==== 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 TRANSFERASE, HYDROLASE 15-SEP-05 2B1I . COMPND 2 MOLECULE: BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.XU,Y.CHONG,I.HWANG,A.D'ONOFRIO,K.AMORE,G.P.BEARDSLEY,C.LI, . 1180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 849 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 72 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 399 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 3 2 5 3 10 4 5 4 0 2 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 4 1 3 7 3 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 . 7 2 1 9 2 4 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 . 2 0 0 2 0 0 0 0 1 0 2 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 4 A R 0 0 232 0, 0.0 2,-0.3 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 131.8 8.1 -3.8 -29.8 2 5 A Q - 0 0 110 25,-0.1 2,-0.2 1,-0.0 91,-0.2 -0.487 360.0-147.3 -60.9 121.0 10.2 -6.6 -28.4 3 6 A Q - 0 0 48 23,-0.4 25,-2.5 -2,-0.3 2,-0.3 -0.610 15.9-126.5 -94.5 161.1 10.9 -5.9 -24.8 4 7 A L E -ab 28 94A 1 89,-2.6 91,-3.2 23,-0.3 92,-1.7 -0.681 16.7-151.8-119.2 156.1 14.1 -7.0 -23.1 5 8 A A E -ab 29 96A 0 23,-3.3 25,-3.0 -2,-0.3 2,-0.5 -0.991 23.1-156.5-117.8 113.7 15.7 -8.9 -20.2 6 9 A L E -ab 30 97A 1 90,-2.6 92,-3.1 -2,-0.5 2,-0.5 -0.838 13.1-172.3 -94.3 126.5 19.0 -7.4 -19.3 7 10 A L E +ab 31 98A 0 23,-3.5 25,-1.1 -2,-0.5 2,-0.2 -0.980 22.0 149.1-126.1 123.4 21.3 -9.9 -17.6 8 11 A S E + b 0 99A 13 90,-2.9 92,-1.1 -2,-0.5 2,-0.4 -0.743 19.7 161.4-152.1 102.2 24.6 -9.2 -16.0 9 12 A V E - b 0 100A 5 90,-0.3 92,-0.2 -2,-0.2 3,-0.1 -0.962 36.8-161.8-128.3 136.8 25.5 -11.3 -13.0 10 13 A S S S+ 0 0 48 90,-0.9 2,-0.7 -2,-0.4 -1,-0.1 0.730 94.4 60.6 -83.3 -27.3 28.7 -12.1 -11.3 11 14 A E - 0 0 110 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 -0.911 69.9-173.0 -99.0 114.5 26.9 -15.1 -9.7 12 15 A K >> + 0 0 88 -2,-0.7 3,-1.3 2,-0.1 4,-0.6 0.284 41.3 123.5 -93.9 9.0 25.8 -17.2 -12.6 13 16 A A T 34 S+ 0 0 49 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.523 82.0 7.9 -76.2 135.9 23.8 -19.6 -10.5 14 17 A G T 3> S+ 0 0 40 -2,-0.2 4,-0.8 135,-0.0 -1,-0.2 0.334 102.6 109.7 73.5 5.5 20.1 -20.0 -11.4 15 18 A L H <> + 0 0 1 -3,-1.3 4,-3.2 2,-0.2 5,-0.3 0.906 69.1 52.1 -76.2 -55.9 20.9 -17.9 -14.6 16 19 A V H X S+ 0 0 56 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.856 114.9 41.7 -45.8 -47.7 20.6 -20.5 -17.3 17 20 A E H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.790 115.2 49.4 -77.6 -30.4 17.1 -21.6 -16.1 18 21 A F H X S+ 0 0 4 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.951 109.1 51.1 -70.5 -46.0 15.8 -18.3 -15.5 19 22 A A H X S+ 0 0 0 -4,-3.2 4,-3.6 2,-0.2 5,-0.3 0.893 108.6 53.4 -62.4 -41.4 16.9 -16.9 -18.9 20 23 A R H X S+ 0 0 106 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.921 