==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-MAY-10 3N3A . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 2 SUBUNIT BE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.K.BOAL,J.A.COTRUVO JR.,J.STUBBE,A.C.ROSENZWEIG . 823 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 438 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 0 2 4 4 0 2 2 0 4 4 3 0 1 0 2 0 0 0 0 2 0 0 0 0 2 4 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 2 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 B I 0 0 83 0, 0.0 2,-0.3 0, 0.0 478,-0.1 0.000 360.0 360.0 360.0 128.1 7.5 50.2 35.5 2 7 B S - 0 0 89 476,-0.1 2,-0.3 472,-0.0 534,-0.0 -0.895 360.0-101.0-111.3 148.9 9.2 47.9 37.9 3 8 B A - 0 0 25 -2,-0.3 472,-0.2 529,-0.1 2,-0.2 -0.520 42.0-119.5 -69.1 124.7 12.9 47.0 37.9 4 9 B I - 0 0 11 470,-0.5 2,-0.5 -2,-0.3 512,-0.1 -0.440 24.8-163.9 -73.1 136.2 13.4 43.5 36.4 5 10 B N > - 0 0 23 3,-0.2 3,-1.3 -2,-0.2 76,-0.1 -0.935 12.1-172.9-124.6 106.6 14.9 40.9 38.6 6 11 B W T 3 S+ 0 0 5 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.442 86.2 64.2 -77.8 -0.7 16.2 37.8 36.8 7 12 B N T 3 S+ 0 0 65 1,-0.2 -1,-0.3 518,-0.0 2,-0.1 0.270 96.8 59.1-103.3 5.8 16.9 36.1 40.2 8 13 B K S < S+ 0 0 99 -3,-1.3 2,-0.4 0, 0.0 -1,-0.2 -0.592 76.2 177.1-128.2 69.1 13.2 36.1 40.9 9 14 B I - 0 0 39 -3,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.611 18.2-172.0 -78.1 127.2 11.9 34.1 38.0 10 15 B S S S+ 0 0 96 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.793 82.5 27.8 -84.4 -35.5 8.1 33.4 38.1 11 16 B D >> - 0 0 20 1,-0.1 3,-1.7 0, 0.0 4,-0.7 -0.958 69.4-152.0-133.8 112.7 8.2 31.0 35.2 12 17 B D H 3> S+ 0 0 105 -2,-0.4 4,-2.4 1,-0.3 3,-0.2 0.725 93.3 69.4 -53.2 -29.3 11.4 28.9 34.5 13 18 B K H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.837 91.3 60.3 -60.8 -34.7 10.5 28.8 30.8 14 19 B D H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.920 110.2 40.4 -58.4 -45.8 11.2 32.5 30.5 15 20 B L H X S+ 0 0 45 -4,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.915 114.4 52.5 -72.0 -42.1 14.8 32.0 31.6 16 21 B E H X S+ 0 0 43 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.908 115.0 41.5 -56.5 -46.0 15.3 28.8 29.6 17 22 B V H X S+ 0 0 5 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.904 112.2 54.1 -73.8 -41.7 14.1 30.4 26.4 18 23 B W H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.949 113.2 44.9 -50.6 -51.0 16.0 33.7 27.1 19 24 B N H X S+ 0 0 34 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.916 115.0 46.3 -62.8 -45.7 19.1 31.5 27.4 20 25 B R H X S+ 0 0 41 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.929 116.7 43.8 -61.9 -47.9 18.4 29.4 24.4 21 26 B L H < S+ 0 0 1 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.915 118.2 41.7 -68.1 -45.8 17.6 32.4 22.1 22 27 B T H >< S+ 0 0 3 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.877 112.6 53.2 -71.4 -38.9 20.4 34.7 23.2 23 28 B S H 3< S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.723 107.4 55.2 -68.6 -18.2 23.1 32.0 