==== 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 08-SEP-00 1FS9 . COMPND 2 MOLECULE: CYTOCHROME C NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: WOLINELLA SUCCINOGENES; . AUTHOR O.EINSLE,P.STACH,A.MESSERSCHMIDT,J.SIMON,A.KROEGER,R.HUBER, . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22180.0 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 . 26 5.5 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 . 25 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 38.0 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 5 4 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 1 0 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, 0.0 139,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 169.2 34.9 66.3 49.4 2 38 A T > - 0 0 29 137,-0.5 3,-0.6 1,-0.1 138,-0.0 -0.281 360.0-106.9 -92.1-178.4 35.6 62.9 47.8 3 39 A A T 3 S+ 0 0 81 1,-0.2 137,-0.1 -2,-0.1 3,-0.1 0.287 120.6 47.8 -91.4 8.7 38.5 60.5 48.6 4 40 A H T > + 0 0 6 135,-0.4 3,-2.2 1,-0.1 -1,-0.2 -0.215 66.0 147.9-141.5 43.6 40.1 61.6 45.3 5 41 A S T < S+ 0 0 36 -3,-0.6 3,-0.1 1,-0.3 134,-0.1 0.592 71.3 55.0 -59.1 -15.3 39.9 65.4 45.6 6 42 A Q T 3 S- 0 0 162 1,-0.4 -1,-0.3 132,-0.1 2,-0.2 0.422 119.6 -95.7 -99.4 1.7 43.1 65.9 43.6 7 43 A G < - 0 0 21 -3,-2.2 2,-0.5 131,-0.3 -1,-0.4 -0.462 38.4 -81.0 110.8 174.4 42.0 63.9 40.6 8 44 A I > - 0 0 10 -2,-0.2 3,-1.7 -3,-0.1 2,-0.3 -0.970 32.3-130.1-125.0 120.3 42.4 60.3 39.5 9 45 A E T 3 S+ 0 0 182 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.504 100.5 13.3 -66.4 125.9 45.5 59.0 37.7 10 46 A G T > S+ 0 0 32 -2,-0.3 3,-2.3 1,-0.1 6,-0.3 0.774 80.9 165.3 77.1 27.2 44.4 57.2 34.6 11 47 A K T < + 0 0 50 -3,-1.7 122,-0.4 1,-0.3 -2,-0.1 0.690 64.0 69.1 -49.0 -27.2 40.9 58.6 34.9 12 48 A A T 3 S+ 0 0 5 -4,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.820 86.7 75.7 -65.3 -29.4 39.9 57.6 31.4 13 49 A M S X S- 0 0 30 -3,-2.3 3,-2.5 1,-0.2 4,-0.2 -0.752 74.3-154.3 -87.1 110.9 40.0 54.0 32.5 14 50 A S G >> S+ 0 0 2 -2,-0.8 3,-2.3 1,-0.3 4,-0.6 0.772 89.9 72.9 -55.3 -27.8 36.9 53.3 34.5 15 51 A E G >4 S+ 0 0 44 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.783 87.1 66.7 -58.6 -23.3 38.6 50.5 36.3 16 52 A E G <4 S+ 0 0 79 -3,-2.5 -1,-0.3 -6,-0.3 -2,-0.2 0.597 96.4 53.4 -72.2 -13.7 40.5 53.3 38.1 17 53 A W G X> S+ 0 0 8 -3,-2.3 4,-2.4 -4,-0.2 3,-1.2 0.567 85.0 87.4 -96.2 -12.7 37.3 54.5 39.8 18 54 A A T << S+ 0 0 25 -3,-0.8 -2,-0.1 -4,-0.6 -1,-0.1 0.835 79.0 60.7 -55.9 -39.5 36.5 51.1 41.3 19 55 A R T 34 S+ 0 0 198 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.760 115.4 34.9 -63.1 -23.9 38.6 51.6 44.4 20 56 A Y T <4 S+ 0 0 74 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.801 133.1 24.6 -97.6 -35.7 36.4 54.5 45.4 21 57 A Y X + 0 0 64 -4,-2.4 4,-2.3 1,-0.1 5,-0.2 -0.564 61.6 160.4-132.1 69.6 33.0 53.4 44.0 22 58 A P H > S+ 0 0 82 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.867 78.0 54.2 -57.9 -37.1 32.9 49.6 43.8 23 59 A R H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.967 111.8 40.7 -61.8 -56.7 29.1 49.6 43.7 24 60 A Q H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 115.6 52.7 -61.7 -36.7 28.7 51.9 40.8 25 61 A F H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.944 108.1 51.3 -63.6 -48.0 31.6 50.2 39.0 26 62 A D H X S+ 0 0 85 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.897 115.6 38.9 -56.8 -47.4 30.0 46.8 39.4 27 63 A S H < S+ 0 0 17 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.852 112.3 58.9 -74.3 -33.0 26.6 47.8 38.0 28 64 A W H >< S+ 0 0 38 -4,-2.2 3,-1.1 -5,-0.3 -2,-0.2 0.896 104.6 50.7 -59.5 -42.7 28.3 49.9 35.3 29 65 A K H >< S+ 0 0 82 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.750 92.2 78.3 -69.4 -22.6 30.1 46.9 34.0 30 66 A K G >< + 0 0 87 -4,-0.7 3,-1.9 -3,-0.4 -1,-0.2 0.476 64.2 87.9 -68.5 -1.0 26.9 44.8 33.8 31 67 A T G X S+ 0 0 3 -3,-1.1 3,-1.3 1,-0.3 -1,-0.3 0.623 70.4 82.7 -70.9 -6.5 25.8 46.5 30.6 32 68 A K G < S+ 0 0 68 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.781 77.5 68.7 -62.9 -25.6 27.9 43.7 29.2 33 69 A E G < S+ 0 0 115 -3,-1.9 2,-1.5 1,-0.2 -1,-0.3 0.757 83.2 71.7 -66.2 -27.3 24.8 41.6 29.7 34 70 A S < + 0 0 36 -3,-1.3 31,-2.5 -4,-0.2 -1,-0.2 -0.662 59.0 138.7 -91.0 81.2 22.9 43.5 26.9 35 71 A D + 0 0 32 -2,-1.5 -1,-0.2 29,-0.2 2,-0.1 0.312 21.2 130.3-108.6 6.7 24.9 41.9 24.1 36 72 A N - 0 0 93 -3,-0.2 2,-0.6 27,-0.1 29,-0.1 -0.373 43.9-153.1 -66.6 135.9 22.2 41.2 21.6 37 73 A I - 0 0 32 426,-0.1 2,-0.7 -2,-0.1 426,-0.1 -0.941 8.8-170.7-112.1 110.9 22.8 42.4 18.0 38 74 A T - 0 0 40 -2,-0.6 24,-2.5 24,-0.3 2,-1.1 -0.918 18.4-142.2-103.5 112.7 19.6 43.2 16.1 39 75 A D B >> -A 61 0A 15 -2,-0.7 4,-2.1 22,-0.2 3,-0.6 -0.644 15.0-169.3 -74.8 99.5 20.5 43.8 12.5 40 76 A M H 3> S+ 0 0 23 20,-1.1 4,-3.0 -2,-1.1 7,-0.2 0.749 83.8 58.1 -65.6 -24.5 18.1 46.7 11.6 41 77 A L H 34 S+ 0 0 0 19,-0.9 -1,-0.2 2,-0.2 7,-0.2 0.825 109.6 45.3 -73.5 -30.1 18.7 46.4 7.9 42 78 A K H <4 S+ 0 0 121 -3,-0.6 370,-0.2 2,-0.1 -2,-0.2 0.883 117.9 43.6 -77.3 -38.3 17.6 42.8 8.1 43 79 A E H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.893 131.6 22.3 -72.3 -42.3 14.6 43.8 10.2 44 80 A K >< + 0 0 21 -4,-3.0 3,-2.2 -5,-0.2 4,-0.4 -0.668 66.3 172.6-128.0 76.1 13.7 46.8 8.1 45 81 A P T >> S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.723 73.0 76.2 -57.9 -20.7 15.2 46.4 4.6 46 82 A A H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.831 85.6 65.3 -58.7 -29.7 13.4 49.5 3.5 47 83 A L H <> S+ 0 0 1 -3,-2.2 4,-2.2 -7,-0.2 -1,-0.3 0.817 92.5 60.2 -62.4 -32.2 16.1 51.4 5.4 48 84 A V H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.929 107.5 44.4 -61.6 -44.9 18.7 50.1 3.0 49 85 A V H >< S+ 0 0 0 -4,-1.0 3,-1.4 1,-0.2 -2,-0.2 0.915 111.4 53.8 -65.5 -42.2 16.9 51.8 0.1 50 86 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.872 115.5 40.3 -59.6 -37.8 16.4 55.0 2.1 51 87 A W T >< S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.2 6,-0.6 0.149 79.8 147.2-101.0 20.8 20.1 55.1 2.8 52 88 A A T < S+ 0 0 0 -3,-1.4 178,-2.3 1,-0.3 179,-0.3 -0.332 72.4 23.9 -58.0 130.2 21.4 54.1 -0.6 53 89 A G T 3 S+ 0 0 55 366,-0.4 -1,-0.3 1,-0.3 175,-0.2 0.465 110.2 92.2 91.2 3.0 24.7 55.9 -1.2 54 90 A Y S X S- 0 0 38 -3,-2.1 3,-2.3 173,-0.1 -1,-0.3 -0.932 87.3-111.7-128.8 151.5 25.4 56.3 2.5 55 91 A P G >> S+ 0 0 35 0, 0.0 3,-2.1 0, 0.0 4,-1.2 0.780 110.1 70.1 -52.3 -31.8 27.3 54.1 5.0 56 92 A F G 34 S+ 0 0 19 1,-0.3 -4,-0.1 2,-0.2 -5,-0.1 0.669 86.3 67.2 -63.6 -15.2 24.1 53.1 6.8 57 93 A S G <4 S+ 0 0 5 -3,-2.3 -1,-0.3 -6,-0.6 3,-0.1 0.642 103.1 47.9 -78.4 -12.2 23.0 51.1 3.8 58 94 A K T <4 S- 0 0 28 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.890 127.7 -1.9 -91.2 -47.4 26.0 48.8 4.6 59 95 A D < + 0 0 1 -4,-1.2 -1,-0.3 17,-0.0 2,-0.2 -0.975 61.1 154.6-152.7 130.0 25.6 48.2 8.3 60 96 A Y + 0 0 23 -2,-0.3 -20,-1.1 -3,-0.1 -19,-0.9 -0.783 13.9 176.4-160.2 110.5 23.1 49.5 11.0 61 97 A N B -A 39 0A 34 -2,-0.2 -22,-0.2 -22,-0.2 3,-0.1 -0.791 35.4 -99.8-116.6 159.0 22.2 47.6 14.2 62 98 A A - 0 0 19 -24,-2.5 -24,-0.3 -2,-0.3 2,-0.1 -0.293 53.8 -89.3 -69.7 160.8 20.0 48.5 17.1 63 99 A P + 0 0 94 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.424 47.3 179.0 -75.1 148.3 21.8 49.8 20.2 64 100 A R - 0 0 32 1,-0.3 -29,-0.2 -2,-0.1 -32,-0.1 -0.630 43.6 -29.4-129.2-167.7 23.1 47.4 22.9 65 101 A G > - 0 0 5 -31,-2.5 3,-2.1 -34,-0.3 4,-0.3 -0.014 51.1-121.0 -50.7 147.9 25.0 47.8 26.2 66 102 A H G > S+ 0 0 50 213,-0.4 3,-1.6 1,-0.3 4,-0.4 0.793 108.6 75.5 -56.0 -30.8 27.4 50.7 26.8 67 103 A Y G 3 S+ 0 0 14 1,-0.3 -1,-0.3 -39,-0.1 4,-0.3 0.748 100.9 42.0 -53.7 -25.5 30.0 48.0 27.4 68 104 A Y G <> S+ 0 0 0 -3,-2.1 4,-3.0 -34,-0.2 5,-0.3 0.418 82.3 102.1-105.1 -0.7 30.1 47.4 23.6 69 105 A A H <> S+ 0 0 19 -3,-1.6 4,-1.9 -4,-0.3 5,-0.2 0.926 86.1 42.5 -49.7 -56.8 30.0 51.0 22.3 70 106 A L H > S+ 0 0 10 -4,-0.4 4,-1.5 28,-0.3 -1,-0.2 0.941 117.2 46.5 -59.1 -49.3 33.7 51.3 21.5 71 107 A Q H > S+ 0 0 5 -4,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.879 111.2 51.1 -63.4 -38.7 33.9 47.8 19.9 72 108 A D H X S+ 0 0 42 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.861 105.4 56.8 -66.8 -32.8 30.8 48.3 17.8 73 109 A N H < S+ 0 0 14 -4,-1.9 -1,-0.2 -5,-0.3 6,-0.2 0.888 113.7 41.3 -62.0 -37.9 32.2 51.6 16.6 74 110 A I H < S+ 0 0 4 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.898 117.1 46.6 -76.0 -43.1 35.2 49.5 15.4 75 111 A N H < S+ 0 0 3 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.804 83.8 104.7 -72.6 -33.1 33.1 46.5 14.1 76 112 A T S >< S- 0 0 14 -4,-2.6 3,-1.2 -5,-0.2 4,-0.3 -0.186 73.3-132.6 -53.7 140.1 30.5 48.4 12.1 77 113 A L G > S+ 0 0 2 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.731 99.5 79.2 -65.6 -18.6 31.1 48.2 8.3 78 114 A R G 3 S+ 0 0 62 1,-0.3 -1,-0.2 -19,-0.1 12,-0.1 0.842 90.0 50.6 -59.4 -34.7 30.5 52.0 8.3 79 115 A T G < S- 0 0 2 -3,-1.2 11,-0.4 -6,-0.2 -1,-0.3 0.552 97.6-164.7 -81.6 -6.6 34.0 52.7 9.6 80 116 A G < - 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.099 33.7 -50.0 61.9-153.7 35.4 50.5 6.8 81 117 A A - 0 0 15 352,-0.1 7,-0.2 -4,-0.1 -1,-0.2 -0.700 51.7-169.7-127.9 82.3 39.0 49.1 6.7 82 118 A P - 0 0 3 0, 0.0 355,-0.2 0, 0.0 3,-0.1 -0.286 12.0-159.6 -64.0 155.5 41.7 51.7 7.3 83 119 A V S S- 0 0 108 1,-0.2 2,-0.2 354,-0.1 5,-0.0 0.540 74.6 -9.3-109.4 -17.2 45.3 50.5 6.5 84 120 A D S > S- 0 0 73 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.862 92.6 -70.0-158.6-169.2 46.9 53.3 8.7 85 121 A G T 3 S+ 0 0 34 -2,-0.2 33,-0.5 1,-0.2 36,-0.2 0.472 126.4 49.8 -76.8 -0.4 46.1 56.5 10.5 86 122 A K T 3 S+ 0 0 178 34,-0.1 -1,-0.2 31,-0.1 2,-0.2 0.335 101.9 69.4-118.0 4.2 45.4 58.4 7.3 87 123 A T < + 0 0 46 -3,-1.0 33,-0.5 31,-0.1 34,-0.1 -0.628 55.4 83.7-116.1 176.5 43.1 56.0 5.5 88 124 A G S S- 0 0 19 -7,-0.2 -8,-0.1 -2,-0.2 -9,-0.1 -0.098 74.5 -96.6 108.2 150.6 39.5 54.9 6.1 89 125 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 0.846 95.2 63.0 -71.7 -36.2 36.1 56.4 5.1 90 126 A L S S- 0 0 32 -11,-0.4 29,-2.7 1,-0.1 30,-0.4 -0.574 74.7-119.7-100.1 158.6 35.2 58.2 8.3 91 127 A P B > -B 118 0B 23 0, 0.0 3,-1.6 0, 0.0 27,-0.3 -0.234 35.9 -95.9 -83.7 172.9 36.7 61.1 10.3 92 128 A S G >> S+ 0 0 0 25,-2.1 3,-2.0 1,-0.3 4,-0.5 0.730 110.9 79.5 -62.3 -24.7 37.9 61.3 13.9 93 129 A A G 34 S+ 0 0 4 24,-0.3 3,-0.5 1,-0.3 4,-0.4 0.694 73.5 78.6 -60.2 -17.6 34.6 62.6 15.1 94 130 A C G <4 S+ 0 0 23 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.645 90.2 53.8 -68.0 -11.6 33.2 59.1 15.1 95 131 A W T X> S+ 0 0 0 -3,-2.0 3,-2.8 1,-0.1 4,-0.7 0.775 82.2 95.8 -86.7 -32.7 34.9 58.3 18.4 96 132 A T T 3< S+ 0 0 3 -4,-0.5 3,-0.3 -3,-0.5 -1,-0.1 0.692 91.1 32.0 -25.7 -54.6 33.4 61.3 20.2 97 133 A C T 34 S+ 0 0 29 -4,-0.4 -1,-0.3 1,-0.2 33,-0.1 -0.007 111.6 65.7-104.0 32.1 30.4 59.6 21.8 98 134 A K T <4 S+ 0 0 59 -3,-2.8 32,-0.8 1,-0.2 -28,-0.3 0.501 96.6 36.4-126.7 -9.1 32.1 56.2 22.3 99 135 A S >< - 0 0 0 -4,-0.7 3,-1.2 -3,-0.3 -1,-0.2 -0.997 55.8-137.6-154.4 148.8 34.9 56.7 24.9 100 136 A P T 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 29,-0.1 0.602 104.4 73.7 -76.9 -9.2 36.1 58.5 28.0 101 137 A D H 3> S+ 0 0 1 27,-0.4 4,-2.5 1,-0.2 5,-0.2 0.678 82.8 72.1 -73.7 -17.8 39.4 58.8 26.1 102 138 A V H <> S+ 0 0 0 -3,-1.2 4,-2.9 2,-0.2 5,-0.2 0.966 100.7 38.6 -63.4 -55.7 37.6 61.4 24.0 103 139 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.872 113.5 59.1 -64.9 -30.8 37.5 64.1 26.7 104 140 A R H X S+ 0 0 18 -4,-1.1 4,-0.9 1,-0.2 -2,-0.2 0.949 112.5 38.1 -59.0 -48.6 41.0 63.0 27.7 105 141 A I H X S+ 0 0 2 -4,-2.5 4,-3.3 2,-0.2 5,-0.5 0.880 115.3 52.3 -71.6 -39.5 42.3 63.8 24.3 106 142 A I H X S+ 0 0 16 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.912 110.4 49.5 -62.5 -40.5 40.2 66.9 23.8 107 143 A E H < S+ 0 0 101 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.755 118.1 41.4 -68.0 -25.3 41.5 68.2 27.1 108 144 A Q H < S+ 0 0 120 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.865 130.8 18.5 -91.0 -44.1 45.1 67.4 26.0 109 145 A D H < S- 0 0 76 -4,-3.3 4,-0.4 1,-0.2 -3,-0.2 0.484 109.1-107.9-109.1 -5.1 45.2 68.5 22.3 110 146 A G X - 0 0 32 -4,-1.8 4,-1.9 -5,-0.5 -1,-0.2 0.046 31.3 -82.1 93.9 153.8 42.2 70.8 22.1 111 147 A E H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.931 123.4 49.0 -58.7 -53.0 38.8 70.5 20.4 112 148 A L H 4 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 88,-0.2 0.913 111.0 49.5 -57.1 -46.9 39.9 71.4 16.8 113 149 A E H >4 S+ 0 0 42 -4,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.915 110.0 51.9 -59.3 -44.4 42.9 69.1 16.8 114 150 A Y