0.5 131,-0.3 -1,-0.4 -0.376 38.1 -74.6 105.1 174.7 41.6 64.0 40.1 8 44 A I > - 0 0 10 -2,-0.1 3,-1.5 -3,-0.1 2,-0.3 -0.946 32.9-133.0-118.1 120.8 42.1 60.4 38.9 9 45 A E T 3 S+ 0 0 183 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.574 101.1 16.0 -66.4 127.2 45.2 59.2 37.2 10 46 A G T > S+ 0 0 30 -2,-0.3 3,-2.5 2,-0.0 6,-0.4 0.752 82.4 165.1 76.2 25.4 44.1 57.3 34.2 11 47 A K T < + 0 0 64 -3,-1.5 122,-0.4 1,-0.3 -2,-0.1 0.701 64.4 65.1 -47.4 -32.2 40.6 58.8 34.5 12 48 A A T 3 S+ 0 0 4 -4,-0.1 2,-0.7 120,-0.1 -1,-0.3 0.783 88.2 78.0 -68.2 -21.5 39.5 57.8 30.9 13 49 A M S X S- 0 0 29 -3,-2.5 3,-2.2 1,-0.2 4,-0.3 -0.788 74.7-153.6 -90.3 113.2 39.7 54.2 32.0 14 50 A S G >> S+ 0 0 2 -2,-0.7 3,-2.3 1,-0.3 4,-0.6 0.797 90.3 72.0 -60.0 -26.9 36.6 53.5 34.1 15 51 A E G >4 S+ 0 0 43 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.793 87.6 64.7 -59.6 -23.9 38.4 50.8 36.0 16 52 A E G <4 S+ 0 0 77 -3,-2.2 -1,-0.3 -6,-0.4 3,-0.2 0.644 98.6 53.1 -70.0 -17.7 40.3 53.6 37.7 17 53 A W G X> S+ 0 0 6 -3,-2.3 4,-2.2 -4,-0.3 3,-1.3 0.594 85.6 86.3 -92.9 -13.5 37.1 54.8 39.3 18 54 A A T << S+ 0 0 25 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.806 79.3 62.0 -60.1 -31.9 36.3 51.4 40.7 19 55 A R T 34 S+ 0 0 196 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.790 115.1 33.3 -67.7 -25.5 38.4 52.0 43.9 20 56 A Y T <4 S+ 0 0 72 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.790 132.5 26.5 -95.1 -34.5 36.1 54.9 44.8 21 57 A Y X + 0 0 61 -4,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.544 62.5 160.1-133.5 64.7 32.8 53.8 43.5 22 58 A P H > S+ 0 0 88 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.842 76.5 53.2 -60.8 -31.8 32.7 50.0 43.4 23 59 A R H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.951 112.6 40.8 -70.2 -51.2 28.8 49.9 43.3 24 60 A Q H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 114.9 54.1 -65.1 -36.3 28.4 52.2 40.3 25 61 A F H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.939 108.5 49.1 -60.7 -44.6 31.3 50.6 38.6 26 62 A D H X S+ 0 0 87 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.916 115.4 42.1 -63.4 -43.9 29.7 47.2 39.0 27 63 A S H >< S+ 0 0 13 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.908 111.4 56.0 -72.3 -38.8 26.3 48.3 37.7 28 64 A W H >< S+ 0 0 38 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.910 105.5 52.6 -55.3 -42.5 27.9 50.3 34.8 29 65 A K H >< S+ 0 0 62 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.761 91.8 77.2 -67.3 -22.2 29.8 47.1 33.7 30 66 A K G X< + 0 0 86 -4,-0.8 3,-2.4 -3,-0.7 -1,-0.3 0.582 65.9 85.8 -72.3 -5.8 26.6 45.2 33.6 31 67 A T G X S+ 0 0 1 -3,-1.4 3,-1.5 1,-0.3 34,-0.3 0.691 71.5 82.0 -65.9 -10.8 25.5 46.8 30.3 32 68 A K G < S+ 0 0 70 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.781 78.7 68.4 -53.4 -27.5 27.7 43.9 29.0 33 69 A E G < S+ 0 0 121 -3,-2.4 2,-1.4 1,-0.2 -1,-0.3 0.761 83.3 72.1 -66.5 -26.6 24.4 41.9 29.5 34 70 A S < + 0 0 32 -3,-1.5 31,-2.8 -4,-0.3 -1,-0.2 -0.671 59.2 139.1 -90.6 80.0 22.7 43.8 26.7 35 71 A D + 0 0 20 -2,-1.4 -1,-0.2 29,-0.2 2,-0.1 0.359 19.7 130.6-109.3 4.1 24.6 42.1 23.9 36 72 A N - 0 0 113 -3,-0.1 2,-0.7 27,-0.1 29,-0.0 -0.382 43.4-153.4 -67.9 132.2 21.9 41.5 21.3 37 73 A I - 0 0 37 426,-0.1 2,-0.7 -2,-0.1 426,-0.1 -0.938 11.9-173.4-102.7 109.8 22.7 42.5 17.7 38 74 A T - 0 0 56 -2,-0.7 24,-2.6 24,-0.3 2,-0.8 -0.950 18.9-142.8-103.3 113.9 19.4 43.3 16.0 39 75 A D B > -A 61 0A 16 -2,-0.7 4,-1.9 22,-0.2 3,-0.3 -0.699 13.3-167.8 -79.8 107.7 20.2 43.9 12.3 40 76 A M H > S+ 0 0 15 20,-1.8 4,-2.7 -2,-0.8 7,-0.2 0.742 84.6 58.8 -74.7 -22.5 17.7 46.7 11.5 41 77 A L H 4 S+ 0 0 0 19,-1.0 -1,-0.2 2,-0.2 7,-0.2 0.817 108.4 46.9 -71.4 -31.0 18.4 46.4 7.7 42 78 A K H 4 S+ 0 0 123 -3,-0.3 370,-0.2 1,-0.1 -2,-0.2 0.900 118.1 41.5 -72.5 -41.6 17.2 42.8 8.0 43 79 A E H < S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.874 131.8 23.4 -73.2 -37.6 14.2 43.8 10.0 44 80 A K >< + 0 0 17 -4,-2.7 3,-2.4 -5,-0.1 4,-0.4 -0.678 65.9 172.5-131.4 73.6 13.3 46.8 8.0 45 81 A P T >> S+ 0 0 15 0, 0.0 3,-1.4 0, 0.0 4,-1.1 0.734 72.5 75.8 -62.1 -19.0 14.8 46.4 4.5 46 82 A A H 3> S+ 0 0 20 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.814 85.7 65.6 -56.9 -29.2 13.0 49.5 3.4 47 83 A L H <> S+ 0 0 1 -3,-2.4 4,-2.2 -7,-0.2 -1,-0.3 0.813 92.9 59.3 -62.7 -31.2 15.7 51.4 5.3 48 84 A V H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.932 108.5 44.1 -63.7 -43.7 18.3 50.1 2.8 49 85 A V H >< S+ 0 0 0 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.936 112.2 53.1 -65.1 -42.5 16.5 51.8 0.0 50 86 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.874 116.5 39.7 -56.1 -38.6 16.0 54.9 2.1 51 87 A W T >< S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.2 6,-0.6 0.181 78.4 145.4-104.6 18.2 19.7 55.0 2.8 52 88 A A T < S+ 0 0 0 -3,-1.5 178,-2.5 1,-0.3 179,-0.3 -0.336 74.3 25.3 -55.7 131.6 21.0 54.0 -0.7 53 89 A G T 3 S+ 0 0 53 366,-0.4 -1,-0.3 1,-0.3 175,-0.2 0.414 110.4 90.8 92.4 -1.0 24.3 55.9 -1.2 54 90 A Y S X S- 0 0 36 -3,-2.4 3,-2.3 -6,-0.2 -1,-0.3 -0.919 86.7-113.3-129.7 150.1 24.9 56.2 2.5 55 91 A P G >> S+ 0 0 35 0, 0.0 3,-2.2 0, 0.0 4,-1.2 0.771 108.8 71.4 -58.9 -24.5 26.8 53.9 4.9 56 92 A F G 34 S+ 0 0 21 1,-0.3 -4,-0.1 2,-0.2 -5,-0.1 0.691 85.9 67.5 -65.6 -14.0 23.7 53.0 6.8 57 93 A S G <4 S+ 0 0 5 -3,-2.3 -1,-0.3 -6,-0.6 3,-0.1 0.612 103.0 47.8 -77.6 -10.0 22.6 51.0 3.8 58 94 A K T <4 S- 0 0 25 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.842 129.2 -4.0 -91.2 -45.7 25.6 48.7 4.6 59 95 A D < + 0 0 1 -4,-1.2 -1,-0.3 17,-0.1 2,-0.3 -0.956 61.2 156.9-159.4 125.2 25.1 48.1 8.3 60 96 A Y + 0 0 20 -2,-0.3 -20,-1.8 -3,-0.1 -19,-1.0 -0.814 14.3 174.6-156.9 111.6 22.7 49.4 10.8 61 97 A N B -A 39 0A 32 -2,-0.3 -22,-0.2 -22,-0.2 3,-0.1 -0.809 36.1 -97.9-116.6 159.8 21.9 47.6 14.0 62 98 A A - 0 0 21 -24,-2.6 -24,-0.3 -2,-0.3 -1,-0.1 -0.319 53.2 -90.3 -66.0 157.9 19.8 48.5 17.0 63 99 A P - 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.343 46.4-178.7 -67.0 153.0 21.6 49.9 20.0 64 100 A R - 0 0 28 1,-0.2 -29,-0.2 -3,-0.1 -32,-0.1 -0.635 43.6 -32.2-133.4-161.6 22.9 47.5 22.6 65 101 A G > - 0 0 4 -31,-2.8 3,-2.6 -34,-0.3 4,-0.3 -0.133 51.2-119.7 -64.1 150.7 24.7 48.1 25.9 66 102 A H G > S+ 0 0 43 213,-0.4 3,-1.8 1,-0.3 4,-0.4 0.790 109.6 74.7 -53.1 -30.9 27.1 50.9 26.4 67 103 A Y G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -39,-0.2 4,-0.3 0.749 101.0 41.9 -49.5 -30.3 29.7 48.2 27.1 68 104 A Y G <> S+ 0 0 0 -3,-2.6 4,-3.0 -34,-0.2 5,-0.3 0.392 83.6 102.4-102.2 2.1 29.8 47.5 23.3 69 105 A A H <> S+ 0 0 15 -3,-1.8 4,-2.0 -4,-0.3 5,-0.1 0.912 85.4 41.1 -59.7 -48.9 29.7 51.1 22.0 70 106 A L H > S+ 0 0 9 -4,-0.4 4,-1.9 28,-0.3 -1,-0.2 0.950 117.8 47.6 -65.6 -44.9 33.4 51.4 21.1 71 107 A Q H > S+ 0 0 4 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.873 110.4 51.8 -66.6 -35.2 33.6 47.9 19.7 72 108 A D H X S+ 0 0 37 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.886 106.3 54.8 -68.7 -34.0 30.4 48.3 17.7 73 109 A N H < S+ 0 0 12 -4,-2.0 6,-0.2 -5,-0.3 -1,-0.2 0.894 113.5 42.7 -60.7 -39.7 31.9 51.5 16.3 74 110 A I H < S+ 0 0 4 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.8 45.8 -72.6 -39.1 34.9 49.4 15.2 75 111 A N H < S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.780 83.8 105.0 -79.8 -30.1 32.8 46.5 13.9 76 112 A T S >< S- 0 0 12 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 -0.237 73.4-131.7 -56.5 142.5 30.2 48.3 11.9 77 113 A L G > S+ 0 0 1 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.759 101.0 78.1 -64.5 -17.5 30.7 48.1 8.2 78 114 A R G 3 S+ 0 0 61 1,-0.3 -1,-0.2 -19,-0.1 -22,-0.1 0.866 90.9 49.7 -61.1 -35.9 30.1 51.8 8.2 79 115 A T G < S- 0 0 2 -3,-1.2 11,-0.3 -6,-0.2 -1,-0.3 0.544 98.1-166.0 -80.8 -5.9 33.7 52.5 9.4 80 116 A G < - 0 0 2 