23.3 24 29 B N T 3< S+ 0 0 15 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.212 78.3 144.2 -94.7 11.3 22.0 31.2 19.7 25 30 B F < + 0 0 23 -3,-1.6 2,-0.3 161,-0.0 -3,-0.1 -0.247 20.0 160.5 -53.0 137.1 22.6 34.7 18.4 26 31 B W - 0 0 7 156,-0.0 -2,-0.0 66,-0.0 69,-0.0 -0.951 27.0-150.8-151.9 162.6 23.9 34.9 14.9 27 32 B L > - 0 0 7 -2,-0.3 3,-1.9 1,-0.0 4,-0.3 -0.970 31.7-115.4-135.4 153.3 24.2 37.3 12.0 28 33 B P G > S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 5,-0.4 0.762 112.7 68.1 -60.1 -25.2 24.3 36.6 8.2 29 34 B E G 3 S+ 0 0 104 1,-0.3 -3,-0.0 3,-0.1 4,-0.0 0.717 90.5 63.7 -64.3 -21.7 27.9 37.9 8.1 30 35 B K G < S+ 0 0 128 -3,-1.9 -1,-0.3 2,-0.1 149,-0.0 0.628 92.2 74.2 -78.2 -14.9 28.9 34.9 10.1 31 36 B V S < S- 0 0 15 -3,-1.4 2,-2.5 -4,-0.3 3,-0.2 -0.888 85.6-130.9-101.1 127.2 27.9 32.6 7.3 32 37 B P > + 0 0 64 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.370 41.7 161.8 -75.6 65.7 30.2 32.5 4.2 33 38 B L G > + 0 0 6 -2,-2.5 3,-2.4 -5,-0.4 143,-0.2 0.798 63.6 70.8 -54.0 -35.5 27.4 33.0 1.7 34 39 B S G > S+ 0 0 66 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.766 84.0 70.6 -57.3 -26.1 29.8 34.1 -1.0 35 40 B N G < S+ 0 0 110 -3,-1.8 4,-0.4 1,-0.3 -1,-0.3 0.598 87.2 66.8 -67.1 -9.3 31.0 30.4 -1.2 36 41 B D G <> S+ 0 0 3 -3,-2.4 4,-3.0 -4,-0.2 -1,-0.3 0.479 71.3 95.9 -86.6 -4.2 27.6 29.6 -2.8 37 42 B I H <> S+ 0 0 69 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.923 83.4 48.6 -55.7 -48.5 28.4 31.6 -6.0 38 43 B P H > S+ 0 0 89 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.943 114.0 46.9 -54.0 -50.0 29.6 28.5 -8.0 39 44 B A H >> S+ 0 0 20 -4,-0.4 3,-1.2 1,-0.2 4,-0.6 0.930 110.4 52.7 -56.7 -48.3 26.5 26.5 -7.0 40 45 B W H >< S+ 0 0 10 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.890 104.8 56.2 -53.5 -44.0 24.2 29.4 -7.9 41 46 B Q H 3< S+ 0 0 122 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.720 103.0 55.3 -64.4 -21.9 25.8 29.6 -11.3 42 47 B T H << S+ 0 0 82 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.556 87.1 102.9 -88.8 -8.4 25.0 26.0 -12.0 43 48 B L S << S- 0 0 10 -3,-1.4 -3,-0.0 -4,-0.6 5,-0.0 -0.449 77.8-111.8 -73.1 146.2 21.2 26.5 -11.2 44 49 B T > - 0 0 75 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.283 29.6-109.5 -67.0 161.8 18.7 26.7 -14.1 45 50 B V H > S+ 0 0 115 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.892 122.8 55.4 -61.0 -38.3 17.0 30.1 -14.7 46 51 B V H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 109.1 46.1 -54.5 -50.1 13.8 28.4 -13.4 47 52 B E H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.874 113.5 48.8 -64.5 -40.3 15.6 27.4 -10.2 48 53 B Q H X S+ 0 0 31 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 112.5 47.0 -66.0 -47.8 17.2 30.9 -9.7 49 54 B Q H X S+ 0 0 76 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.928 113.1 49.9 -58.6 -48.0 13.9 32.7 -10.3 50 55 B L H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.903 109.3 52.0 -55.7 -46.4 12.1 30.3 -7.9 51 56 B T