==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAY-10 2XDQ . COMPND 2 MOLECULE: LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE S . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR M.J.BROECKER,S.SCHOMBURG,D.W.HEINZ,D.JAHN,W.-D.SCHUBERT,J.MO . 865 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 69 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 4 1 1 1 3 4 4 6 1 1 0 3 2 2 0 0 0 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 6 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 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 6 A P 0 0 183 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.4 -9.8 100.2 86.0 2 7 A N - 0 0 145 3,-0.0 339,-0.2 0, 0.0 3,-0.1 -0.989 360.0-140.9-124.4 128.3 -7.7 101.8 83.1 3 8 A A - 0 0 82 -2,-0.4 338,-0.0 1,-0.2 0, 0.0 -0.006 26.1 -58.5 -91.3-175.4 -6.6 99.2 80.7 4 9 A L - 0 0 21 323,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.166 50.4-130.9 -56.7 150.9 -3.5 98.2 78.6 5 10 A N E -a 343 0A 79 337,-1.2 339,-3.0 -3,-0.1 2,-0.5 -0.940 17.8-159.2-113.4 131.2 -2.4 100.7 76.1 6 11 A F E +a 344 0A 64 -2,-0.5 2,-0.3 337,-0.2 339,-0.2 -0.902 12.9 175.0-111.3 129.8 -1.7 99.7 72.5 7 12 A E E -a 345 0A 112 337,-3.4 339,-2.5 -2,-0.5 2,-0.3 -0.783 15.8-151.7-126.4 175.8 0.5 101.6 70.1 8 13 A C E -a 346 0A 75 -2,-0.3 339,-0.2 337,-0.2 2,-0.1 -0.960 13.8-175.7-150.3 122.5 1.7 101.1 66.6 9 14 A E - 0 0 47 337,-2.7 337,-0.0 -2,-0.3 0, 0.0 -0.145 48.6 -65.7-107.0-152.3 4.9 102.4 65.0 10 15 A T - 0 0 66 2,-0.1 337,-0.1 1,-0.1 339,-0.1 0.494 57.1-120.2 -76.9 -6.3 6.5 102.3 61.5 11 16 A G + 0 0 12 336,-3.1 2,-1.2 335,-0.2 338,-0.2 0.631 68.8 139.3 69.7 9.3 7.1 98.6 61.3 12 17 A N + 0 0 24 335,-0.4 338,-1.9 474,-0.1 339,-0.5 -0.662 32.2 114.0 -86.7 83.3 10.9 99.4 60.9 13 18 A Y - 0 0 18 -2,-1.2 2,-0.3 336,-0.2 449,-0.2 -0.925 65.3 -98.0-148.0 164.5 12.5 96.7 63.1 14 19 A H + 0 0 10 -2,-0.3 2,-0.3 277,-0.1 354,-0.1 -0.672 50.3 137.2 -88.2 140.0 14.7 93.5 63.0 15 20 A T - 0 0 2 -2,-0.3 2,-0.2 278,-0.0 449,-0.2 -0.932 54.4 -86.7-168.9 161.4 13.3 90.0 63.0 16 21 A F - 0 0 18 276,-0.4 122,-2.6 -2,-0.3 447,-0.1 -0.590 48.2-105.9 -78.4 136.0 13.9 86.6 61.2 17 22 A C > - 0 0 18 445,-0.3 3,-1.9 -2,-0.2 120,-0.1 -0.365 31.5-117.6 -56.8 146.2 12.2 86.1 57.8 18 23 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.600 108.2 79.6 -66.7 -17.1 9.3 83.7 58.3 19 24 A I G > S+ 0 0 1 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.634 72.9 82.9 -65.6 -8.3 11.0 81.2 55.9 20 25 A S G X> + 0 0 6 -3,-1.9 3,-1.7 1,-0.3 4,-0.6 0.776 69.5 81.4 -64.4 -19.2 13.2 80.4 59.1 21 26 A C H <> S+ 0 0 0 -3,-1.7 4,-2.1 117,-0.3 -1,-0.3 0.643 76.2 70.4 -63.1 -15.9 10.3 78.1 60.1 22 27 A V H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 5,-0.4 0.900 90.2 62.4 -64.2 -39.6 11.7 75.5 57.7 23 28 A A H <> S+ 0 0 13 -3,-1.7 4,-0.7 -4,-0.3 -2,-0.2 0.874 116.3 25.5 -54.7 -49.2 14.6 75.0 60.2 24 29 A W H X S+ 0 0 66 -4,-0.6 4,-1.7 2,-0.1 -1,-0.2 0.773 120.7 56.3 -88.5 -26.5 12.5 73.8 63.1 25 30 A L H X S+ 0 0 0 -4,-2.1 4,-3.9 2,-0.2 -2,-0.2 0.862 106.6 48.1 -74.1 -35.6 9.6 72.4 61.1 26 31 A Y H < S+ 0 0 8 -4,-2.8 6,-0.3 2,-0.2 -1,-0.2 0.904 113.1 50.2 -69.0 -37.3 11.7 70.0 59.0 27 32 A Q H < S+ 0 0 104 -4,-0.7 -2,-0.2 -5,-0.4 -1,-0.2 0.885 117.6 41.4 -59.4 -40.2 13.3 69.0 62.2 28 33 A K H < S+ 0 0 26 -4,-1.7 2,-1.1 1,-0.2 -2,-0.2 0.956 110.5 53.3 -79.0 -52.8 9.7 68.5 63.6 29 34 A I S >< S- 0 0 1 -4,-3.9 3,-1.9 1,-0.1 170,-0.2 -0.739 77.1-164.4 -87.1 96.7 8.0 66.8 60.6 30 35 A E T 3 S+ 0 0 94 168,-2.9 169,-0.2 -2,-1.1 -1,-0.1 0.603 81.1 37.7 -60.7 -26.4 