==== 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 OXIDOREDUCTASE 15-JAN-07 2E81 . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: WOLINELLA SUCCINOGENES; . AUTHOR O.EINSLE,P.M.H.KRONECK . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 68.6 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 . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 37.8 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 2 0 3 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 0 228 0, 0.0 2,-0.1 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 171.5 35.3 66.6 49.4 2 38 A T > - 0 0 31 137,-0.4 3,-0.7 1,-0.0 139,-0.0 -0.401 360.0-103.9-100.4-179.6 35.9 63.2 47.8 3 39 A A T 3 S+ 0 0 83 1,-0.2 3,-0.0 -2,-0.1 -1,-0.0 0.227 121.8 46.7 -89.9 14.3 38.8 60.8 48.5 4 40 A H T > + 0 0 8 135,-0.4 3,-2.5 4,-0.0 -1,-0.2 -0.169 66.2 149.1-146.3 40.7 40.4 61.9 45.2 5 41 A S T < S+ 0 0 35 -3,-0.7 3,-0.1 1,-0.3 134,-0.1 0.589 72.1 54.3 -55.8 -15.7 40.1 65.7 45.5 6 42 A Q T 3 S- 0 0 168 1,-0.4 -1,-0.3 132,-0.1 133,-0.1 0.335 120.4 -93.2-102.6 7.3 43.3 66.2 43.4 7 43 A G < - 0 0 22 -3,-2.5 2,-0.5 131,-0.3 -1,-0.4 -0.364 39.6 -80.4 107.4 170.6 42.1 64.2 40.5 8 44 A I > - 0 0 9 -2,-0.1 3,-1.7 -3,-0.1 2,-0.3 -0.965 33.4-129.6-120.5 120.7 42.5 60.6 39.3 9 45 A E T 3 S+ 0 0 183 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.534 99.5 12.0 -64.8 121.4 45.6 59.3 37.6 10 46 A G T > S+ 0 0 31 -2,-0.3 3,-2.8 1,-0.1 6,-0.3 0.751 80.5 167.0 79.2 25.2 44.5 57.4 34.5 11 47 A K T < + 0 0 53 -3,-1.7 122,-0.4 1,-0.3 -2,-0.1 0.674 64.2 70.0 -46.2 -25.2 41.0 58.9 34.8 12 48 A A T 3 S+ 0 0 5 -4,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.801 86.4 74.8 -67.5 -26.9 40.1 57.8 31.3 13 49 A M S X S- 0 0 30 -3,-2.8 3,-2.5 1,-0.2 4,-0.2 -0.786 74.4-154.3 -90.7 110.8 40.2 54.2 32.4 14 50 A S G >> S+ 0 0 2 -2,-0.8 3,-2.3 1,-0.3 4,-0.5 0.761 90.2 72.2 -54.5 -28.4 37.0 53.6 34.4 15 51 A E G >4 S+ 0 0 47 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.756 87.1 67.2 -60.5 -20.3 38.7 50.8 36.3 16 52 A E G <4 S+ 0 0 80 -3,-2.5 -1,-0.3 -6,-0.3 -2,-0.2 0.625 96.5 53.4 -73.5 -14.2 40.7 53.6 38.0 17 53 A W G X> S+ 0 0 7 -3,-2.3 4,-2.4 -4,-0.2 3,-1.1 0.561 85.3 87.0 -95.8 -11.5 37.5 54.8 39.7 18 54 A A T << S+ 0 0 27 -3,-0.7 -1,-0.1 -4,-0.5 -2,-0.1 0.812 78.9 60.6 -59.5 -35.4 36.7 51.4 41.2 19 55 A R T 34 S+ 0 0 199 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.785 116.1 34.3 -66.0 -23.7 38.7 51.9 44.4 20 56 A Y T <4 S+ 0 0 72 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.782 132.4 25.5 -98.2 -34.1 36.5 54.9 45.3 21 57 A Y X + 0 0 63 -4,-2.4 4,-2.3 1,-0.1 5,-0.2 -0.512 62.1 159.9-132.9 67.2 33.2 53.8 43.9 22 58 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.874 76.6 53.5 -56.2 -40.1 33.0 50.0 43.8 23 59 A R H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.966 112.6 41.0 -60.1 -56.3 29.1 49.9 43.7 24 60 A Q H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 114.2 54.3 -62.2 -35.0 28.7 52.3 40.7 25 61 A F H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 107.5 50.9 -65.1 -42.8 31.6 50.6 38.9 26 62 A D H X S+ 0 0 88 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.900 114.4 40.5 -63.3 -44.8 30.0 47.2 39.3 27 63 A S H < S+ 0 0 17 -4,-1.9 3,-0.4 2,-0.2 -1,-0.2 0.867 112.4 57.2 -73.2 -34.2 26.6 48.1 37.9 28 64 A W H >< S+ 0 0 39 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.903 105.2 51.6 -59.6 -42.6 28.3 50.3 35.2 29 65 A K H >< S+ 0 0 69 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.763 93.6 75.5 -67.2 -26.4 30.2 47.2 34.0 30 66 A K G >< + 0 0 82 -4,-0.8 3,-2.5 -3,-0.4 -1,-0.2 0.498 64.7 87.8 -68.2 -5.1 27.0 45.1 33.8 31 67 A T G X S+ 0 0 2 -3,-1.2 3,-1.2 1,-0.3 -1,-0.3 0.592 70.2 84.7 -68.7 -3.2 25.8 46.8 30.6 32 68 A K G < S+ 0 0 64 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.771 75.9 69.2 -63.6 -24.7 28.0 44.0 29.3 33 69 A E G < S+ 0 0 117 -3,-2.5 2,-1.5 1,-0.2 -1,-0.3 0.762 82.8 71.7 -66.2 -28.6 24.7 42.0 29.7 34 70 A S < + 0 0 37 -3,-1.2 31,-2.4 -4,-0.2 -1,-0.2 -0.679 58.6 136.2 -90.3 83.8 23.0 43.8 26.8 35 71 A D + 0 0 40 -2,-1.5 -1,-0.2 29,-0.2 2,-0.1 0.340 22.4 131.0-112.3 4.1 25.1 42.2 24.1 36 72 A N - 0 0 93 -3,-0.2 2,-0.6 1,-0.1 29,-0.1 -0.348 45.0-150.5 -64.7 133.1 22.3 41.4 21.5 37 73 A I - 0 0 34 426,-0.1 2,-0.6 -2,-0.1 426,-0.1 -0.928 12.1-173.1-107.3 112.8 23.0 42.5 18.0 38 74 A T - 0 0 38 -2,-0.6 24,-2.4 24,-0.3 2,-1.0 -0.938 18.8-142.3-109.0 112.8 19.8 43.3 16.1 39 75 A D B >> -A 61 0A 14 -2,-0.6 4,-2.1 22,-0.2 3,-0.6 -0.640 15.3-171.4 -75.9 101.1 20.5 44.0 12.4 40 76 A M H 3> S+ 0 0 26 20,-1.1 4,-2.8 -2,-1.0 7,-0.2 0.753 83.7 58.4 -67.6 -25.4 18.1 46.8 11.6 41 77 A L H 34 S+ 0 0 0 19,-0.9 -1,-0.2 2,-0.2 7,-0.2 0.817 109.8 44.9 -72.9 -28.5 18.8 46.6 7.9 42 78 A K H <4 S+ 0 0 119 -3,-0.6 -2,-0.2 2,-0.1 370,-0.2 0.874 117.3 44.4 -79.5 -39.3 17.6 43.0 8.0 43 79 A E H < S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.881 131.0 22.3 -71.8 -40.0 14.6 43.9 10.1 44 80 A K >< + 0 0 22 -4,-2.8 3,-2.3 -5,-0.2 4,-0.4 -0.648 66.4 173.6-129.8 73.9 13.7 47.0 8.0 45 81 A P T >> S+ 0 0 15 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.708 73.0 76.8 -55.9 -18.8 15.2 46.6 4.5 46 82 A A H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.841 84.9 65.6 -59.6 -30.9 13.3 49.7 3.4 47 83 A L H <> S+ 0 0 1 -3,-2.3 4,-2.1 -7,-0.2 -1,-0.3 0.832 92.9 59.6 -60.5 -34.1 16.1 51.6 5.4 48 84 A V H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.931 107.1 45.0 -61.5 -45.5 18.7 50.3 2.9 49 85 A V H >< S+ 0 0 0 -4,-1.0 3,-1.5 1,-0.2 -2,-0.2 0.919 111.5 53.7 -64.3 -42.2 16.9 52.0 -0.0 50 86 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.863 115.2 40.1 -60.2 -36.6 16.4 55.2 2.0 51 87 A W T >< S+ 0 0 0 -4,-2.1 3,-2.1 -5,-0.2 6,-0.5 0.126 79.9 148.7-102.5 21.5 20.1 55.3 2.7 52 88 A A T < S+ 0 0 1 -3,-1.5 178,-2.3 1,-0.3 179,-0.3 -0.318 72.1 23.2 -57.0 130.7 21.4 54.3 -0.7 53 89 A G T 3 S+ 0 0 54 366,-0.4 -1,-0.3 1,-0.3 175,-0.2 0.518 109.9 92.8 88.9 5.8 24.7 56.0 -1.3 54 90 A Y S X S- 0 0 38 -3,-2.1 3,-2.2 173,-0.1 -1,-0.3 -0.934 87.1-111.5-129.7 151.9 25.4 56.4 2.4 55 91 A P G >> S+ 0 0 37 0, 0.0 3,-2.4 0, 0.0 4,-1.2 0.809 110.7 69.7 -53.1 -32.8 27.3 54.2 4.9 56 92 A F G 34 S+ 0 0 19 1,-0.3 -5,-0.1 2,-0.2 -4,-0.1 0.656 87.1 66.6 -62.2 -14.2 24.1 53.3 6.8 57 93 A S G <4 S+ 0 0 4 -3,-2.2 -1,-0.3 -6,-0.5 3,-0.1 0.624 104.0 47.4 -80.3 -10.5 23.0 51.3 3.7 58 94 A K T <4 S- 0 0 28 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.879 127.9 -2.9 -92.8 -46.6 25.9 49.0 4.5 59 95 A D < + 0 0 1 -4,-1.2 -1,-0.3 17,-0.0 2,-0.2 -0.963 61.7 153.3-154.6 128.4 25.6 48.3 8.3 60 96 A Y + 0 0 24 -2,-0.3 -20,-1.1 -3,-0.1 -19,-0.9 -0.795 14.5 175.1-159.6 111.9 23.2 49.7 10.9 61 97 A N B -A 39 0A 34 -2,-0.2 -22,-0.2 -22,-0.2 3,-0.1 -0.756 37.4 -94.9-118.0 165.2 22.2 47.8 14.1 62 98 A A - 0 0 23 -24,-2.4 -24,-0.3 -2,-0.3 -1,-0.1 -0.334 54.3 -94.7 -70.5 159.6 20.1 48.6 17.1 63 99 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.413 45.0-177.6 -76.9 155.2 22.1 50.0 20.1 64 100 A R - 0 0 33 1,-0.3 -29,-0.2 -2,-0.1 5,-0.1 -0.666 42.7 -28.1-132.7-167.2 23.2 47.7 22.8 65 101 A G > - 0 0 5 -31,-2.4 3,-2.2 -34,-0.3 4,-0.3 -0.025 52.5-120.7 -49.4 147.2 25.1 48.1 26.1 66 102 A H G > S+ 0 0 49 213,-0.4 3,-1.3 1,-0.3 4,-0.4 0.760 109.1 76.5 -56.7 -27.1 27.5 51.0 26.7 67 103 A Y G 3 S+ 0 0 15 1,-0.3 -1,-0.3 -39,-0.1 4,-0.3 0.773 99.8 41.4 -55.5 -27.8 30.1 48.2 27.3 68 104 A Y G <> S+ 0 0 3 -3,-2.2 4,-3.0 -34,-0.2 5,-0.3 0.447 82.5 102.3-103.3 -1.2 30.2 47.7 23.5 69 105 A A H <> S+ 0 0 18 -3,-1.3 4,-1.9 -4,-0.3 5,-0.2 0.922 85.9 42.8 -48.3 -58.7 30.2 51.3 22.2 70 106 A L H > S+ 0 0 10 -4,-0.4 4,-1.6 28,-0.4 -1,-0.2 0.939 117.9 45.8 -56.6 -49.2 33.9 51.5 21.4 71 107 A Q H > S+ 0 0 4 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.843 111.2 51.8 -65.8 -33.8 34.0 48.0 19.8 72 108 A D H X S+ 0 0 42 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.836 105.7 55.9 -71.2 -29.7 30.8 48.5 17.8 73 109 A N H < S+ 0 0 14 -4,-1.9 6,-0.2 -5,-0.3 -1,-0.2 0.891 113.6 41.8 -65.4 -39.5 32.3 51.8 16.4 74 110 A I H < S+ 0 0 4 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.871 117.2 46.8 -74.7 -40.0 35.3 49.6 15.3 75 111 A N H < S+ 0 0 3 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.844 83.7 104.1 -74.2 -37.0 33.2 46.7 14.0 76 112 A T S >< S- 0 0 14 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 -0.144 72.8-133.5 -50.5 138.3 30.6 48.6 12.0 77 113 A L G > S+ 0 0 3 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.743 99.1 78.6 -65.6 -19.7 31.2 48.4 8.3 78 114 A R G 3 S+ 0 0 62 1,-0.3 -1,-0.2 -19,-0.1 -2,-0.1 0.848 90.2 51.0 -58.8 -34.8 30.5 52.1 8.2 79 115 A T G < S- 0 0 2 -3,-1.1 11,-0.4 -6,-0.2 -1,-0.3 0.547 97.7-165.0 -80.7 -5.8 34.0 52.9 9.5 80 116 A G < - 0 0 6 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.146 33.0 -51.3 62.3-148.7 35.5 50.6 6.8 81 117 A A - 0 0 13 352,-0.1 7,-0.2 -4,-0.0 -1,-0.2 -0.671 49.9-168.9-134.8 82.1 39.0 49.3 6.7 82 118 A P - 0 0 3 0, 0.0 355,-0.2 0, 0.0 3,-0.1 -0.240 12.0-158.9 -62.9 157.6 41.9 51.8 7.2 83 119 A V S S- 0 0 113 1,-0.2 2,-0.3 354,-0.1 5,-0.0 0.469 76.0 -8.5-112.5 -11.9 45.4 50.5 6.5 84 120 A D S > S- 0 0 64 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.897 93.4 -70.2-162.9-171.3 47.0 53.3 8.6 85 121 A G T 3 S+ 0 0 35 -2,-0.3 33,-0.5 1,-0.2 36,-0.2 0.484 125.8 51.3 -75.8 -0.5 46.2 56.5 10.4 86 122 A K T 3 S+ 0 0 173 34,-0.1 -1,-0.2 31,-0.1 2,-0.2 0.344 100.7 71.1-116.1 4.0 45.6 58.4 7.2 87 123 A T < + 0 0 47 -3,-1.1 33,-0.5 31,-0.1 3,-0.1 -0.660 54.6 79.5-117.3 173.7 43.1 56.0 5.5 88 124 A G S S- 0 0 21 -2,-0.2 -8,-0.1 -7,-0.2 -9,-0.1 -0.112 74.7 -94.1 108.9 151.5 39.5 54.9 5.9 89 125 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 0.809 95.5 63.9 -70.6 -34.2 36.2 56.5 4.9 90 126 A L S S- 0 0 36 -11,-0.4 29,-2.8 1,-0.1 30,-0.4 -0.609 74.3-119.8-102.3 158.4 35.3 58.3 8.2 91 127 A P B > -B 118 0B 23 0, 0.0 3,-1.7 0, 0.0 27,-0.3 -0.243 35.3 -96.2 -84.2 172.7 36.8 61.2 10.2 92 128 A S G > S+ 0 0 0 25,-2.1 3,-2.0 1,-0.3 4,-0.5 0.766 111.8 78.2 -59.7 -28.0 38.1 61.5 13.7 93 129 A A G > S+ 0 0 4 24,-0.3 3,-0.6 1,-0.3 4,-0.3 0.683 74.0 78.6 -58.8 -18.0 34.8 62.8 14.9 94 130 A C G < S+ 0 0 23 -3,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.650 89.2 55.3 -67.7 -13.4 33.3 59.3 14.9 95 131 A W G X> S+ 0 0 0 -3,-2.0 3,-2.6 1,-0.1 4,-0.7 0.772 81.5 96.6 -84.3 -30.6 35.1 58.5 18.2 96 132 A T T <4 S+ 0 0 3 -3,-0.6 3,-0.3 -4,-0.5 -1,-0.1 0.678 89.7 32.1 -28.3 -52.2 33.5 61.5 20.0 97 133 A C T 34 S+ 0 0 29 -4,-0.3 -1,-0.3 -3,-0.2 33,-0.1 -0.034 110.9 66.4-106.1 33.2 30.5 59.8 21.7 98 134 A K T <4 S+ 0 0 57 -3,-2.6 32,-0.9 1,-0.2 -28,-0.4 0.515 96.2 36.5-126.5 -10.1 32.1 56.4 22.2 99 135 A S >< - 0 0 0 -4,-0.7 3,-1.3 -3,-0.3 -1,-0.2 -0.995 56.1-136.9-154.3 149.2 34.9 56.9 24.8 100 136 A P T 3> S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 29,-0.1 0.617 104.4 74.3 -75.2 -10.4 36.2 58.7 27.9 101 137 A D H 3> S+ 0 0 1 27,-0.4 4,-2.2 1,-0.2 5,-0.2 0.661 82.0 71.6 -73.4 -16.6 39.4 59.0 25.9 102 138 A V H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.955 99.8 40.5 -66.6 -51.9 37.8 61.7 23.8 103 139 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.855 112.6 59.4 -66.9 -26.6 37.7 64.4 26.5 104 140 A R H X S+ 0 0 19 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.950 111.0 39.2 -62.0 -49.1 41.2 63.2 27.5 105 141 A I H >X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 3,-0.5 0.878 114.3 53.3 -69.5 -39.1 42.5 64.0 24.0 106 142 A I H 3X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.928 109.7 49.0 -61.0 -43.6 40.5 67.2 23.6 107 143 A E H 3< S+ 0 0 107 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.656 117.9 42.4 -69.4 -16.2 41.9 68.4 26.9 108 144 A Q H << S+ 0 0 115 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.830 131.5 16.0 -98.6 -42.0 45.4 67.6 25.7 109 145 A D H < S- 0 0 76 -4,-3.2 4,-0.4 1,-0.1 -3,-0.2 0.443 108.7-106.6-114.4 -2.8 45.5 68.7 22.1 110 146 A G X - 0 0 33 -4,-2.1 4,-1.9 -5,-0.5 5,-0.1 0.107 31.7 -82.5 91.8 152.3 42.5 71.0 21.8 111 147 A E H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.918 123.5 48.5 -57.2 -51.9 39.1 70.6 20.2 112 148 A L H 4 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 88,-0.1 0.907 111.4 49.5 -59.6 -44.3 40.0 71.5 16.6 113 149 A E H >4 S+ 0 0 45 -4,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.896 109.8 52.7 -62.6 -39.4 43.0 69.2 16.5 114 150 A Y H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.912 109.1 49.2 -61.4 -43.2 40.9 66.4 17.8 115 151 A F T 3< S+ 0 0 1 -4,-2.1 85,-2.9 -5,-0.1 2,-0.5 0.269 96.0 94.7 -81.2 12.2 38.3 67.0 15.1 116 152 A T B < S+C 199 0C 17 -3,-1.4 2,-0.2 83,-0.3 83,-0.2 -0.907 75.3 12.3-109.5 129.5 41.1 67.0 12.5 117 153 A G S S- 0 0 40 81,-0.5 -25,-2.1 -2,-0.5 -24,-0.3 -0.546 92.0 -37.0 110.4-174.7 42.0 63.9 10.6 118 154 A K B > -B 91 0B 76 -33,-0.5 3,-1.3 -27,-0.3 