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.099 34.5 -48.6 61.9-150.1 35.0 50.2 6.7 81 117 A A - 0 0 16 352,-0.1 7,-0.2 -4,-0.1 -1,-0.2 -0.667 52.3-170.8-135.8 76.2 38.5 48.9 6.6 82 118 A P - 0 0 2 0, 0.0 355,-0.2 0, 0.0 3,-0.1 -0.276 12.2-161.6 -59.8 152.2 41.3 51.4 7.1 83 119 A V S S- 0 0 109 1,-0.2 2,-0.3 354,-0.1 5,-0.0 0.479 74.8 -8.1-108.6 -11.8 44.8 50.2 6.5 84 120 A D S > S- 0 0 71 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.892 93.1 -70.4-164.1-173.0 46.4 53.0 8.5 85 121 A G T 3 S+ 0 0 31 -2,-0.3 33,-0.5 1,-0.2 36,-0.3 0.516 125.3 52.2 -71.9 -5.2 45.6 56.3 10.2 86 122 A K T 3 S+ 0 0 176 34,-0.2 -1,-0.2 31,-0.1 2,-0.2 0.273 101.8 67.4-114.6 6.0 44.9 58.1 6.9 87 123 A T < + 0 0 46 -3,-1.2 33,-0.6 31,-0.1 34,-0.1 -0.612 53.5 79.8-123.8-177.2 42.5 55.7 5.3 88 124 A G S S- 0 0 18 -7,-0.2 -8,-0.1 -2,-0.2 -9,-0.1 -0.006 77.1 -91.3 92.1 154.9 38.9 54.4 5.8 89 125 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.787 95.3 64.5 -72.4 -29.8 35.7 56.0 4.8 90 126 A L S S- 0 0 34 -11,-0.3 29,-2.9 1,-0.1 30,-0.4 -0.601 73.2-117.9-111.0 157.6 34.7 58.0 8.0 91 127 A P B > -B 118 0B 22 0, 0.0 3,-2.0 0, 0.0 27,-0.3 -0.280 35.7 -96.6 -87.9 172.9 36.2 60.8 10.0 92 128 A S G > S+ 0 0 0 25,-2.4 3,-2.2 1,-0.3 4,-0.3 0.750 111.6 79.0 -61.3 -24.5 37.5 61.1 13.5 93 129 A A G > S+ 0 0 4 24,-0.3 3,-1.5 1,-0.3 4,-0.3 0.715 74.9 78.4 -57.6 -20.4 34.1 62.5 14.7 94 130 A C G < S+ 0 0 23 -3,-2.0 -1,-0.3 1,-0.3 3,-0.3 0.686 89.3 53.7 -66.2 -15.6 32.8 58.9 14.6 95 131 A W G X S+ 0 0 0 -3,-2.2 3,-2.2 1,-0.2 4,-0.5 0.673 82.8 96.6 -79.9 -16.8 34.6 58.2 18.0 96 132 A T T < S+ 0 0 2 -3,-1.5 3,-0.3 -4,-0.3 -1,-0.2 0.704 89.2 32.4 -55.8 -37.9 32.9 61.1 19.7 97 133 A C T 3 S+ 0 0 26 -4,-0.3 -1,-0.3 -3,-0.3 33,-0.1 -0.016 111.1 66.0-109.8 28.6 30.0 59.4 21.4 98 134 A K S < S+ 0 0 59 -3,-2.2 32,-0.9 1,-0.2 -28,-0.3 0.469 96.4 33.7-123.8 -6.6 31.7 56.1 22.0 99 135 A S > - 0 0 0 -4,-0.5 3,-1.2 -3,-0.3 -1,-0.2 -0.996 56.0-134.7-161.3 141.3 34.4 56.6 24.5 100 136 A P T 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 29,-0.1 0.623 104.0 74.6 -74.7 -9.5 35.8 58.5 27.5 101 137 A D H 3> S+ 0 0 1 27,-0.4 4,-2.6 1,-0.2 5,-0.2 0.701 83.1 72.0 -70.8 -18.3 39.0 58.8 25.6 102 138 A V H <> S+ 0 0 0 -3,-1.2 4,-3.1 2,-0.2 5,-0.2 0.982 100.4 38.4 -63.1 -58.7 37.2 61.4 23.5 103 139 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.906 114.9 57.7 -60.6 -32.9 37.2 64.1 26.2 104 140 A R H X S+ 0 0 21 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.938 111.9 40.2 -54.1 -49.4 40.7 63.0 27.1 105 141 A I H X>S+ 0 0 2 -4,-2.6 4,-4.2 2,-0.2 5,-0.7 0.894 115.2 50.9 -70.3 -41.6 41.9 63.6 23.6 106 142 A I H X5S+ 0 0 15 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.919 109.1 51.3 -60.0 -43.1 39.8 66.9 23.2 107 143 A E H <5S+ 0 0 103 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.719 123.2 32.3 -67.6 -19.5 41.3 68.2 26.5 108 144 A Q H <5S+ 0 0 122 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.827 130.8 28.1-102.9 -49.3 44.8 67.4 25.1 109 145 A D H <5S- 0 0 60 -4,-4.2 4,-0.3 1,-0.1 -3,-0.2 0.709 109.5-116.5 -84.8 -25.8 44.7 67.9 21.3 110 146 A G X< - 0 0 30 -4,-1.5 4,-2.4 -5,-0.7 5,-0.2 -0.034 29.1 -83.8 92.4 154.0 41.9 70.5 21.3 111 147 A E H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.917 126.2 48.7 -59.3 -48.5 38.5 70.1 19.8 112 148 A L H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 88,-0.2 0.929 113.2 46.8 -64.0 -44.1 39.4 71.1 16.2 113 149 A E H >4 S+ 0 0 38 -4,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.927 110.5 53.7 -59.6 -45.3 42.4 68.8 16.1 114 150 A Y H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.914 109.7 48.8 -54.9 -42.3 40.3 66.0 17.5 115 151 A F T 3< S+ 0 0 1 -4,-2.4 85,-3.0 -5,-0.2 2,-0.5 0.352 95.6 94.0 -83.0 7.9 37.8 66.6 14.7 116 152 A T B < S+C 199 0C 16 -3,-1.9 83,-0.2 83,-0.3 2,-0.1 -0.860 76.4 9.8-104.5 132.4 40.5 66.6 12.1 117 153 A G S S- 0 0 