==== 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 13-DEC-04 1Y8J . COMPND 2 MOLECULE: NEPRILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SAHLI,B.FRANK,W.B.SCHWEIZER,F.DIEDERICH,D.BLUM-KAELIN,J.D. . 696 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 70.8 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 . 33 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 43.4 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 2 2 1 1 2 3 4 2 1 0 0 3 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 88 0, 0.0 619,-1.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 55.7 -39.9 74.2 31.3 2 55 A I B -a 620 0A 66 617,-0.2 2,-0.2 2,-0.0 619,-0.2 -0.742 360.0-122.7 -73.5 124.5 -38.4 71.0 32.5 3 56 A a - 0 0 26 617,-2.4 -1,-0.0 -2,-0.5 615,-0.0 -0.482 28.8-178.3 -52.3 130.8 -40.1 67.7 31.5 4 57 A K + 0 0 164 -2,-0.2 -1,-0.1 617,-0.1 2,-0.1 -0.028 28.7 135.6-131.4 32.2 -41.0 65.8 34.7 5 58 A S > - 0 0 45 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.337 68.0-110.5 -70.9 159.3 -42.5 62.6 33.3 6 59 A S H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 123.2 46.9 -46.6 -53.8 -41.8 59.1 34.6 7 60 A D H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 111.0 51.9 -68.2 -31.7 -39.9 58.4 31.4 8 61 A a H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 108.0 51.9 -68.3 -39.5 -38.1 61.7 31.6 9 62 A I H X S+ 0 0 83 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.909 111.2 47.4 -62.7 -40.7 -37.1 60.9 35.2 10 63 A K H X S+ 0 0 143 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.958 112.9 48.5 -64.9 -51.4 -35.7 57.5 34.1 11 64 A S H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.948 112.7 46.5 -50.2 -58.2 -33.8 59.0 31.1 12 65 A A H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.891 110.3 53.1 -57.0 -43.5 -32.2 61.8 33.1 13 66 A A H X S+ 0 0 31 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.885 110.2 47.7 -63.7 -41.3 -31.1 59.5 35.9 14 67 A R H X S+ 0 0 52 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.926 112.8 48.2 -63.2 -45.9 -29.4 57.2 33.5 15 68 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.919 114.9 46.9 -60.9 -43.0 -27.6 60.0 31.8 16 69 A I H < S+ 0 0 70 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 110.3 49.6 -62.6 -50.3 -26.6 61.5 35.1 17 70 A Q H < S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.2 47.7 -66.9 -30.1 -25.3 58.3 36.7 18 71 A N H < S+ 0 0 14 -4,-1.7 19,-1.9 -5,-0.2 18,-1.7 0.860 100.6 77.5 -76.8 -35.3 -23.2 57.5 33.6 19 72 A M < - 0 0 23 -4,-1.5 2,-0.5 16,-0.2 14,-0.3 -0.320 63.8-147.6 -85.8 154.3 -21.5 60.8 33.1 20 73 A D > - 0 0 46 12,-3.3 3,-2.2 11,-0.4 14,-0.1 -0.843 13.0-177.8-116.7 95.7 -18.6 62.5 35.0 21 74 A A T 3 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.3 11,-0.1 0.534 74.8 80.0 -75.2 -2.8 -19.3 66.2 34.9 22 75 A T T 3 S+ 0 0 131 10,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.659 84.6 78.3 -67.8 -18.2 -16.0 66.7 36.7 23 76 A T S < S- 0 0 20 -3,-2.2 -3,-0.1 9,-0.1 12,-0.0 -0.806 89.4-116.9-102.6 133.6 -14.4 66.2 33.3 24 77 A E >> - 0 0 99 -2,-0.4 4,-2.2 1,-0.2 3,-2.0 -0.539 18.5-144.5 -64.2 111.9 -14.2 68.9 30.5 25 78 A P T 34 S+ 0 0 16 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.737 100.7 53.6 -46.1 -27.7 -16.2 67.6 27.6 26 79 A b T 34 S+ 0 0 6 2,-0.2 661,-2.2 653,-0.1 662,-0.3 0.653 108.3 48.2 -91.8 -16.7 -13.7 69.2 25.3 27 80 A T T <4 S- 0 0 89 -3,-2.0 2,-0.2 659,-0.2 -1,-0.1 0.882 138.1 -9.2 -83.5 -49.5 -10.7 67.6 26.9 28 81 A D X - 0 0 42 -4,-2.2 4,-2.5 1,-0.1 3,-0.4 -0.578 59.8-176.8-154.1 91.3 -12.1 64.0 26.9 29 82 A F H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.3 5,-0.2 0.733 86.3 56.4 -70.1 -25.4 -15.7 63.5 26.0 30 83 A F H > S+ 0 0 24 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.930 110.6 45.5 -64.5 -46.4 -15.7 59.7 26.6 31 84 A K H > S+ 0 0 115 -3,-0.4 4,-2.1 1,-0.2 -11,-0.4 0.947 116.4 47.1 -56.7 -49.8 -14.5 60.4 30.2 32 85 A Y H < S+ 0 0 16 -4,-2.5 -12,-3.3 1,-0.2 4,-0.2 0.924 119.5 37.3 -58.3 -48.1 -17.1 63.1 30.5 33 86 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 -14,-0.3 -2,-0.2 0.723 134.0 23.4 -81.4 -20.8 -20.0 61.1 29.1 34 87 A c H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 3,-0.4 0.377 84.5 109.2-128.2 1.8 -18.9 57.8 30.7 35 88 A G H X S+ 0 0 13 -4,-2.1 4,-1.6 1,-0.3 -16,-0.2 0.802 81.9 48.2 -62.6 -35.8 -16.8 58.6 33.7 36 89 A G H > S+ 0 0 10 -18,-1.7 4,-1.7 -4,-0.2 -1,-0.3 0.838 109.6 52.3 -78.2 -33.7 -19.4 57.5 36.3 37 90 A W H > S+ 0 0 8 -19,-1.9 4,-1.8 -3,-0.4 -2,-0.2 0.934 108.4 52.8 -59.0 -48.2 -20.1 54.2 34.6 38 91 A L H < S+ 0 0 60 -4,-2.2 -2,-0.2 -20,-0.3 -1,-0.2 0.877 110.3 47.9 -57.8 -39.8 -16.3 53.5 34.5 39 92 A K H < S+ 0 0 173 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.9 40.8 -67.2 -40.3 -16.1 54.2 38.3 40 93 A R H < S+ 0 0 168 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 0.722 105.0 69.2 -89.3 -22.5 -19.0 52.1 39.4 41 94 A N < - 0 0 50 -4,-1.8 2,-0.4 -5,-0.1 9,-0.0 -0.775 52.3-169.3-110.0 137.0 -18.6 49.0 37.2 42 95 A V - 0 0 122 -2,-0.4 -3,-0.0 601,-0.0 -2,-0.0 -0.968 39.8-100.9-114.0 143.1 -16.1 46.2 37.1 43 96 A I - 0 0 21 -2,-0.4 7,-0.1 7,-0.1 601,-0.0 -0.429 43.3-117.0 -57.1 124.9 -16.1 43.7 34.2 44 97 A P > - 0 0 41 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.266 21.1-113.3 -57.6 151.5 -17.7 40.5 35.3 45 98 A E T 3 S+ 0 0 96 1,-0.3 303,-1.9 302,-0.1 304,-0.9 0.727 119.1 49.8 -59.6 -23.7 -15.6 37.4 35.4 46 99 A T T 3 S+ 0 0 57 301,-0.2 2,-0.4 302,-0.2 -1,-0.3 0.325 98.3 88.4 -98.4 3.8 -17.6 35.9 32.5 47 100 A S < - 0 0 15 -3,-1.9 3,-0.1 1,-0.1 301,-0.1 -0.871 46.5-176.6-107.5 135.3 -17.3 39.1 30.4 48 101 A S S S+ 0 0 28 -2,-0.4 597,-2.2 1,-0.4 2,-0.3 0.674 88.3 17.0 -92.9 -22.3 -14.6 39.9 27.9 49 102 A R E S-B 644 0B 42 595,-0.2 -1,-0.4 599,-0.1 2,-0.3 -0.994 70.3-172.1-144.9 142.9 -16.2 43.2 27.4 50 103 A Y E +B 643 0B 40 593,-2.1 593,-2.9 -2,-0.3 2,-0.3 -0.980 25.1 118.7-138.4 151.8 -18.8 45.1 29.4 51 104 A G E > S-B 642 0B 5 -2,-0.3 4,-2.8 591,-0.3 591,-0.3 -0.933 74.9 -70.8 164.8 167.6 -20.6 48.3 28.7 52 105 A N H > S+ 0 0 23 589,-2.3 4,-2.0 586,-0.3 588,-0.1 0.865 129.1 52.5 -55.9 -38.4 -24.1 49.7 28.2 53 106 A F H > S+ 0 0 18 586,-0.6 4,-1.3 588,-0.4 -1,-0.2 0.939 111.2 44.7 -65.9 -47.6 -24.4 47.8 24.9 54 107 A D H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 107.8 59.7 -62.6 -38.7 -23.5 44.4 26.4 55 108 A I H X S+ 0 0 31 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.928 101.8 53.9 -57.4 -44.1 -25.8 45.1 29.4 56 109 A L H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.906 107.6 50.9 -51.5 -43.2 -28.7 45.3 26.9 57 110 A R H X S+ 0 0 78 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.850 109.5 49.9 -68.7 -32.8 -27.7 41.9 25.6 58 111 A D H X S+ 0 0 44 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.848 111.2 49.7 -68.2 -35.3 -27.6 40.6 29.2 59 112 A E H X S+ 0 0 104 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.817 106.7 54.7 -73.9 -29.1 -31.1 42.0 29.8 60 113 A L H X S+ 0 0 12 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.863 103.1 57.0 -72.6 -35.5 -32.4 40.5 26.6 61 114 A E H X S+ 0 0 31 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.890 100.3 57.5 -61.1 -38.4 -31.2 37.1 27.7 62 115 A V H X S+ 0 0 61 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.935 106.6 49.9 -61.2 -40.9 -33.3 37.5 30.9 63 116 A V H X S+ 0 0 37 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.911 109.7 51.0 -60.8 -41.2 -36.4 37.9 28.7 64 117 A L H X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.897 107.3 52.0 -65.4 -41.9 -35.5 34.8 26.7 65 118 A K H X S+ 0 0 58 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.908 108.9 52.3 -62.0 -40.6 -35.1 32.6 29.8 66 119 A D H < S+ 0 0 96 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.855 114.3 41.0 -61.5 -39.7 -38.5 33.8 30.9 67 120 A V H < S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.575 119.9 43.8 -90.8 -6.3 -40.2 32.8 27.6 68 121 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.3 19,-0.2 0.670 100.4 66.2-103.2 -18.6 -38.3 29.6 27.1 69 122 A Q S < S+ 0 0 76 -4,-1.6 -2,-0.1 -5,-0.2 -3,-0.1 0.670 91.1 60.7 -88.1 -18.3 -38.4 28.0 30.6 70 123 A E S S- 0 0 134 -4,-0.4 -1,-0.1 -5,-0.1 13,-0.1 -0.936 76.1-133.9-119.5 113.4 -42.1 27.3 31.1 71 124 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.278 20.7-156.2 -49.4 140.3 -44.1 25.0 28.8 72 125 A K > - 0 0 137 1,-0.1 3,-2.6 0, 0.0 8,-0.0 -0.998 18.0-134.0-131.1 136.7 -47.5 26.3 27.7 73 126 A T T 3 S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.847 106.2 49.2 -55.6 -39.9 -50.4 24.2 26.6 74 127 A E T 3 S+ 0 0 121 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.426 80.5 131.8 -83.0 1.3 -51.2 26.3 23.6 75 128 A D < - 0 0 12 -3,-2.6 5,-0.1 1,-0.1 0, 0.0 -0.345 56.3-129.6 -60.6 120.2 -47.5 26.3 22.4 76 129 A I >> - 0 0 28 -2,-0.2 4,-2.1 1,-0.1 3,-1.2 -0.207 28.6-101.3 -62.9 166.0 -47.3 25.5 18.7 77 130 A V H 3> S+ 0 0 68 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.825 