==== 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 HYDROLASE 24-SEP-03 1R1J . COMPND 2 MOLECULE: NEPRILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.OEFNER,B.P.ROQUES,M.C.FOURNIE-ZALUSKI,G.E.DALE . 696 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 30 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 3 2 1 1 3 2 4 2 1 0 1 2 0 2 0 2 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 54 A G 0 0 92 0, 0.0 619,-1.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 5.9 44.2 71.8 50.0 2 55 A I B -a 620 0A 72 617,-0.2 2,-0.3 2,-0.0 619,-0.2 -0.745 360.0-120.5 -67.9 125.8 42.4 68.7 51.2 3 56 A a - 0 0 23 617,-2.6 -1,-0.0 -2,-0.5 615,-0.0 -0.544 28.8-176.2 -57.4 129.4 38.7 68.5 50.1 4 57 A K + 0 0 186 -2,-0.3 -1,-0.1 617,-0.1 2,-0.1 0.068 30.8 136.6-123.0 21.1 36.6 68.5 53.3 5 58 A S >> - 0 0 46 1,-0.1 4,-2.2 509,-0.1 3,-0.8 -0.393 64.5-121.6 -71.5 148.2 33.2 68.0 51.6 6 59 A S H 3> S+ 0 0 83 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.869 118.9 52.6 -56.9 -36.9 30.7 65.6 53.2 7 60 A D H 3> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.782 108.2 53.2 -68.6 -24.8 30.7 63.8 49.9 8 61 A a H <> S+ 0 0 5 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.908 109.5 44.0 -76.2 -42.3 34.5 63.7 50.1 9 62 A I H X S+ 0 0 79 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.674 108.1 62.8 -80.7 -15.4 34.7 62.1 53.6 10 63 A K H X S+ 0 0 132 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.2 0.971 110.7 35.1 -65.1 -55.8 32.0 59.6 52.5 11 64 A S H X S+ 0 0 9 -4,-1.4 4,-3.1 1,-0.2 5,-0.2 0.899 116.3 54.4 -71.7 -40.1 34.1 58.1 49.8 12 65 A A H X S+ 0 0 2 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.934 106.6 53.5 -52.6 -46.5 37.4 58.5 51.7 13 66 A A H X S+ 0 0 31 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.908 112.0 45.1 -54.3 -43.7 35.7 56.6 54.5 14 67 A R H X S+ 0 0 50 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.901 113.7 47.5 -71.7 -43.8 34.8 53.8 52.1 15 68 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 3,-0.3 0.958 113.3 49.3 -58.8 -50.9 38.3 53.7 50.5 16 69 A I H < S+ 0 0 71 -4,-3.3 3,-0.2 1,-0.2 -2,-0.2 0.927 112.7 45.6 -54.5 -50.5 40.0 53.7 53.8 17 70 A Q H < S+ 0 0 95 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.767 113.8 48.4 -73.5 -26.2 37.9 50.9 55.3 18 71 A N H < S+ 0 0 24 -4,-1.6 19,-1.9 -3,-0.3 18,-1.3 0.801 102.5 69.9 -81.1 -31.3 38.1 48.6 52.2 19 72 A M < - 0 0 23 -4,-1.8 2,-0.4 17,-0.2 14,-0.2 -0.366 67.6-143.2 -88.5 163.3 41.9 48.8 51.6 20 73 A D > - 0 0 46 12,-2.7 3,-1.8 11,-0.3 15,-0.1 -0.884 8.5-170.4-127.2 107.4 44.7 47.3 53.7 21 74 A A T 3 S+ 0 0 78 -2,-0.4 -1,-0.1 1,-0.3 11,-0.1 0.712 77.9 78.5 -68.9 -21.0 47.8 49.6 53.7 22 75 A T T 3 S+ 0 0 124 10,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.693 85.0 81.4 -61.0 -15.3 49.9 46.9 55.3 23 76 A T S < S- 0 0 26 -3,-1.8 -3,-0.1 8,-0.1 12,-0.0 -0.738 86.0-120.7-100.9 138.6 50.1 45.3 51.9 24 77 A E >> - 0 0 98 -2,-0.4 3,-2.6 1,-0.2 4,-1.8 -0.658 18.0-148.7 -74.5 114.1 52.5 46.4 49.1 25 78 A P T 34 S+ 0 0 13 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.709 97.4 58.1 -58.1 -23.1 50.3 47.4 46.2 26 79 A b T 34 S+ 0 0 7 2,-0.2 661,-1.9 1,-0.1 662,-0.3 0.481 107.9 48.0 -84.9 -5.3 53.0 46.3 43.7 27 80 A T T <4 S- 0 0 85 -3,-2.6 -1,-0.1 659,-0.2 2,-0.1 0.807 137.1 -9.9-101.1 -43.9 52.8 42.8 45.3 28 81 A D >X - 0 0 41 -4,-1.8 4,-2.2 1,-0.1 3,-0.9 -0.537 57.5-175.2-160.5 86.9 49.1 42.2 45.3 29 82 A F H 3> S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.3 5,-0.1 0.636 85.4 61.9 -69.2 -14.6 46.8 45.1 44.5 30 83 A F H 3> S+ 0 0 31 2,-0.2 4,-2.5 3,-0.2 -1,-0.3 0.907 107.6 42.6 -69.0 -45.9 43.7 43.1 45.3 31 84 A K H <> S+ 0 0 119 -3,-0.9 4,-2.3 2,-0.2 -11,-0.3 0.906 117.5 48.0 -67.5 -42.7 44.9 42.6 48.9 32 85 A Y H < S+ 0 0 17 -4,-2.2 -12,-2.7 1,-0.2 4,-0.3 0.966 119.7 38.0 -55.4 -55.3 45.9 46.3 49.0 33 86 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 -14,-0.2 -1,-0.2 0.835 136.6 15.4 -66.3 -34.1 42.6 47.4 47.5 34 87 A c H X S+ 0 0 0 -4,-2.5 4,-2.4 -15,-0.1 3,-0.4 0.405 86.8 104.2-130.1 -4.5 40.3 45.0 49.2 35 88 A G H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.3 -16,-0.2 0.793 84.3 55.6 -66.6 -29.4 42.0 43.3 52.2 36 89 A G H > S+ 0 0 10 -18,-1.3 4,-1.5 -4,-0.3 -1,-0.3 0.906 109.8 45.9 -62.3 -46.1 40.1 45.5 54.6 37 90 A W H > S+ 0 0 18 -19,-1.9 4,-1.5 -3,-0.4 -2,-0.2 0.912 109.6 56.0 -61.9 -42.7 36.8 44.3 53.1 38 91 A L H < S+ 0 0 51 -4,-2.4 3,-0.3 -20,-0.3 -2,-0.2 0.941 110.1 43.2 -58.4 -49.1 38.0 40.7 53.1 39 92 A K H < S+ 0 0 189 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.3 49.7 -65.3 -38.1 38.7 40.6 56.8 40 93 A R H < S+ 0 0 166 -4,-1.5 2,-0.2 -5,-0.2 -1,-0.2 0.763 107.0 50.4 -77.3 -27.4 35.6 42.4 58.0 41 94 A