110.4 46.9 -54.4 -44.7 15.2 -19.8 -20.5 21 24 A S H < S+ 0 0 45 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.829 115.0 47.1 -66.5 -35.0 12.1 -18.9 -18.6 22 25 A L H ><>S+ 0 0 0 -4,-2.8 3,-1.6 2,-0.2 5,-1.4 0.953 113.4 45.4 -72.1 -52.7 12.5 -15.2 -19.6 23 26 A N H ><5S+ 0 0 54 -4,-3.6 3,-2.0 1,-0.3 -2,-0.2 0.884 107.7 60.4 -55.5 -40.3 13.2 -15.9 -23.3 24 27 A A T 3<5S+ 0 0 70 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.585 99.8 56.7 -65.5 -12.0 10.2 -18.4 -23.2 25 28 A L T < 5S- 0 0 21 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.561 128.0-101.8 -87.6 -13.4 8.1 -15.3 -22.2 26 29 A G T < 5S+ 0 0 46 -3,-2.0 2,-0.4 -4,-0.4 -23,-0.4 0.767 74.3 145.5 89.6 32.3 9.2 -13.6 -25.4 27 30 A L < - 0 0 5 -5,-1.4 2,-0.4 -8,-0.1 -1,-0.3 -0.876 51.2-122.2 -98.6 133.8 11.8 -11.4 -23.8 28 31 A G E -a 4 0A 6 -25,-2.5 -23,-3.3 -2,-0.4 2,-0.7 -0.638 25.6-130.0 -75.2 126.3 15.0 -10.6 -25.7 29 32 A L E +ac 5 46A 3 16,-0.7 18,-2.6 -2,-0.4 2,-0.4 -0.695 30.5 175.8 -84.1 110.7 18.1 -11.6 -23.7 30 33 A I E +ac 6 47A 5 -25,-3.0 -23,-3.5 -2,-0.7 2,-0.3 -0.934 9.5 164.6-108.8 140.0 20.7 -8.9 -23.4 31 34 A A E -ac 7 48A 0 16,-1.4 18,-1.9 -2,-0.4 19,-0.2 -0.998 39.0-107.3-150.7 150.6 23.8 -9.5 -21.4 32 35 A S > - 0 0 6 -25,-1.1 4,-3.5 -2,-0.3 5,-0.3 -0.249 60.0 -83.0 -61.6 169.1 27.3 -8.2 -20.7 33 36 A G H > S+ 0 0 12 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.868 124.9 36.1 -47.6 -62.9 30.2 -10.4 -22.1 34 37 A G H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.824 120.1 48.7 -66.9 -33.9 30.6 -13.1 -19.4 35 38 A T H > S+ 0 0 5 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.936 114.2 46.5 -70.4 -47.2 26.9 -13.3 -18.6 36 39 A A H X S+ 0 0 0 -4,-3.5 4,-3.1 2,-0.2 5,-0.3 0.941 110.8 52.8 -52.6 -53.8 26.1 -13.5 -22.4 37 40 A T H X S+ 0 0 65 -4,-3.5 4,-1.7 -5,-0.3 -2,-0.2 0.885 108.4 52.4 -49.7 -42.3 28.9 -16.1 -22.7 38 41 A A H X S+ 0 0 23 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.941 115.3 38.7 -61.7 -49.9 27.2 -18.0 -19.9 39 42 A L H <>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 -2,-0.2 0.788 114.4 54.8 -69.8 -30.5 23.7 -18.0 -21.6 40 43 A R H ><5S+ 0 0 110 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.770 104.8 53.3 -73.5 -29.2 25.3 -18.6 -25.1 41 44 A D H 3<5S+ 0 0 134 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.680 103.2 59.9 -74.9 -20.9 27.1 -21.7 -23.8 42 45 A A T 3<5S- 0 0 34 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.523 120.5-108.1 -82.5 -10.4 23.6 -22.9 -22.6 43 46 A G T < 5S+ 0 0 62 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.886 71.8 142.1 79.2 41.6 22.2 -22.8 -26.1 44 47 A L < - 0 0 11 -5,-1.5 2,-1.0 2,-0.0 -1,-0.3 -0.910 60.5-110.0-110.5 148.2 20.0 -19.8 -25.6 45 48 A P + 0 0 83 0, 0.0 -16,-0.7 0, 0.0 2,-0.4 -0.610 59.0 148.1 -76.6 106.7 19.3 -16.9 -27.9 46 49 A V E -c 29 0A 16 -2,-1.0 2,-0.4 -18,-0.1 -16,-0.2 -1.000 32.5-154.8-140.1 135.7 21.1 -14.0 -26.3 47 50 A R E -c 30 0A 99 -18,-2.6 -16,-1.4 -2,-0.4 5,-0.0 -0.895 26.8-109.5-110.5 145.4 22.8 -10.9 -27.7 48 51 A D E > -c 31 0A 30 -2,-0.4 3,-1.1 -18,-0.2 4,-0.2 -0.254 21.4-121.4 -63.1 153.1 25.7 -8.9 -26.1 49 52 A V T >>>S+ 0 0 0 -18,-1.9 3,-3.4 1,-0.2 4,-2.4 0.947 109.2 75.5 -56.8 -50.0 25.1 -5.4 -24.7 50 53 A S H 3>5S+ 0 0 36 1,-0.3 4,-1.2 -19,-0.2 -1,-0.2 0.707 97.8 43.6 -23.8 -44.9 27.8 -4.4 -27.2 51 54 A D H <45S+ 0 0 89 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.401 112.2 49.2-101.2 4.5 25.4 -4.7 -30.1 52 55 A L H <45S+ 0 0 30 -3,-3.4 -2,-0.2 -4,-0.2 -1,-0.1 0.730 122.7 34.0 -96.3 -37.0 22.3 -3.0 -28.5 53 56 A T H <5S- 0 0 28 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.816 100.3-132.8 -83.2 -34.8 24.4 -0.0 -27.4 54 57 A G S <> +E 63 0B 3 5,-1.7 5,-1.6 -2,-0.3 4,-0.6 -0.898 43.8 38.9-139.2 170.2 36.1 -1.2 -22.5 59 62 A L T >45S- 0 0 0 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.834 131.5 -51.3 63.0 38.8 38.9 -0.5 -19.9 60 63 A G T 345S- 0 0 76 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.946 110.9 -48.5 62.9 48.2 39.1 -4.2 -19.0 61 64 A G T 345S+ 0 0 11 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.480 104.4 124.7 73.6 4.9 35.3 -4.4 -18.4 62 65 A R T <<5S+ 0 0 14 -4,-0.6 2,-0.5 -3,-0.5 63,-0.2 0.695 78.7 44.3 -66.9 -18.9 35.0 -1.2 -16.2 63 66 A V B < +E 58 0B 0 -5,-1.6 -5,-1.7 1,-0.1 -2,-0.2 -0.986 68.3 127.9-127.0 115.9 32.4 0.0 -18.7 64 67 A K S S+ 0 0 52 -2,-0.5 -1,-0.1 -7,-0.2 -9,-0.1 0.580 83.3 11.0-131.9 -50.8 29.9 -2.6 -19.9 65 68 A T S S+ 0 0 4 1,-0.1 2,-2.2 593,-0.0 6,-0.2 0.184 84.8 116.9-122.4 11.7 26.3 -1.3 -19.4 66 69 A L + 0 0 0 4,-0.1 596,-0.2 592,-0.0 597,-0.1 -0.496 53.0 113.7 -82.4 72.2 26.9 2.4 -18.7 67 70 A H S > S- 0 0 2 -2,-2.2 4,-2.6 591,-0.2 3,-0.4 -0.993 74.8-124.5-147.9 141.8 25.1 3.4 -21.9 68 71 A P H >>S+ 0 0 11 0, 0.0 4,-3.8 0, 0.0 5,-0.5 0.801 109.0 61.9 -66.6 -29.3 21.9 5.2 -22.5 69 72 A A H >5S+ 0 0 4 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.937 112.5 40.1 -56.0 -45.5 20.4 2.4 -24.6 70 73 A V H >5S+ 0 0 7 -3,-0.4 4,-1.5 2,-0.2 24,-0.2 0.972 122.4 39.5 -63.6 -57.9 20.7 0.3 -21.5 71 74 A H H X5S+ 0 0 0 -4,-2.6 4,-3.4 586,-0.2 -2,-0.2 0.866 115.6 49.3 -70.2 -38.1 19.5 3.0 -19.1 72 75 A A H X5S+ 0 0 0 -4,-3.8 4,-2.5 2,-0.2 -1,-0.2 0.927 109.8 53.8 -62.2 -44.1 16.8 4.5 -21.2 73 76 A G H <> S- 0 0 52 -2,-2.4 4,-2.4 1,-0.1 3,-1.0 -0.970 76.4-109.8-132.0 149.3 4.1 7.7 -21.1 80 83 A P H 3> S+ 0 0 95 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.850 113.4 50.7 -46.9 -54.9 4.0 9.6 -24.5 81 84 A E H 3> S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 569,-0.3 0.800 115.3 45.0 -57.6 -32.1 7.1 11.8 -24.0 82 85 A D H <> S+ 0 0 2 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.881 111.0 