10.4 63.9 60.0 31 36 A D T 3 S+ 0 0 23 167,-0.2 63,-3.1 62,-0.1 64,-1.0 0.084 95.8 105.5-113.8 12.5 9.3 62.8 56.6 32 37 A S E < -f 95 0B 1 -3,-1.9 2,-0.3 -6,-0.3 64,-0.2 -0.402 54.2-152.2 -84.6 169.9 8.7 66.3 55.2 33 38 A F E -f 96 0B 8 62,-1.4 64,-3.2 -2,-0.1 2,-0.7 -0.934 7.1-149.3-140.9 125.6 10.8 68.2 52.7 34 39 A F E -fg 97 60B 0 25,-2.5 27,-2.2 -2,-0.3 2,-0.6 -0.826 12.4-174.3 -99.5 114.3 10.8 72.0 52.6 35 40 A L E -fg 98 61B 0 62,-3.4 64,-2.3 -2,-0.7 2,-0.7 -0.929 9.0-159.3-104.5 118.4 11.4 73.6 49.2 36 41 A V E -fg 99 62B 0 25,-2.7 27,-3.2 -2,-0.6 2,-0.9 -0.857 5.5-151.9-100.9 118.3 11.8 77.3 49.4 37 42 A I E + g 0 63B 0 62,-1.9 67,-0.4 -2,-0.7 64,-0.2 -0.770 53.9 94.0 -92.7 109.3 11.1 79.0 46.1 38 43 A G E - g 0 64B 0 25,-1.6 27,-2.1 -2,-0.9 2,-0.2 -0.723 67.1 -73.8-164.7-157.4 13.2 82.1 46.2 39 44 A T > - 0 0 2 -2,-0.2 4,-2.0 25,-0.2 3,-0.2 -0.585 50.7 -87.4-113.0-175.0 16.4 83.8 45.5 40 45 A K H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.754 123.9 65.6 -62.2 -28.3 20.0 83.9 46.7 41 46 A T H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.976 106.5 40.6 -57.9 -50.1 18.9 86.5 49.2 42 47 A C H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 114.2 53.3 -65.3 -38.0 16.7 83.9 50.8 43 48 A G H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.879 106.3 52.7 -66.8 -34.0 19.3 81.3 50.5 44 49 A Y H X S+ 0 0 30 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.870 108.0 51.4 -70.9 -36.5 21.8 83.4 52.2 45 50 A F H X S+ 0 0 13 -4,-1.7 4,-3.5 2,-0.2 5,-0.3 0.962 114.1 41.7 -62.8 -55.6 19.6 84.1 55.1 46 51 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.883 110.5 55.4 -64.7 -38.4 18.8 80.4 55.8 47 52 A Q H < S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 7,-0.2 0.902 119.9 34.4 -59.8 -39.6 22.3 79.2 55.3 48 53 A N H >< S+ 0 0 46 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.944 116.8 51.1 -84.9 -45.6 23.5 81.7 57.9 49 54 A A H 3< S+ 0 0 26 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.869 106.2 54.0 -61.0 -39.3 20.5 81.7 60.3 50 55 A M T >< S- 0 0 15 -4,-2.3 3,-1.9 -5,-0.3 4,-0.4 0.458 85.2-178.1 -81.5 12.6 20.3 77.9 60.7 51 56 A G G X + 0 0 35 -3,-1.7 3,-1.9 1,-0.3 -1,-0.2 -0.009 65.5 7.8 31.6-120.9 24.0 77.8 61.7 52 57 A V G > S+ 0 0 115 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.753 118.3 71.9 -63.8 -23.0 25.3 74.3 62.3 53 58 A M G X S+ 0 0 53 -3,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.741 82.6 72.4 -67.7 -19.3 22.1 72.6 61.1 54 59 A I G < S+ 0 0 3 -3,-1.9 3,-0.3 -4,-0.4 -1,-0.3 0.701 96.6 51.8 -69.2 -15.7 23.1 73.6 57.5 55 60 A F G < S+ 0 0 36 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.333 90.6 79.4 -99.9 10.0 25.8 70.9 57.8 56 61 A A S < S- 0 0 64 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 0.020 109.9-104.8-103.0 31.2 23.4 68.2 58.9 57 62 A E - 0 0 112 -3,-0.3 -2,-0.1 1,-0.1 -3,-0.1 0.970 50.8-152.5 44.5 64.0 22.0 67.4 55.3 58 63 A P - 0 0 1 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.197 21.5-119.1 -62.9 154.5 18.8 69.2 56.1 59 64 A R S S+ 0 0 45 -37,-0.1 -25,-2.5 -36,-0.1 2,-0.3 -0.491 87.3 90.6 -87.4 61.4 15.6 68.2 54.4 60 65 A Y E +g 34 0B 1 -2,-1.1 2,-0.3 -27,-0.2 -25,-0.2 -0.986 46.1 168.3-152.8 140.6 15.4 71.7 53.0 61 66 A A E -g 35 0B 6 -27,-2.2 -25,-2.7 -2,-0.3 2,-0.3 -0.979 32.3-116.2-151.3 157.6 16.6 73.4 49.7 62 67 A M E -gH 36 431B 4 369,-3.0 369,-1.9 -2,-0.3 2,-0.8 -0.747 13.4-146.0 -82.2 141.3 16.1 76.7 47.8 63 68 A A E -gH 37 430B 0 -27,-3.2 -25,-1.6 -2,-0.3 2,-0.5 -0.943 31.9-152.6 -97.3 93.9 14.5 76.4 44.4 64 69 A E E -gH 38 429B 21 365,-3.2 365,-2.6 -2,-0.8 