N < - 0 0 68 -4,-1.5 2,-0.4 -3,-0.3 0, 0.0 -0.713 58.4-153.3-123.7 157.4 32.9 40.6 56.2 42 95 A V - 0 0 113 -2,-0.2 3,-0.1 601,-0.0 -3,-0.0 -0.986 34.1-101.3-132.2 143.8 31.6 37.1 55.5 43 96 A I - 0 0 21 -2,-0.4 7,-0.1 7,-0.1 601,-0.0 -0.483 45.9-121.6 -61.7 116.1 29.6 35.6 52.7 44 97 A P > - 0 0 41 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.093 21.2-110.6 -53.0 158.8 26.0 35.3 53.9 45 98 A E T 3 S+ 0 0 98 1,-0.3 303,-1.8 302,-0.1 304,-1.1 0.675 118.7 52.0 -70.4 -14.9 24.5 31.8 53.9 46 99 A T T 3 S+ 0 0 58 301,-0.2 2,-0.4 302,-0.2 -1,-0.3 0.425 96.9 83.1 -99.4 -2.5 22.2 32.9 51.0 47 100 A S < - 0 0 18 -3,-1.3 3,-0.1 1,-0.1 301,-0.1 -0.877 51.1-169.4-110.6 134.1 24.9 34.2 48.8 48 101 A S S S+ 0 0 28 -2,-0.4 597,-2.4 1,-0.3 2,-0.3 0.662 89.3 15.6 -83.9 -18.9 27.2 32.2 46.4 49 102 A R E S-B 644 0B 48 595,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.984 71.4-171.5-153.7 150.2 29.3 35.3 46.1 50 103 A Y E +B 643 0B 34 593,-2.0 593,-2.1 -2,-0.3 2,-0.3 -0.979 27.6 97.5-150.7 156.1 29.6 38.5 48.0 51 104 A G E > S-B 642 0B 2 -2,-0.3 4,-2.6 591,-0.3 591,-0.3 -0.951 81.4 -43.1 146.5-171.1 31.3 41.9 47.6 52 105 A N H > S+ 0 0 24 589,-2.1 4,-2.6 -2,-0.3 5,-0.2 0.885 129.9 48.1 -68.1 -40.0 30.6 45.4 46.5 53 106 A F H > S+ 0 0 18 586,-0.4 4,-1.7 588,-0.3 -1,-0.2 0.969 115.8 45.4 -60.5 -50.0 28.6 44.6 43.3 54 107 A D H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.839 110.7 54.4 -64.2 -32.9 26.4 42.1 45.2 55 108 A I H X S+ 0 0 34 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.937 105.5 52.3 -66.0 -45.2 26.0 44.6 48.0 56 109 A L H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.880 109.5 51.5 -53.8 -37.1 24.8 47.2 45.6 57 110 A R H X S+ 0 0 76 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.858 107.9 49.6 -73.2 -34.8 22.2 44.7 44.4 58 111 A D H X S+ 0 0 47 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.871 111.8 50.0 -69.6 -34.0 21.0 43.9 47.8 59 112 A E H X S+ 0 0 106 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.888 107.2 54.1 -71.6 -36.5 20.6 47.6 48.5 60 113 A L H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.907 103.9 55.5 -63.1 -40.6 18.7 48.0 45.2 61 114 A E H X S+ 0 0 18 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.824 99.8 61.4 -61.7 -28.3 16.2 45.3 46.2 62 115 A V H X S+ 0 0 59 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.2 0.950 105.6 45.6 -65.6 -47.1 15.5 47.2 49.4 63 116 A V H X S+ 0 0 37 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.901 110.5 54.4 -55.9 -43.8 14.2 50.2 47.4 64 117 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.936 107.7 50.2 -58.7 -45.8 12.2 47.8 45.2 65 118 A K H X S+ 0 0 61 -4,-2.7 4,-1.5 1,-0.2 3,-0.3 0.920 109.8 50.8 -55.2 -47.6 10.6 46.4 48.4 66 119 A D H < S+ 0 0 96 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.830 114.6 43.0 -60.6 -33.5 9.8 50.0 49.5 67 120 A V H < S+ 0 0 22 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.705 119.2 41.4 -90.6 -18.1 8.1 50.8 46.2 68 121 A L H < S+ 0 0 0 -4,-1.8 19,-0.2 -3,-0.3 -2,-0.2 0.656 102.1 64.5 -98.4 -19.4 6.2 47.5 45.7 69 122 A Q S < S+ 0 0 77 -4,-1.5 -2,-0.1 -5,-0.2 -3,-0.1 0.634 91.4 62.3 -95.3 -14.3 4.9 46.8 49.2 70 123 A E S S- 0 0 135 -4,-0.3 -1,-0.2 -5,-0.1 13,-0.0 -0.922 77.2-133.8-119.5 107.2 2.5 49.7 49.8 71 124 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.247 21.6-153.5 -46.7 139.2 -0.6 50.2 47.5 72 125 A K > - 0 0 148 1,-0.1 3,-1.7 0, 0.0 8,-0.0 -0.966 16.3-131.1-126.5 146.9 -1.0 53.9 46.4 73 126 A T T 3 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.824 106.2 43.7 -75.0 -32.3 -4.3 55.5 45.5 74 127 A E T 3 S+ 0 0 167 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.145 80.1 139.4 -99.3 19.0 -3.1 57.0 42.2 75 128 A D < - 0 0 21 -3,-1.7 2,-0.1 4,-0.1 0, 0.0 -0.515 51.6-132.6 -53.8 115.4 -1.2 53.9 41.1 76 129 A I >> - 0 0 34 -2,-0.4 4,-2.1 1,-0.1 3,-1.3 -0.380 30.9 -98.2 -65.1 155.8 -1.9 53.4 37.4 77 130 A V H 3> S+ 0 0 66 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.784 122.1 61.5 -53.7 -34.4 -2.8 49.9 36.5 78 131 A A H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.926 110.3 39.9 -60.4 -44.2 0.7 49.1 35.4 79 132 A V H <> S+ 0 0 4 -3,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.876 111.8 58.0 -73.4 -35.1 2.0 49.7 38.9 80 133 A Q H X S+ 0 0 82 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.849 105.3 50.8 -60.2 -33.4 -1.1 48.0 40.4 81 134 A K H X S+ 0 0 23 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.877 109.8 48.8 -79.3 -34.4 -0.3 44.8 38.5 82 135 A A H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.922 112.2 48.8 -65.5 -45.4 3.3 44.7 39.7 83 136 A K H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.902 111.4 49.6 -61.2 -40.0 2.3 45.3 43.3 84 137 