118.5 61.4 -64.4 -34.8 -44.8 22.8 17.8 78 131 A A H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.797 110.9 39.9 -62.4 -29.9 -42.1 25.2 16.6 79 132 A V H <> S+ 0 0 2 -3,-1.2 4,-2.9 2,-0.2 5,-0.3 0.792 107.6 60.6 -96.8 -34.2 -41.9 26.7 20.1 80 133 A Q H X S+ 0 0 97 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.830 106.5 51.0 -53.4 -36.3 -42.2 23.4 21.9 81 134 A K H X S+ 0 0 24 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.938 108.8 49.1 -68.7 -45.9 -39.0 22.5 20.0 82 135 A A H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.955 115.7 43.4 -58.0 -49.9 -37.3 25.7 21.1 83 136 A K H X S+ 0 0 9 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.916 112.8 51.5 -66.0 -43.2 -38.2 25.1 24.7 84 137 A A H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.901 111.3 48.7 -60.4 -38.4 -37.3 21.4 24.5 85 138 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.912 111.0 50.7 -65.0 -45.8 -33.9 22.4 23.1 86 139 A Y H X S+ 0 0 6 -4,-2.8 4,-2.2 -5,-0.2 3,-0.4 0.943 111.8 47.4 -49.2 -53.1 -33.6 24.9 25.9 87 140 A R H X S+ 0 0 71 -4,-3.3 4,-0.8 1,-0.3 -2,-0.2 0.870 111.0 50.1 -63.6 -39.5 -34.4 22.2 28.4 88 141 A S H < S+ 0 0 2 -4,-2.5 365,-0.4 -5,-0.2 -1,-0.3 0.783 111.9 52.0 -67.2 -24.0 -32.0 19.7 26.9 89 142 A d H < S+ 0 0 8 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.874 108.4 45.7 -84.9 -37.9 -29.4 22.4 27.0 90 143 A I H < S+ 0 0 62 -4,-2.2 2,-1.3 -5,-0.1 -1,-0.2 0.529 85.6 98.4 -85.8 -3.9 -29.7 23.4 30.7 91 144 A N X + 0 0 68 -4,-0.8 4,-1.3 -5,-0.2 362,-0.2 -0.659 43.8 169.0 -82.6 94.1 -29.7 19.8 32.0 92 145 A E H > S+ 0 0 59 -2,-1.3 4,-3.8 2,-0.2 5,-0.2 0.799 70.4 58.8 -78.7 -28.4 -26.1 19.4 33.1 93 146 A S H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.964 106.0 49.1 -70.1 -47.0 -26.5 16.2 35.0 94 147 A A H > S+ 0 0 26 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.927 117.5 42.8 -46.4 -48.8 -27.8 14.5 31.9 95 148 A I H >< S+ 0 0 18 -4,-1.3 3,-0.9 1,-0.2 4,-0.4 0.893 112.3 51.6 -71.2 -41.1 -24.8 15.9 30.0 96 149 A D H >< S+ 0 0 60 -4,-3.8 3,-1.2 1,-0.2 -1,-0.2 0.857 104.1 59.1 -65.2 -33.2 -22.3 15.1 32.7 97 150 A S H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.716 100.8 55.8 -68.6 -19.3 -23.4 11.5 32.9 98 151 A R T X< S- 0 0 56 -3,-0.9 3,-1.8 -4,-0.5 -1,-0.2 0.540 84.9-172.0 -91.7 -4.6 -22.6 11.0 29.2 99 152 A G T < - 0 0 14 -3,-1.2 231,-1.4 -4,-0.4 -1,-0.3 -0.298 64.9 -37.6 51.6-124.4 -19.0 12.1 29.7 100 153 A G T >> S+ 0 0 0 229,-0.2 3,-2.9 1,-0.1 4,-1.8 0.356 107.8 111.8-106.4 0.3 -17.4 12.3 26.3 101 154 A E H <> S+ 0 0 79 -3,-1.8 4,-2.8 1,-0.3 5,-0.3 0.855 70.6 59.7 -47.9 -47.9 -19.2 9.3 24.9 102 155 A P H 34 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.758 109.0 45.7 -54.6 -26.7 -21.3 11.4 22.5 103 156 A L H X> S+ 0 0 4 -3,-2.9 4,-2.2 2,-0.2 3,-1.2 0.878 109.3 53.3 -80.7 -42.7 -18.0 12.6 20.9 104 157 A L H 3< S+ 0 0 22 -4,-1.8 -3,-0.2 1,-0.3 -1,-0.1 0.894 106.0 54.1 -59.0 -40.2 -16.5 9.1 20.8 105 158 A K T 3< S+ 0 0 129 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.760 114.0 46.0 -56.2 -23.9 -19.6 7.9 18.9 106 159 A L T X4 S+ 0 0 14 -3,-1.2 3,-1.7 -5,-0.3 4,-0.2 0.808 92.8 74.6 -98.0 -35.9 -18.8 10.8 16.6 107 160 A L G ><>S+ 0 0 17 -4,-2.2 3,-2.5 1,-0.3 5,-1.9 0.878 87.9 58.9 -50.2 -50.4 -15.1 10.5 15.9 108 161 A P G > 5S+ 0 0 69 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.781 101.0 60.6 -52.9 -24.5 -15.2 7.5 13.6 109 162 A D G < 5S+ 0 0 64 -3,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.415 101.3 48.6 -97.3 0.0 -17.4 9.4 11.2 110 163 A I G < 5S- 0 0 1 -3,-2.5 -1,-0.3 -4,-0.2 27,-0.1 0.004 128.4 -90.9-117.5 24.6 -15.0 12.3 10.5 111 164 A Y T < 5S- 0 0 33 -3,-1.0 -2,-0.1 -4,-0.1 13,-0.1 0.660 72.7 -85.4 79.7 15.2 -12.2 9.9 9.8 112 165 A G < - 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0 0 34 181,-0.1 4,-2.8 1,-0.0 5,-0.2 -0.871 51.2-118.5-153.3 168.2 -8.3 11.2 1.4 130 183 A A H > S+ 0 0 1 1,-0.3 4,-2.8 -2,-0.3 5,-0.5 0.862 113.4 55.5 -72.3 -37.0 -8.4 14.9 1.8 131 184 A E H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.969 115.2 39.5 -42.8 -59.2 -11.2 15.3 -0.7 132 185 A K H > S+ 0 0 52 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.851 120.4 44.3 -71.9 -35.2 -13.4 12.9 1.3 133 186 A A H X S+ 0 0 1 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.899 114.2 45.3 -79.6 -44.0 -12.3 14.1 4.7 134 187 A I H X S+ 0 0 2 -4,-2.8 4,-2.0 -5,-0.2 11,-0.2 0.900 114.0 52.9 -64.7 -37.5 -12.5 17.9 4.2 135 188 