H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.917 109.6 49.4 -58.0 -45.0 40.7 66.2 18.0 115 151 A F T 3< S+ 0 0 1 -4,-2.2 85,-3.0 -5,-0.2 2,-0.5 0.270 96.8 92.6 -79.9 12.0 38.1 66.8 15.3 116 152 A T B < S+C 199 0C 16 -3,-1.6 83,-0.2 83,-0.2 2,-0.2 -0.916 75.9 13.9-110.7 131.4 40.9 66.9 12.7 117 153 A G S S- 0 0 39 81,-0.6 -25,-2.1 -2,-0.5 -24,-0.3 -0.483 92.2 -36.2 108.5-178.2 41.9 63.8 10.8 118 154 A K B > -B 91 0B 74 -33,-0.5 3,-1.1 -27,-0.3 4,-0.4 -0.368 48.4-116.3 -82.1 161.3 40.7 60.3 10.1 119 155 A W G > S+ 0 0 1 -29,-2.7 3,-1.4 1,-0.3 -1,-0.1 0.930 118.3 60.2 -59.0 -43.9 38.9 58.0 12.5 120 156 A A G > S+ 0 0 3 -33,-0.5 3,-1.5 -30,-0.4 -1,-0.3 0.667 83.7 84.1 -59.3 -17.9 41.9 55.7 12.2 121 157 A K G < S+ 0 0 64 -3,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.873 98.0 34.8 -54.2 -42.3 44.0 58.5 13.6 122 158 A Y G X> S+ 0 0 15 -3,-1.4 4,-2.6 -4,-0.4 3,-2.0 0.133 78.7 125.5-103.1 20.9 43.2 57.7 17.2 123 159 A G T <4 S+ 0 0 3 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.787 81.4 35.5 -48.9 -37.9 43.0 53.9 16.8 124 160 A D T 34 S+ 0 0 43 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.255 120.8 48.3-104.0 14.7 45.5 53.1 19.6 125 161 A E T <4 S+ 0 0 42 -3,-2.0 2,-1.2 1,-0.2 3,-0.2 0.696 100.8 58.5-116.4 -42.0 44.5 56.0 21.9 126 162 A I < + 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 325,-0.1 -0.758 66.1 128.6 -95.4 92.5 40.7 55.8 22.1 127 163 A V + 0 0 14 -2,-1.2 2,-0.3 323,-0.2 -1,-0.2 0.400 39.8 86.9-128.4 -0.7 40.3 52.3 23.5 128 164 A N - 0 0 6 -3,-0.2 -27,-0.4 323,-0.1 2,-0.2 -0.805 68.3-131.8-102.5 147.1 38.0 52.6 26.5 129 165 A T - 0 0 23 -2,-0.3 -30,-0.2 1,-0.2 -115,-0.2 -0.516 57.1 -39.3 -95.5 166.7 34.3 52.4 26.2 130 166 A I S S+ 0 0 23 -32,-0.8 2,-0.2 -64,-0.3 -1,-0.2 0.171 84.0 170.5 -22.2 109.5 31.6 54.7 27.7 131 167 A G >> - 0 0 4 -3,-0.1 3,-2.7 1,-0.0 4,-0.6 -0.735 50.0 -84.6-131.9 179.1 33.0 55.3 31.2 132 168 A C H >> S+ 0 0 21 1,-0.3 4,-1.9 -2,-0.2 3,-1.5 0.851 120.4 59.2 -45.3 -46.1 32.9 57.2 34.5 133 169 A Y H 34 S+ 0 0 11 -122,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.605 92.9 67.4 -64.9 -12.9 34.9 60.0 33.1 134 170 A N H <4 S+ 0 0 12 -3,-2.7 12,-0.5 1,-0.1 -1,-0.3 0.761 120.4 16.6 -78.5 -22.8 32.3 60.6 30.4 135 171 A C H << S+ 0 0 36 -3,-1.5 9,-1.9 -4,-0.6 2,-0.3 0.481 118.2 65.9-126.0 -6.6 29.8 61.8 33.0 136 172 A H B < S-E 143 0D 42 -4,-1.9 2,-0.4 7,-0.2 7,-0.2 -0.920 71.3-124.1-126.3 148.9 31.7 62.6 36.1 137 173 A D > - 0 0 38 5,-2.0 4,-1.9 -2,-0.3 -130,-0.1 -0.714 25.8-137.6 -82.3 132.6 34.4 65.1 37.3 138 174 A D T 4 S+ 0 0 16 -2,-0.4 -131,-0.3 1,-0.2 -1,-0.1 0.427 98.0 42.5 -76.4 4.0 37.3 63.1 38.6 139 175 A K T 4 S+ 0 0 113 -133,-0.1 -137,-0.5 -132,-0.1 -135,-0.4 0.755 130.5 18.2-111.4 -46.4 37.8 65.4 41.6 140 176 A S T 4 S- 0 0 45 2,-0.1 -2,-0.2 -139,-0.1 3,-0.1 0.592 87.6-135.4-101.6 -15.9 34.3 66.0 42.9 141 177 A A < + 0 0 24 -4,-1.9 -3,-0.1 1,-0.2 3,-0.1 0.499 54.7 147.2 71.6 3.0 32.5 63.1 41.2 142 178 A E - 0 0 119 1,-0.1 -5,-2.0 -6,-0.1 -1,-0.2 -0.299 59.7 -90.9 -67.8 156.2 29.7 65.6 40.2 143 179 A L B +E 136 0D 35 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.390 56.7 171.7 -65.9 143.7 27.8 65.1 37.0 144 180 A K - 0 0 86 -9,-1.9 2,-0.6 26,-0.1 -1,-0.0 -0.992 37.1-126.1-156.4 148.7 29.4 67.0 34.1 145 181 A S - 0 0 24 -2,-0.3 -10,-0.1 1,-0.1 29,-0.1 -0.866 20.8-171.6 -94.9 126.7 29.2 67.5 30.4 146 182 A K + 0 0 28 -2,-0.6 -1,-0.1 -12,-0.5 -11,-0.1 0.462 61.9 78.8 -98.9 -2.0 32.6 66.8 28.9 147 183 A V >> - 0 0 9 -13,-0.1 3,-1.3 1,-0.1 4,-0.6 -0.930 64.1-153.6-114.5 121.5 31.8 67.9 25.3 148 184 A P H 3> S+ 0 0 48 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.760 88.6 71.0 -58.9 -30.0 31.7 71.6 24.4 149 185 A Y H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 55,-0.3 0.792 91.5 60.1 -62.7 -26.0 29.2 71.1 21.5 150 186 A L H <> S+ 0 0 0 -3,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.968 107.9 40.2 -67.0 -53.7 26.4 70.3 23.9 151 187 A D H X S+ 0 0 50 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.889 114.0 57.2 -60.8 -36.8 26.4 73.7 25.8 152 188 A R H X S+ 0 0 116 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.918 111.6 41.4 -58.7 -44.5 27.0 75.3 