A A H X S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.871 111.1 49.6 -69.5 -34.0 -0.3 42.6 43.0 85 138 A L H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.894 111.2 49.5 -72.3 -41.3 2.3 40.2 41.6 86 139 A Y H >X S+ 0 0 3 -4,-2.7 4,-1.8 2,-0.2 3,-0.6 0.963 112.8 46.3 -54.6 -55.1 4.6 41.1 44.4 87 140 A R H 3X S+ 0 0 65 -4,-2.9 4,-0.9 1,-0.3 -2,-0.2 0.827 111.4 53.1 -60.0 -32.1 1.9 40.5 47.0 88 141 A S H 3< S+ 0 0 2 -4,-1.8 365,-0.4 1,-0.2 -1,-0.3 0.820 110.5 48.3 -72.5 -29.1 1.0 37.2 45.3 89 142 A d H << S+ 0 0 11 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.786 111.3 47.0 -84.6 -28.0 4.6 36.1 45.4 90 143 A I H < S+ 0 0 64 -4,-1.8 2,-1.5 1,-0.1 3,-0.2 0.537 84.1 96.9 -97.1 -6.0 5.2 36.9 49.1 91 144 A N X + 0 0 72 -4,-0.9 4,-1.7 -5,-0.2 362,-0.2 -0.639 43.1 166.4 -80.0 86.5 2.1 35.3 50.4 92 145 A E H > + 0 0 62 -2,-1.5 4,-3.8 2,-0.2 5,-0.3 0.806 69.6 65.7 -76.9 -29.8 3.5 31.9 51.4 93 146 A S H > S+ 0 0 92 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.981 106.5 42.4 -46.9 -60.6 0.4 31.0 53.4 94 147 A A H > S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.920 117.4 46.6 -58.2 -45.6 -1.6 30.9 50.2 95 148 A I H >< S+ 0 0 15 -4,-1.7 3,-0.9 1,-0.2 4,-0.4 0.944 112.3 49.1 -62.3 -48.8 1.2 29.1 48.3 96 149 A D H >< S+ 0 0 63 -4,-3.8 3,-1.7 1,-0.3 -1,-0.2 0.904 104.2 61.1 -58.9 -43.4 1.8 26.5 51.0 97 150 A S H 3< S+ 0 0 101 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.852 99.9 56.8 -41.9 -42.0 -1.9 25.8 51.2 98 151 A R T X< S- 0 0 81 -4,-1.0 3,-1.6 -3,-0.9 -1,-0.3 0.507 84.5-168.0 -84.8 -5.5 -1.9 24.7 47.6 99 152 A G T < - 0 0 15 -3,-1.7 231,-1.3 -4,-0.4 -1,-0.2 -0.312 62.1 -42.4 57.6-128.3 0.7 22.0 48.0 100 153 A G T >> S+ 0 0 0 229,-0.2 3,-3.0 1,-0.1 4,-1.8 0.352 105.3 113.9-106.6 2.1 1.9 20.8 44.6 101 154 A E H <> S+ 0 0 81 -3,-1.6 4,-1.6 1,-0.3 -2,-0.1 0.694 70.5 57.2 -62.7 -27.1 -1.6 20.8 43.1 102 155 A P H 34 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.704 109.9 47.2 -71.8 -22.4 -0.8 23.6 40.6 103 156 A L H X> S+ 0 0 0 -3,-3.0 4,-2.0 2,-0.2 3,-0.9 0.884 109.1 53.8 -72.1 -47.6 2.0 21.4 39.3 104 157 A L H 3< S+ 0 0 23 -4,-1.8 -3,-0.2 1,-0.3 -1,-0.1 0.839 108.9 48.8 -57.7 -35.1 -0.2 18.4 39.1 105 158 A K T 3< S+ 0 0 136 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.702 111.1 51.8 -81.1 -18.5 -2.7 20.3 37.0 106 159 A L T X4 S+ 0 0 17 -3,-0.9 3,-2.9 -4,-0.3 4,-0.3 0.886 91.6 74.4 -74.9 -41.5 0.0 21.5 34.7 107 160 A L G ><>S+ 0 0 14 -4,-2.0 5,-2.3 1,-0.3 3,-2.1 0.782 87.0 58.8 -58.3 -40.8 1.6 18.1 34.0 108 161 A P G > 5S+ 0 0 56 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.715 98.8 63.2 -56.1 -20.7 -1.1 16.8 31.6 109 162 A D G < 5S+ 0 0 61 -3,-2.9 -2,-0.2 1,-0.2 -3,-0.1 0.594 105.6 43.4 -83.9 -10.2 -0.4 19.8 29.4 110 163 A I G < 5S- 0 0 1 -3,-2.1 -1,-0.2 -4,-0.3 -3,-0.1 0.067 125.9 -91.7-121.5 21.7 3.1 18.7 28.7 111 164 A Y T < 5S- 0 0 36 -3,-0.8 13,-0.1 2,-0.1 -2,-0.1 0.736 73.3 -87.2 72.7 21.5 2.5 15.0 28.1 112 165 A G < - 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0 0 45 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.426 28.4-116.5 -72.8 149.0 12.2 5.4 24.8 310 363 A A H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.888 123.3 55.5 -38.2 -46.6 9.6 8.0 24.3 311 364 A R H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 107.4 48.4 -57.8 -42.8 9.2 7.4 28.1 312 365 A D H > S+ 0 0 32 2,-0.2 4,-1.3 -3,-0.2 -2,-0.2 0.941 112.4 46.5 -67.1 -50.1 12.9 8.2 28.6 313 366 A L H >X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 3,-0.9 0.944 113.9 47.6 -52.8 -53.2 13.0 11.4 26.5 314 367 A Q H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 5,-0.4 0.810 104.1 61.5 -68.6 -30.1 9.8 12.8 28.1 315 368 A N H 3X S+ 0 0 1 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.3 0.836 113.0 37.6 -61.9 -33.6 11.2 11.9 31.6 316 369 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 3,-0.8 0.891 111.2 58.2 -69.1 -38.8 9.4 17.3 31.8 319 372 A W H 3X S+ 0 0 0 -4,-0.9 4,-2.7 -5,-0.4 -1,-0.2 0.864 100.7 57.1 -54.5 -38.6 12.1 17.2 34.5 320 373 A R H 3X S+ 0 0 17 -4,-2.1 4,-0.5 -3,-0.3 -1,-0.2 0.770 113.4 39.7 -73.3 -24.4 13.9 20.1 33.0 321 374 A F H XX S+ 0 0 3 -4,-0.8 4,-1.1 -3,-0.8 3,-0.7 0.887 113.9 52.0 -80.9 -48.4 10.7 22.2 33.3 322 375 A I H 3X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.3 -2,-0.2 0.840 98.4 69.1 -63.1 -35.5 9.6 20.9 36.7 323 376 A M H >< S+ 0 0 16 -4,-2.7 3,-0.7 -5,-0.2 4,-0.3 0.940 103.2 42.5 -33.6 -62.2 13.1 21.7 38.0 324 377 A D H X< S+ 0 0 83 -3,-0.7 3,-0.6 -4,-0.5 -1,-0.2 0.828 114.0 51.2 -65.1 -32.3 12.3 25.4 37.6 325 378 A L H >< S+ 0 0 8 -4,-1.1 3,-2.6 1,-0.2 -1,-0.2 0.716 85.3 81.4 -82.4 -24.3 8.8 25.3 39.0 326 379 A V G X< S+ 0 0 0 -4,-1.5 3,-1.0 -3,-0.7 -1,-0.2 0.706 85.5 58.0 -72.4 -20.1 9.3 23.4 42.2 327 380 A S G < S+ 0 0 31 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.372 98.0 63.6 -89.7 6.8 10.5 26.4 44.3 328 381 A S G < S+ 0 0 19 -3,-2.6 -1,-0.2 5,-0.0 -2,-0.2 0.209 98.2 71.0-107.5 10.5 7.2 28.2 43.4 329 382 A L S < S- 0 0 3 -3,-1.0 -229,-0.2 1,-0.3 -233,-0.1 -0.292 98.8 -45.4-107.3-162.7 5.3 25.5 45.3 330 383 A S >> - 0 0 12 -231,-1.3 4,-2.1 -235,-0.2 3,-1.2 -0.103 63.7 -95.2 -68.6 167.7 4.8 24.6 49.0 331 384 A R H 3> S+ 0 0 97 1,-0.3 4,-3.9 2,-0.2 5,-0.2 0.852 122.3 58.6 -57.5 -41.1 7.7 24.4 51.4 332 385 A T H 3> S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.847 108.9 45.4 -59.1 -35.7 8.1 20.6 51.0 333 386 A Y H <4 S+ 0 0 5 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.881 113.4 49.9 -73.2 -38.0 8.7 21.1 47.2 334 387 A K H >< S+ 0 0 12 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.927 108.0 54.7 -60.5 -47.1 11.0 24.0 48.0 335 388 A E H >< S+ 0 0 104 -4,-3.9 3,-2.2 1,-0.3 4,-0.3 0.807 93.5 70.4 -50.8 -35.8 12.9 21.8 50.5 336 389 A S T 3< S+ 0 0 19 -4,-0.9 -1,-0.3 1,-0.3 4,-0.2 0.602 95.2 55.1 -67.8 -7.1 13.4 19.2 47.8 337 390 A R T <> S+ 0 0 57 -3,-1.8 4,-2.0 -4,-0.2 -1,-0.3 0.433 77.5 103.4-103.3 -2.2 15.9 21.5 46.1 338 391 A N H <> S+ 0 0 70 -3,-2.2 4,-1.9 1,-0.2 5,-0.2 0.894 82.2 37.9 -56.9 -57.2 18.2 22.1 49.1 339 392 A A H > S+ 0 0 50 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.906 111.7 60.1 -69.0 -39.3 21.2 19.9 48.4 340 393 A F H > S+ 0 0 5 -150,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.943 110.5 39.4 -48.9 -56.8 21.2 20.6 44.6 341 394 A R H X>S+ 0 0 15 -4,-2.0 4,-3.3 1,-0.2 5,-0.8 0.843 112.2 57.1 -72.8 -29.5 21.7 24.4 45.1 342 395 A K H X5S+ 0 0 111 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.911 109.6 47.4 -59.1 -41.9 24.1 23.8 47.9 343 396 A A H <5S+ 0 0 13 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.889 122.4 33.1 -67.1 -40.3 26.1 21.8 45.4 344 397 A L H <5S+ 0 0 6 -4,-2.1 -2,-0.2 -5,-0.2 307,-0.2 0.798 138.5 17.0 -83.0 -30.0 25.9 24.4 42.7 345 398 A Y H <5S- 0 0 82 -4,-3.3 303,-0.3 -5,-0.2 -3,-0.2 0.577 87.3-129.4-126.9 -22.1 25.9 27.6 44.8 346 399 A G << + 0 0 3 -4,-1.3 -4,-0.2 -5,-0.8 2,-0.2 0.396 59.1 140.6 85.5 -4.1 27.2 26.7 48.2 347 400 A T - 0 0 10 -6,-0.6 -1,-0.3 -301,-0.1 -301,-0.2 -0.487 41.3-162.5 -81.1 144.1 24.2 28.4 49.9 348 401 A T S S+ 0 0 60 -303,-1.8 2,-0.3 -2,-0.2 -302,-0.2 0.468 75.0 27.0-101.1 -6.0 22.6 26.7 52.9 349 402 A S S S- 0 0 59 -304,-1.1 2,-0.2 -7,-0.0 -1,-0.1 -0.971 83.1-101.7-150.4 158.0 19.4 28.7 52.7 350 403 A E - 0 0 46 -2,-0.3 3,-0.1 1,-0.1 -304,-0.1 -0.620 46.1 -98.2 -80.0 146.8 17.2 30.6 50.2 351 404 A T - 0 0 41 -2,-0.2 5,-0.1 -305,-0.2 -1,-0.1 -0.213 60.7 -71.5 -50.4 149.1 17.3 34.3 49.9 352 405 A A > - 0 0 43 1,-0.1 4,-2.3 3,-0.1 3,-0.5 -0.139 43.9-123.5 -49.5 142.8 14.5 36.2 51.7 353 406 A T H > S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.903 110.2 54.0 -60.4 -44.1 11.2 35.7 50.0 354 407 A W H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.838 109.4 50.0 -61.2 -31.6 10.6 39.4 49.6 355 408 A R H > S+ 0 0 57 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.935 110.0 48.2 -73.3 -48.5 13.9 39.7 47.8 356 409 A R H X S+ 0 0 53 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.892 116.6 46.4 -50.1 -42.3 13.2 36.8 45.4 357 410 A d H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.941 109.0 50.6 -78.0 -49.0 9.9 38.4 44.7 358 411 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.958 114.1 48.6 -44.4 -53.7 11.0 41.9 44.2 359 412 A N H X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.853 109.6 51.1 -60.0 -40.9 13.6 40.5 41.8 360 413 A Y H X S+ 0 0 54 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.937 111.8 45.3 -64.4 -47.1 11.0 38.4 40.0 361 414 A V H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.6 0.934 111.5 54.6 -63.3 -44.5 8.6 41.3 39.4 362 415 A N H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.902 109.5 47.8 -48.2 -45.2 11.6 43.4 38.3 363 416 A G H 3< S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.722 119.4 37.3 -76.1 -21.4 12.5 40.8 35.7 364 417 A N H << S+ 0 0 56 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.588 129.9 29.2-106.8 -14.2 9.0 40.4 34.4 365 418 A M S X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 -0.403 72.1 154.9-138.5 59.0 7.9 44.1 34.6 366 419 A E H > S+ 0 0 71 1,-0.2 4,-1.9 -3,-0.2 119,-0.5 0.790 74.1 46.3 -69.5 -30.7 11.2 45.9 34.2 367 420 A N H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 112.8 48.8 -77.1 -43.0 9.7 49.1 32.8 368 421 A A H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.925 118.6 41.2 -57.4 -43.9 7.0 49.3 35.4 369 422 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.810 109.5 57.3 -80.2 -30.6 9.6 48.7 38.1 