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.5 5,-0.3 0.820 105.1 53.1 -70.1 -34.2 -15.8 17.4 2.5 136 189 A Q H X>S+ 0 0 37 -4,-1.2 4,-2.7 2,-0.2 5,-0.8 0.991 110.5 46.0 -62.3 -59.0 -17.3 15.4 5.4 137 190 A L H X5S+ 0 0 0 -4,-1.8 6,-2.4 1,-0.2 4,-1.0 0.878 117.6 46.1 -52.1 -41.7 -16.5 18.0 8.0 138 191 A N H <5S+ 0 0 4 -4,-2.0 4,-0.4 4,-0.3 -1,-0.2 0.874 120.1 33.1 -69.9 -42.3 -17.9 20.7 5.7 139 192 A S H <5S+ 0 0 3 -4,-2.3 -2,-0.2 -3,-0.2 -3,-0.2 0.801 127.8 34.2 -94.8 -31.0 -21.2 19.2 4.5 140 193 A K H <5S+ 0 0 56 -4,-2.7 325,-0.2 -5,-0.3 -3,-0.2 0.844 138.2 16.0 -87.5 -40.8 -22.2 17.2 7.5 141 194 A Y S < -C 157 0C 7 6,-1.9 3,-1.1 3,-0.6 6,-0.2 -0.823 14.8-149.2 -96.8 118.1 -23.2 35.8 -6.0 155 208 A D T 3 S+ 0 0 30 -2,-0.6 394,-4.8 1,-0.3 3,-0.2 0.729 98.2 45.8 -57.0 -22.9 -21.7 39.3 -5.6 156 209 A K T 3 S+ 0 0 80 392,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.564 124.2 29.1-103.6 -10.1 -22.3 40.0 -9.3 157 210 A N E X -C 154 0C 60 -3,-1.1 3,-2.1 3,-0.1 -3,-0.6 -0.700 68.5-166.4-146.3 99.3 -25.9 38.7 -9.5 158 211 A S E 3 S+ 0 0 12 1,-0.3 -3,-0.1 -3,-0.2 389,-0.0 0.483 82.8 61.7 -71.2 -3.0 -27.8 39.0 -6.2 159 212 A V E 3 S+ 0 0 41 316,-0.1 317,-1.5 -6,-0.1 -1,-0.3 0.552 99.0 68.0 -95.8 -11.1 -30.6 36.7 -7.3 160 213 A N E < - 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0 0 38 -5,-1.3 2,-0.4 -8,-0.2 -1,-0.2 -0.963 43.2-140.5-123.9 149.8 -26.8 17.8 -6.6 283 336 A S - 0 0 95 -2,-0.4 2,-0.5 -5,-0.1 -9,-0.0 -0.860 10.6-157.6-118.7 134.0 -24.4 17.3 -9.5 284 337 A I - 0 0 12 -2,-0.4 2,-0.3 -14,-0.1 -10,-0.1 -0.938 4.1-150.1-124.3 121.6 -21.4 19.4 -10.4 285 338 A T > - 0 0 60 -2,-0.5 3,-4.2 1,-0.1 -34,-0.4 -0.678 27.6-124.9 -83.3 135.8 -19.6 19.8 -13.7 286 339 A N T 3 S+ 0 0 48 -2,-0.3 -34,-1.7 1,-0.3 -33,-0.2 0.516 118.9 63.1 -44.5 -5.5 -15.9 20.5 -14.0 287 340 A E T 3 S+ 0 0 145 -36,-0.2 -1,-0.3 -37,-0.1 2,-0.1 0.363 78.0 123.0-106.3 2.7 -17.5 23.3 -16.0 288 341 A E < - 0 0 24 -3,-4.2 -37,-1.7 1,-0.1 2,-0.3 -0.342 65.9-116.9 -60.9 140.3 -19.3 24.7 -13.0 289 342 A D E - E 0 250C 75 -39,-0.2 -126,-0.7 -38,-0.1 2,-0.4 -0.607 33.4-174.0 -81.9 141.8 -18.6 28.3 -12.2 290 343 A V E -dE 163 249C 0 -41,-4.4 -41,-3.3 -2,-0.3 2,-0.6 -0.999 22.9-136.6-138.8 136.5 -16.9 29.1 -8.9 291 344 A V E -dE 164 248C 0 -128,-2.4 -126,-2.3 -2,-0.4 2,-0.6 -0.832 22.9-158.1 -93.6 120.7 -16.2 32.4 -7.1 292 345 A V E +dE 165 247C 0 -45,-2.3 -45,-0.7 -2,-0.6 -126,-0.2 -0.881 19.7 173.4-109.2 111.7 -12.6 32.2 -5.7 293 346 A Y S S+ 0 0 34 -128,-2.8 -127,-0.2 -2,-0.6 -1,-0.1 0.586 77.1 40.6 -87.8 -13.6 -11.9 34.6 -2.9 294 347 A A > + 0 0 6 -129,-0.7 4,-2.0 1,-0.1 3,-0.3 -0.292 58.0 148.4-143.6 46.7 -8.4 33.3 -2.0 295 348 A P H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 79.1 49.9 -49.6 -49.8 -6.4 32.5 -5.2 296 349 A E H > S+ 0 0 129 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.856 107.9 53.8 -64.7 -34.1 -3.0 33.4 -3.6 297 350 A Y H > S+ 0 0 3 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.894 108.9 48.7 -68.6 -39.2 -3.8 31.3 -0.6 298 351 A L H >X S+ 0 0 3 -4,-2.0 4,-1.1 2,-0.2 3,-0.7 0.973 111.2 50.1 -63.4 -55.3 -4.5 28.3 -2.7 299 352 A T H >< S+ 0 0 82 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.948 113.3 46.3 -36.3 -60.7 -1.3 28.9 -4.7 300 353 A K H 3X S+ 0 0 98 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.743 102.5 66.9 -65.9 -23.5 0.6 29.1 -1.4 301 354 A L H < S+ 0 0 16 -4,-0.8 3,-1.6 -3,-0.3 -2,-0.2 0.974 109.0 43.9 -68.2 -55.6 2.7 23.5 2.4 305 358 A L H >< S+ 0 0 2 -4,-2.7 3,-2.2 1,-0.3 -42,-0.3 0.900 102.7 64.9 -60.0 -44.0 0.4 20.5 2.0 306 359 A T T 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.566 98.9 60.1 -55.3 -6.6 2.9 18.3 0.2 307 360 A K T < S+ 0 0 125 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.487 94.5 65.5-107.9 -7.3 5.0 18.4 3.3 308 361 A Y S < S- 0 0 18 -3,-2.2 -45,-0.4 -4,-0.2 2,-0.0 -0.804 77.6-109.9-121.9 155.5 2.8 16.8 5.9 309 362 A S > - 0 0 45 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.303 28.7-114.3 -70.9 164.2 1.2 13.4 6.4 310 363 A A H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.807 123.8 56.0 -54.2 -36.6 -2.4 12.5 6.1 311 364 A R H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -196,-0.2 0.938 107.2 45.5 -64.8 -48.4 -2.0 11.9 9.8 312 365 A D H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.950 115.2 48.8 -57.7 -47.8 -0.7 15.4 10.4 313 366 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.924 113.3 44.7 -61.5 -45.8 -3.5 16.9 8.2 314 367 A Q