H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.927 111.5 45.9 -58.6 -48.1 14.8 30.9 -5.2 52 57 B M H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 112.7 50.1 -65.8 -37.4 14.5 34.7 -5.5 53 58 B R H X S+ 0 0 48 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.902 109.8 51.9 -68.1 -39.9 10.7 34.5 -5.3 54 59 B V H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.962 113.6 42.8 -55.7 -54.4 10.8 32.2 -2.2 55 60 B F H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.815 109.9 54.2 -70.6 -31.6 13.1 34.6 -0.4 56 61 B T H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.895 111.0 49.4 -66.6 -36.9 11.3 37.8 -1.3 57 62 B G H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.935 112.1 46.1 -62.7 -50.1 8.1 36.1 0.1 58 63 B L H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.874 108.5 58.1 -59.8 -37.8 9.9 35.2 3.3 59 64 B T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 360,-0.4 0.921 105.6 49.2 -57.3 -48.1 11.4 38.7 3.5 60 65 B L H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.922 114.2 45.2 -55.4 -46.1 7.9 40.2 3.5 61 66 B L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.850 111.8 49.2 -76.8 -36.3 6.7 37.9 6.2 62 67 B D H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.863 110.1 53.4 -68.0 -35.3 9.7 38.2 8.5 63 68 B T H X S+ 0 0 8 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.941 108.4 50.1 -58.1 -48.8 9.3 42.0 8.1 64 69 B L H X>S+ 0 0 2 -4,-2.2 5,-2.7 1,-0.2 4,-2.4 0.914 109.6 51.7 -53.2 -46.3 5.7 41.6 9.2 65 70 B Q H <>S+ 0 0 1 -4,-2.2 5,-3.2 3,-0.2 -1,-0.2 0.870 115.5 41.2 -58.7 -41.1 6.9 39.5 12.2 66 71 B N H <5S+ 0 0 8 -4,-2.0 -2,-0.2 27,-0.2 -1,-0.2 0.926 122.0 37.1 -71.6 -49.1 9.4 42.3 13.2 67 72 B V H <5S- 0 0 43 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.841 141.3 -2.0 -79.1 -36.4 7.3 45.4 12.7 68 73 B I T X5S+ 0 0 12 -4,-2.4 4,-2.1 -5,-0.3 -3,-0.2 0.728 120.0 62.3-123.7 -47.9 3.9 44.0 13.8 69 74 B G H >>4 S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.845 100.4 64.5 -58.7 -31.8 5.4 43.6 19.2 72 77 B S H 3< S+ 0 0 17 -4,-2.1 -2,-0.2 1,-0.3 4,-0.2 0.728 100.7 52.4 -63.6 -20.4 1.7 42.8 19.1 73 78 B L H X< S+ 0 0 2 -3,-1.6 3,-1.0 -4,-0.6 -1,-0.3 0.668 88.3 82.9 -86.4 -19.0 2.4 40.1 21.8 74 79 B M G X< S+ 0 0 45 -3,-1.2 3,-1.7 -4,-0.6 -2,-0.1 0.873 85.2 52.5 -59.7 -44.6 4.1 42.4 24.2 75 80 B P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.731 107.8 55.4 -65.7 -16.4 1.1 43.9 26.0 76 81 B D G < S+ 0 0 44 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.299 78.0 133.2 -98.0 7.5 -0.2 40.4 26.7 77 82 B A < - 0 0 26 -3,-1.7 -3,-0.0 1,-0.1 6,-0.0 -0.333 46.8-154.3 -61.7 136.4 3.0 39.2 28.5 78 83 B L S S+ 0 0 72 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 0.737 77.5 24.8 -82.2 -26.2 2.4 37.3 31.8 79 84 B T S > S- 0 0 15 1,-0.1 4,-1.4 -68,-0.0 -1,-0.1 -0.911 76.5-118.4-134.3 160.2 5.8 38.2 33.3 80 85 B P H > S+ 0 0 61 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.800 115.9 58.4 -66.6 -28.3 8.4 41.0 32.8 81 86 B H H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.875 