370 423 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.841 104.6 53.8 -66.3 -33.4 12.2 50.9 36.6 371 424 A R H X S+ 0 0 28 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.953 111.8 43.4 -65.9 -48.9 9.8 53.8 36.7 372 425 A L H X S+ 0 0 19 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.898 114.5 51.9 -60.6 -41.7 9.2 53.3 40.4 373 426 A Y H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.935 110.9 44.7 -62.1 -46.2 12.9 52.8 41.1 374 427 A V H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 111.4 52.4 -74.5 -36.9 14.0 55.9 39.4 375 428 A E H < S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.850 120.0 36.9 -63.6 -33.0 11.4 58.1 41.0 376 429 A A H < S+ 0 0 64 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.860 136.2 12.4 -77.0 -35.7 12.4 56.7 44.3 377 430 A A H < S+ 0 0 48 -4,-2.3 2,-0.3 -5,-0.2 -3,-0.2 0.516 99.1 84.4-135.3 -18.7 16.1 56.5 43.9 378 431 A F < - 0 0 29 -4,-2.0 129,-0.1 -5,-0.3 126,-0.0 -0.845 56.7-143.4-121.0 147.8 17.6 58.2 40.9 379 432 A A - 0 0 82 -2,-0.3 -1,-0.1 1,-0.1 2,-0.0 0.889 16.2-143.1 -88.7 -47.5 18.7 61.8 40.5 380 433 A G S S+ 0 0 24 0, 0.0 4,-0.5 0, 0.0 3,-0.4 -0.305 92.2 63.9 115.3 -48.8 17.9 63.0 37.0 381 434 A E S > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.625 86.4 78.5 -81.1 -15.0 20.9 65.3 36.3 382 435 A S H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.920 86.4 59.8 -47.3 -46.6 22.9 62.1 36.6 383 436 A K H > S+ 0 0 42 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.912 104.1 48.6 -54.2 -45.1 21.8 61.4 33.1 384 437 A H H > S+ 0 0 100 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.866 110.7 49.0 -66.9 -38.6 23.3 64.6 31.8 385 438 A V H X S+ 0 0 63 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.900 111.4 48.8 -70.4 -40.5 26.7 64.1 33.4 386 439 A V H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.895 105.5 58.7 -66.2 -39.6 27.1 60.5 32.2 387 440 A E H X S+ 0 0 66 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.930 109.4 43.9 -52.6 -47.3 26.2 61.5 28.6 388 441 A D H X S+ 0 0 94 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.920 112.3 52.7 -70.3 -42.0 29.1 63.9 28.5 389 442 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.929 109.5 49.7 -49.1 -49.9 31.3 61.3 30.2 390 443 A I H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.887 108.5 52.6 -63.0 -39.9 30.3 58.9 27.5 391 444 A A H X S+ 0 0 48 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.901 109.8 50.3 -60.4 -40.2 31.1 61.4 24.8 392 445 A Q H X S+ 0 0 55 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.940 112.4 43.7 -63.4 -48.8 34.5 61.9 26.3 393 446 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.828 110.9 55.5 -72.7 -30.7 35.4 58.2 26.5 394 447 A R H X S+ 0 0 32 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.921 108.4 49.1 -63.1 -43.7 34.0 57.6 23.0 395 448 A E H X S+ 0 0 81 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.930 107.8 53.8 -60.8 -46.5 36.4 60.3 21.7 396 449 A V H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.839 106.8 52.3 -59.4 -35.7 39.3 58.8 23.5 397 450 A F H X S+ 0 0 3 -4,-1.7 4,-1.3 2,-0.2 3,-0.3 0.974 112.2 45.1 -63.2 -54.0 38.6 55.5 21.8 398 451 A I H >< S+ 0 0 11 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.942 115.1 47.0 -50.8 -53.4 38.6 57.1 18.4 399 452 A Q H >< S+ 0 0 99 -4,-3.1 3,-0.7 1,-0.3 4,-0.3 0.783 107.4 58.9 -65.8 -26.5 41.7 59.1 19.1 400 453 A T H >X S+ 0 0 8 -4,-1.6 3,-1.8 -5,-0.3 4,-0.7 0.789 86.6 74.9 -71.8 -30.4 43.4 56.0 20.5 401 454 A L G X< S+ 0 0 2 -4,-1.3 3,-0.9 -3,-0.9 -1,-0.2 0.825 88.6 63.0 -51.0 -30.0 43.0 54.2 17.2 402 455 A D G <4 S+ 0 0 119 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.797 102.2 47.4 -71.2 -29.0 45.8 56.4 15.9 403 456 A D G <4 S+ 0 0 124 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.3 0.518 85.1 104.7 -89.2 -7.9 48.4 55.0 18.3 404 457 A L X< - 0 0 5 -3,-0.9 3,-0.7 -4,-0.7 8,-0.1 -0.665 48.8-173.4 -81.3 113.6 47.5 51.4 17.7 405 458 A T T 3 S+ 0 0 136 -2,-0.7 -1,-0.2 1,-0.2 -3,-0.0 0.486 72.2 70.0 -86.8 -3.3 50.3 50.0 15.6 406 459 A W T 3 S+ 0 0 17 289,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.304 90.3 67.1-103.1 8.5 48.7 46.6 14.9 407 460 A M S < S- 0 0 16 -3,-0.7 2,-0.2 -6,-0.2 151,-0.0 -0.819 76.0-124.2-116.6 164.6 45.9 47.8 12.6 408 461 A D > - 0 0 35 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.696 30.1-106.0-104.1 165.0 45.9 49.3 9.1 409 462 A A H > S+ 0 0 74 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.861 117.4 52.3 -59.3 -43.3 44.4 52.7 8.1 410 463 A E H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 114.2 43.7 -59.9 -43.9 41.4 51.2 6.3 411 464 A T H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.916 111.5 53.0 -70.3 -43.4 40.5 49.1 9.3 