H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.756 106.9 60.8 -75.3 -25.2 -6.3 14.9 9.9 315 368 A N H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.891 113.1 36.6 -67.9 -40.9 -4.9 15.7 13.3 316 369 A L H X S+ 0 0 6 -4,-1.8 4,-1.2 -3,-0.2 -2,-0.2 0.913 116.8 54.4 -69.1 -45.5 -5.4 19.5 12.7 317 370 A M H X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 3,-0.4 0.905 112.4 40.4 -62.8 -44.3 -8.6 18.9 10.7 318 371 A S H >X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-1.0 0.871 110.3 58.5 -72.4 -39.7 -10.4 17.0 13.4 319 372 A W H 3X S+ 0 0 0 -4,-1.2 4,-2.8 -5,-0.3 -1,-0.2 0.731 97.7 61.6 -60.1 -26.3 -9.1 19.2 16.3 320 373 A R H 3< S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.4 4,-0.2 0.752 111.9 37.5 -78.3 -24.1 -10.7 22.2 14.7 321 374 A F H X< S+ 0 0 5 -3,-1.0 3,-1.8 -4,-0.5 4,-0.4 0.871 115.9 52.2 -82.0 -51.3 -14.1 20.6 15.0 322 375 A I H >X S+ 0 0 2 -4,-2.8 3,-2.7 1,-0.3 4,-1.4 0.934 97.8 68.5 -50.7 -53.5 -13.4 19.0 18.4 323 376 A M T 3< S+ 0 0 10 -4,-2.8 -1,-0.3 1,-0.3 4,-0.3 0.824 105.7 41.9 -17.4 -51.8 -12.3 22.5 19.6 324 377 A D T <4 S+ 0 0 79 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.506 111.8 51.7 -97.0 -6.3 -15.9 23.5 19.3 325 378 A L T X4 S+ 0 0 5 -3,-2.7 3,-2.3 -4,-0.4 -1,-0.2 0.647 85.1 80.8-101.0 -23.4 -17.7 20.4 20.8 326 379 A V G >< S+ 0 0 1 -4,-1.4 3,-1.1 1,-0.3 -2,-0.1 0.753 85.7 58.6 -76.1 -21.3 -15.9 19.9 24.0 327 380 A S G 3 S+ 0 0 45 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.509 100.6 59.5 -83.4 -1.0 -17.9 22.6 25.9 328 381 A S G < S+ 0 0 14 -3,-2.3 -1,-0.2 5,-0.0 -2,-0.2 0.295 100.0 73.6-100.9 5.8 -21.1 20.6 25.0 329 382 A L S < S- 0 0 4 -3,-1.1 -229,-0.2 1,-0.3 -233,-0.1 -0.300 98.1 -52.0-102.1-166.8 -19.7 17.6 26.8 330 383 A S >> - 0 0 11 -231,-1.4 4,-2.9 -235,-0.2 3,-0.8 0.018 61.5 -91.7 -68.2 176.8 -19.3 16.9 30.5 331 384 A R H 3> S+ 0 0 75 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.830 124.3 56.1 -65.9 -35.8 -17.6 19.1 33.1 332 385 A T H 3> S+ 0 0 74 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.837 111.9 43.6 -64.3 -35.4 -14.1 17.5 32.6 333 386 A Y H X4 S+ 0 0 7 -3,-0.8 3,-0.7 2,-0.2 4,-0.4 0.917 112.8 52.6 -73.4 -43.4 -14.3 18.2 28.9 334 387 A K H >< S+ 0 0 9 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.919 106.1 56.5 -49.8 -46.1 -15.6 21.7 29.7 335 388 A E H >< S+ 0 0 95 -4,-2.9 3,-1.9 1,-0.3 4,-0.3 0.735 91.0 68.2 -65.7 -29.6 -12.7 22.2 32.1 336 389 A S T << S+ 0 0 21 -4,-0.8 -1,-0.3 -3,-0.7 4,-0.2 0.628 95.4 58.2 -70.4 -11.9 -9.9 21.5 29.5 337 390 A R T <> S+ 0 0 64 -3,-1.6 4,-2.2 -4,-0.4 3,-0.4 0.551 79.2 101.6 -84.9 -10.0 -10.9 24.8 27.7 338 391 A N H <> S+ 0 0 74 -3,-1.9 4,-1.6 1,-0.3 -1,-0.1 0.847 83.2 35.1 -52.7 -55.2 -10.3 26.8 30.8 339 392 A A H > S+ 0 0 55 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.783 114.1 58.0 -75.6 -29.0 -6.9 28.4 30.1 340 393 A F H > S+ 0 0 1 -3,-0.4 4,-1.8 -150,-0.3 -1,-0.2 0.916 108.4 44.2 -66.9 -46.1 -7.4 28.8 26.4 341 394 A R H X>S+ 0 0 20 -4,-2.2 4,-2.7 2,-0.2 5,-0.6 0.875 111.6 55.0 -71.7 -31.7 -10.5 30.9 26.7 342 395 A K H X5S+ 0 0 91 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.929 108.2 50.0 -58.4 -45.8 -8.8 33.0 29.4 343 396 A A H <5S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.861 120.6 33.6 -61.4 -38.1 -5.9 33.6 27.0 344 397 A L H <5S+ 0 0 6 -4,-1.8 307,-0.2 -5,-0.1 -1,-0.2 0.797 138.3 17.3 -85.5 -28.6 -8.2 34.8 24.2 345 398 A Y H <5S- 0 0 77 -4,-2.7 303,-0.4 -5,-0.2 -3,-0.2 0.601 85.9-130.1-126.6 -23.9 -10.9 36.4 26.3 346 399 A G << + 0 0 0 -4,-2.0 -4,-0.2 -5,-0.6 2,-0.2 0.499 60.0 138.1 79.5 4.1 -9.6 37.1 29.8 347 400 A T - 0 0 11 -6,-0.5 -1,-0.3 -301,-0.1 -301,-0.2 -0.544 43.4-159.0 -83.6 148.6 -12.7 35.5 31.4 348 401 A T S S+ 0 0 63 -303,-1.9 2,-0.3 -2,-0.2 -302,-0.2 0.445 71.7 23.8-108.7 -2.7 -12.2 33.2 34.4 349 402 A S S S- 0 0 56 -304,-0.9 -1,-0.2 -8,-0.1 2,-0.1 -0.991 83.3 -93.2-154.4 156.5 -15.5 31.3 34.1 350 403 A E - 0 0 43 -2,-0.3 3,-0.1 1,-0.1 -304,-0.1 -0.483 48.3-106.4 -59.1 140.0 -18.3 30.2 31.8 351 404 A T - 0 0 41 -305,-0.2 -1,-0.1 1,-0.2 5,-0.1 -0.214 61.0 -64.8 -53.5 157.8 -21.3 32.5 31.5 352 405 A A > - 0 0 41 1,-0.1 4,-2.3 -3,-0.1 3,-0.3 -0.195 44.8-126.6 -54.6 142.0 -24.4 31.1 33.2 353 406 A T H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 109.3 55.1 -61.7 -38.7 -25.7 27.9 31.6 354 407 A W H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.874 110.2 46.7 -63.1 -35.9 -29.2 29.3 31.1 355 408 A R H > S+ 0 0 55 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.916 