2,-0.3 -0.656 4.2-136.9 -81.1 118.5 16.7 79.3 43.3 65 70 A L - 0 0 5 -27,-2.1 -25,-0.2 -2,-0.5 2,-0.1 -0.523 12.6-148.9 -82.7 134.5 15.1 81.3 40.4 66 71 A E >> - 0 0 83 -2,-0.3 3,-1.3 1,-0.1 4,-1.3 -0.455 35.3 -99.8 -90.4 169.5 17.0 82.5 37.4 67 72 A E H 3> S+ 0 0 88 1,-0.3 4,-1.7 2,-0.2 6,-0.2 0.811 126.0 61.2 -51.6 -35.6 16.5 85.7 35.3 68 73 A G H 34>S+ 0 0 15 1,-0.2 6,-2.3 2,-0.2 5,-1.4 0.775 101.9 50.9 -64.8 -27.3 14.7 83.2 32.9 69 74 A D H <45S+ 0 0 9 -3,-1.3 3,-0.4 4,-0.2 -1,-0.2 0.807 107.3 52.7 -76.2 -34.6 12.2 82.4 35.6 70 75 A I H <5S+ 0 0 43 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.5 39.8 -71.5 -38.6 11.5 86.1 36.3 71 76 A S T <5S- 0 0 71 -4,-1.7 -1,-0.2 0, 0.0 -2,-0.2 0.342 109.8-119.9 -90.7 4.7 10.7 86.8 32.7 72 77 A A T 5S+ 0 0 81 -3,-0.4 -3,-0.2 -5,-0.1 -4,-0.1 0.704 76.3 130.3 60.5 18.1 8.8 83.5 32.1 73 78 A Q S - 0 0 91 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.681 18.8-151.6 -77.2 113.5 8.2 77.5 32.2 76 81 A D H > S+ 0 0 50 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.867 93.7 50.2 -52.3 -43.2 7.5 77.6 36.1 77 82 A Y H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 112.3 47.2 -65.6 -40.9 5.5 74.4 36.1 78 83 A E H > S+ 0 0 103 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.835 111.2 52.1 -66.9 -35.2 8.1 72.5 34.2 79 84 A E H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.964 110.0 47.4 -65.7 -51.3 10.9 73.9 36.4 80 85 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.867 110.3 54.9 -58.1 -39.2 9.2 72.8 39.6 81 86 A K H X S+ 0 0 45 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.937 104.3 51.4 -58.6 -51.4 8.5 69.3 38.1 82 87 A R H X S+ 0 0 101 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.884 119.8 35.4 -58.5 -41.6 12.2 68.5 37.2 83 88 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.797 110.2 57.2 -92.0 -24.8 13.4 69.4 40.7 84 89 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.847 108.8 53.8 -66.5 -26.3 10.5 68.1 42.8 85 90 A L H X S+ 0 0 67 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.930 103.6 52.9 -71.6 -43.0 11.3 64.9 41.0 86 91 A E H X S+ 0 0 61 -4,-1.3 4,-2.3 1,-0.2 3,-0.3 0.970 109.3 51.4 -52.1 -52.6 15.0 65.1 42.1 87 92 A I H X>S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 5,-0.8 0.912 108.3 49.8 -49.6 -51.0 13.7 65.5 45.7 88 93 A K H X5S+ 0 0 88 -4,-2.0 4,-0.8 3,-0.2 -1,-0.2 0.884 111.7 50.7 -60.5 -36.2 11.5 62.4 45.4 89 94 A R H <5S+ 0 0 173 -4,-2.4 -2,-0.2 -3,-0.3 -1,-0.2 0.982 119.1 32.5 -63.0 -54.1 14.4 60.4 44.0 90 95 A D H <5S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.586 134.7 20.1 -88.2 -12.9 16.9 61.2 46.7 91 96 A R H <5S- 0 0 96 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.1 0.613 74.7-148.5-129.6 -21.9 14.8 61.6 49.8 92 97 A N << - 0 0 121 -5,-0.8 -4,-0.1 -4,-0.8 -3,-0.1 0.912 32.8-173.4 48.6 48.7 11.4 59.8 49.2 93 98 A P - 0 0 11 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.218 31.6-136.8 -66.4 158.0 9.6 62.4 51.4 94 99 A S S S+ 0 0 50 -63,-3.1 2,-0.3 1,-0.3 -62,-0.2 0.521 88.6 16.7 -96.5 -11.0 5.9 62.0 52.4 95 100 A V E -f 32 0B 0 -64,-1.0 -62,-1.4 29,-0.1 2,-0.5 -0.923 62.0-152.1-154.4 140.2 5.2 65.7 51.8 96 101 A I E -fi 33 126B 0 29,-2.5 31,-2.5 -2,-0.3 2,-0.5 -0.947 16.9-155.9-106.5 130.5 6.9 68.5 50.0 97 102 A V E -fi 34 127B 0 -64,-3.2 -62,-3.4 -2,-0.5 2,-0.6 -0.938 3.3-150.8-108.5 125.9 6.2 71.9 51.4 98 103 A W E -fi 35 128B 1 29,-3.5 31,-2.2 -2,-0.5 2,-0.7 -0.887 4.3-153.7 -94.9 127.8 6.5 74.9 49.1 99 104 A I E -fi 36 129B 0 -64,-2.3 -62,-1.9 -2,-0.6 31,-0.2 -0.914 12.6-144.4-100.4 109.1 7.5 78.1 50.8 100 105 