22.4 153 189 A G H X S+ 0 0 5 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.893 112.2 53.9 -71.5 -40.7 23.8 73.7 21.2 154 190 A L H <>S+ 0 0 2 -4,-3.0 5,-3.2 2,-0.2 4,-0.3 0.920 109.8 48.2 -59.8 -45.5 21.8 74.3 24.4 155 191 A S H ><5S+ 0 0 65 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.959 108.7 52.6 -59.8 -52.8 22.6 78.0 24.2 156 192 A A H 3<5S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.1 51.6 -53.8 -30.8 21.7 78.3 20.5 157 193 A A T 3<5S- 0 0 26 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.459 121.8-107.7 -87.2 -1.2 18.3 76.7 21.4 158 194 A G T < 5S+ 0 0 71 -3,-2.6 -3,-0.2 1,-0.3 2,-0.2 0.698 76.7 135.0 82.6 18.6 17.7 79.2 24.2 159 195 A F < - 0 0 76 -5,-3.2 -1,-0.3 -6,-0.2 2,-0.1 -0.592 62.3-100.6 -96.0 161.0 18.3 76.6 26.9 160 196 A K - 0 0 84 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.504 43.5-108.4 -76.9 150.8 20.4 77.0 30.0 161 197 A T > - 0 0 23 -2,-0.1 4,-0.9 1,-0.1 3,-0.2 -0.169 36.5 -95.1 -70.8 174.5 24.0 75.6 29.8 162 198 A F T >4 S+ 0 0 8 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.921 126.4 48.4 -58.7 -47.5 24.8 72.4 31.8 163 199 A A T 34 S+ 0 0 82 1,-0.2 -1,-0.2 -18,-0.1 7,-0.0 0.798 111.6 51.6 -64.5 -28.0 26.3 74.4 34.7 164 200 A E T 34 S+ 0 0 118 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.608 94.8 96.4 -83.5 -13.3 23.2 76.6 34.8 165 201 A S S << S- 0 0 12 -3,-0.9 2,-0.1 -4,-0.9 -4,-0.0 -0.298 79.7-103.9 -78.7 161.8 20.8 73.6 34.8 166 202 A T > - 0 0 78 1,-0.1 4,-2.0 -2,-0.0 5,-0.2 -0.330 34.9-106.8 -76.4 165.0 19.1 72.1 37.8 167 203 A H H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.920 121.4 51.9 -59.6 -45.1 20.4 68.8 39.2 168 204 A Q H 4 S+ 0 0 67 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.892 109.2 50.4 -59.4 -40.3 17.4 66.9 37.8 169 205 A E H >> S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 3,-1.7 0.872 105.4 56.6 -65.7 -36.8 18.0 68.4 34.4 170 206 A K H 3X S+ 0 0 43 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.810 94.3 67.9 -63.9 -29.0 21.7 67.3 34.7 171 207 A R H 3< S+ 0 0 13 -4,-1.4 89,-0.9 -3,-0.3 -1,-0.3 0.616 113.2 30.4 -66.4 -12.4 20.4 63.7 35.2 172 208 A S H X> S+ 0 0 4 -3,-1.7 4,-1.4 -4,-0.2 3,-0.8 0.682 113.4 61.9-111.5 -36.7 19.2 63.9 31.5 173 209 A L H 3X S+ 0 0 9 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.813 93.1 62.5 -62.8 -33.1 21.8 66.2 30.1 174 210 A V H >< S+ 0 0 15 -4,-2.0 3,-0.6 1,-0.2 -1,-0.3 0.863 107.9 46.9 -61.1 -29.9 24.8 64.0 30.8 175 211 A C H X> S+ 0 0 40 -3,-0.8 4,-2.6 -5,-0.2 3,-1.9 0.857 100.8 66.7 -75.3 -36.3 23.0 61.6 28.4 176 212 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.549 79.0 80.9 -63.6 -9.1 22.4 64.4 25.9 177 213 A Q T << S+ 0 0 6 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.1 0.865 119.4 4.8 -64.3 -32.3 26.2 64.6 25.3 178 214 A C T <4 S+ 0 0 34 -3,-1.9 2,-2.1 -4,-0.2 -2,-0.2 0.720 115.0 76.7-120.0 -37.7 25.7 61.6 23.0 179 215 A H S < S+ 0 0 78 -4,-2.6 65,-2.6 63,-0.1 2,-0.3 -0.348 81.5 92.1 -80.2 60.2 22.0 60.8 22.7 180 216 A V S S- 0 0 4 -2,-2.1 2,-0.2 63,-0.2 63,-0.1 -0.937 79.9 -97.5-145.6 164.0 21.2 63.6 20.3 181 217 A E + 0 0 0 -2,-0.3 2,-0.3 61,-0.1 60,-0.1 -0.554 51.5 159.0 -82.0 149.9 21.0 64.4 16.6 182 218 A Y - 0 0 49 -2,-0.2 2,-0.3 56,-0.2 22,-0.2 -0.963 27.5-150.2-160.0 174.0 24.0 66.0 15.0 183 219 A Y E -D 203 0C 7 20,-2.0 20,-2.6 -2,-0.3 2,-0.6 -0.950 29.9-106.5-148.2 161.8 26.0 66.8 11.8 184 220 A F E -D 202 0C 40 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.854 27.8-154.1 -97.1 120.7 29.7 67.4 11.0 185 221 A K E -D 201 0C 111 16,-3.1 16,-2.1 -2,-0.6 2,-0.2 -0.842 18.3-128.8 -97.2 114.1 30.5 71.0 10.3 186 222 A K E -D 200 0C 144 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.452 35.0-171.6 -59.5 123.8 33.6 71.3 8.0 187 223 A T E -D 199 0C 40 12,-4.0 12,-3.8 -2,-0.2 2,-0.2 -0.956 15.3-151.4-131.9 117.9 35.7 73.8 9.9 188 224 A E E +D 198 0C 115 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.577 30.9 148.9 -82.8 144.0 38.9 75.4 8.7 189 225 A W E -D 197 0C 44 8,-2.5 8,-3.0 -2,-0.2 2,-0.4 -0.966 38.0-122.3-162.4 175.0 41.5 76.5 11.3 190 226 A K E -D 196 0C 138 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.997 23.5-133.3-132.5 