412 465 A K H X S+ 0 0 35 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.922 109.3 49.6 -53.0 -46.7 41.1 51.9 11.8 413 466 A K H X S+ 0 0 133 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.843 109.6 50.2 -69.6 -32.9 38.8 54.2 9.9 414 467 A R H X S+ 0 0 136 -4,-1.5 4,-1.3 2,-0.2 -1,-0.3 0.853 110.0 52.4 -71.7 -31.7 36.1 51.6 9.7 415 468 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.923 106.9 52.1 -67.0 -46.5 36.5 51.2 13.5 416 469 A E H X S+ 0 0 78 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.951 105.3 56.3 -46.7 -52.2 36.1 54.9 13.8 417 470 A E H X S+ 0 0 80 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.862 108.5 47.6 -52.6 -37.6 32.9 54.6 11.9 418 471 A K H >X S+ 0 0 3 -4,-1.3 4,-0.6 -3,-0.3 3,-0.5 0.937 107.9 53.1 -75.0 -49.2 31.6 52.1 14.4 419 472 A A H >< S+ 0 0 0 -4,-2.3 3,-3.0 1,-0.2 -2,-0.2 0.966 108.9 49.0 -41.4 -66.1 32.5 54.1 17.5 420 473 A L H 3< S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 110.0 55.1 -50.7 -27.9 30.6 57.1 16.3 421 474 A A H << S+ 0 0 34 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.501 77.6 118.4 -89.4 -5.5 27.7 54.9 15.5 422 475 A I << - 0 0 5 -3,-3.0 2,-0.6 -4,-0.6 76,-0.2 -0.424 59.5-139.8 -62.4 132.5 27.4 53.4 19.0 423 476 A K E -f 498 0D 101 74,-2.4 76,-2.2 73,-0.2 2,-0.4 -0.860 14.9-152.2-100.6 120.4 24.0 54.2 20.5 424 477 A E E -f 499 0D 67 -2,-0.6 2,-0.4 74,-0.2 76,-0.2 -0.731 9.1-166.9 -98.6 136.9 24.1 55.1 24.2 425 478 A R E -f 500 0D 32 74,-2.3 76,-2.7 -2,-0.4 2,-0.5 -0.990 12.3-164.7-123.2 125.3 21.2 54.6 26.6 426 479 A I E -f 501 0D 6 -2,-0.4 2,-2.0 2,-0.2 77,-0.1 -0.941 51.6 -36.5-124.9 121.0 21.4 56.3 30.0 427 480 A G E S-f 502 0D 0 74,-3.0 76,-2.1 -2,-0.5 77,-0.3 -0.472 111.8 -29.6 82.4 -78.7 19.5 55.8 33.2 428 481 A Y - 0 0 39 -2,-2.0 2,-0.5 74,-0.2 -2,-0.2 -0.976 67.8 -86.5-162.5 165.1 16.1 55.0 31.9 429 482 A P > - 0 0 24 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.736 33.5-137.5 -81.6 126.3 13.7 55.7 29.0 430 483 A D T >> S+ 0 0 86 -2,-0.5 4,-2.2 1,-0.3 3,-1.7 0.796 97.2 71.4 -52.9 -31.6 11.8 58.9 29.6 431 484 A D H 3> S+ 0 0 65 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.812 83.1 64.9 -57.0 -36.5 8.7 57.1 28.4 432 485 A I H <4 S+ 0 0 9 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.698 115.8 32.4 -70.0 -13.1 8.2 54.8 31.3 433 486 A V H <4 S+ 0 0 40 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.784 125.7 38.5 -99.2 -42.3 7.6 57.9 33.4 434 487 A S H < S+ 0 0 83 -4,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.441 109.4 58.6-101.5 -1.1 5.9 60.3 31.0 435 488 A N X + 0 0 58 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 -0.686 49.8 168.3-132.7 82.8 3.7 57.9 29.0 436 489 A D H > S+ 0 0 65 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.939 79.0 57.2 -58.7 -49.4 1.2 56.0 31.2 437 490 A N H > S+ 0 0 117 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.907 109.0 45.9 -48.7 -51.3 -0.8 54.7 28.3 438 491 A K H > S+ 0 0 112 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.878 114.2 49.5 -57.4 -39.1 2.3 53.1 26.8 439 492 A L H >X S+ 0 0 5 -4,-1.8 3,-0.6 -3,-0.3 4,-0.5 0.953 112.3 45.6 -71.6 -50.0 3.2 51.6 30.1 440 493 A N H >< S+ 0 0 34 -4,-3.2 3,-1.2 1,-0.2 4,-0.5 0.866 109.8 57.2 -54.5 -38.6 -0.2 50.2 30.9 441 494 A N H 3< S+ 0 0 100 -4,-2.1 4,-0.4 -5,-0.3 3,-0.3 0.772 94.0 63.6 -76.5 -23.9 -0.4 48.8 27.4 442 495 A E H << S+ 0 0 69 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.727 118.1 29.9 -67.8 -19.4 2.8 46.7 27.6 443 496 A Y S X< S+ 0 0 6 -3,-1.2 3,-2.5 -4,-0.5 -1,-0.2 0.315 87.4 112.8-118.9 2.9 1.0 44.7 30.4 444 497 A L T 3 S+ 0 0 110 -4,-0.5 -2,-0.1 -3,-0.3 -3,-0.1 0.829 76.3 52.1 -41.0 -44.0 -2.6 45.1 29.2 445 498 A E T 3 S+ 0 0 165 -4,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.454 96.2 82.5 -90.0 -0.1 -2.9 41.5 28.4 446 499 A L < + 0 0 4 -3,-2.5 2,-0.3 2,-0.0 -3,-0.0 -0.806 50.0 178.3-102.6 145.5 -1.8 40.3 31.8 447 500 A N - 0 0 115 -2,-0.3 2,-0.3 9,-0.1 12,-0.1 -0.899 13.4-155.6-148.5 117.4 -4.0 40.0 34.8 448 501 A Y - 0 0 18 -2,-0.3 2,-0.4 11,-0.0 5,-0.1 -0.692 6.7-146.5-102.1 142.6 -2.7 38.7 38.1 449 502 A K > - 0 0 93 3,-0.3 3,-1.7 -2,-0.3 7,-0.2 -0.919 13.8-140.4-107.3 135.4 -4.6 37.1 41.0 450 503 A E T 3 S+ 0 0 93 -2,-0.4 3,-0.2 1,-0.3 -359,-0.2 0.629 101.8 43.6 -75.9 -13.0 -3.2 37.8 44.5 451 504 A D T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -357,-0.1 3,-0.1 0.127 105.1 69.7-110.1 21.6 -3.9 34.2 45.8 452 505 A E <> + 0 0 24 -3,-1.7 4,-2.1 1,-0.1 -3,-0.3 -0.369 47.0 152.1-140.5 51.3 -2.5 32.6 42.7 453 506 A Y H > S+ 0 0 25 -365,-0.4 4,-2.6 1,-0.2 5,-0.2 0.903 76.5 51.6 -57.0 -45.2 1.2 33.0 42.4 454 507 A F H > S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.920 110.8 47.3 -63.0 -44.3 1.8 