A G E - i 0 130B 0 29,-2.9 31,-0.6 -2,-0.7 2,-0.2 -0.468 22.8-161.2 -69.0 149.9 6.2 81.0 48.7 101 106 A T > - 0 0 4 -64,-0.2 4,-2.2 -2,-0.1 31,-0.2 -0.758 34.8 -92.8-132.5 167.9 8.6 83.9 48.9 102 107 A C H > S+ 0 0 14 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 124.8 51.0 -49.7 -45.7 8.6 87.7 48.2 103 108 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 106.7 52.2 -63.0 -42.2 9.8 87.0 44.6 104 109 A T H 4>S+ 0 0 2 -67,-0.4 5,-1.5 1,-0.2 -1,-0.2 0.886 111.6 48.8 -65.5 -35.3 7.1 84.6 43.9 105 110 A E H ><5S+ 0 0 10 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.959 110.7 47.3 -62.4 -57.9 4.5 87.1 45.1 106 111 A I H 3<5S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 118.0 42.0 -55.4 -41.3 5.7 90.1 43.1 107 112 A I T 3<5S- 0 0 46 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.355 110.9-126.7 -87.9 6.7 5.9 87.9 39.9 108 113 A K T < 5 - 0 0 130 -3,-1.6 2,-0.6 -4,-0.2 -3,-0.2 0.953 33.9-175.8 49.8 76.0 2.6 86.2 40.7 109 114 A M < - 0 0 16 -5,-1.5 2,-2.7 -33,-0.0 3,-0.3 -0.912 25.7-133.7-105.3 117.8 3.5 82.5 40.6 110 115 A D >> + 0 0 112 -2,-0.6 4,-2.9 1,-0.2 3,-0.6 -0.337 44.8 154.0 -75.0 70.3 0.3 80.4 41.1 111 116 A L H 3> S+ 0 0 4 -2,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.938 73.3 54.7 -63.2 -41.6 1.8 78.0 43.6 112 117 A E H 34 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.787 115.6 41.0 -63.7 -24.6 -1.6 77.2 45.1 113 118 A G H <> S+ 0 0 47 -3,-0.6 4,-0.9 2,-0.1 -1,-0.2 0.855 114.7 48.2 -89.5 -37.2 -2.7 76.4 41.6 114 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3,-1.2 -5,-0.3 -1,-0.2 0.903 103.9 53.5 -64.6 -43.7 -13.5 75.1 82.3 256 289 A T H 3<5S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.915 115.4 42.2 -54.3 -42.6 -14.6 74.8 78.7 257 290 A F T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.413 118.7-111.0 -86.8 2.1 -15.3 71.1 79.4 258 291 A G T < 5 + 0 0 64 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.2 0.934 68.5 142.9 69.0 45.2 -16.9 71.7 82.8 259 292 A I < - 0 0 25 -5,-2.7 -1,-0.2 -8,-0.2 -2,-0.1 -0.966 51.9-131.8-119.0 136.2 -14.2 70.2 84.9 260 293 A Q - 0 0 158 -2,-0.4 2,-0.7 1,-0.0 -9,-0.0 -0.780 33.8-120.3 -77.4 118.0 -12.9 71.4 88.3 261 294 A P - 0 0 43 0, 0.0 3,-0.4 0, 0.0 2,-0.4 -0.539 32.6-148.1 -65.8 110.1 -9.1 71.4 88.0 262 295 A Q - 0 0 153 -2,-0.7 -3,-0.0 1,-0.2 -76,-0.0 -0.673 60.0 -10.0 -86.6 128.6 -8.0 69.0 90.7 263 296 A G S S+ 0 0 60 -2,-0.4 -1,-0.2 1,-0.1 4,-0.2 0.851 89.1 111.9 57.2 56.7 -4.7 69.5 92.6 264 297 A L > + 0 0 6 -3,-0.4 4,-2.0 2,-0.1 5,-0.1 0.509 54.5 77.2-134.2 -6.9 -2.7 72.2 90.8 265 298 A A H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.910 108.1 43.2 -60.4 -39.2 -2.6 75.2 93.2 266 299 A E H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 107.6 56.6 -71.7 -44.6 0.0 73.1 94.8 267 300 A R H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.847 111.0 46.7 -58.4 -32.4 1.7 72.0 91.6 268 301 A E H >X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 3,-0.6 0.969 110.2 49.1 -69.9 -57.3 2.2 75.7 90.8 269 302 A A H 3X S+ 0 0 47 -4,-2.2 4,-2.8 1,-0.3 5,-0.2 0.903 109.1 54.8 -50.3 -44.4 3.6 76.7 94.2 270 303 A E H 3X S+ 0 0 89 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.874 109.4 47.3 -56.0 -42.9 6.0 73.8 94.1 271 304 A T H << S+ 0 0 21 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.923 113.7 47.4 -65.2 -46.1 7.3 75.1 90.7 272 305 A W H >< S+ 0 0 44 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.847 108.6 55.0 -61.9 -38.5 7.6 78.7 92.0 273 306 A Q H >< S+ 0 0 134 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.916 100.9 58.2 -65.0 -39.9 9.4 77.5 95.1 274 307 A K T 3< S+ 0 0 148 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.453 103.0 57.4 -70.8 3.6 12.1 75.7 93.0 275 308 A L T <> + 0 0 5 -3,-1.3 4,-2.5 1,-0.1 -1,-0.3 0.185 66.8 117.4-118.0 11.3 12.8 79.1 91.4 276 309 A S H <> S+ 0 0 49 -3,-1.8 4,-2.0 1,-0.2 5,-0.1 0.892 76.5 50.1 -44.9 -49.9 13.7 81.0 94.6 277 310 A D H > S+ 0 0 128 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 112.6 44.3 -67.2 -38.5 17.2 81.6 93.5 278 311 A Y H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 111.9 55.0 -70.2 -33.5 16.3 83.0 90.0 279 312 A L H X S+ 0 0 37 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.845 101.0 57.7 -68.1 -34.7 13.5 85.1 91.6 280 313 A E H < S+ 0 0 126 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.968 112.9 41.1 -59.9 -47.4 15.9 86.8 94.0 281 314 A L H < S+ 0 0 25 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.7 47.6 -62.7 -45.1 17.9 88.0 90.9 282 315 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.1 2,-0.3 0.726 85.0 113.1 -72.2 -24.5 14.9 88.9 88.8 283 316 A R T 3< S- 0 0 159 -4,-1.9 25,-0.2 1,-0.2 24,-0.1 -0.326 88.7 -4.6 -61.6 116.3 13.1 90.9 91.6 284 317 A G T 3 S+ 0 0 39 23,-1.9 -1,-0.2 1,-0.3 24,-0.1 0.183 97.0 126.4 94.7 -15.9 12.8 94.6 91.0 285 318 A K < - 0 0 67 -3,-1.1 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0.691 106.1 60.1 -64.6 -25.4 4.5 87.8 88.2 306 339 A C T 3<5S- 0 0 5 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.475 127.8-100.9 -81.2 -9.0 8.3 87.1 88.7 307 340 A G T < 5S+ 0 0 29 -3,-1.0 -23,-1.9 1,-0.3 -3,-0.2 0.478 76.1 135.8 105.7 6.2 8.6 90.5 90.1 308 341 A M < - 0 0 2 -5,-2.6 2,-0.6 -25,-0.2 -1,-0.3 -0.472 53.6-125.0 -85.1 156.4 10.1 92.5 87.2 309 342 A R E -b 286 0A 142 -24,-2.4 -22,-2.6 -2,-0.1 2,-0.6 -0.906 22.1-153.9 -92.7 116.3 9.1 95.9 85.9 310 343 A V E -b 287 0A 7 -2,-0.6 -22,-0.2 -24,-0.2 3,-0.1 -0.830 12.9-177.1 -91.0 121.9 8.4 95.7 82.2 311 344 A L E + 0 0 66 -24,-3.0 2,-0.3 -2,-0.6 32,-0.3 0.702 67.0 4.4 -90.7 -26.5 9.0 99.1 80.5 312 345 A E E -b 288 0A 9 -25,-0.7 -23,-2.5 30,-0.1 2,-0.7 -0.908 52.9-153.1-158.4 133.6 7.9 98.3 76.9 313 346 A I E -bd 289 344A 0 30,-2.4 32,-3.0 -2,-0.3 2,-0.2 -0.876 21.4-168.9-110.5 99.1 6.3 95.3 75.2 314 347 A G E + d 0 345A 0 -25,-2.0 -22,-0.4 -2,-0.7 32,-0.2 -0.593 9.7 178.6 -81.3 139.0 7.4 95.5 71.5 315 348 A I E - d 0 346A 0 30,-3.1 32,-1.9 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-1,-0.3 0.936 114.5 51.3 -64.7 -47.3 -7.1 85.5 77.3 326 359 A E H <> S+ 0 0 0 -3,-2.4 4,-2.1 -89,-0.4 -1,-0.2 0.921 112.1 48.8 -53.5 -41.7 -3.3 85.9 77.5 327 360 A L H X S+ 0 0 16 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.870 110.2 51.7 -67.3 -32.5 -4.0 89.8 77.3 328 361 A A H X S+ 0 0 58 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.894 109.2 49.9 -70.6 -33.1 -6.6 89.4 80.1 329 362 A L H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.885 108.2 53.4 -74.5 -36.7 -4.1 87.6 82.2 330 363 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.981 110.3 45.3 -56.4 -59.9 -1.4 90.2 81.7 331 364 A S H X S+ 0 0 41 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.887 115.3 47.8 -54.4 -44.0 -3.6 93.1 82.8 332 365 A Q H X S+ 0 0 96 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.886 110.8 51.9 -62.4 -40.3 -4.9 91.2 85.8 333 366 A T H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.921 106.0 54.5 -63.5 -41.8 -1.3 90.3 86.6 334 367 A C H <>S+ 0 0 1 -4,-2.9 5,-3.1 1,-0.2 -2,-0.2 0.908 111.1 46.4 -58.7 -38.8 -0.4 94.0 86.4 335 368 A A H ><5S+ 0 0 76 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.905 