102.2 53.0 -68.9 -38.1 10.9 38.3 31.7 82 87 B E H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.902 104.6 55.8 -61.6 -42.4 8.6 37.3 28.9 83 88 B E H X S+ 0 0 59 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.912 109.3 47.2 -53.1 -44.1 8.5 41.0 27.8 84 89 B A H X S+ 0 0 2 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.874 111.2 50.0 -67.2 -40.0 12.3 40.9 27.6 85 90 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.2 0.923 107.1 54.7 -64.4 -43.2 12.3 37.6 25.6 86 91 B L H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.807 103.4 57.3 -61.0 -29.8 9.8 39.1 23.2 87 92 B S H X S+ 0 0 7 -4,-1.2 4,-1.9 2,-0.2 419,-0.3 0.874 107.8 46.5 -65.9 -41.6 12.3 41.9 22.7 88 93 B N H X S+ 0 0 1 -4,-1.5 4,-2.8 -3,-0.2 -2,-0.2 0.927 111.1 52.2 -61.3 -46.6 14.9 39.4 21.6 89 94 B I H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.926 109.4 49.7 -56.9 -46.3 12.3 37.6 19.3 90 95 B S H X S+ 0 0 8 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.918 111.6 48.0 -59.8 -47.3 11.5 41.0 17.7 91 96 B F H X S+ 0 0 0 -4,-1.9 4,-1.9 411,-0.3 -1,-0.2 0.913 109.6 52.6 -60.3 -44.9 15.1 41.8 17.1 92 97 B M H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.825 102.9 58.1 -64.7 -29.8 15.8 38.3 15.6 93 98 B E H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.908 106.1 50.6 -60.9 -41.8 12.9 38.7 13.2 94 99 B A H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.906 110.4 49.1 -57.9 -43.9 14.8 41.8 11.9 95 100 B V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.906 110.2 51.0 -62.6 -42.7 17.9 39.6 11.6 96 101 B H H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.967 113.4 44.1 -58.5 -52.7 15.9 37.0 9.7 97 102 B A H >X S+ 0 0 1 -4,-2.7 4,-0.9 1,-0.2 3,-0.6 0.892 112.7 52.8 -58.8 -42.1 14.5 39.6 7.3 98 103 B R H >X S+ 0 0 19 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.877 100.1 63.0 -62.0 -39.1 18.0 41.2 6.9 99 104 B S H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.814 94.7 59.0 -64.2 -31.0 19.6 37.9 6.0 100 105 B Y H > - 0 0 107 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.765 28.7-130.8 -87.6 133.1 21.4 40.3 -10.0 110 115 B T H 3> S+ 0 0 102 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.851 106.4 54.0 -51.2 -44.8 19.7 43.4 -8.8 111 116 B K H 3> S+ 0 0 138 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.888 111.3 45.3 -57.3 -43.3 17.2 43.4 -11.8 112 117 B D H <> S+ 0 0 61 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.879 112.5 51.4 -69.3 -41.1 16.2 39.8 -11.0 113 118 B V H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.933 110.5 48.1 -60.4 -48.5 15.8 40.5 -7.3 114 119 B D H X S+ 0 0 55 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.871 109.8 53.1 -62.6 -36.7 13.6 43.6 -8.0 115 120 B A H X S+ 0 0 60 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.868 108.4 50.7 -64.4 -37.8 11.5 41.5 -10.4 116 121 B A H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 108.5 51.1 -65.6 -43.7 11.0 38.9 -7.6 117 122 B Y H X S+ 0 0 28 