4,-0.4 -0.423 49.4-114.2 -86.7 162.7 40.7 60.4 9.9 119 155 A W G > S+ 0 0 2 -29,-2.8 3,-1.3 1,-0.3 -1,-0.1 0.908 118.6 61.3 -59.2 -40.7 38.9 58.1 12.3 120 156 A A G > S+ 0 0 3 -33,-0.5 3,-1.5 -30,-0.4 -1,-0.3 0.665 82.1 84.9 -61.4 -17.7 42.0 55.8 12.1 121 157 A K G < S+ 0 0 62 -3,-1.3 3,-0.3 1,-0.3 -1,-0.3 0.848 98.2 33.8 -54.3 -38.7 44.1 58.7 13.4 122 158 A Y G X> S+ 0 0 16 -3,-1.3 4,-2.7 -4,-0.4 3,-2.1 0.095 77.4 125.4-108.4 23.1 43.4 57.7 17.1 123 159 A G T <4 S+ 0 0 3 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.801 81.8 38.1 -51.2 -36.3 43.1 54.0 16.8 124 160 A D T 34 S+ 0 0 44 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.241 120.7 46.6-102.3 15.6 45.7 53.3 19.5 125 161 A E T <4 S+ 0 0 38 -3,-2.1 2,-1.3 1,-0.2 3,-0.2 0.687 100.8 58.7-118.9 -43.8 44.6 56.2 21.7 126 162 A I < + 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -4,-0.1 -0.746 66.4 128.6 -94.6 91.0 40.8 56.0 22.0 127 163 A V + 0 0 14 -2,-1.3 2,-0.3 323,-0.2 -1,-0.2 0.358 40.4 85.3-127.7 0.8 40.4 52.5 23.4 128 164 A N - 0 0 5 -3,-0.2 -27,-0.4 323,-0.1 2,-0.2 -0.836 69.0-131.9-105.4 147.2 38.2 52.7 26.4 129 165 A T - 0 0 24 -2,-0.3 -30,-0.2 1,-0.2 -115,-0.2 -0.539 56.6 -38.9 -96.7 165.9 34.4 52.6 26.1 130 166 A I S S+ 0 0 23 -32,-0.9 2,-0.2 -64,-0.3 -1,-0.2 0.208 83.8 169.4 -19.5 110.8 31.7 54.9 27.7 131 167 A G >> - 0 0 4 -3,-0.1 3,-2.5 1,-0.0 4,-0.6 -0.754 50.7 -84.1-134.2-179.9 33.1 55.6 31.1 132 168 A C H >> S+ 0 0 22 1,-0.3 4,-2.2 -2,-0.2 3,-1.6 0.858 120.4 59.2 -46.1 -46.5 33.0 57.5 34.4 133 169 A Y H 34 S+ 0 0 8 -122,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.621 93.3 67.0 -63.7 -14.7 35.1 60.3 32.9 134 170 A N H <4 S+ 0 0 12 -3,-2.5 12,-0.6 1,-0.1 -1,-0.3 0.775 121.3 15.6 -76.9 -24.2 32.5 60.9 30.3 135 171 A C H << S+ 0 0 36 -3,-1.6 9,-1.9 -4,-0.6 2,-0.4 0.507 117.8 67.3-125.5 -9.1 30.0 62.1 32.9 136 172 A H B < S-E 143 0D 40 -4,-2.2 2,-0.4 7,-0.2 7,-0.2 -0.916 71.0-125.0-124.0 146.6 31.9 62.8 36.0 137 173 A D > - 0 0 34 5,-2.1 4,-1.9 -2,-0.4 -130,-0.1 -0.679 24.8-138.3 -79.9 133.3 34.5 65.3 37.2 138 174 A D T 4 S+ 0 0 17 -2,-0.4 -131,-0.3 1,-0.2 -1,-0.1 0.442 98.0 42.5 -77.8 3.2 37.5 63.3 38.5 139 175 A K T 4 S+ 0 0 112 -133,-0.1 -137,-0.4 -132,-0.1 -135,-0.4 0.763 131.0 18.3-109.9 -47.6 38.0 65.7 41.5 140 176 A S T 4 S- 0 0 44 2,-0.1 -2,-0.2 -139,-0.1 3,-0.1 0.605 87.7-135.0-100.3 -16.9 34.5 66.3 42.7 141 177 A A < + 0 0 25 -4,-1.9 -3,-0.1 1,-0.2 3,-0.1 0.494 55.8 146.7 72.7 2.9 32.7 63.4 41.1 142 178 A E - 0 0 118 1,-0.1 -5,-2.1 -6,-0.1 -1,-0.2 -0.296 59.6 -90.5 -69.1 155.5 29.9 65.8 40.1 143 179 A L B +E 136 0D 32 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.383 56.4 170.6 -65.1 142.8 28.0 65.5 36.8 144 180 A K - 0 0 73 -9,-1.9 2,-0.6 26,-0.1 -1,-0.0 -0.992 37.8-125.2-155.7 149.7 29.7 67.3 34.0 145 181 A S - 0 0 25 -2,-0.3 -10,-0.1 1,-0.1 29,-0.1 -0.874 21.1-171.0 -95.4 125.6 29.5 67.7 30.2 146 182 A K + 0 0 23 -2,-0.6 -1,-0.1 -12,-0.6 -11,-0.1 0.394 62.7 77.0 -98.9 2.1 32.9 67.0 28.7 147 183 A V >> - 0 0 9 -13,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.955 65.4-152.0-120.1 120.7 32.1 68.1 25.2 148 184 A P H 3> S+ 0 0 48 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.731 88.4 72.1 -57.6 -27.5 31.9 71.8 24.2 149 185 A Y H 3> S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 55,-0.4 0.751 89.6 61.5 -65.5 -22.1 29.5 71.3 21.4 150 186 A L H <> S+ 0 0 0 -3,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.964 107.2 40.0 -69.2 -53.5 26.6 70.6 23.8 151 187 A D H X S+ 0 0 51 -4,-0.6 4,-3.1 1,-0.2 5,-0.3 0.906 113.4 57.7 -60.8 -39.3 26.6 74.0 25.6 152 188 A R H X S+ 0 0 125 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.896 112.3 40.5 -56.5 -42.5 27.2 75.6 22.2 153 189 A G H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.899 112.8 53.6 -74.4 -42.0 24.0 74.0 21.0 154 190 A L H <>S+ 0 0 2 -4,-3.0 5,-3.0 2,-0.2 3,-0.3 0.921 111.0 46.7 -58.1 -46.7 22.0 74.6 24.1 155 191 A S H ><5S+ 0 0 62 -4,-3.1 3,-2.7 1,-0.2 -1,-0.2 0.957 108.3 54.7 -60.3 -52.5 22.8 78.3 24.0 156 192 A A H 3<5S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 110.2 48.5 -53.3 -27.3 22.0 78.6 20.3 157 193 A A T 3<5S- 0 0 28 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.437 121.5-107.7 -93.9 -1.1 18.6 77.1 21.2 158 194 A G T < 5S+ 0 0 71 -3,-2.7 -3,-0.2 1,-0.3 2,-0.2 0.604 75.9 133.9 86.5 10.8 18.0 79.5 24.1 159 195 A F < - 0 0 73 -5,-3.0 -1,-0.3 -6,-0.2 2,-0.1 -0.502 63.2 -98.9 -88.8 161.7 18.5 76.8 26.7 160 196 A K - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.474 43.3-108.2 -76.4 152.2 20.7 77.3 29.8 161 197 A T > - 0 0 20 -2,-0.1 4,-1.1 1,-0.1 -1,-0.1 -0.212 36.1 -96.1 -72.6 173.1 24.2 75.8 29.6 162 198 A F T >4 S+ 0 0 9 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.915 126.3 47.3 -57.5 -47.1 25.1 72.7 31.7 163 199 A A T 34 S+ 0 0 83 1,-0.2 -1,-0.2 -18,-0.1 7,-0.1 0.837 112.8 50.7 -64.6 -32.3 26.6 74.7 34.5 164 200 A E T 34 S+ 0 0 120 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.2 0.618 95.5 95.8 -79.9 -15.0 23.5 77.0 34.6 165 201 A S S << S- 0 0 12 -4,-1.1 -4,-0.0 -3,-0.7 -3,-0.0 -0.310 79.5-105.9 -78.5 160.7 21.1 74.1 34.7 166 202 A T > - 0 0 78 1,-0.1 4,-1.8 -2,-0.1 -1,-0.1 -0.219 35.5-104.7 -74.6 172.7 19.4 72.5 37.7 167 203 A H H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.930 122.1 52.0 -66.3 -45.2 20.6 69.2 39.1 168 204 A Q H 4 S+ 0 0 70 1,-0.2 -1,-0.2 2,-0.2 92,-0.2 0.860 109.1 51.4 -59.1 -36.0 17.5 67.4 37.6 169 205 A E H >> S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 3,-1.5 0.885 106.0 54.6 -68.7 -37.7 18.3 68.9 34.3 170 206 A K H 3X S+ 0 0 41 -4,-1.8 4,-2.0 1,-0.3 5,-0.2 0.803 94.6 68.9 -64.8 -29.7 21.9 67.7 34.5 171 207 A R H 3< S+ 0 0 12 -4,-1.5 89,-1.0 1,-0.2 -1,-0.3 0.585 112.8 30.8 -66.4 -9.1 20.6 64.2 35.1 172 208 A S H X> S+ 0 0 4 -3,-1.5 4,-1.5 87,-0.2 3,-0.8 0.661 112.9 62.1-114.4 -35.6 19.4 64.3 31.4 173 209 A L H 3X S+ 0 0 9 -4,-2.3 4,-0.6 1,-0.3 -2,-0.2 0.803 92.2 63.8 -64.0 -31.9 22.1 66.6 29.9 174 210 A V H >< S+ 0 0 16 -4,-2.0 3,-0.6 1,-0.2 -1,-0.3 0.882 108.1 45.8 -60.4 -31.3 25.0 64.2 30.7 175 211 A C H X> S+ 0 0 41 -3,-0.8 4,-2.6 -5,-0.2 3,-2.2 0.869 100.8 66.6 -75.0 -38.8 23.2 61.9 28.3 176 212 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.547 78.9 81.8 -61.7 -8.8 22.6 64.7 25.7 177 213 A Q T << S+ 0 0 6 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.1 0.863 119.5 4.1 -63.7 -31.2 26.3 64.8 25.2 178 214 A C T <4 S+ 0 0 35 -3,-2.2 2,-2.1 -4,-0.2 -2,-0.2 0.707 115.2 77.1-121.9 -37.7 25.8 61.9 22.9 179 215 A H S < S+ 0 0 74 -4,-2.6 65,-2.7 63,-0.1 2,-0.3 -0.333 82.0 90.8 -80.7 59.3 22.1 61.0 22.6 180 216 A V S S- 0 0 4 -2,-2.1 2,-0.2 63,-0.2 63,-0.0 -0.930 80.8 -96.0-145.1 165.6 21.3 63.9 20.2 181 217 A E + 0 0 0 -2,-0.3 2,-0.3 61,-0.1 60,-0.1 -0.583 51.7 159.4 -82.7 147.7 21.1 64.6 16.5 182 218 A Y - 0 0 50 -2,-0.2 2,-0.3 22,-0.2 22,-0.2 -0.946 26.9-152.0-157.2 174.6 24.2 66.2 14.9 183 219 A Y E -D 203 0C 7 20,-1.7 20,-2.3 -2,-0.3 2,-0.6 -0.962 29.8-107.3-150.9 157.8 26.2 66.9 11.7 184 220 A F E -D 202 0C 37 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.830 28.8-153.5 -93.8 122.3 29.9 67.5 11.0 185 221 A K E -D 201 0C 110 16,-2.9 16,-2.3 -2,-0.6 2,-0.3 -0.852 17.9-127.3 -98.9 117.1 30.7 71.1 10.1 186 222 A K E -D 200 0C 140 -2,-0.7 2,-0.5 14,-0.2 14,-0.2 -0.472 35.0-171.1 -61.3 121.4 33.8 71.4 7.8 187 223 A T E -D 199 0C 39 12,-3.8 12,-3.2 -2,-0.3 2,-0.2 -0.946 14.8-151.1-129.3 114.9 35.9 73.9 9.8 188 224 A E E +D 198 0C 109 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.574 31.3 152.1 -80.0 139.8 39.1 75.6 8.4 189 225 A W E -D 197 0C 41 8,-2.6 8,-2.9 -2,-0.2 2,-0.4 -0.967 38.0-126.0-158.9 171.8 41.7 76.6 11.0 190 226 A K E -D 196 0C 138 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.997 24.6-135.1-130.1 130.0 45.4 77.2 11.6 191 227 A D > - 0 0 18 4,-2.0 3,-2.5 -2,-0.4 6,-0.0 -0.218 35.8 -95.3 -77.1 171.8 47.4 75.5 14.4 192 228 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.587 126.6 60.3 -63.2 -9.8 49.9 77.2 16.7 193 229 A K T 3 S- 0 0 178 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.293 117.7-113.5 -99.4 6.6 52.6 76.1 14.3 194 230 A G < + 0 0 38 -3,-2.5 -2,-0.1 1,-0.2 2,-0.0 0.215 68.8 140.1 83.8 -15.5 50.9 78.1 11.5 195 231 A V - 0 0 82 -5,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.334 52.7-122.1 -65.1 140.8 49.9 75.1 9.4 196 232 A D E + D 0 190C 134 -6,-0.2 2,-0.3 -2,-0.0 -6,-0.2 -0.681 38.4 171.6 -85.3 134.7 46.5 75.2 7.7 197 233 A K E - D 0 189C 58 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.5 -0.960 27.9-136.9-142.3 158.9 44.1 72.3 8.6 198 234 A