110.6 50.7 -67.9 -43.8 -3.2 94.7 89.0 336 369 A E H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.740 117.7 39.2 -69.4 -25.0 -2.2 91.8 91.5 337 370 A M T 3<5S- 0 0 85 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.305 110.3-119.9-105.1 5.1 1.5 92.9 91.5 338 371 A G T < 5 + 0 0 68 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.958 61.0 150.7 49.7 58.7 0.6 96.6 91.6 339 372 A H < - 0 0 24 -5,-3.1 -1,-0.2 -6,-0.1 2,-0.2 -0.962 51.7-112.7-118.6 130.0 2.5 97.2 88.3 340 373 A P - 0 0 107 0, 0.0 -5,-0.0 0, 0.0 -6,-0.0 -0.472 44.9 -93.2 -71.3 139.2 1.4 100.0 86.0 341 374 A L - 0 0 62 -339,-0.2 -10,-0.1 -2,-0.2 -338,-0.0 -0.243 45.4-136.3 -54.4 124.2 -0.1 98.6 82.7 342 375 A P - 0 0 7 0, 0.0 -337,-1.2 0, 0.0 2,-0.4 -0.198 16.2-110.7 -79.4 169.1 2.7 98.6 80.2 343 376 A T E -a 5 0A 53 -32,-0.3 -30,-2.4 -339,-0.1 2,-0.6 -0.876 20.3-141.0-105.6 143.0 2.2 99.7 76.7 344 377 A I E -ad 6 313A 0 -339,-3.0 -337,-3.4 -2,-0.4 2,-0.8 -0.889 12.8-157.6-101.6 116.9 2.3 97.3 73.8 345 378 A V E -ad 7 314A 6 -32,-3.0 -30,-3.1 -2,-0.6 2,-0.2 -0.865 6.5-163.2-102.8 107.5 4.1 98.6 70.8 346 379 A E E S+ad 8 315A 33 -339,-2.5 -337,-2.7 -2,-0.8 -335,-0.2 -0.605 74.2 4.8 -78.4 146.5 3.0 96.9 67.5 347 380 A K S S- 0 0 109 -32,-1.9 -336,-3.1 -31,-0.5 -335,-0.4 0.908 95.7-159.1 46.5 58.1 5.2 97.2 64.5 348 381 A P - 0 0 0 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.053 20.4-120.7 -73.6 163.1 7.9 99.1 66.4 349 382 A D > - 0 0 2 1,-0.2 4,-3.5 -338,-0.2 5,-0.2 -0.883 17.6-162.1-106.0 102.6 10.6 101.4 65.3 350 383 A N H > S+ 0 0 12 -338,-1.9 4,-2.1 -2,-0.8 -1,-0.2 0.823 91.5 54.9 -52.6 -39.8 14.0 100.0 66.4 351 384 A Y H > S+ 0 0 58 -339,-0.5 4,-0.9 2,-0.2 3,-0.3 0.963 113.3 40.1 -57.1 -56.3 15.6 103.3 65.9 352 385 A N H >> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 3,-1.2 0.906 111.8 57.9 -57.2 -49.7 13.1 105.1 68.2 353 386 A Q H 3X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.3 -1,-0.2 0.857 101.8 55.0 -49.0 -41.3 13.2 102.2 70.6 354 387 A L H 3X S+ 0 0 27 -4,-2.1 4,-1.4 -3,-0.3 -1,-0.3 0.784 107.3 51.3 -64.8 -29.4 17.1 102.6 70.9 355 388 A Q H > - 0 0 1 -2,-0.3 4,-1.7 16,-0.2 3,-1.5 -0.244 45.1-106.6 -83.9 164.9 18.1 90.6 68.4 369 402 A M H 3> S+ 0 0 34 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.720 113.9 69.8 -64.2 -16.3 21.7 89.9 67.5 370 403 A A H 34 S+ 0 0 6 1,-0.2 110,-0.3 2,-0.1 -1,-0.3 0.881 113.8 24.9 -65.0 -37.9 21.7 93.1 65.4 371 404 A H H <> S+ 0 0 24 -3,-1.5 4,-2.4 2,-0.1 -2,-0.2 0.618 102.3 84.2-102.9 -18.4 21.5 95.3 68.5 372 405 A A H X S+ 0 0 10 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.939 94.3 39.4 -55.7 -61.2 22.9 93.1 71.4 373 406 A N H X S+ 0 0 48 -4,-0.6 4,-2.6 1,-0.2 5,-0.2 0.949 115.9 52.7 -61.4 -42.2 26.7 93.7 71.1 374 407 A P H 4 S+ 0 0 0 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.913 114.3 44.6 -58.5 -35.1 26.2 97.4 70.3 375 408 A L H ><>S+ 0 0 7 -4,-2.4 5,-2.1 2,-0.2 3,-1.4 0.940 110.7 50.9 -67.6 -54.8 24.0 97.7 73.5 376 409 A E H ><5S+ 0 0 33 -4,-2.9 3,-3.1 1,-0.3 48,-0.2 0.944 107.4 55.1 -47.3 -50.8 26.4 95.6 75.7 377 410 A A T 3<5S+ 0 0 8 -4,-2.6 47,-1.4 1,-0.3 48,-0.6 0.745 106.9 51.5 -59.1 -23.1 29.2 97.9 74.6 378 411 A R B < 5S-N 423 0E 76 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.268 125.2-104.8 -92.7 4.4 27.0 100.8 75.8 379 412 A G T < 5S+ 0 0 7 -3,-3.1 2,-0.5 43,-0.6 -3,-0.2 0.451 80.8 129.1 86.7 -1.5 26.5 99.1 79.2 380 413 A I < - 0 0 7 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.786 57.7-130.7 -84.7 126.7 23.0 98.0 78.6 381 414 A S - 0 0 6 -2,-0.5 -16,-2.2 -19,-0.4 2,-0.3 -0.559 