41 81,-0.6 -25,-2.4 -2,-0.5 -24,-0.3 -0.386 92.8 -35.7 102.7-175.1 41.4 63.5 10.2 118 154 A K B > -B 91 0B 74 -33,-0.5 3,-1.5 -27,-0.3 4,-0.4 -0.376 49.5-113.4 -83.1 155.9 40.1 60.0 9.7 119 155 A W G > S+ 0 0 2 -29,-2.9 3,-1.6 1,-0.2 4,-0.2 0.927 118.6 62.6 -46.7 -44.3 38.4 57.8 12.2 120 156 A A G > S+ 0 0 4 -33,-0.6 3,-1.4 -30,-0.4 4,-0.3 0.710 82.1 82.1 -62.0 -17.9 41.5 55.5 11.9 121 157 A K G < S+ 0 0 58 -3,-1.5 -1,-0.3 -36,-0.3 3,-0.3 0.840 101.0 33.6 -52.0 -38.4 43.7 58.4 13.2 122 158 A Y G X> S+ 0 0 10 -3,-1.6 4,-2.9 -4,-0.4 3,-2.3 0.210 78.1 120.6-109.4 16.1 42.8 57.5 16.8 123 159 A G T <4 S+ 0 0 2 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.781 82.9 40.5 -53.9 -33.7 42.4 53.8 16.6 124 160 A D T 34 S+ 0 0 40 -3,-0.3 -1,-0.3 -4,-0.3 326,-0.1 0.347 121.1 43.2-100.4 11.7 45.1 53.1 19.2 125 161 A E T <4 S+ 0 0 38 -3,-2.3 2,-1.1 1,-0.2 3,-0.2 0.682 102.0 61.9-117.2 -37.1 44.1 56.0 21.5 126 162 A I < + 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 325,-0.1 -0.783 65.9 128.2 -99.5 93.5 40.3 55.8 21.7 127 163 A V + 0 0 13 -2,-1.1 2,-0.3 323,-0.2 -1,-0.2 0.405 39.7 83.6-135.5 -5.7 40.0 52.4 23.2 128 164 A N S S- 0 0 5 -3,-0.2 -27,-0.4 323,-0.1 2,-0.2 -0.818 70.0-128.4-104.3 147.2 37.7 52.6 26.2 129 165 A T - 0 0 25 -2,-0.3 -30,-0.3 1,-0.2 -115,-0.2 -0.515 57.3 -42.7 -91.9 166.2 34.0 52.4 25.9 130 166 A I S S+ 0 0 29 -32,-0.9 2,-0.2 -64,-0.4 -1,-0.2 0.143 83.0 171.5 -27.6 117.8 31.4 54.8 27.4 131 167 A G >> - 0 0 4 -3,-0.1 3,-2.3 1,-0.0 4,-0.5 -0.718 49.7 -82.9-139.0 177.2 32.7 55.4 30.8 132 168 A C H >> S+ 0 0 20 1,-0.3 4,-2.0 -2,-0.2 3,-1.7 0.864 121.1 60.1 -50.4 -40.6 32.6 57.3 34.1 133 169 A Y H 34 S+ 0 0 6 -122,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.630 91.8 67.0 -70.8 -15.4 34.6 60.1 32.5 134 170 A N H <4 S+ 0 0 10 -3,-2.3 12,-0.5 1,-0.1 -1,-0.3 0.734 120.8 17.3 -70.2 -21.4 32.0 60.7 29.9 135 171 A C H << S+ 0 0 34 -3,-1.7 9,-2.4 -4,-0.5 2,-0.4 0.538 116.3 65.5-126.5 -14.2 29.6 61.9 32.5 136 172 A H B < S-E 143 0D 37 -4,-2.0 2,-0.3 7,-0.3 7,-0.2 -0.928 71.7-121.3-123.8 143.8 31.5 62.8 35.7 137 173 A D > - 0 0 33 5,-2.4 4,-1.9 -2,-0.4 -130,-0.1 -0.630 25.7-138.6 -72.3 133.2 34.1 65.3 36.8 138 174 A D T 4 S+ 0 0 18 -2,-0.3 -131,-0.3 1,-0.2 -1,-0.1 0.492 98.1 40.1 -80.2 -1.3 37.1 63.3 38.0 139 175 A K T 4 S+ 0 0 110 -132,-0.1 -137,-0.4 -133,-0.1 -135,-0.4 0.764 131.7 19.8-103.4 -47.5 37.7 65.6 41.0 140 176 A S T 4 S- 0 0 48 2,-0.1 -2,-0.2 -139,-0.1 3,-0.1 0.589 87.7-135.7-100.2 -13.7 34.2 66.3 42.3 141 177 A A < + 0 0 24 -4,-1.9 -3,-0.1 1,-0.2 3,-0.1 0.496 54.8 147.0 63.9 6.3 32.3 63.4 40.6 142 178 A E - 0 0 85 1,-0.1 -5,-2.4 -6,-0.1 -1,-0.2 -0.322 60.3 -90.7 -67.5 153.7 29.6 65.9 39.7 143 179 A L B +E 136 0D 30 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.3 -0.408 55.9 173.0 -59.8 136.6 27.7 65.4 36.5 144 180 A K - 0 0 65 -9,-2.4 2,-0.5 -2,-0.1 -3,-0.0 -0.994 36.6-127.9-144.7 145.5 29.4 67.1 33.6 145 181 A S - 0 0 25 -2,-0.3 -10,-0.1 1,-0.1 29,-0.1 -0.846 22.5-169.7 -84.8 131.7 29.0 67.4 29.8 146 182 A K + 0 0 24 -12,-0.5 -1,-0.1 -2,-0.5 -11,-0.1 0.400 60.5 78.3-106.1 -0.4 32.4 66.6 28.4 147 183 A V >> - 0 0 6 -13,-0.1 3,-1.1 1,-0.1 4,-0.6 -0.947 67.8-146.7-118.8 126.9 31.7 67.6 24.8 148 184 A P H 3> S+ 0 0 44 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.777 90.0 68.6 -64.1 -26.6 31.6 71.3 23.7 149 185 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 55,-0.3 0.738 90.0 63.6 -68.4 -22.2 29.0 70.9 21.0 150 186 A L H <> S+ 0 0 0 -3,-1.1 4,-3.1 2,-0.2 -1,-0.2 0.981 106.5 40.6 -67.1 -55.0 26.2 70.2 23.5 151 187 A D H X S+ 0 0 52 -4,-0.6 4,-3.1 1,-0.2 5,-0.3 0.894 113.6 56.7 -57.0 -39.4 26.3 73.6 25.2 152 188 A R H X S+ 0 0 116 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.917 112.0 41.8 -56.8 -45.9 26.8 75.1 21.8 153 189 A G H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 6,-0.2 0.917 113.2 52.2 -68.4 -44.5 23.5 