51.7 -78.0 -42.7 9.2 8.8 -23.0 83 86 A N H X S+ 0 0 55 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.902 112.7 47.7 -56.7 -44.1 7.8 6.7 -25.9 84 87 A A H X S+ 0 0 59 -4,-3.1 4,-2.3 -5,-0.2 3,-0.2 0.973 111.7 49.0 -59.8 -56.9 8.8 9.5 -28.2 85 88 A D H < S+ 0 0 53 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.876 112.5 48.8 -48.0 -45.5 12.2 9.8 -26.6 86 89 A M H ><>S+ 0 0 4 -4,-2.7 5,-2.6 1,-0.2 3,-0.6 0.858 110.3 50.4 -69.1 -38.0 12.8 6.1 -26.9 87 90 A N H ><5S+ 0 0 84 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.915 100.1 61.6 -65.6 -45.6 11.7 5.9 -30.6 88 91 A K T 3<5S+ 0 0 184 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.634 118.4 32.3 -58.2 -13.2 14.0 8.8 -31.7 89 92 A Q T < 5S- 0 0 58 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.406 108.3-127.5-114.8 -9.4 16.9 6.5 -30.6 90 93 A D T < 5 + 0 0 130 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.934 49.3 164.1 48.9 58.8 15.1 3.3 -31.4 91 94 A F < - 0 0 24 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.869 32.1-134.7-101.5 134.3 15.7 1.9 -27.9 92 95 A S - 0 0 28 -2,-0.4 2,-0.3 -40,-0.1 -89,-0.1 -0.625 25.2-109.2 -84.3 148.3 13.8 -1.1 -26.7 93 96 A L - 0 0 27 -2,-0.3 -89,-2.6 -91,-0.2 2,-0.6 -0.611 22.7-138.7 -71.0 130.4 12.3 -1.2 -23.2 94 97 A V E -b 4 0A 2 -21,-2.7 -89,-0.2 -2,-0.3 3,-0.1 -0.851 22.0-179.9 -85.2 122.6 14.1 -3.5 -20.7 95 98 A R E + 0 0 48 -91,-3.2 46,-3.1 -2,-0.6 2,-0.4 0.736 67.6 34.6 -93.2 -30.7 11.3 -5.2 -18.7 96 99 A V E -bd 5 141A 0 -92,-1.7 -90,-2.6 44,-0.2 2,-0.5 -0.994 62.8-165.2-131.0 133.0 13.4 -7.3 -16.5 97 100 A V E -bd 6 142A 0 44,-3.0 46,-3.5 -2,-0.4 2,-0.6 -0.985 5.5-175.8-117.3 119.2 16.9 -6.5 -15.0 98 101 A V E +bd 7 143A 0 -92,-3.1 -90,-2.9 -2,-0.5 2,-0.4 -0.942 24.2 145.0-117.6 108.4 18.8 -9.3 -13.6 99 102 A C E -b 8 0A 1 44,-1.5 2,-0.3 -2,-0.6 -90,-0.3 -0.999 24.8-179.4-143.9 134.4 22.0 -8.1 -12.0 100 103 A N E -b 9 0A 14 -92,-1.1 -90,-0.9 -2,-0.4 45,-0.1 -0.968 34.6-113.3-133.3 153.9 24.1 -9.1 -9.1 101 104 A L - 0 0 13 -2,-0.3 -91,-0.1 1,-0.2 21,-0.1 -0.297 33.6 -80.1 -93.3 158.2 27.2 -7.2 -8.3 102 105 A Y - 0 0 47 1,-0.2 2,-2.6 -92,-0.1 21,-0.4 -0.334 59.0-107.0 -47.0 133.6 30.9 -7.8 -8.3 103 106 A P > + 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 -0.381 61.0 154.0 -76.7 72.1 31.4 -9.7 -4.9 104 107 A F H > S+ 0 0 0 -2,-2.6 4,-3.1 17,-0.3 5,-0.3 0.904 72.6 50.1 -65.7 -45.9 33.1 -6.8 -3.1 105 108 A V H > S+ 0 0 81 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.951 112.7 46.6 -60.4 -48.7 32.0 -8.0 0.3 106 109 A K H > S+ 0 0 146 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.879 116.4 48.0 -58.6 -35.9 33.3 -11.5 -0.5 107 110 A T H >< S+ 0 0 24 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.945 110.7 45.3 -74.6 -51.7 36.5 -10.0 -1.8 108 111 A V H 3< S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.660 