112.2 48.3 -71.1 -45.2 -27.8 32.3 29.2 356 409 A R H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 117.3 44.8 -57.8 -41.0 -25.5 30.3 27.0 357 410 A d H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.902 109.4 53.2 -76.0 -42.1 -28.5 28.1 26.3 358 411 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.892 113.8 45.1 -54.7 -41.2 -30.9 30.9 25.8 359 412 A N H X S+ 0 0 94 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.868 109.7 54.1 -76.3 -37.5 -28.5 32.3 23.2 360 413 A Y H X S+ 0 0 51 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.957 109.7 46.4 -63.0 -50.7 -27.9 29.0 21.5 361 414 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.927 112.1 51.6 -55.8 -47.4 -31.6 28.4 20.9 362 415 A N H < S+ 0 0 12 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.919 109.0 53.5 -50.9 -43.7 -31.9 31.9 19.7 363 416 A G H < S+ 0 0 47 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.862 118.5 32.4 -58.5 -37.8 -29.0 31.2 17.3 364 417 A N H < S+ 0 0 55 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.581 131.2 30.3-104.8 -12.9 -30.6 28.1 15.9 365 418 A M S X S+ 0 0 1 -4,-2.2 4,-3.0 -5,-0.2 5,-0.4 -0.371 70.8 157.0-143.1 55.9 -34.3 29.0 16.0 366 419 A E H > S+ 0 0 66 -3,-0.3 4,-1.3 1,-0.2 119,-0.5 0.762 71.7 46.6 -68.8 -29.3 -34.2 32.7 15.6 367 420 A N H > S+ 0 0 29 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.930 115.7 45.0 -79.7 -42.2 -37.7 33.2 14.2 368 421 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.983 117.5 42.7 -60.6 -60.7 -39.3 31.1 16.8 369 422 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 -8,-0.2 -1,-0.2 0.894 114.5 55.7 -50.0 -36.9 -37.4 32.5 19.7 370 423 A G H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.4 -2,-0.2 0.879 100.5 55.4 -70.4 -39.1 -38.0 35.9 18.1 371 424 A R H X S+ 0 0 22 -4,-2.5 4,-2.0 -3,-0.3 -1,-0.2 0.934 110.8 46.7 -51.8 -47.0 -41.8 35.4 18.0 372 425 A L H X S+ 0 0 14 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.921 110.1 52.2 -67.7 -41.6 -41.7 34.9 21.7 373 426 A Y H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.895 110.1 48.5 -62.0 -41.6 -39.4 37.9 22.4 374 427 A V H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.925 108.9 52.5 -70.2 -43.1 -41.6 40.2 20.6 375 428 A E H < S+ 0 0 114 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.882 119.0 36.4 -56.5 -41.8 -44.8 39.1 22.3 376 429 A A H < S+ 0 0 65 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.891 135.0 14.3 -76.0 -38.4 -43.3 39.6 25.7 377 430 A A H < S+ 0 0 51 -4,-2.5 2,-0.5 -5,-0.2 -3,-0.2 0.513 99.4 83.8-129.3 -12.6 -41.2 42.7 25.1 378 431 A F < - 0 0 27 -4,-2.3 -1,-0.1 -5,-0.3 129,-0.1 -0.911 55.3-152.7-119.4 126.5 -41.9 44.6 21.9 379 432 A A - 0 0 92 -2,-0.5 -1,-0.1 1,-0.1 -5,-0.0 0.843 23.8-132.5 -76.3 -41.6 -44.7 47.1 21.8 380 433 A G S S+ 0 0 27 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.103 94.7 62.8 114.4 -21.9 -45.8 47.2 18.2 381 434 A E S >> S+ 0 0 143 2,-0.1 4,-1.6 1,-0.1 3,-0.6 0.553 79.9 79.9-108.1 -16.6 -45.9 50.9 17.5 382 435 A S H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 91.6 59.4 -43.6 -37.1 -42.2 51.5 18.2 383 436 A K H 3> S+ 0 0 51 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.757 99.0 51.9 -81.3 -27.8 -41.9 50.2 14.7 384 437 A H H <> S+ 0 0 105 -3,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.879 110.8 49.2 -65.2 -42.4 -44.1 52.9 13.0 385 438 A V H X S+ 0 0 58 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.919 112.0 48.7 -66.5 -40.5 -42.0 55.6 14.7 386 439 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.935 105.7 57.1 -64.8 -47.3 -38.8 53.9 13.5 387 440 A E H X S+ 0 0 62 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.899 110.0 46.3 -43.3 -46.9 -40.2 53.6 9.9 388 441 A D H X S+ 0 0 89 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.883 109.6 52.2 -72.7 -37.6 -40.7 57.4 9.9 389 442 A L H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.906 108.5 52.4 -58.8 -42.7 -37.2 58.1 11.4 390 443 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.884 108.1 50.7 -64.4 -38.9 -35.7 55.9 8.6 391 444 A A H X S+ 0 0 49 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.904 111.3 49.6 -59.6 -43.2 -37.6 57.9 6.0 392 445 A Q H X S+ 0 0 51 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.963 113.9 43.2 -61.7 -51.9 -36.2 61.1 7.6 393 446 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.868 111.0 54.0 -69.0 -36.5 -32.6 59.9 7.7 394 447 A R H X S+ 0 0 32 