30.3-167.9 -74.5 144.5 22.6 94.3 79.4 382 415 A T E -e 365 0A 11 -2,-0.2 2,-0.4 -18,-0.2 -16,-0.2 -0.903 22.9-156.9-135.5 148.0 20.8 92.3 76.7 383 416 A K E -e 366 0A 6 -18,-2.5 -16,-2.2 -2,-0.3 2,-0.3 -0.969 31.5-121.7-122.0 121.2 19.3 88.9 76.2 384 417 A W E > -e 367 0A 87 -2,-0.4 3,-0.8 -18,-0.2 4,-0.3 -0.417 19.2-147.7 -63.9 120.0 19.1 87.6 72.6 385 418 A S T > S+ 0 0 2 -18,-1.7 3,-1.2 -2,-0.3 4,-0.2 0.721 83.4 70.6 -64.2 -26.3 15.4 87.0 71.8 386 419 A V T >> S+ 0 0 18 1,-0.3 3,-3.0 -19,-0.2 4,-0.6 0.817 84.6 68.9 -68.3 -36.6 15.7 84.1 69.4 387 420 A E H X> S+ 0 0 24 -3,-0.8 4,-2.4 1,-0.3 3,-0.8 0.811 88.9 66.8 -51.0 -30.6 16.8 81.6 72.0 388 421 A F H <4 S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.741 96.9 56.0 -62.6 -17.2 13.3 81.9 73.4 389 422 A T H <4 S+ 0 0 43 -3,-3.0 -1,-0.2 -4,-0.2 -2,-0.2 0.715 117.7 28.8 -93.4 -17.8 12.0 80.2 70.3 390 423 A F H << S+ 0 0 120 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.676 98.0 89.0-119.1 -19.7 14.0 77.1 70.5 391 424 A A S < S- 0 0 27 -4,-2.4 2,-0.7 1,-0.1 11,-0.0 -0.361 92.4 -99.2 -62.3 156.5 14.7 76.5 74.2 392 425 A Q + 0 0 64 1,-0.1 9,-0.1 -220,-0.1 -1,-0.1 -0.769 59.4 153.3 -83.1 117.9 12.0 74.4 75.9 393 426 A I + 0 0 3 -2,-0.7 -151,-0.7 8,-0.1 2,-0.3 0.231 33.6 100.9-130.8 7.7 9.7 77.0 77.6 394 427 A H B +M 241 0D 9 -153,-0.2 -153,-0.2 3,-0.0 4,-0.1 -0.813 69.0 8.6-106.6 144.1 6.3 75.3 77.9 395 428 A G S > S- 0 0 4 -155,-2.3 3,-0.6 -2,-0.3 4,-0.4 -0.152 97.2 -59.8 89.5 178.4 4.7 73.7 80.9 396 429 A F G > S+ 0 0 6 1,-0.2 3,-2.3 2,-0.2 4,-0.4 0.994 128.6 55.3 -63.3 -57.3 5.6 73.4 84.6 397 430 A G G 3 S+ 0 0 51 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.561 107.5 52.2 -52.7 -10.1 9.0 71.7 84.1 398 431 A N G <> S+ 0 0 6 -3,-0.6 4,-1.7 2,-0.1 -1,-0.3 0.497 76.0 90.5-113.2 3.4 10.2 74.5 81.8 399 432 A A H <> S+ 0 0 0 -3,-2.3 4,-1.9 -4,-0.4 5,-0.2 0.899 88.2 56.7 -63.5 -34.3 9.6 77.6 83.8 400 433 A R H > S+ 0 0 117 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.920 102.5 55.0 -55.2 -47.4 13.2 77.2 85.1 401 434 A D H > S+ 0 0 30 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.916 104.6 53.3 -55.9 -43.1 14.5 77.2 81.5 402 435 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.948 112.3 44.3 -59.5 -49.5 12.8 80.5 80.8 403 436 A L H X S+ 0 0 0 -4,-1.9 4,-3.7 2,-0.2 5,-0.4 0.880 105.7 58.9 -64.2 -37.4 14.5 82.1 83.9 404 437 A E H X S+ 0 0 45 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.960 111.9 46.7 -53.5 -43.3 17.9 80.5 83.1 405 438 A L H < S+ 0 0 4 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.939 114.6 42.1 -61.1 -56.6 17.5 82.5 79.9 406 439 A V H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.831 118.9 45.3 -65.6 -36.0 16.3 85.8 81.4 407 440 A T H >X S+ 0 0 0 -4,-3.7 4,-3.0 1,-0.2 3,-1.4 0.682 85.9 94.0 -81.4 -12.5 18.9 85.8 84.2 408 441 A R H 3X S+ 0 0 75 -4,-1.2 4,-2.2 -3,-0.5 -1,-0.2 0.879 91.0 40.5 -50.9 -48.8 21.8 84.7 82.1 409 442 A P H 3> S+ 0 0 8 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.715 113.3 56.8 -70.0 -23.7 23.0 88.3 81.5 410 443 A L H <> S+ 0 0 7 -3,-1.4 4,-1.7 -4,-0.3 -2,-0.2 0.887 108.2 46.8 -69.5 -42.3 22.2 89.0 85.2 411 444 A R H X S+ 0 0 80 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.892 109.4 52.9 -65.5 -39.9 24.5 86.2 86.3 412 445 A R H X S+ 0 0 90 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.945 105.5 56.0 -66.7 -37.4 27.3 87.3 84.0 413 446 A N H < S+ 0 0 49 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.925 109.2 46.2 -52.0 -47.6 26.9 90.7 85.6 414 447 A Q H >< S+ 0 0 129 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.965 