T E - D 0 188C 64 -2,-0.3 -81,-0.5 -10,-0.2 2,-0.3 -0.976 21.4-167.7-120.0 126.4 40.5 71.3 8.0 199 235 A A E -CD 116 187C 1 -12,-3.2 -12,-3.8 -2,-0.5 2,-0.8 -0.853 20.0-141.4-114.9 149.1 38.5 69.9 10.9 200 236 A M E - D 0 186C 65 -85,-2.9 2,-0.4 -2,-0.3 -14,-0.2 -0.898 30.9-162.5-108.7 98.7 35.1 68.1 10.9 201 237 A V E - D 0 185C 10 -16,-2.3 -16,-2.9 -2,-0.8 2,-0.2 -0.716 21.0-119.1 -92.8 130.1 33.4 69.5 14.0 202 238 A V E - D 0 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3,-0.2 -0.430 15.9-114.4 -84.9 161.3 16.0 66.8 -16.0 340 376 A D H > S+ 0 0 114 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.825 119.0 57.5 -62.9 -29.9 17.0 68.1 -12.6 341 377 A A H 4 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.901 105.6 48.5 -66.9 -40.3 14.6 71.0 -13.2 342 378 A E H 4 S+ 0 0 56 1,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.703 118.8 41.2 -71.5 -20.3 11.7 68.6 -13.6 343 379 A L H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.1 5,-0.2 0.474 85.6 95.8-106.8 -4.5 12.8 66.7 -10.5 344 380 A K H X S+ 0 0 150 -4,-1.1 4,-2.1 -3,-0.4 5,-0.2 0.931 89.5 41.3 -54.0 -53.8 13.7 69.6 -8.2 345 381 A E H > S+ 0 0 128 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.921 114.9 52.5 -61.7 -43.7 10.3 69.8 -6.3 346 382 A I H > S+ 0 0 3 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.931 110.5 48.2 -56.4 -46.7 10.0 66.0 -6.2 347 383 A R H X S+ 0 0 20 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.864 108.1 53.5 -64.3 -37.1 13.5 65.8 -4.6 348 384 A T H X S+ 0 0 60 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.911 109.7 49.4 -64.4 -40.0 12.7 68.5 -2.1 349 385 A H H X S+ 0 0 26 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.915 111.9 47.8 -63.3 -44.4 9.7 66.6 -1.0 350 386 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.911 110.3 52.5 -63.6 -42.7 11.7 63.4 -0.7 351 387 A R H X S+ 0 0 16 -4,-2.6 4,-2.0 1,-0.2 -114,-0.3 0.946 114.9 41.1 -57.2 -51.3 14.4 65.2 1.3 352 388 A H H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.855 112.7 55.4 -67.7 -35.7 11.8 66.5 3.8 353 389 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.941 113.0 40.1 -63.2 -48.5 9.9 63.3 3.9 354 390 A Q H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.840 111.6 56.9 -72.0 -33.2 12.9 61.2 4.9 355 391 A W H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.940 112.4 42.1 -61.8 -45.1 14.2 63.8 7.3 356 392 A R H X S+ 0 0 34 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.911 118.2 43.8 -68.8 -43.5 10.9 63.8 9.2 357 393 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.874 115.1 49.0 -70.1 -38.0 10.5 60.0 9.2 358 394 A D H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.915 108.8 53.4 -67.9 -42.5 14.1 59.3 10.0 359 395 A M H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.828 108.3 52.8 -60.1 -31.4 13.9 61.8 12.9 360 396 A A H < S+ 0 0 1 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.871 122.7 25.1 -72.7 -37.8 10.9 59.9 14.2 361 397 A I H < S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.2 0.572 98.6 83.4-104.8 -12.2 12.6 56.5 14.2 362 398 A A S < S+ 0 0 4 -4,-3.0 2,-0.9 -5,-0.2 -121,-0.4 0.802 86.0 65.5 -63.3 -28.0 16.3 57.3 14.6 363 399 A G S > S- 0 0 3 -4,-0.4 3,-1.5 -5,-0.2 4,-0.4 -0.859 79.0-158.0 -95.2 105.3 15.7 57.5 18.3 364 400 A H T 3 S+ 0 0 65 -2,-0.9 3,-0.1 1,-0.3 -1,-0.1 0.660 90.0 44.5 -59.7 -18.4 14.8 54.0 19.2 365 401 A G T >> S+ 0 0 21 1,-0.1 4,-2.8 2,-0.1 3,-2.3 0.503 84.5 95.2-103.9 -4.8 13.0 55.1 22.4 366 402 A S H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.3 8,-0.3 0.832 71.5 69.2 -54.6 -35.8 11.2 58.0 20.9 367 403 A F H 34 S+ 0 0 34 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.752 116.7 27.2 -56.3 -21.6 8.1 55.9 20.3 368 404 A F H <4 S+ 0 0 62 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.778 118.8 54.4-105.5 -44.9 7.8 55.9 24.1 369 405 A H H < S+ 0 0 40 -4,-2.8 -117,-0.4 1,-0.3 -116,-0.4 0.894 136.1 3.1 -57.8 -43.2 9.6 59.2 25.1 370 406 A A S X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.3 -0.525 74.4 169.4-145.6 70.2 7.3 61.2 22.8 371 407 A P H > S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.843 77.0 49.2 -52.9 -41.9 4.7 58.9 21.2 372 408 A E H > S+ 0 0 166 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 110.3 48.5 -70.5 -40.7 2.5 61.6 19.7 