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 112.1 48.3 -56.9 -42.1 9.9 41.6 -5.1 118 123 B A H X S+ 0 0 54 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.923 108.9 52.4 -64.6 -46.6 7.4 42.8 -7.8 119 124 B W H X S+ 0 0 58 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.916 110.6 48.6 -52.3 -47.2 6.2 39.2 -8.4 120 125 B S H >< S+ 0 0 5 -4,-2.6 3,-1.1 1,-0.2 7,-0.2 0.913 107.2 55.2 -61.6 -45.0 5.6 38.9 -4.6 121 126 B E H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.1 39.9 -52.8 -39.8 3.8 42.2 -4.5 122 127 B E H 3< S+ 0 0 171 -4,-1.9 2,-0.7 -5,-0.1 -1,-0.2 0.406 87.8 111.1 -94.6 0.8 1.4 40.9 -7.2 123 128 B N S+ 0 0 70 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.920 86.3 48.8 -62.8 -51.9 -2.5 36.9 -4.5 125 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22.3 3.3 41.0 351 70 C H H 3> S+ 0 0 84 2,-0.2 4,-0.5 1,-0.1 -1,-0.3 0.964 110.7 35.1 -61.4 -53.4 19.1 1.5 42.2 352 71 C N H X> S+ 0 0 1 -3,-1.0 3,-1.3 -6,-0.3 4,-0.5 0.914 115.7 56.3 -65.0 -45.5 17.2 3.2 39.4 353 72 C R H >< S+ 0 0 106 -4,-2.1 3,-1.1 -6,-0.5 -1,-0.2 0.860 101.3 57.9 -55.4 -40.3 20.1 3.0 36.9 354 73 C A H 3< S+ 0 0 67 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.716 106.0 49.6 -64.7 -22.9 20.4 -0.8 37.3 355 74 C L H << S+ 0 0 32 -3,-1.3 -32,-1.9 -4,-0.5 2,-0.2 0.462 81.7 115.9 -97.2 -4.7 16.7 -1.2 36.2 356 75 C L E << +c 323 0A 5 -3,-1.1 -32,-0.2 -4,-0.5 3,-0.1 -0.504 31.7 167.9 -65.5 129.1 17.1 1.0 33.1 357 76 C R E - 0 0 69 -34,-2.2 2,-0.3 1,-0.4 -33,-0.2 0.551 59.6 -15.3-122.0 -18.4 16.6 -1.2 30.0 358 77 C G E -c 324 0A 0 -35,-0.7 -33,-2.7 26,-0.2 -1,-0.4 -0.965 56.7-127.0-176.9 165.9 16.3 1.4 27.2 359 78 C V E -cd 325 386A 0 26,-2.3 28,-3.0 -2,-0.3 29,-0.8 -0.985 9.7-170.9-133.8 139.7 15.8 5.1 26.3 360 79 C I E -cd 326 388A 4 -35,-3.1 -33,-2.3 -2,-0.4 2,-0.4 -0.992 17.6-161.0-122.2 134.5 13.4 7.0 24.0 361 80 C A E -cd 327 389A 0 27,-2.2 29,-2.0 -2,-0.4 2,-0.2 -0.901 5.7-162.6-120.9 147.3 14.1 10.7 23.5 362 81 C S E +cd 328 390A 4 -35,-1.8 -33,-1.4 -2,-0.4 2,-0.3 -0.716 32.2 107.4-117.8 173.1 11.9 13.5 22.3 363 82 C G E - d 0 391A 17 27,-1.2 29,-2.2 -2,-0.2 2,-0.3 -0.934 64.3 -56.0 161.7-136.3 12.7 17.0 20.9 364 83 C N > - 0 0 7 -2,-0.3 3,-2.1 27,-0.2 8,-0.1 -0.971 22.4-141.3-150.8 128.5 12.5 18.7 17.6 365 84 C R G > S+ 0 0 45 -2,-0.3 3,-2.3 1,-0.3 6,-0.2 0.755 98.9 74.7 -56.9 -31.4 14.2 17.9 14.2 366 85 C N G 3 S+ 0 0 10 1,-0.3 -1,-0.3 -182,-0.1 -178,-0.1 0.568 80.4 72.7 -61.0 -10.0 14.8 21.6 13.7 367 86 C F G X S- 0 0 57 -3,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.433 89.9-158.0 -85.2 1.1 17.6 21.3 16.3 368 87 C G G X + 0 0 13 -3,-2.3 3,-2.0 1,-0.3 -1,-0.3 -0.393 68.6 6.9 69.1-127.7 19.7 19.5 13.7 369 88 C E G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -2,-0.2 -87,-0.1 0.775 129.4 61.2 -63.5 -25.4 22.4 17.2 15.1 370 89 C A G X S+ 0 0 42 -3,-1.6 3,-2.5 -5,-0.1 2,-0.4 0.484 72.2 132.1 -78.9 -1.7 21.1 17.9 18.6 371 90 C Y T < S- 0 0 8 -3,-2.0 -8,-0.1 1,-0.3 -6,-0.1 -0.334 88.7 -8.0 -58.4 111.2 17.7 16.3 