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.883 109.5 50.1 -62.2 -35.3 -32.7 58.4 4.2 395 448 A E H X S+ 0 0 92 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.919 108.4 52.1 -67.6 -44.3 -33.9 61.8 2.9 396 449 A V H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.923 106.0 53.6 -57.8 -48.6 -31.1 63.6 4.7 397 450 A F H X S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.967 110.4 47.8 -49.5 -56.6 -28.4 61.4 3.2 398 451 A I H >< S+ 0 0 12 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.932 110.5 52.3 -48.4 -56.3 -29.8 62.3 -0.3 399 452 A Q H >< S+ 0 0 83 -4,-2.7 3,-2.5 1,-0.2 4,-0.3 0.898 104.4 55.2 -39.1 -56.7 -29.9 66.0 0.6 400 453 A T H >X S+ 0 0 12 -4,-2.5 3,-1.1 1,-0.3 4,-0.8 0.702 86.7 80.1 -65.9 -22.5 -26.3 66.0 1.7 401 454 A L T << S+ 0 0 3 -3,-1.2 3,-0.4 -4,-1.1 -1,-0.3 0.811 90.6 56.2 -50.7 -28.9 -25.2 64.6 -1.7 402 455 A D T <4 S+ 0 0 116 -3,-2.5 -1,-0.3 -4,-0.4 -2,-0.2 0.819 107.0 45.5 -76.2 -30.7 -25.6 68.2 -2.9 403 456 A D T <4 S+ 0 0 134 -3,-1.1 2,-0.8 -4,-0.3 -1,-0.2 0.432 86.2 103.4 -95.4 -0.2 -23.2 69.7 -0.4 404 457 A L >< - 0 0 6 -4,-0.8 3,-0.8 -3,-0.4 8,-0.1 -0.759 52.0-169.1 -90.5 112.9 -20.5 67.1 -0.8 405 458 A T T 3 S+ 0 0 136 -2,-0.8 -1,-0.1 1,-0.2 -4,-0.0 0.447 72.2 69.8 -85.4 0.3 -17.8 68.6 -3.0 406 459 A W T 3 S+ 0 0 14 289,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.375 86.6 72.0-108.1 4.4 -15.8 65.5 -3.7 407 460 A M S < S- 0 0 15 -3,-0.8 2,-0.2 -6,-0.2 3,-0.0 -0.844 75.9-125.7-111.2 156.9 -18.2 63.7 -6.0 408 461 A D > - 0 0 43 -2,-0.3 4,-2.5 146,-0.1 3,-0.4 -0.606 33.2-100.6 -95.0 162.7 -19.2 64.5 -9.6 409 462 A A H > S+ 0 0 80 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.890 119.3 47.3 -51.7 -55.0 -22.7 65.1 -10.7 410 463 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.900 112.1 52.1 -57.9 -38.1 -23.4 61.7 -12.3 411 464 A T H > S+ 0 0 1 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.951 107.2 51.3 -67.9 -47.2 -21.9 59.9 -9.3 412 465 A K H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.936 108.2 54.6 -45.7 -50.4 -24.2 61.8 -6.9 413 466 A K H X S+ 0 0 134 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.896 108.9 45.4 -59.6 -44.9 -27.1 60.8 -9.0 414 467 A R H X S+ 0 0 110 -4,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.858 109.7 56.9 -65.9 -33.4 -26.4 57.2 -8.8 415 468 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 108.5 45.8 -64.2 -40.2 -25.8 57.6 -5.1 416 469 A E H X S+ 0 0 81 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.941 110.6 56.0 -66.2 -47.9 -29.3 58.9 -4.7 417 470 A E H X S+ 0 0 82 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.941 109.2 43.8 -38.5 -64.4 -30.5 56.1 -6.9 418 471 A K H < S+ 0 0 2 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.845 113.3 52.9 -61.9 -35.2 -29.0 53.4 -4.7 419 472 A A H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.903 105.2 52.3 -68.2 -44.3 -30.3 55.2 -1.5 420 473 A L H 3< S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.9 57.2 -56.9 -26.5 -33.9 55.4 -2.8 421 474 A A T 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.525 76.8 115.0 -90.5 -6.7 -33.5 51.7 -3.4 422 475 A I < - 0 0 4 -3,-1.5 2,-0.4 -4,-0.3 76,-0.2 -0.430 53.5-153.6 -63.9 137.5 -32.6 50.8 0.2 423 476 A K E -f 498 0D 126 74,-1.4 76,-1.6 73,-0.2 2,-0.3 -0.959 9.5-138.7-124.2 136.4 -35.3 48.6 1.7 424 477 A E E -f 499 0D 61 -2,-0.4 2,-0.5 74,-0.2 76,-0.2 -0.652 11.5-160.8-111.8 144.7 -35.8 48.6 5.4 425 478 A R E -f 500 0D 30 74,-2.5 76,-3.4 -2,-0.3 2,-0.5 -0.981 18.4-170.5-128.0 116.5 -36.5 45.8 7.9 426 479 A I E -f 501 0D 7 -2,-0.5 2,-1.7 74,-0.2 -43,-0.1 -0.932 50.7 -37.0-125.4 117.1 -37.9 47.0 11.2 427 480 A G E S-f 502 0D 0 74,-3.6 76,-2.5 -2,-0.5 77,-0.2 -0.529 110.7 -28.3 87.1 -82.0 -38.5 45.1 14.5 428 481 A Y - 0 0 38 -2,-1.7 2,-0.7 74,-0.2 -2,-0.2 -0.968 66.7 -91.8-158.8 165.3 -39.6 41.7 13.3 429 482 A P > - 0 0 22 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.785 29.6-139.1 -86.6 117.4 -41.4 40.0 10.3 430 483 A D T >> S+ 0 0 93 -2,-0.7 4,-2.5 1,-0.3 3,-2.1 0.767 95.8 76.2 -44.6 -33.0 -45.1 39.8 11.0 431 484 A D H 3> S+ 0 0 55 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.880 84.4 62.3 -42.4 -45.6 -45.0 36.3 9.5 432 485 A I H <4 S+ 0 0 8 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.660 115.6 31.2 -72.9 -11.7 -43.5 34.9 12.6 433 486 A V H <4 S+ 0 0 45 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.769 126.3 37.5-101.6 -38.6 -46.5 35.9 14.6 434 487 A S H < S+ 0 0 85 -4,-2.5 2,-0.7 