373 409 A E H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 110.5 54.2 -65.9 -36.6 5.3 63.6 18.1 374 410 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 -8,-0.3 -2,-0.2 0.943 110.6 44.2 -61.6 -49.0 6.6 60.3 16.6 375 411 A L H X S+ 0 0 47 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.919 113.6 50.6 -63.4 -43.9 3.3 59.4 15.0 376 412 A R H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.902 110.7 50.2 -61.0 -40.8 2.8 63.0 13.7 377 413 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.910 110.3 48.0 -64.2 -44.2 6.3 63.0 12.2 378 414 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.877 113.5 49.3 -64.6 -35.7 5.8 59.6 10.4 379 415 A A H X S+ 0 0 52 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.917 113.1 46.0 -68.3 -43.9 2.4 60.9 9.1 380 416 A S H X S+ 0 0 26 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.904 113.0 49.9 -66.0 -42.3 4.0 64.2 7.9 381 417 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.920 110.0 50.5 -62.5 -43.7 6.9 62.3 6.3 382 418 A N H X S+ 0 0 32 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.918 108.3 53.0 -60.7 -43.0 4.5 60.0 4.5 383 419 A E H X S+ 0 0 101 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 109.2 48.4 -60.0 -43.1 2.5 62.9 3.2 384 420 A E H X S+ 0 0 22 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.901 111.5 51.0 -64.2 -38.5 5.6 64.5 1.8 385 421 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.916 110.9 47.4 -65.0 -43.3 6.6 61.2 0.2 386 422 A Q H X S+ 0 0 58 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.859 107.4 56.2 -67.2 -34.8 3.2 60.8 -1.4 387 423 A K H X S+ 0 0 87 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.897 109.7 47.3 -62.4 -38.8 3.2 64.3 -2.7 388 424 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.913 111.7 50.4 -67.2 -42.5 6.5 63.5 -4.4 389 425 A R H X S+ 0 0 51 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.851 106.0 54.4 -66.5 -35.1 5.0 60.3 -5.8 390 426 A I H X S+ 0 0 104 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.924 113.3 42.9 -64.0 -42.3 1.9 62.0 -7.2 391 427 A K H X S+ 0 0 72 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.828 109.1 60.1 -71.2 -31.4 4.2 64.4 -9.1 392 428 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.850 96.0 60.5 -64.7 -35.2 6.4 61.5 -10.1 393 429 A V H X S+ 0 0 67 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.910 106.6 47.3 -58.6 -42.4 3.6 59.7 -11.9 394 430 A K H X S+ 0 0 134 -4,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.888 111.7 48.5 -67.5 -41.2 3.3 62.7 -14.2 395 431 A V H X S+ 0 0 18 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.948 113.4 48.7 -63.8 -46.8 7.0 62.9 -14.9 396 432 A L H <>S+ 0 0 6 -4,-3.0 5,-3.1 1,-0.2 6,-0.3 0.921 110.6 50.9 -57.6 -45.0 7.0 59.2 -15.6 397 433 A A H ><5S+ 0 0 41 -4,-2.5 3,-2.4 4,-0.3 5,-0.2 0.920 104.6 56.9 -59.8 -44.9 4.0 59.5 -17.9 398 434 A K H 3<5S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.5 45.1 -54.5 -37.6 5.7 62.3 -19.8 399 435 A Y T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.173 125.1-103.2 -93.9 18.3 8.6 59.9 -20.5 400 436 A G T < 5S+ 0 0 70 -3,-2.4 -3,-0.2 -5,-0.1 3,-0.1 0.684 94.3 103.0 73.1 23.6 6.3 57.1 -21.4 401 437 A A > < + 0 0 16 -5,-3.1 3,-1.9 -6,-0.2 -4,-0.3 -0.148 25.2 135.3-129.3 42.5 6.5 55.0 -18.2 402 438 A I T 3 S+ 0 0 95 -6,-0.3 -5,-0.2 1,-0.3 -1,-0.1 0.785 76.6 52.6 -61.5 -26.8 3.2 55.7 -16.4 403 439 A D T 3 S+ 0 0 144 -3,-0.1 -1,-0.3 -7,-0.1 -2,-0.0 0.271 78.1 135.0 -93.2 12.3 2.8 52.0 -15.6 404 440 A Y < - 0 0 56 -3,-1.9 2,-0.5 -11,-0.1 -3,-0.0 -0.371 42.7-154.4 -60.8 136.6 6.3 51.6 -14.1 405 441 A V - 0 0 119 -2,-0.0 3,-0.1 3,-0.0 -2,-0.1 -0.970 18.4-123.9-117.9 115.2 6.2 49.6 -10.9 406 442 A A - 0 0 8 -2,-0.5 -81,-0.1 1,-0.1 -80,-0.1 -0.284 37.4-102.0 -56.8 138.4 9.1 50.3 -8.5 407 443 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.195 38.4-105.6 -61.6 154.8 11.0 47.1 -7.7 408 444 A D - 0 0 121 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.482 27.8-174.6 -82.2 154.6 10.4 45.4 -4.3 409 445 A F + 0 0 14 -2,-0.1 -360,-0.2 1,-0.1 -361,-0.1 -0.361 32.3 137.9-144.5 55.6 12.9 45.6 -1.5 410 446 A E + 0 0 104 -365,-0.1 2,-0.3 -364,-0.1 -364,-0.1 0.496 66.3 49.8 -83.7 -5.7 11.4 43.3 1.2 411 447 A T S > S- 0 0 43 -366,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.952 