111.4 50.5 -57.9 -56.9 27.5 89.2 89.1 415 448 A A H 3< S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 117.2 41.0 -57.6 -24.1 30.5 87.1 88.1 416 449 A L T 3< S+ 0 0 105 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.3 0.142 84.0 128.9-112.4 18.7 32.2 90.1 86.4 417 450 A A < + 0 0 72 -3,-1.9 3,-0.1 1,-0.2 -3,-0.1 -0.429 57.8 42.3 -78.6 149.3 31.4 92.8 89.0 418 451 A G S S+ 0 0 83 1,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.829 84.1 103.9 82.4 36.8 34.2 95.1 90.3 419 452 A L S S- 0 0 78 -3,-0.3 2,-1.3 0, 0.0 -1,-0.1 -0.787 70.0-140.2-149.1 90.0 36.0 95.6 86.9 420 453 A G S S+ 0 0 85 -2,-0.2 2,-1.0 1,-0.1 3,-0.4 0.302 72.1 98.9 -45.6 3.4 35.1 99.2 85.8 421 454 A W + 0 0 176 -2,-1.3 3,-0.1 1,-0.2 -1,-0.1 -0.706 32.9 113.4-105.3 85.8 34.6 98.4 82.1 422 455 A Q S S+ 0 0 95 -2,-1.0 2,-0.8 1,-0.2 -43,-0.6 0.660 79.3 48.7-108.3 -41.4 30.9 98.0 81.3 423 456 A K B +N 378 0E 140 -3,-0.4 -45,-0.2 -45,-0.2 -1,-0.2 -0.810 68.2 141.9-105.7 92.4 30.5 101.2 79.1 424 457 A L + 0 0 85 -47,-1.4 -46,-0.2 -2,-0.8 -1,-0.1 -0.077 20.6 162.3-128.4 35.4 33.4 100.9 76.5 425 458 A V 0 0 72 -48,-0.6 53,-0.1 1,-0.1 -47,-0.0 0.146 360.0 360.0 -60.0 169.2 32.2 102.1 73.0 426 459 A A 0 0 101 51,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.707 360.0 360.0 -89.1 360.0 34.4 103.2 70.0 427 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 428 1 B M 0 0 3 0, 0.0 2,-0.4 0, 0.0 -363,-0.2 0.000 360.0 360.0 360.0 124.0 15.6 77.3 38.4 429 2 B K E -H 64 0B 76 -365,-2.6 -365,-3.2 2,-0.0 2,-0.6 -0.939 360.0-132.8-121.0 142.5 18.4 75.5 40.3 430 3 B L E +H 63 0B 53 -2,-0.4 2,-0.3 -367,-0.2 -367,-0.2 -0.829 47.5 135.6 -88.7 117.6 18.1 73.4 43.4 431 4 B A E -H 62 0B 27 -369,-1.9 -369,-3.0 -2,-0.6 3,-0.1 -0.985 36.9-173.7-154.2 160.3 20.7 74.3 46.1 432 5 B Y S S+ 0 0 49 -2,-0.3 2,-0.4 -371,-0.2 -1,-0.1 0.374 74.5 56.7-129.3 -2.7 21.2 75.0 49.8 433 6 B W - 0 0 14 -371,-0.1 2,-0.4 -386,-0.0 352,-0.3 -0.997 56.5-178.5-128.9 140.7 24.8 76.2 50.0 434 7 B M - 0 0 11 -2,-0.4 350,-0.1 -391,-0.1 3,-0.1 -0.994 20.9-155.3-138.8 140.1 26.4 79.1 48.3 435 8 B Y S S+ 0 0 12 348,-0.4 2,-0.4 -2,-0.4 -1,-0.1 0.807 84.9 38.4 -80.6 -27.1 30.0 80.3 48.5 436 9 B A S S- 0 0 13 347,-0.1 -1,-0.2 324,-0.1 3,-0.1 -0.972 83.0-129.5-130.4 136.2 29.3 83.9 47.5 437 10 B G - 0 0 1 -2,-0.4 121,-2.0 1,-0.2 122,-0.2 -0.269 38.3 -67.3 -82.7 171.4 26.3 85.9 48.7 438 11 B P >> - 0 0 3 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.031 55.9-101.1 -45.2 157.8 23.8 88.1 46.8 439 12 B A H >> S+ 0 0 3 117,-0.3 3,-1.1 1,-0.2 4,-1.1 0.860 116.8 65.3 -58.0 -39.2 25.1 91.3 45.2 440 13 B H H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.843 88.4 68.0 -62.4 -25.0 23.8 93.5 48.0 441 14 B I H <> S+ 0 0 3 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.906 98.8 51.4 -59.3 -36.2 26.2 92.0 50.5 442 15 B G H X S+ 0 0 0 -4,-1.9 3,-1.3 -5,-0.2 4,-1.1 0.963 113.9 46.1 -67.4 -45.5 31.8 98.5 51.2 447 20 B A H 3< S+ 0 0 1 -4,-2.8 3,-0.5 1,-0.3 6,-0.2 0.909 111.9 52.3 -64.0 -43.4 29.4 101.0 53.0 448 21 B S T 3< S+ 0 0 8 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.497 102.2 60.7 -68.2 -9.8 30.2 99.5 56.4 449 22 B S T <4 S+ 0 0 6 -3,-1.3 181,-3.4 -4,-0.4 182,-0.3 0.803 95.9 66.6 -92.9 -31.7 33.9 99.8 56.0 450 23 B F S >< S- 0 0 8 -4,-1.1 3,-0.5 -3,-0.5 2,-0.3 -0.438 90.7-110.9 -74.8 162.6 34.0 103.6 55.6 451 24 B K T 3 S+ 0 0 113 180,-2.0 182,-0.4 1,-0.2 63,-0.1 -0.649 94.9 11.4 -89.3 152.8 33.1 105.9 58.4 452 25 B N T 3 S+ 0 0 93 -2,-0.3 62,-2.1 1,-0.2 63,-1.4 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