1,-0.2 -3,-0.2 0.690 109.1 59.9 -93.3 -20.1 -49.4 35.6 12.2 435 488 A N X + 0 0 64 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 -0.761 52.8 170.9-119.3 86.7 -48.4 32.5 10.2 436 489 A D H >> S+ 0 0 64 -2,-0.7 4,-2.9 1,-0.2 3,-1.1 0.949 77.4 56.1 -64.1 -51.5 -48.1 29.5 12.4 437 490 A N H 3> S+ 0 0 115 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.885 106.2 51.1 -42.7 -51.3 -47.8 27.0 9.5 438 491 A K H 3> S+ 0 0 92 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.813 112.6 45.5 -63.9 -30.4 -44.8 28.8 8.1 439 492 A L H < S+ 0 0 31 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.910 110.8 54.9 -55.5 -40.2 -43.7 25.3 12.2 441 494 A N H >< S+ 0 0 97 -4,-2.8 3,-0.5 -5,-0.3 4,-0.3 0.749 96.1 62.8 -74.1 -24.2 -42.5 24.4 8.7 442 495 A E H 3< S+ 0 0 61 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.786 116.5 32.8 -64.8 -25.9 -39.1 26.0 9.0 443 496 A Y T X< S+ 0 0 4 -3,-1.0 3,-1.7 -4,-0.7 -1,-0.2 0.251 85.3 111.8-115.8 10.6 -38.4 23.5 11.8 444 497 A L T < S+ 0 0 114 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.898 76.0 53.6 -47.1 -48.7 -40.4 20.6 10.5 445 498 A E T 3 S+ 0 0 158 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.601 94.8 89.6 -76.6 -6.3 -37.3 18.5 9.8 446 499 A L < + 0 0 3 -3,-1.7 2,-0.3 17,-0.0 -3,-0.0 -0.690 46.6 173.2 -93.3 142.1 -36.0 19.0 13.3 447 500 A N - 0 0 120 -2,-0.3 2,-0.3 9,-0.1 12,-0.1 -0.862 14.8-161.0-148.5 110.2 -36.9 16.6 16.2 448 501 A Y - 0 0 22 -2,-0.3 2,-0.5 11,-0.0 5,-0.1 -0.652 10.8-146.3-100.6 146.6 -35.2 17.1 19.5 449 502 A K > - 0 0 117 3,-0.3 3,-2.2 -2,-0.3 7,-0.2 -0.958 13.6-142.1-113.0 130.9 -34.7 14.8 22.4 450 503 A E T 3 S+ 0 0 90 -2,-0.5 3,-0.2 1,-0.3 -359,-0.2 0.646 99.6 44.8 -71.9 -15.9 -34.7 16.4 25.8 451 504 A D T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -357,-0.1 3,-0.1 0.222 103.8 67.1-109.0 10.3 -32.0 14.2 27.3 452 505 A E <> + 0 0 24 -3,-2.2 4,-2.3 1,-0.1 -3,-0.3 -0.510 48.1 157.2-133.0 65.1 -29.7 14.3 24.3 453 506 A Y H > S+ 0 0 26 -365,-0.4 4,-2.4 2,-0.2 5,-0.2 0.895 78.7 51.6 -55.0 -42.5 -28.3 17.8 24.0 454 507 A F H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 109.3 48.5 -68.4 -45.0 -25.3 16.6 22.0 455 508 A E H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 111.2 54.4 -49.9 -45.2 -27.4 14.7 19.5 456 509 A N H X S+ 0 0 2 -4,-2.3 4,-2.2 -7,-0.2 -2,-0.2 0.933 109.6 43.4 -61.9 -46.4 -29.5 17.9 19.2 457 510 A I H X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.878 110.8 54.7 -76.6 -35.6 -26.7 20.2 18.4 458 511 A I H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.2 3,-0.4 0.975 108.9 50.9 -48.1 -53.4 -25.1 17.7 16.0 459 512 A Q H X S+ 0 0 52 -4,-2.6 4,-2.9 1,-0.3 -2,-0.2 0.902 106.4 53.1 -57.9 -43.9 -28.5 17.7 14.2 460 513 A N H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.879 107.2 52.3 -59.4 -37.1 -28.7 21.5 14.0 461 514 A L H X S+ 0 0 61 -4,-2.0 4,-2.0 -3,-0.4 -1,-0.2 0.947 112.7 45.2 -63.0 -45.4 -25.2 21.6 12.3 462 515 A K H X S+ 0 0 76 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.934 114.8 46.7 -60.3 -51.8 -26.4 19.0 9.7 463 516 A F H X S+ 0 0 41 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.936 111.9 51.7 -56.4 -49.7 -29.7 20.8 9.1 464 517 A S H X S+ 0 0 67 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.904 114.7 41.8 -52.0 -47.8 -28.0 24.1 8.8 465 518 A Q H X S+ 0 0 24 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.899 112.0 53.0 -78.6 -41.9 -25.5 22.9 6.3 466 519 A S H X S+ 0 0 48 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.944 109.6 52.3 -48.1 -51.5 -28.1 20.9 4.3 467 520 A K H < S+ 0 0 91 -4,-2.8 3,-0.3 -5,-0.2 4,-0.3 0.925 110.3 45.9 -51.9 -52.3 -30.2 24.0 4.1 468 521 A Q H >< S+ 0 0 61 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.910 109.8 51.0 -66.0 -46.8 -27.5 26.2 2.7 469 522 A L H >< S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.779 100.6 62.9 -67.7 -28.0 -26.0 24.0 0.1 470 523 A K T 3< S+ 0 0 98 -4,-1.4 3,-0.3 -3,-0.3 -1,-0.3 0.530 87.1 74.9 -77.9 -3.3 -29.4 23.3 -1.5 471 524 A K T X + 0 0 46 -3,-1.7 3,-1.2 -4,-0.3 -1,-0.3 0.565 67.3 100.4 -75.1 -10.2 -29.7 27.0 -2.4 472 525 A L T < S+ 0 0 4 -3,-1.5 -311,-0.7 1,-0.3 -1,-0.2 0.881 95.2 22.2 -48.6 -53.7 -27.1 26.5 -5.2 473 526 A R T 3 S+ 0 0 129 -3,-0.3 -1,-0.3 -313,-0.1 2,-0.2 0.355 110.0 95.2-100.0 5.3 -29.6 26.4 -8.0 474 527 A E S < S- 0 0 127 -3,-1.2 -313,-0.4 -4,-0.1 2,-0.1 -0.601 77.0-113.2 -90.6 155.9 -32.4 28.2 -6.1 475 528 A K - 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