104.0 65.0 -70.0 -16.8 37.4 -7.6 1.0 109 112 A S H 3< S+ 0 0 89 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.799 81.2 103.1 -72.1 -27.5 36.7 -10.2 3.6 110 113 A S S X< S- 0 0 51 -3,-0.9 3,-1.0 -4,-0.6 -3,-0.0 -0.162 84.9-110.9 -55.3 151.8 39.6 -12.2 2.3 111 114 A P T 3 S+ 0 0 137 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.945 103.8 20.9 -55.8 -74.7 42.8 -12.0 4.4 112 115 A G T 3 S+ 0 0 66 2,-0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.046 82.0 161.1 -91.9 33.3 45.4 -10.0 2.5 113 116 A V < - 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0 0 4 -2,-0.4 18,-2.5 -161,-0.2 19,-0.3 -0.294 67.5 -62.0 -60.4 139.6 19.8 2.9 32.0 428 431 A S S S+ 0 0 0 161,-2.4 2,-0.1 16,-0.3 -1,-0.1 -0.323 109.6 36.4 -91.0 162.6 16.1 2.5 32.9 429 432 A N S S+ 0 0 3 16,-0.3 17,-1.7 14,-0.1 2,-0.3 0.692 83.8 167.4 -73.2 158.9 14.2 2.4 35.0 430 433 A S - 0 0 0 14,-0.2 107,-2.7 15,-0.1 2,-0.4 -0.996 27.5-175.1-144.2 147.8 16.0 5.1 37.0 431 434 A V E -VW 443 536D 0 12,-0.8 12,-2.8 -2,-0.3 2,-0.4 -0.980 14.9-162.8-134.7 137.7 15.6 7.4 39.9 432 435 A C E -VW 442 535D 0 103,-3.2 103,-2.9 -2,-0.4 2,-0.4 -0.989 7.2-162.4-129.7 128.4 18.2 10.0 40.8 433 436 A Y E -VW 441 534D 0 8,-3.6 7,-3.1 -2,-0.4 8,-1.9 -0.872 20.0-175.4 -99.8 139.1 18.6 11.9 44.1 434 437 A A E +VW 439 533D 0 99,-2.9 99,-3.4 -2,-0.4 2,-0.3 -0.971 14.5 166.9-141.4 152.7 20.7 15.0 43.9 435 438 A K E > +V 438 0D 32 3,-2.2 3,-1.6 -2,-0.3 97,-0.1 -0.954 66.3 13.9-162.4 140.2 22.0 17.5 46.3 436 439 A D T 3 S- 0 0 54 -2,-0.3 -161,-0.3 1,-0.3 -163,-0.1 0.810 130.7 -54.4 57.1 36.4 24.7 20.3 46.0 437 440 A G T 3 S+ 0 0 0 -26,-0.3 -164,-2.6 1,-0.2 2,-0.3 0.618 119.3 92.5 80.6 12.2 24.9 20.1 42.3 438 441 A Q E < S-RV 272 435D 0 -3,-1.6 -3,-2.2 -166,-0.3 -166,-0.3 -0.972 81.2-100.5-140.1 154.1 25.6 16.4 42.2 439 442 A V E + V 0 434D 0 -168,-3.3 -5,-0.3 -2,-0.3 -168,-0.2 -0.517 35.1 173.2 -61.4 128.5 24.1 13.0 42.0 440 443 A I E + 0 0 1 -7,-3.1 23,-0.3 1,-0.3 2,-0.3 0.565 68.5 10.3-111.3 -17.7 23.9 11.5 45.5 441 444 A G E + V 0 433D 2 -8,-1.9 -8,-3.6 19,-0.1 2,-0.4 -0.870 66.2 179.6-162.1 128.5 22.0 8.4 44.7 442 445 A I E - V 0 432D 6 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.990 13.5-158.6-138.4 134.1 21.0 6.8 41.5 443 446 A G E - V 0 431D 0 -12,-2.8 -12,-0.8 -2,-0.4 2,-0.4 -0.949 19.3-178.0-109.9 135.1 19.2 3.7 40.5 444 447 A A + 0 0 4 -2,-0.4 -16,-0.3 -14,-0.2 -14,-0.2 -0.977 55.4 8.9-131.6 148.4 19.7 2.2 37.1 445 448 A G S S+ 0 0 1 -18,-2.5 -16,-0.3 -2,-0.4 -17,-0.2 0.592 84.6 146.7 71.1 13.9 18.4 -0.7 35.1 446 449 A Q - 0 0 8 -17,-1.7 -1,-0.2 -19,-0.3 3,-0.1 -0.266 43.3-148.3 -91.7 175.4 15.6 -1.6 37.6 447 450 A Q S S+ 0 0 6 1,-0.2 2,-0.3 -2,-0.1 457,-0.2 0.215 74.6 50.7-133.5 6.7 12.1 -2.9 37.0 448 451 A S S > S- 0 0 7 1,-0.1 4,-1.9 455,-0.1 5,-0.2 -0.969 71.9-134.4-148.9 137.1 