29.9 40.4 455 508 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.850 110.5 54.6 -63.7 -33.9 -0.8 30.7 37.8 456 509 A N H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.935 109.4 46.2 -62.5 -46.0 0.7 34.2 37.6 457 510 A I H X S+ 0 0 10 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.899 113.0 49.5 -65.9 -40.8 4.1 32.8 36.9 458 511 A I H X S+ 0 0 15 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.931 107.7 54.4 -63.2 -44.1 2.7 30.4 34.3 459 512 A Q H X S+ 0 0 51 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.905 108.6 49.6 -56.7 -42.3 0.8 33.3 32.7 460 513 A N H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.891 108.1 52.7 -64.7 -40.2 4.1 35.2 32.4 461 514 A L H X S+ 0 0 65 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.959 114.6 41.6 -59.9 -49.3 5.9 32.2 30.8 462 515 A K H X S+ 0 0 72 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.942 115.9 49.6 -66.0 -45.6 3.2 31.9 28.1 463 516 A F H X S+ 0 0 48 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.953 112.0 47.4 -55.9 -52.7 2.9 35.6 27.6 464 517 A S H X S+ 0 0 61 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.893 115.4 45.5 -59.0 -41.4 6.6 36.1 27.2 465 518 A Q H X S+ 0 0 20 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.941 111.9 49.9 -71.3 -46.7 6.9 33.2 24.8 466 519 A S H X S+ 0 0 39 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.897 112.5 49.9 -54.7 -42.0 3.9 34.2 22.7 467 520 A K H < S+ 0 0 100 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.921 110.6 48.4 -65.0 -45.3 5.3 37.7 22.4 468 521 A Q H >< S+ 0 0 59 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.921 111.8 49.1 -62.0 -44.6 8.8 36.5 21.4 469 522 A L H >< S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.796 99.2 68.1 -67.2 -26.7 7.4 34.2 18.7 470 523 A K T 3< S+ 0 0 117 -4,-1.3 3,-0.4 1,-0.3 -1,-0.3 0.631 86.5 72.1 -69.8 -11.4 5.2 37.0 17.4 471 524 A K T X + 0 0 40 -3,-1.5 3,-2.0 -4,-0.3 -310,-0.3 0.650 62.8 102.4 -80.4 -18.0 8.3 38.8 16.2 472 525 A L T < S+ 0 0 5 -3,-1.4 -311,-0.7 1,-0.3 -1,-0.2 0.805 96.1 23.2 -39.8 -53.5 9.2 36.5 13.2 473 526 A R T 3 S+ 0 0 134 -3,-0.4 -1,-0.3 -313,-0.1 2,-0.2 0.444 108.3 92.4 -98.3 -0.4 7.9 38.8 10.5 474 527 A E S < S- 0 0 125 -3,-2.0 -313,-0.4 -4,-0.2 2,-0.2 -0.508 80.3-103.9 -92.6 160.6 8.0 42.1 12.4 475 528 A K - 0 0 164 -2,-0.2 2,-0.3 -315,-0.1 -315,-0.2 -0.511 39.8 -99.8 -78.0 151.4 10.9 44.5 12.4 476 529 A V - 0 0 15 -317,-2.2 2,-0.6 -2,-0.2 -1,-0.1 -0.560 40.6-114.6 -64.4 130.8 13.3 44.8 15.3 477 530 A D > - 0 0 84 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 -0.622 22.7-162.7 -72.8 115.7 12.3 47.8 17.5 478 531 A K T 3 S+ 0 0 156 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.553 87.6 57.6 -79.0 -6.6 15.2 50.3 17.4 479 532 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.550 77.7 115.2 -97.5 -11.5 13.9 52.0 20.5 480 533 A E < - 0 0 89 -3,-1.0 2,-0.3 1,-0.1 -4,-0.0 -0.363 60.3-137.7 -64.7 135.2 13.9 49.0 22.8 481 534 A W - 0 0 40 1,-0.1 -2,-0.1 -2,-0.1 -1,-0.1 -0.718 5.4-141.4 -87.0 148.7 16.3 49.2 25.7 482 535 A I S S+ 0 0 54 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.412 81.7 39.1 -96.0 -0.5 18.3 46.0 26.5 483 536 A S S S- 0 0 8 8,-0.1 -1,-0.1 4,-0.0 18,-0.1 -0.986 79.9-118.3-143.2 141.4 18.1 46.4 30.2 484 537 A G - 0 0 3 -2,-0.3 3,-0.3 1,-0.1 -117,-0.1 -0.220 33.1-120.2 -51.4 163.1 15.5 47.6 32.7 485 538 A A S S+ 0 0 3 -119,-0.5 19,-1.5 1,-0.2 2,-0.6 0.604 103.3 74.3 -87.1 -15.0 16.6 50.6 34.7 486 539 A A S S+ 0 0 1 -120,-0.3 2,-0.4 17,-0.1 -1,-0.2 -0.204 78.0 108.5 -95.2 44.5 16.5 48.9 38.1 487 540 A V - 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0 0 66 -2,-0.4 4,-2.1 51,-0.2 5,-0.2 -0.388 38.1 -97.1 -88.0 178.0 47.2 61.2 44.9 628 681 A H H > S+ 0 0 1 1,-0.3 4,-2.3 2,-0.3 5,-0.1 0.750 122.5 58.5 -77.3 -25.2 44.4 61.1 42.4 629 682 A K H > S+ 0 0 43 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.947 111.3 45.5 -57.7 -46.7 46.2 58.9 39.9 630 683 A Q H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -2,-0.3 0.898 111.6 50.0 -65.2 -42.3 46.5 56.4 42.7 631 684 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.852 101.6 64.3 -67.6 -34.8 42.8 56.9 43.7 632 685 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.945 111.7 35.2 -49.7 -52.0 41.8 56.3 40.1 633 686 A F H X S+ 0 0 1 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.851 112.8 60.1 -75.3 -36.6 43.1 52.8 40.3 634 687 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.950 109.8 42.2 -50.6 -52.4 42.1 52.2 43.9 635 688 A N H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.914 110.4 55.8 -70.6 -43.0 38.4 52.8 43.0 636 689 A F H < S+ 0 0 0 -4,-1.9 3,-0.4 -5,-0.3 4,-0.2 0.942 112.9 44.9 -40.3 -53.6 38.7 50.7 39.9 637 690 A A