17.7 372 91 C G T >> S+ 0 0 1 -2,-0.4 3,-1.8 -10,-0.2 4,-0.9 0.693 85.4 156.7 74.6 21.5 16.9 13.9 20.6 373 92 C R H <> + 0 0 82 -3,-2.5 4,-2.7 1,-0.3 5,-0.2 0.785 62.8 67.5 -47.5 -38.6 20.4 14.4 22.1 374 93 C A H 3> S+ 0 0 0 -36,-0.3 4,-2.4 -12,-0.3 -1,-0.3 0.851 99.7 50.9 -53.8 -38.0 19.2 13.3 25.5 375 94 C G H <> S+ 0 0 0 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.901 110.7 47.2 -65.7 -43.8 18.6 9.8 24.2 376 95 C D H X S+ 0 0 44 -4,-0.9 4,-2.3 2,-0.2 5,-0.2 0.918 114.4 47.4 -63.7 -44.9 22.1 9.6 22.7 377 96 C V H X S+ 0 0 52 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.931 115.3 43.6 -64.8 -49.2 23.8 10.9 25.9 378 97 C I H X S+ 0 0 6 -4,-2.4 4,-2.8 -5,-0.2 6,-0.3 0.916 113.9 51.8 -62.1 -45.2 21.8 8.6 28.3 379 98 C A H X>S+ 0 0 11 -4,-2.4 4,-1.4 -5,-0.2 5,-1.2 0.920 113.3 42.8 -58.6 -49.1 22.3 5.6 26.0 380 99 C R H <5S+ 0 0 209 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.902 118.5 44.7 -65.6 -43.3 26.1 6.0 25.7 381 100 C K H <5S+ 0 0 164 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 122.3 34.8 -70.0 -41.4 26.6 6.8 29.4 382 101 C C H <5S- 0 0 34 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.522 103.6-120.9 -96.3 -7.2 24.4 4.0 30.8 383 102 C G T <5 + 0 0 70 -4,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.855 68.2 125.9 69.5 38.4 25.0 1.3 28.2 384 103 C V < - 0 0 23 -5,-1.2 -1,-0.2 -6,-0.3 -26,-0.2 -0.871 64.4 -93.8-123.0 157.1 21.4 0.9 27.0 385 104 C P - 0 0 68 0, 0.0 -26,-2.3 0, 0.0 2,-0.8 -0.455 24.7-130.0 -73.9 142.5 19.9 1.1 23.5 386 105 C W E -d 359 0A 81 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.843 33.2-179.2 -84.7 108.3 18.4 4.3 22.2 387 106 C L E - 0 0 67 -28,-3.0 2,-0.3 -2,-0.8 -27,-0.2 0.813 49.9 -5.3 -88.0 -36.0 15.1 2.9 21.0 388 107 C Y E -d 360 0A 62 -29,-0.8 -27,-2.2 2,-0.0 2,-0.4 -0.982 47.3-152.8-162.0 164.2 13.2 5.7 19.4 389 108 C R E +d 361 0A 82 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.989 23.3 169.7-147.7 122.7 13.2 9.5 18.8 390 109 C F E -d 362 0A 1 -29,-2.0 -27,-1.2 -2,-0.4 2,-0.5 -0.901 29.2-109.6-137.9 170.9 10.1 11.6 18.3 391 110 C E E > -d 363 0A 17 -2,-0.3 3,-2.6 -29,-0.2 -27,-0.2 -0.870 64.0 -50.8-108.7 131.2 9.0 15.3 18.1 392 111 C L T 3 S- 0 0 13 -29,-2.2 -94,-0.1 -2,-0.5 -2,-0.1 -0.171 124.7 -9.1 54.9-124.6 7.0 17.3 20.6 393 112 C M T 3 S- 0 0 0 -131,-0.1 -1,-0.3 1,-0.1 -92,-0.1 0.483 108.9-111.9 -86.4 1.0 3.9 15.4 21.7 394 113 C G < - 0 0 0 -3,-2.6 -1,-0.1 4,-0.1 2,-0.1 0.414 22.7-100.3 83.4 140.7 4.4 12.7 18.9 395 114 C T > - 0 0 40 -132,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.311 38.9-100.4 -79.9 171.8 2.4 11.9 15.8 396 115 C Q H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.882 127.2 55.0 -58.5 -39.0 -0.1 9.0 15.5 397 116 C S H > S+ 0 0 38 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.931 105.6 51.6 -59.1 -47.4 2.7 7.1 13.7 398 117 C D H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 110.5 48.8 -54.4 -45.0 5.0 7.7 16.7 399 118 C I H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 