133.8 45.2 77.0 12.0 191 227 A D > - 0 0 17 4,-2.2 3,-3.1 -2,-0.4 -2,-0.0 -0.338 36.2 -97.1 -80.7 166.5 47.3 75.3 14.7 192 228 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.648 126.0 60.6 -56.9 -14.9 49.7 77.2 17.0 193 229 A K T 3 S- 0 0 175 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.367 119.5-110.5 -93.8 3.0 52.5 76.0 14.6 194 230 A G < + 0 0 38 -3,-3.1 -2,-0.1 1,-0.3 2,-0.1 0.243 69.5 142.5 89.3 -13.5 50.8 77.9 11.7 195 231 A V - 0 0 78 -5,-0.1 -4,-2.2 1,-0.1 2,-0.5 -0.372 50.0-127.5 -65.8 136.7 49.7 74.9 9.8 196 232 A D E + D 0 190C 131 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.741 36.4 173.9 -87.6 125.7 46.3 75.1 8.0 197 233 A K E - D 0 189C 53 -8,-3.0 -8,-2.5 -2,-0.5 2,-0.5 -0.893 28.0-134.7-132.0 161.5 44.0 72.2 8.9 198 234 A T E - D 0 188C 61 -2,-0.3 -81,-0.6 -10,-0.2 2,-0.3 -0.971 22.0-165.4-118.9 123.8 40.4 71.2 8.3 199 235 A A E -CD 116 187C 0 -12,-3.8 -12,-4.0 -2,-0.5 2,-0.7 -0.823 18.2-144.8-110.8 148.7 38.3 69.8 11.1 200 236 A M E - D 0 186C 65 -85,-3.0 2,-0.4 -2,-0.3 -14,-0.2 -0.896 30.3-162.8-111.0 96.4 35.0 68.0 11.0 201 237 A V E - D 0 185C 11 -16,-2.1 -16,-3.1 -2,-0.7 2,-0.3 -0.694 20.6-121.6 -91.3 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4,-1.3 0, 0.0 5,-0.1 -0.400 14.8-114.8 -84.6 161.5 16.0 66.6 -16.0 340 376 A D H > S+ 0 0 115 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.853 118.7 57.2 -62.8 -32.8 17.0 67.9 -12.6 341 377 A A H 4 S+ 0 0 85 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.895 106.7 47.7 -64.8 -39.7 14.7 70.9 -13.1 342 378 A E H 4 S+ 0 0 53 1,-0.2 4,-0.3 -3,-0.1 -1,-0.2 0.739 118.6 41.9 -71.9 -23.4 11.8 68.4 -13.6 343 379 A L H X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.1 5,-0.2 0.447 85.8 95.6-103.7 -1.9 12.8 66.5 -10.5 344 380 A K H X S+ 0 0 149 -4,-1.0 4,-1.8 -3,-0.4 5,-0.2 0.934 88.5 42.2 -56.2 -53.7 13.7 69.4 -8.1 345 381 A E H > S+ 0 0 127 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.916 114.9 51.9 -59.8 -45.0 10.3 69.7 -6.3 346 382 A I H > S+ 0 0 3 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.932 109.2 49.7 -56.7 -48.4 10.1 65.9 -6.1 347 383 A R H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.827 108.1 53.8 -62.6 -32.7 13.5 65.6 -4.5 348 384 A T H X S+ 0 0 62 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.904 108.8 49.3 -68.5 -40.1 12.7 68.3 -2.0 349 385 A H H X S+ 0 0 25 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.917 112.4 47.9 -63.4 -43.5 9.6 66.3 -0.9 350 386 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.925 109.6 52.6 -63.7 -45.2 11.7 63.2 -0.6 351 387 A R H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -114,-0.3 0.934 116.0 39.9 -55.4 -49.1 14.4 65.0 1.4 352 388 A H H X S+ 0 0 25 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.877 112.6 55.9 -70.4 -38.7 11.8 66.3 3.9 353 389 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.951 114.2 38.6 -59.2 -49.6 9.8 63.1 3.9 354 390 A Q H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.843 111.6 57.2 -73.0 -34.2 12.8 61.0 5.0 355 391 A W H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.942 112.7 42.3 -60.3 -45.3 14.2 63.6 7.3 356 392 A R H X S+ 0 0 34 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.921 117.8 44.6 -68.0 -44.5 10.9 63.6 9.3 357 393 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.874 114.3 49.4 -67.9 -38.0 10.5 59.8 9.2 358 394 A D H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.914 108.6 52.8 -68.3 -41.9 14.1 59.1 10.1 359 395 A M H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.3 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-116,-0.3 0.899 134.7 3.4 -58.9 -46.0 9.4 58.6 25.1 370 406 A A S X S+ 0 0 2 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.3 -0.504 72.8 165.3-142.9 67.9 7.2 60.8 22.8 371 407 A P H > S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.900 76.0 52.1 -53.3 -47.3 4.6 58.6 21.1 372 408 A E H > S+ 0 0 167 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 112.2 44.6 -61.2 -40.7 2.4 61.4 19.8 373 409 A E H > S+ 0 0 46 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 111.8 53.8 -71.9 -36.3 5.3 63.2 18.1 374 410 A V H X S+ 0 0 1 -4,-2.2 4,-2.2 -8,-0.3 -2,-0.2 0.946 111.4 44.9 -61.9 -47.4 6.6 60.0 16.6 375 411 A L H X S+ 0 0 45 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.921 114.1 48.7 -63.6 -43.9 3.2 59.2 15.1 376 412 A R H X S+ 0 0 101 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.902 111.9 49.3 -63.6 -41.3 2.7 62.7 13.8 377 413 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.884 110.4 49.4 -65.9 -40.5 6.2 62.8 12.2 378 414 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.880 113.7 47.6 -66.2 -35.5 5.8 59.5 10.5 379 415 A A H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.901 113.3 47.2 -70.5 -41.4 2.4 60.7 9.2 380 416 A S H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.931 113.0 49.3 -65.4 -45.8 3.9 64.0 8.0 381 417 A G H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.931 109.7 51.2 -59.1 -46.6 6.9 62.2 6.4 382 418 A N H X S+ 0 0 32 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.898 107.3 53.9 -58.4 -41.6 4.6 59.8 4.6 383 419 A E H X S+ 0 0 98 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 108.3 48.4 -61.4 -41.5 2.5 62.7 3.3 384 420 A E H X S+ 0 0 23 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.887 111.2 51.9 -66.1 -36.8 5.6 64.4 1.8 385 421 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 111.0 46.3 -64.7 -44.0 6.6 61.0 0.3 386 422 A Q H X S+ 0 0 58 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.854 107.7 56.2 -68.8 -33.0 3.2 60.6 -1.3 387 423 A K H X S+ 0 0 86 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.903 109.7 48.2 -63.4 -37.8 3.2 64.2 -2.6 388 424 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.922 110.7 50.1 -66.4 -44.0 6.4 63.3 -4.3 389 425 A R H X S+ 0 0 52 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.838 106.2 54.3 -66.6 -33.5 5.0 60.0 -5.8 390 426 A I H X S+ 0 0 104 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.920 113.4 43.5 -65.7 -40.3 1.9 61.8 -7.2 391 427 A K H X S+ 0 0 72 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.852 109.3 58.6 -71.6 -33.7 4.2 64.2 -9.0 392 428 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.871 97.3 60.3 -63.0 -37.4 6.5 61.3 -10.0 393 429 A V H X S+ 0 0 64 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.920 106.5 47.4 -56.6 -43.7 3.6 59.5 -11.8 394 430 A K H X S+ 0 0 145 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.880 112.3 48.0 -67.2 -38.2 3.3 62.6 -14.1 395 431 A V H X S+ 0 0 18 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.930 113.9 47.6 -67.5 -43.5 7.0 62.7 -14.8 396 432 A L H <>S+ 0 0 6 -4,-3.3 5,-2.9 1,-0.2 3,-0.4 0.926 110.8 52.0 -62.0 -43.7 7.1 59.0 -15.5 397 433 A A H ><5S+ 0 0 39 -4,-2.8 3,-2.4 4,-0.3 5,-0.2 0.926 103.7 57.1 -58.7 -45.5 4.0 59.4 -17.8 398 434 A K H 3<5S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.7 45.2 -54.1 -35.2 5.8 62.2 -19.7 399 435 A Y T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.155 123.9-103.1 -96.6 18.8 8.6 59.7 -20.4 400 436 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 -5,-0.1 3,-0.2 0.644 95.5 101.9 73.3 18.7 6.2 56.8 -21.3 401 437 A A > < + 0 0 16 -5,-2.9 3,-1.7 -6,-0.2 -4,-0.3 -0.196 26.9 135.4-126.5 44.2 6.5 54.8 -18.1 402 438 A I T 3 S+ 0 0 93 -6,-0.3 -5,-0.2 1,-0.3 -1,-0.1 0.774 76.5 51.8 -62.6 -25.8 3.3 55.6 -16.2 403 439 A D T 3 S+ 0 0 145 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.286 78.2 137.7 -94.9 10.9 2.8 51.9 -15.4 404 440 A Y < - 0 0 62 -3,-1.7 2,-0.5 -11,-0.1 -3,-0.0 -0.290 41.9-152.1 -56.8 137.7 6.3 51.5 -13.9 405 441 A V - 0 0 117 3,-0.0 3,-0.1 -76,-0.0 -1,-0.1 -0.963 17.5-125.5-117.9 113.0 6.3 49.4 -10.7 406 442 A A - 0 0 7 -2,-0.5 -81,-0.1 1,-0.1 -80,-0.1 -0.285 38.0-102.9 -54.7 135.1 9.2 50.2 -8.4 407 443 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.182 38.3-103.7 -60.8 154.5 11.0 46.9 -7.6 408 444 A D - 0 0 121 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.460 28.7-175.2 -79.5 153.7 10.4 45.3 -4.2 409 445 A F + 0 0 14 -2,-0.1 -360,-0.2 1,-0.1 -361,-0.1 -0.289 33.3 136.8-142.6 50.0 12.9 45.5 -1.4 410 446 A E + 0 0 102 -365,-0.1 2,-0.3 -364,-0.1 -364,-0.1 0.522 66.1 50.3 -79.0 -8.2 11.4 43.2 1.2 411 447 A T S > S- 0 0 42 -366,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.952 83.7-123.0-129.3 151.1 