73.5 20.7 154 190 A L H <>S+ 0 0 2 -4,-3.1 5,-2.8 1,-0.2 3,-0.3 0.939 112.6 45.0 -57.0 -49.0 21.7 74.3 23.9 155 191 A S H ><5S+ 0 0 67 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 0.898 110.3 54.9 -62.7 -41.9 22.7 78.0 23.6 156 192 A A H 3<5S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.832 110.2 46.7 -60.2 -32.5 21.8 78.1 19.9 157 193 A A T 3<5S- 0 0 27 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.395 120.5-109.3 -89.8 -1.2 18.3 76.7 20.8 158 194 A G T < 5S+ 0 0 69 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.592 75.1 134.6 82.2 11.4 17.9 79.2 23.6 159 195 A F < - 0 0 70 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.1 -0.481 64.6 -93.0 -82.8 162.0 18.2 76.6 26.4 160 196 A K - 0 0 88 -2,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.447 45.1-109.9 -66.3 145.7 20.3 77.0 29.5 161 197 A T > - 0 0 22 -2,-0.1 4,-0.8 -7,-0.1 3,-0.2 -0.227 36.9 -96.2 -66.0 168.3 23.9 75.6 29.2 162 198 A F T >4 S+ 0 0 11 1,-0.2 3,-1.3 2,-0.2 8,-0.1 0.940 126.7 48.2 -52.3 -52.6 24.7 72.5 31.2 163 199 A A T 34 S+ 0 0 80 1,-0.3 -1,-0.2 -18,-0.1 7,-0.0 0.798 112.1 50.1 -61.0 -31.5 26.2 74.5 34.0 164 200 A E T 34 S+ 0 0 126 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.2 0.556 96.5 96.4 -82.0 -10.9 23.2 76.8 34.1 165 201 A S S << S- 0 0 14 -3,-1.3 -4,-0.0 -4,-0.8 -3,-0.0 -0.384 80.6-102.0 -84.5 160.6 20.8 73.9 34.2 166 202 A T > - 0 0 70 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.261 35.2-107.9 -70.0 163.6 19.1 72.3 37.2 167 203 A H H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.925 122.9 52.0 -58.0 -43.4 20.4 69.0 38.6 168 204 A Q H 4 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 92,-0.2 0.888 108.8 50.3 -64.0 -37.4 17.3 67.3 37.2 169 205 A E H >> S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 3,-1.9 0.917 107.3 54.3 -64.0 -41.7 18.0 68.8 33.8 170 206 A K H 3X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.3 5,-0.2 0.824 95.1 68.6 -60.7 -31.3 21.6 67.6 34.0 171 207 A R H 3< S+ 0 0 12 -4,-1.6 89,-1.3 1,-0.2 -1,-0.3 0.509 112.7 31.1 -70.2 -5.9 20.2 64.1 34.6 172 208 A S H X> S+ 0 0 3 -3,-1.9 4,-1.5 87,-0.2 3,-0.8 0.621 112.9 61.4-110.1 -36.3 19.1 64.2 31.0 173 209 A L H 3X S+ 0 0 7 -4,-2.6 4,-0.6 1,-0.3 -2,-0.2 0.810 93.6 63.6 -62.9 -31.1 21.7 66.4 29.5 174 210 A V H >< S+ 0 0 15 -4,-2.3 3,-0.7 1,-0.2 -1,-0.3 0.909 108.4 44.2 -59.8 -34.5 24.5 64.0 30.4 175 211 A C H X> S+ 0 0 40 -3,-0.8 4,-2.8 -5,-0.2 3,-2.1 0.845 103.1 65.7 -72.5 -34.6 22.7 61.6 28.0 176 212 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.533 78.8 81.4 -70.1 -7.4 22.2 64.4 25.4 177 213 A Q T << S+ 0 0 3 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.1 0.832 120.2 5.0 -57.9 -29.9 25.9 64.6 24.9 178 214 A C T <4 S+ 0 0 32 -3,-2.1 2,-1.8 -4,-0.2 -2,-0.2 0.697 116.2 75.3-123.8 -38.1 25.4 61.6 22.6 179 215 A H S < S+ 0 0 72 -4,-2.8 65,-2.8 63,-0.1 2,-0.3 -0.389 82.0 92.3 -89.3 59.6 21.7 60.8 22.3 180 216 A V S S- 0 0 2 -2,-1.8 2,-0.3 63,-0.2 -3,-0.0 -0.932 81.1 -94.7-143.4 161.7 20.9 63.7 20.0 181 217 A E + 0 0 0 -2,-0.3 2,-0.3 58,-0.0 60,-0.1 -0.581 52.3 162.7 -79.2 142.5 20.7 64.4 16.3 182 218 A F - 0 0 34 -2,-0.3 2,-0.3 56,-0.2 22,-0.2 -0.946 25.2-156.9-149.9 166.3 23.8 65.9 14.8 183 219 A Y E -D 203 0C 8 20,-2.4 20,-2.5 -2,-0.3 2,-0.6 -0.904 30.4-106.7-138.8 175.0 25.7 66.6 11.6 184 220 A F E -D 202 0C 43 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.933 28.2-154.4-104.9 121.0 29.3 67.1 10.7 185 221 A K E -D 201 0C 98 16,-2.6 16,-2.5 -2,-0.6 2,-0.3 -0.857 19.1-127.3 -95.0 118.8 30.1 70.7 9.9 186 222 A K E -D 200 0C 137 -2,-0.6 2,-0.5 14,-0.2 14,-0.2 -0.521 35.0-170.0 -64.7 123.7 33.1 71.1 7.6 187 223 A T E -D 199 0C 29 12,-3.3 12,-3.4 -2,-0.3 2,-0.3 -0.954 15.5-151.4-132.8 113.8 35.3 73.5 9.5 188 224 A E E +D 198 0C 119 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.634 31.5 153.2 -82.3 137.0 38.4 75.2 8.1 189 225 A W E -D 197 0C 42 8,-2.5 8,-3.2 -2,-0.3 2,-0.4 -0.950 38.1-127.9-154.1 170.8 41.0 76.1 10.7 190 226 A K E -D 196 0C 137 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.999 27.2-140.1-128.9 132.1 44.7 76.7 11.2 191 227 A D > - 0 0 28 4,-2.1 3,-1.8 -2,-0.4 6,-0.0 0.017 38.0 -81.5 -82.8-171.6 46.7 74.9 14.0 192 228 A D T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.651 131.4 51.5 -64.6 -17.8 49.5 76.1 16.4 193 229 A K T 3 S- 0 0 184 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.211 119.5-109.9-103.0 11.0 52.0 75.5 13.6 194 230 A G < + 0 0 29 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.602 67.7 150.3 69.9 13.4 50.0 77.6 11.1 195 231 A V - 0 0 72 1,-0.1 -4,-2.1 -5,-0.0 2,-0.4 -0.639 48.7-124.1 -78.8 129.3 49.0 74.5 9.1 196 232 A D E + D 0 190C 133 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.622 40.8 173.3 -72.7 126.1 45.7 74.8 7.3 197 233 A K E - D 0 189C 53 -8,-3.2 -8,-2.5 -2,-0.4 2,-0.5 -0.903 28.7-134.5-133.4 162.0 43.5 71.9 8.3 198 234 A T E - D 0 188C 61 -2,-0.3 -81,-0.6 -10,-0.2 2,-0.3 -0.981 19.9-167.6-121.1 121.4 39.9 70.8 7.8 199 235 A A E -CD 116 187C 0 -12,-3.4 -12,-3.3 -2,-0.5 2,-0.6 -0.767 17.4-146.4-101.1 150.4 37.8 69.5 10.8 200 236 A M E - D 0 186C 63 -85,-3.0 2,-0.5 -2,-0.3 -14,-0.2 -0.939 31.4-160.6-114.3 103.2 34.5 67.7 10.5 201 237 A V E - D 0 185C 10 -16,-2.5 -16,-2.6 -2,-0.6 2,-0.2 -0.747 20.2-120.0-102.4 126.4 32.8 69.0 13.7 202 238 A V E + D 0 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5,-0.3 0.936 110.3 51.5 -67.3 -42.5 11.4 63.0 -0.7 351 387 A R H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 -114,-0.3 0.939 116.3 40.4 -56.9 -47.4 14.0 64.8 1.4 352 388 A H H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.897 112.7 55.0 -71.1 -39.8 11.4 66.1 3.8 353 389 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.936 114.7 39.8 -55.4 -50.8 9.5 62.9 3.9 354 390 A Q H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.852 111.6 55.9 -76.3 -33.0 12.5 60.9 4.9 355 391 A W H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.955 113.6 42.2 -58.4 -46.3 13.8 63.5 7.2 356 392 A R H X S+ 0 0 31 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.915 117.9 44.4 -69.3 -43.6 10.6 63.5 9.1 357 393 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.899 115.3 48.2 -69.1 -39.3 10.1 59.7 9.1 358 394 A D H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 3,-0.2 0.924 109.5 52.6 -66.0 -44.2 13.8 59.1 10.0 359 395 A M H < S+ 0 0 0 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.864 109.4 51.7 -58.5 -34.0 13.6 61.6 12.8 360 396 A A H < S+ 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.869 123.3 26.1 -67.3 -37.7 10.5 59.7 14.0 361 397 A I H < S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.589 99.0 81.6-105.9 -15.1 12.2 56.3 14.0 362 398 A A S < S+ 0 0 4 -4,-2.9 2,-0.8 -5,-0.2 -121,-0.6 0.757 84.3 67.9 -71.1 -26.4 15.9 57.0 14.5 363 399 A G S > S- 0 0 3 -4,-0.5 3,-1.5 -5,-0.2 4,-0.4 -0.877 78.3-156.1 -89.5 112.7 15.4 57.3 18.2 364 400 A H T 3 S+ 0 0 63 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.641 90.7 44.0 -70.5 -14.4 14.6 53.8 19.2 365 401 A G T >> S+ 0 0 20 1,-0.1 4,-2.9 2,-0.1 3,-2.1 0.465 85.4 94.6-100.8 -4.1 12.8 54.9 22.3 366 402 A S H <> S+ 0 0 0 -3,-1.5 4,-2.9 1,-0.3 8,-0.3 0.807 71.9 68.0 -62.6 -31.4 10.9 57.8 20.8 367 403 A F H 34 S+ 0 0 33 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.759 117.8 27.4 -56.8 -24.5 7.8 55.7 20.1 368 404 A F H <4 S+ 0 0 60 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.777 120.2 52.9-102.3 -42.3 7.5 55.7 23.9 369 405 A H H < S+ 0 0 38 -4,-2.9 -117,-0.4 1,-0.3 -116,-0.4 0.857 135.5 5.2 -64.8 -35.1 9.3 58.9 24.9 370 406 A A S X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.3 -0.481 75.1 166.3-148.1 66.1 7.1 61.0 22.6 371 407 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 76.0 47.3 -60.1 -44.0 4.5 58.7 21.1 372 408 A