H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.833 106.9 56.4 -65.0 -36.9 40.0 48.0 42.2 638 691 A Q H >< S+ 0 0 1 -4,-1.9 3,-1.6 1,-0.3 -586,-0.3 0.737 88.4 75.3 -83.1 -19.3 37.4 48.4 44.9 639 692 A V T 3< S+ 0 0 1 -4,-1.7 -586,-0.4 -3,-0.4 -1,-0.3 0.769 103.0 44.7 -45.3 -27.9 34.5 47.9 42.4 640 693 A W T < S+ 0 0 41 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.181 74.6 136.0-118.6 16.3 35.6 44.3 42.7 641 694 A c < + 0 0 4 -3,-1.6 -589,-2.1 -608,-0.1 -588,-0.3 -0.500 43.0 84.7 -64.8 128.8 36.1 43.6 46.4 642 695 A G E -B 51 0B 14 -591,-0.3 2,-0.3 -2,-0.3 -591,-0.3 -0.953 55.1-132.0 160.5 179.5 34.6 40.3 47.2 643 696 A T E -B 50 0B 44 -593,-2.1 -593,-2.0 -2,-0.3 2,-0.3 -0.938 15.3-123.0-159.7 174.5 35.0 36.6 47.3 644 697 A Y E -B 49 0B 20 -2,-0.3 -595,-0.2 -595,-0.2 -601,-0.1 -0.876 20.9-113.4-128.4 148.3 33.3 33.3 46.3 645 698 A R > - 0 0 39 -597,-2.4 4,-2.6 -2,-0.3 3,-0.3 -0.658 36.5-119.2 -71.6 141.7 32.1 30.1 47.8 646 699 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.893 112.7 53.0 -47.8 -48.3 34.1 27.2 46.6 647 700 A E H > S+ 0 0 73 1,-0.2 4,-0.6 2,-0.2 -301,-0.2 0.908 113.3 43.1 -60.8 -41.4 31.1 25.4 45.1 648 701 A Y H > S+ 0 0 42 -303,-0.3 4,-2.9 -3,-0.3 -1,-0.2 0.826 108.0 58.6 -75.9 -32.3 30.2 28.6 43.1 649 702 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -70,-0.2 -1,-0.2 0.879 104.8 51.6 -58.8 -40.2 33.8 29.2 42.1 650 703 A V H < S+ 0 0 15 -4,-2.1 4,-0.3 -71,-0.3 -1,-0.2 0.740 113.0 48.8 -65.7 -25.5 33.7 25.8 40.5 651 704 A N H >X S+ 0 0 6 -4,-0.6 4,-1.7 -5,-0.2 3,-0.8 0.941 113.2 40.7 -77.5 -52.5 30.6 26.9 38.8 652 705 A S H 3X S+ 0 0 3 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.788 100.4 68.5 -82.1 -29.3 31.6 30.3 37.4 653 706 A I H 3< S+ 0 0 10 -4,-1.9 -67,-0.5 -5,-0.2 -1,-0.3 0.826 117.4 30.7 -50.3 -31.1 35.1 29.3 36.2 654 707 A K H <4 S+ 0 0 41 -3,-0.8 -2,-0.3 -4,-0.3 -1,-0.2 0.758 132.0 31.2 -95.6 -32.0 33.1 27.3 33.7 655 708 A T H < S+ 0 0 59 -4,-1.7 2,-0.5 -481,-0.1 -3,-0.2 0.582 96.6 84.8-113.0 -14.9 29.9 29.4 33.3 656 709 A D < - 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0 0 13 -3,-1.7 4,-1.3 15,-0.2 3,-0.3 -0.796 45.0-178.8-104.4 106.9 48.8 48.8 32.8 673 726 A A H > S+ 0 0 53 -2,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.898 88.7 60.5 -61.4 -39.0 52.1 50.8 32.5 674 727 A E H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.812 101.7 53.4 -63.3 -32.3 50.2 53.7 33.9 675 728 A F H > S+ 0 0 0 -3,-0.3 4,-1.7 -6,-0.2 -1,-0.2 0.906 106.3 49.1 -67.0 -45.6 49.4 51.7 37.1 676 729 A S H <>S+ 0 0 8 -4,-1.3 5,-2.6 -7,-0.2 4,-0.4 0.802 111.0 53.8 -70.1 -25.6 53.1 50.8 37.9 677 730 A E H ><5S+ 0 0 115 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.970 106.9 49.2 -64.8 -56.3 53.9 54.5 37.3 678 731 A A H 3<5S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.830 122.8 33.8 -52.1 -35.6 51.3 55.7 39.9 679 732 A F T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.302 106.3-121.2-112.8 10.1 52.6 53.2 42.4 680 733 A H T < 5 - 0 0 145 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.2 0.923 41.7-172.1 57.8 51.8 56.3 53.2 41.6 681 734 A b < - 0 0 15 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.663 19.8-127.2 -87.4 125.3 56.4 49.4 40.8 682 735 A R > - 0 0 221 -2,-0.5 3,-2.2 1,-0.1 6,-0.2 -0.393 42.3 -86.1 -59.4 138.7 59.8 47.8 40.2 683 736 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.092 114.1 13.0 -33.0 139.0 60.0 45.7 37.0 684 737 A N T 3 S+ 0 0 114 4,-2.7 -1,-0.3 1,-0.2 2,-0.2 0.625 84.5 145.0 51.8 15.3 58.8 42.2 37.4 685 738 A S S X S- 0 0 25 -3,-2.2 3,-3.1 3,-0.4 -1,-0.2 -0.570 73.5 -99.0 -53.4 145.4 57.3 43.0 40.7 686 739 A Y T 3 S+ 0 0 116 1,-0.3 -659,-0.2 -2,-0.2 -2,-0.1 0.809 126.4 44.5 -53.5 -36.6 54.2 40.8 40.5 687 740 A M T 3 S+ 0 0 0 -661,-1.9 -1,-0.3 1,-0.2 -15,-0.2 0.512 113.7 54.8 -83.9 -5.2 52.0 43.7 39.4 688 741 A N < + 0 0 22 -3,-3.1 -4,-2.7 -662,-0.3 -3,-0.4 -0.554 68.4 174.7-134.2 68.5 54.6 44.9 36.9 689 742 A P - 0 0 30 0, 0.0 -3,-0.0 0, 0.0 -6,-0.0 -0.497 36.3-129.0 -67.3 140.5 55.6 42.1 34.5 690 743 A E S S+ 0 0 151 -2,-0.2 2,-0.6 1,-0.1 -7,-0.0 0.907 97.2 66.4 -55.3 -45.1 57.9 43.1 31.6 691 744 A K S S- 0 0 141 -3,-0.0 2,-0.4 -7,-0.0 -1,-0.1 -0.718 71.6-177.6 -86.1 120.4 55.5 41.5 29.1 692 745 A K - 0 0 60 -2,-0.6 2,-0.2 -21,-0.1 -21,-0.1 -0.961 21.0-131.4-124.9 133.4 52.2 43.4 28.9 693 746 A f + 0 0 9 -2,-0.4 2,-0.3 -126,-0.1 -128,-0.1 -0.587 30.6 169.0 -80.4 141.2 49.1 42.5 26.9 694 747 A R + 0 0 102 -130,-0.3 -127,-0.1 -2,-0.2 -99,-0.0 -0.942 20.9 144.0-148.4 133.1 47.4 45.2 24.8 695 748 A V 0 0 0 -2,-0.3 -289,-0.2 -100,-0.1 -130,-0.0 0.412 360.0 360.0-116.3 -72.4 44.8 45.2 22.2 696 749 A W 0 0 9 -101,-0.2 -97,-0.1 -292,-0.0 -100,-0.0 0.764 360.0 360.0 -90.1 360.0 42.7 48.4 22.6