14.7 41.5 2.2 412 448 A K H > S+ 0 0 10 -2,-0.3 4,-3.0 -370,-0.2 5,-0.2 0.877 113.0 56.1 -57.0 -39.2 18.0 43.0 3.1 413 449 A E H > S+ 0 0 120 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.939 110.5 41.5 -59.8 -51.2 19.6 41.1 0.2 414 450 A K H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 115.9 51.0 -65.8 -38.9 17.3 42.5 -2.4 415 451 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.924 108.8 49.9 -64.6 -45.5 17.5 46.0 -1.0 416 452 A Q H <>S+ 0 0 12 -4,-3.0 5,-3.2 1,-0.2 -1,-0.2 0.787 107.0 56.4 -66.3 -24.6 21.3 46.0 -0.9 417 453 A K H ><5S+ 0 0 169 -4,-1.3 3,-1.4 3,-0.2 -1,-0.2 0.949 109.2 45.0 -69.9 -47.8 21.3 44.9 -4.5 418 454 A L H 3<5S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.851 114.2 49.7 -62.3 -35.2 19.2 47.9 -5.5 419 455 A A T 3<5S- 0 0 12 -4,-2.1 -366,-0.4 -5,-0.2 -1,-0.3 0.453 111.6-127.1 -82.8 -0.4 21.4 50.1 -3.4 420 456 A K T < 5 + 0 0 189 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.909 49.4 162.0 54.8 47.8 24.4 48.5 -5.1 421 457 A V < - 0 0 19 -5,-3.2 2,-1.7 -364,-0.1 -1,-0.2 -0.883 31.7-153.1-102.5 110.4 26.1 47.5 -1.8 422 458 A D > + 0 0 95 -2,-0.7 4,-2.0 1,-0.2 3,-0.2 -0.605 22.0 173.5 -83.6 81.5 28.8 44.9 -2.3 423 459 A M H > S+ 0 0 29 -2,-1.7 4,-3.2 1,-0.2 5,-0.3 0.900 70.7 57.1 -55.5 -51.3 28.6 43.3 1.2 424 460 A E H > S+ 0 0 165 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 110.4 46.3 -50.4 -44.0 30.9 40.4 0.6 425 461 A A H > S+ 0 0 43 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 113.1 47.4 -66.3 -47.4 33.6 42.8 -0.4 426 462 A F H X S+ 0 0 65 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.900 114.7 47.1 -62.5 -40.2 33.1 45.2 2.5 427 463 A I H X S+ 0 0 38 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.943 112.0 49.0 -66.5 -47.6 33.0 42.3 5.0 428 464 A A H X S+ 0 0 60 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.926 114.1 46.6 -56.8 -46.5 36.1 40.6 3.5 429 465 A E H X S+ 0 0 93 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.884 111.7 52.2 -63.3 -39.8 37.9 44.0 3.7 430 466 A K H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.911 106.4 52.3 -64.7 -44.2 36.7 44.6 7.2 431 467 A L H X S+ 0 0 62 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.904 107.0 52.9 -60.7 -40.7 37.9 41.2 8.5 432 468 A K H X S+ 0 0 139 -4,-1.8 4,-0.9 -5,-0.2 5,-0.3 0.904 109.6 49.8 -61.2 -39.9 41.4 41.9 7.1 433 469 A F H ><>S+ 0 0 4 -4,-1.7 5,-2.4 1,-0.2 3,-0.8 0.953 112.4 46.4 -61.6 -51.2 41.4 45.2 9.0 434 470 A K H 3<>S+ 0 0 10 -4,-2.6 5,-0.8 1,-0.2 -2,-0.2 0.846 111.4 51.9 -60.5 -37.3 40.3 43.6 12.3 435 471 A Q H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.656 128.3 15.2 -76.3 -15.3 42.9 40.8 11.9 436 472 A T T 5S+ 0 0 29 -5,-0.3 4,-2.1 1,-0.2 -3,-0.2 0.856 120.4 53.4 -55.2 -41.4 45.5 46.9 12.1 438 474 A E H >S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 6,-1.3 0.900 112.3 47.0 -61.8 -41.6 47.3 50.5 23.6 446 482 A I H ><5S+ 0 0 67 -4,-2.3 3,-0.6 4,-0.2 -1,-0.2 0.898 111.8 50.9 -66.9 -40.4 47.8 47.7 26.1 447 483 A A H 3<5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 111.1 48.3 -64.2 -39.8 51.6 48.1 25.9 448 484 A K H 3<5S- 0 0 96 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.581 115.9-115.3 -77.4 -10.9 51.3 51.9 26.5 449 485 A G T <<5S+ 0 0 41 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.649 86.4 113.8 85.7 15.8 49.0 51.3 29.5 450 486 A R S - 0 0 55 -2,-0.4 3,-1.9 1,-0.1 4,-0.3 -0.889 15.8-141.9-100.5 120.5 43.3 47.1 30.3 453 489 A P G > S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.745 96.0 72.9 -52.6 -26.5 42.8 43.6 28.7 454 490 A E G > S+ 0 0 96 1,-0.3 3,-1.4 2,-0.2 -3,-0.0 0.855 89.5 60.0 -57.2 -35.8 40.1 42.9 31.3 455 491 A S G < S+ 0 0 34 -3,-1.9 -1,-0.3 1,-0.3 -326,-0.0 0.651 95.1 64.0 -68.7 -15.0 37.8 45.3 29.5 456 492 A L G X> + 0 0 46 -3,-1.6 3,-2.1 -4,-0.3 4,-0.5 0.509 68.6 132.3 -88.4 -3.4 38.0 43.2 26.3 457 493 A K T <4 S- 0 0 104 -3,-1.4 -3,-0.0 1,-0.3 0, 0.0 -0.286 92.0 -20.9 -55.5 116.2 36.3 40.1 27.8 458 494 A G T >4 S+ 0 0 16 -2,-0.2 3,-0.7 1,-0.1 -1,-0.3 0.610 102.0 125.7 59.4 14.5 33.6 38.9 25.4 459 495 A V T <4 S+ 0 0 9 -3,-2.1 3,-0.2 1,-0.2 -2,-0.1 0.773 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