83.5-121.8-131.9 152.8 14.7 41.7 2.1 412 448 A K H > S+ 0 0 10 -2,-0.3 4,-2.8 -370,-0.2 5,-0.2 0.870 113.3 56.3 -58.3 -36.9 18.1 43.2 3.0 413 449 A E H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.953 111.2 39.7 -60.9 -53.2 19.5 41.2 0.1 414 450 A K H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 116.8 51.2 -65.2 -40.4 17.2 42.7 -2.6 415 451 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 110.0 48.7 -63.5 -45.3 17.4 46.2 -1.1 416 452 A Q H <>S+ 0 0 12 -4,-2.8 5,-3.0 -5,-0.2 -1,-0.2 0.770 107.3 56.2 -67.9 -23.9 21.2 46.2 -1.0 417 453 A K H ><5S+ 0 0 172 -4,-1.4 3,-1.1 3,-0.2 -1,-0.2 0.921 108.9 46.8 -71.7 -41.8 21.3 45.0 -4.6 418 454 A L H 3<5S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.857 113.5 48.0 -65.9 -34.7 19.2 48.0 -5.5 419 455 A A T 3<5S- 0 0 12 -4,-1.9 -366,-0.4 -5,-0.1 -1,-0.3 0.393 111.6-125.1 -86.3 3.6 21.5 50.3 -3.5 420 456 A K T < 5 + 0 0 187 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.904 50.4 162.0 52.9 49.3 24.5 48.7 -5.1 421 457 A V < - 0 0 18 -5,-3.0 2,-1.6 -364,-0.1 -1,-0.2 -0.892 31.4-153.6-103.1 113.7 26.1 47.7 -1.9 422 458 A D > + 0 0 93 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 -0.634 21.3 173.9 -87.6 81.5 28.7 45.0 -2.3 423 459 A M H > S+ 0 0 28 -2,-1.6 4,-3.2 1,-0.2 5,-0.3 0.906 71.5 55.3 -53.8 -54.3 28.5 43.4 1.2 424 460 A E H > S+ 0 0 166 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 110.3 48.1 -50.1 -44.4 30.9 40.5 0.6 425 461 A A H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 113.1 46.1 -64.0 -48.0 33.6 42.9 -0.5 426 462 A F H X S+ 0 0 66 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.910 114.3 48.2 -62.3 -42.9 33.2 45.3 2.4 427 463 A I H X S+ 0 0 38 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.909 111.2 49.9 -64.2 -42.9 33.1 42.4 5.0 428 464 A A H X S+ 0 0 60 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.917 113.6 46.2 -61.9 -43.3 36.2 40.8 3.5 429 465 A E H X S+ 0 0 94 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.869 112.1 52.4 -66.1 -38.2 38.0 44.1 3.6 430 466 A K H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.934 106.4 51.5 -65.0 -47.5 36.8 44.7 7.2 431 467 A L H X S+ 0 0 60 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.892 107.3 53.5 -58.2 -40.3 38.0 41.4 8.5 432 468 A K H X S+ 0 0 139 -4,-1.6 4,-1.0 1,-0.2 5,-0.3 0.898 109.8 48.6 -62.0 -39.5 41.4 42.0 7.1 433 469 A F H ><>S+ 0 0 5 -4,-1.6 5,-2.4 1,-0.2 3,-0.6 0.942 112.5 47.6 -63.8 -48.7 41.5 45.3 9.0 434 470 A K H 3<>S+ 0 0 10 -4,-2.6 5,-0.9 1,-0.2 -2,-0.2 0.868 111.8 50.1 -60.4 -39.4 40.4 43.7 12.2 435 471 A Q H 3<5S+ 0 0 136 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.681 129.0 16.8 -75.6 -17.6 42.9 40.9 11.9 436 472 A T T 5S+ 0 0 28 -5,-0.3 4,-2.1 1,-0.2 -3,-0.2 0.875 120.6 53.1 -53.0 -45.2 45.5 47.0 12.1 438 474 A E H >S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 6,-1.3 0.900 112.1 46.4 -62.1 -41.6 47.3 50.6 23.6 446 482 A I H ><5S+ 0 0 66 -4,-2.5 3,-0.6 4,-0.2 -1,-0.2 0.900 112.0 51.2 -67.8 -40.3 47.9 47.9 26.1 447 483 A A H 3<5S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.2 47.0 -65.2 -38.7 51.7 48.3 25.9 448 484 A K H 3<5S- 0 0 145 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.540 117.1-114.6 -80.8 -6.3 51.5 52.1 26.5 449 485 A G T <<5S+ 0 0 42 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.692 85.7 115.3 82.7 19.7 49.1 51.5 29.4 450 486 A R S - 0 0 59 -2,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.895 17.1-140.3-101.6 119.9 43.4 47.3 30.3 453 489 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.709 97.1 73.6 -50.4 -23.4 42.9 43.8 28.7 454 490 A E G > S+ 0 0 83 1,-0.3 3,-1.3 2,-0.2 -3,-0.0 0.850 88.3 59.9 -60.6 -35.5 40.2 43.2 31.3 455 491 A S G < S+ 0 0 32 -3,-2.2 -1,-0.3 1,-0.2 -326,-0.1 0.616 95.8 63.9 -69.4 -12.9 37.9 45.6 29.5 456 492 A L G X + 0 0 46 -3,-1.4 3,-1.6 -4,-0.3 4,-0.5 0.490 68.2 131.9 -91.5 -2.8 38.0 43.5 26.3 457 493 A K T < S- 0 0 107 -3,-1.3 -3,-0.0 1,-0.3 0, 0.0 -0.312 91.7 -21.4 -56.3 116.3 36.4 40.4 27.8 458 494 A G T > S+ 0 0 20 -2,-0.2 3,-0.8 1,-0.1 -1,-0.3 0.522 101.5 124.6 61.7 8.1 33.7 39.2 25.4 459 495 A V T < S+ 0 0 8 -3,-1.6 3,-0.2 1,-0.2 -2,-0.1 0.733 73.3 42.3 -70.7 -23.3 33.5 42.6 23.8 460 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