9.8 -1.6 39.6 449 452 A R H > S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.2 3,-0.2 0.967 105.2 45.6 -63.2 -50.8 9.4 2.1 40.4 450 453 A I H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.890 111.1 53.5 -61.3 -38.2 9.5 1.6 44.2 451 454 A H H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.864 111.0 46.9 -67.2 -32.3 12.4 -0.7 44.0 452 455 A C H X S+ 0 0 0 -4,-1.9 4,-3.2 -3,-0.2 5,-0.3 0.932 111.2 50.3 -70.7 -45.1 14.3 1.8 42.1 453 456 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.902 115.7 44.8 -57.8 -42.8 13.4 4.6 44.5 454 457 A R H X S+ 0 0 31 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.931 113.2 49.1 -65.7 -47.9 14.5 2.4 47.3 455 458 A L H X S+ 0 0 34 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.940 118.5 39.1 -59.7 -49.4 17.7 1.3 45.5 456 459 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.908 114.2 55.7 -64.2 -42.0 18.7 4.9 44.7 457 460 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.889 106.9 49.9 -58.5 -44.9 17.4 6.1 48.1 458 461 A D H X S+ 0 0 87 -4,-2.9 4,-1.8 2,-0.2 -1,-0.3 0.785 109.0 51.2 -65.1 -32.4 19.7 3.6 49.8 459 462 A K H X S+ 0 0 30 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.863 110.3 49.0 -69.0 -38.6 22.6 4.8 47.7 460 463 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.902 107.5 57.0 -65.4 -36.5 21.7 8.3 48.8 461 464 A N H X S+ 0 0 23 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.923 109.4 45.1 -54.2 -48.9 21.6 6.9 52.4 462 465 A S H X S+ 0 0 16 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.819 109.8 53.0 -67.6 -35.9 25.2 5.8 51.9 463 466 A W H < S+ 0 0 2 -4,-1.9 -1,-0.2 -23,-0.3 -2,-0.2 0.924 114.6 42.8 -67.0 -44.4 26.4 9.0 50.4 464 467 A W H >< S+ 0 0 33 -4,-2.4 3,-2.3 1,-0.2 4,-0.3 0.920 110.1 55.4 -66.7 -45.6 25.0 10.9 53.3 465 468 A L H >< S+ 0 0 7 -4,-2.8 3,-1.5 1,-0.3 6,-0.3 0.788 97.2 65.5 -57.3 -28.6 26.2 8.4 55.9 466 469 A R T 3< S+ 0 0 18 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.614 97.0 56.5 -70.5 -8.5 29.7 8.9 54.4 467 470 A H T < S+ 0 0 3 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.471 79.6 120.5 -95.5 -7.8 29.3 12.5 55.8 468 471 A H S X> S- 0 0 25 -3,-1.5 4,-2.5 -4,-0.3 3,-1.8 -0.364 75.5-125.2 -59.0 132.9 28.7 11.1 59.2 469 472 A P H 3> S+ 0 0 73 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.836 110.9 60.9 -52.3 -31.3 31.4 12.4 61.5 470 473 A R H 34 S+ 0 0 71 1,-0.2 -4,-0.1 2,-0.2 -2,-0.1 0.799 109.1 41.2 -65.2 -29.2 32.3 8.8 62.4 471 474 A V H X4 S+ 0 0 11 -3,-1.8 3,-1.8 -6,-0.3 -1,-0.2 0.902 112.3 54.3 -82.6 -43.5 33.1 8.1 58.8 472 475 A L H 3< S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.789 110.8 47.4 -59.5 -30.3 34.9 11.4 58.3 473 476 A S T 3< S+ 0 0 62 -4,-1.8 -1,-0.3 -5,-0.3 2,-0.2 0.224 78.7 131.3-101.3 13.4 37.2 10.7 61.3 474 477 A M < - 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