E H > S+ 0 0 158 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.889 112.7 48.5 -68.9 -37.3 2.2 61.4 19.6 373 409 A E H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.923 110.7 52.5 -66.5 -41.3 5.0 63.4 18.0 374 410 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -8,-0.3 5,-0.2 0.947 111.6 45.4 -59.3 -46.6 6.4 60.1 16.5 375 411 A L H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.916 113.7 49.6 -63.8 -43.1 3.0 59.3 15.0 376 412 A R H X S+ 0 0 102 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.908 111.5 49.5 -61.7 -40.9 2.6 62.8 13.7 377 413 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.898 111.2 47.9 -65.6 -42.8 6.0 62.8 12.2 378 414 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.875 113.9 48.0 -65.6 -36.3 5.5 59.5 10.4 379 415 A A H X S+ 0 0 53 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.905 114.1 46.8 -68.3 -40.2 2.1 60.8 9.1 380 416 A S H X S+ 0 0 25 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.928 113.3 48.3 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61.7 -7.1 391 427 A K H X S+ 0 0 70 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.875 108.9 57.9 -66.7 -35.2 3.9 64.0 -8.9 392 428 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.847 96.4 61.4 -64.8 -33.2 6.1 61.1 -10.0 393 429 A V H X S+ 0 0 66 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.922 106.3 47.9 -60.0 -39.1 3.2 59.4 -11.8 394 430 A K H X S+ 0 0 133 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.890 112.0 47.4 -69.6 -38.9 3.0 62.4 -14.0 395 431 A V H X S+ 0 0 18 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.945 113.5 48.7 -67.2 -45.9 6.7 62.5 -14.7 396 432 A L H <>S+ 0 0 6 -4,-3.2 5,-3.0 1,-0.2 3,-0.3 0.918 110.9 51.2 -58.3 -42.6 6.7 58.7 -15.4 397 433 A A H ><5S+ 0 0 42 -4,-2.6 3,-1.8 4,-0.3 5,-0.2 0.906 104.5 56.5 -61.4 -41.0 3.7 59.2 -17.7 398 434 A K H 3<5S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 110.8 45.4 -57.7 -34.7 5.5 62.0 -19.6 399 435 A Y T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.205 123.2-103.4 -99.5 15.7 8.3 59.5 -20.3 400 436 A G T < 5S+ 0 0 71 -3,-1.8 -3,-0.2 -5,-0.1 3,-0.1 0.687 95.1 103.0 79.8 23.3 5.9 56.7 -21.3 401 437 A A > < + 0 0 16 -5,-3.0 3,-2.0 -6,-0.2 -4,-0.3 -0.140 25.8 134.5-130.2 40.5 6.2 54.6 -18.1 402 438 A I T 3 S+ 0 0 91 -6,-0.3 -5,-0.2 1,-0.3 -1,-0.1 0.800 75.9 53.8 -63.3 -26.9 2.9 55.4 -16.3 403 439 A D T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 -7,-0.1 2,-0.1 0.262 78.7 136.1 -92.8 11.3 2.4 51.7 -15.5 404 440 A Y < - 0 0 61 -3,-2.0 2,-0.5 -11,-0.1 -3,-0.1 -0.361 41.5-155.5 -59.7 135.6 5.9 51.3 -13.9 405 441 A V - 0 0 118 -2,-0.1 3,-0.1 3,-0.0 -2,-0.1 -0.965 19.0-125.7-115.2 116.1 5.9 49.3 -10.8 406 442 A A - 0 0 9 -2,-0.5 -81,-0.1 1,-0.1 -80,-0.0 -0.337 38.3-100.0 -58.7 141.0 8.8 50.1 -8.4 407 443 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.152 39.0-101.8 -63.1 158.8 10.6 46.9 -7.5 408 444 A D - 0 0 108 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.491 29.8-176.0 -80.9 151.1 10.0 45.1 -4.3 409 445 A F + 0 0 13 -2,-0.2 -360,-0.2 1,-0.1 -361,-0.1 -0.242 34.8 133.4-141.7 48.3 12.5 45.5 -1.4 410 446 A E + 0 0 110 -365,-0.1 2,-0.3 -364,-0.1 -364,-0.1 0.506 64.9 50.1 -89.8 -5.8 11.0 43.2 1.2 411 447 A T S > S- 0 0 49 -366,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.949 83.3-122.0-126.2 155.1 14.3 41.5 2.1 412 448 A K H > S+ 0 0 6 -2,-0.3 4,-3.0 -370,-0.2 5,-0.2 0.903 113.8 53.0 -57.8 -41.1 17.6 43.0 3.0 413 449 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 111.2 44.1 -62.7 -46.0 19.2 41.1 0.1 414 450 A K H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 116.0 48.3 -66.1 -42.2 16.8 42.4 -2.5 415 451 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.902 109.6 51.6 -64.1 -41.7 17.0 46.0 -1.1 416 452 A Q H <>S+ 0 0 8 -4,-3.0 5,-2.9 -5,-0.2 4,-0.3 0.830 106.6 54.9 -67.2 -31.2 20.8 45.9 -1.0 417 453 A K H ><5S+ 0 0 166 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.2 0.934 109.0 47.3 -63.1 -45.5 20.8 44.8 -4.6 418 454 A L H 3<5S+ 0 0 46 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.847 114.1 47.5 -62.3 -33.3 18.7 47.8 -5.5 419 455 A A T 3<5S- 0 0 12 -4,-2.0 -366,-0.4 -5,-0.2 -1,-0.3 0.428 111.8-124.9 -87.0 -0.0 21.0 50.0 -3.5 420 456 A K T < 5 + 0 0 177 -3,-1.2 2,-0.7 -4,-0.3 -3,-0.2 0.891 52.0 159.8 56.0 46.2 24.1 48.4 -5.2 421 457 A V < - 0 0 20 -5,-2.9 2,-1.6 -364,-0.1 -1,-0.2 -0.891 32.0-159.6-101.7 113.8 25.6 47.4 -1.9 422 458 A D > + 0 0 95 -2,-0.7 4,-2.1 1,-0.2 3,-0.3 -0.651 21.0 170.8 -89.2 79.3 28.2 44.6 -2.3 423 459 A M H > S+ 0 0 36 -2,-1.6 4,-3.1 1,-0.2 5,-0.2 0.889 70.6 59.9 -66.9 -36.4 28.0 43.7 1.4 424 460 A E H > S+ 0 0 163 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 107.4 46.0 -54.5 -45.2 30.1 40.5 0.8 425 461 A A H > S+ 0 0 49 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.904 112.7 50.2 -65.4 -42.7 33.0 42.6 -0.4 426 462 A F H X S+ 0 0 64 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.915 111.4 48.7 -62.3 -42.3 32.6 45.0 2.5 427 463 A I H X S+ 0 0 33 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.925 109.9 50.9 -62.4 -46.5 32.5 42.2 5.0 428 464 A A H X S+ 0 0 59 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.934 113.4 45.3 -58.7 -45.3 35.6 40.6 3.5 429 465 A E H X S+ 0 0 93 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.893 112.3 52.3 -62.0 -43.3 37.5 43.9 3.7 430 466 A K H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.920 106.7 51.8 -62.7 -44.4 36.3 44.5 7.2 431 467 A L H X S+ 0 0 56 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.916 107.9 52.3 -61.5 -41.0 37.4 41.1 8.4 432 468 A K H X S+ 0 0 144 -4,-1.9 4,-1.1 -5,-0.2 5,-0.3 0.917 110.9 48.2 -59.8 -44.3 40.9 41.7 7.0 433 469 A F H ><>S+ 0 0 4 -4,-2.1 5,-2.5 1,-0.2 3,-0.6 0.930 112.6 48.0 -59.0 -46.1 41.0 45.1 8.9 434 470 A K H 3<5S+ 0 0 10 -4,-2.8 5,-0.5 1,-0.2 -1,-0.2 0.858 111.6 49.7 -64.9 -35.6 39.8 43.5 12.1 435 471 A Q H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.681 128.5 17.3 -79.0 -17.4 42.3 40.7 11.9 436 472 A T T 5S+ 0 0 28 -5,-0.3 4,-2.7 1,-0.3 -3,-0.2 0.869 119.7 54.1 -59.8 -42.9 45.0 46.8 12.0 438 474 A E H > S+ 0 0 64 -5,-0.5 4,-2.6 -6,-0.4 -1,-0.2 0.872 110.1 52.3 -70.4 -31.7 44.5 44.0 16.6 440 476 A E H X S+ 0 0 89 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.905 107.6 52.8 -65.7 -40.7 47.5 46.2 16.2 441 477 A W H X S+ 0 0 14 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.939 112.7 43.3 -57.1 -50.2 45.5 49.1 17.7 442 478 A K H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.918 113.7 51.0 -65.8 -41.7 44.5 47.1 20.7 443 479 A K H X S+ 0 0 124 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.922 113.5 45.1 -61.3 -43.6 48.0 45.7 21.2 444 480 A Q H X S+ 0 0 77 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.905 112.3 50.5 -67.4 -42.8 49.5 49.2 21.0 445 481 A A H X>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.2 6,-1.3 0.878 112.5 47.4 -62.5 -38.7 46.9 50.7 23.4 446 482 A I H ><5S+ 0 0 65 -4,-2.4 3,-0.9 4,-0.2 -2,-0.2 0.930 111.5 50.6 -66.3 -45.0 47.5 47.9 25.9 447 483 A A H 3<5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.910 112.1 47.1 -60.9 -40.7 51.2 48.3 25.6 448 484 A K H 3<5S- 0 0 93 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.605 115.5-115.7 -75.7 -11.9 50.9 52.1 26.2 449 485 A G T <<5S+ 0 0 44 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.682 85.7 115.2 81.3 20.7 48.5 51.5 29.2 450 486 A R S - 0 0 62 -2,-0.4 3,-2.1 1,-0.1 4,-0.3 -0.917 17.8-140.9 -99.5 121.7 43.0 47.2 30.0 453 489 A P G > S+ 0 0 72 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.732 97.3 74.8 -59.0 -18.9 42.4 43.9 28.4 454 490 A E G > S+ 0 0 74 1,-0.3 3,-1.4 2,-0.2 -3,-0.0 0.869 88.2 60.0 -57.8 -33.7 39.8 43.2 31.0 455 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