115.0 43.8 -61.3 -51.1 2.3 6.4 19.1 400 119 C E H X S+ 0 0 107 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.911 115.4 48.7 -59.9 -46.5 1.7 3.2 16.9 401 120 C N H X S+ 0 0 82 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.891 114.3 45.3 -61.5 -42.6 5.5 2.7 16.4 402 121 C V H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.873 111.4 52.7 -72.8 -38.1 6.2 3.0 20.2 403 122 C R H X S+ 0 0 105 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.951 116.8 38.8 -57.4 -51.7 3.2 0.8 21.1 404 123 C K H X S+ 0 0 136 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 116.5 52.6 -65.1 -44.1 4.5 -2.0 18.8 405 124 C G H X S+ 0 0 34 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.870 110.0 46.3 -61.4 -42.2 8.1 -1.3 19.7 406 125 C V H X S+ 0 0 12 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.916 111.3 50.6 -70.8 -45.1 7.7 -1.6 23.5 407 126 C T H X S+ 0 0 69 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.902 114.5 44.9 -58.2 -44.5 5.5 -4.8 23.4 408 127 C E H X S+ 0 0 69 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.825 108.1 59.0 -69.1 -32.6 8.2 -6.4 21.2 409 128 C F H < S+ 0 0 29 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.893 107.2 45.2 -63.9 -41.9 11.0 -5.1 23.4 410 129 C W H >< S+ 0 0 69 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.705 106.3 61.0 -77.1 -20.4 9.6 -6.9 26.5 411 130 C Q H 3< S+ 0 0 143 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.7 43.3 -68.9 -33.1 9.0 -10.1 24.4 412 131 C R T 3< S+ 0 0 170 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.111 104.6 88.9 -98.1 19.6 12.8 -10.1 23.8 413 132 C Q < 0 0 56 -3,-0.8 -3,-0.0 1,-0.1 -4,-0.0 -0.843 360.0 360.0-114.9 151.6 13.5 -9.3 27.4 414 133 C P 0 0 164 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.955 360.0 360.0 -60.8 360.0 14.0 -11.7 30.4 415 !* 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 0.0 416 6 A I 0 0 89 0, 0.0 2,-0.4 0, 0.0 -352,-0.1 0.000 360.0 360.0 360.0 141.8 3.6 46.5 5.1 417 7 A S - 0 0 76 -354,-0.1 3,-0.1 -353,-0.0 2,-0.1 -0.903 360.0-101.4-117.3 139.6 6.4 46.2 2.6 418 8 A A - 0 0 19 -2,-0.4 -358,-0.2 -301,-0.1 2,-0.1 -0.339 42.9-117.6 -56.1 128.2 9.4 43.8 2.6 419 9 A I - 0 0 11 -360,-0.4 2,-0.5 76,-0.1 -1,-0.1 -0.473 25.3-158.6 -69.8 139.8 12.5 45.5 4.0 420 10 A N > - 0 0 22 3,-0.2 3,-1.4 -2,-0.1 76,-0.1 -0.920 13.8-174.2-125.8 105.6 15.3 45.8 1.5 421 11 A W T 3 S+ 0 0 5 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.465 85.1 65.4 -78.7 -0.5 18.8 46.2 3.0 422 12 A N T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -312,-0.0 2,-0.1 0.315 97.1 58.0 -99.5 5.6 20.2 46.7 -0.6 423 13 A K S < S+ 0 0 112 -3,-1.4 2,-0.3 0, 0.0 -1,-0.2 -0.564 76.2 177.9-128.6 66.6 18.2 49.9 -0.9 424 14 A I - 0 0 41 -3,-0.3 3,-0.2 1,-0.1 -3,-0.1 -0.537 17.2-170.5 -74.5 132.4 19.5 52.0 2.0 425 15 A S S S+ 0 0 103 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.815 81.7 28.4 -89.0 -40.3 18.0 55.5 2.3 426 16 A D >> - 0 0 21 1,-0.1 3,-1.8 0, 0.0 4,-0.7 -0.974 69.6-151.6-126.2 115.1 20.3 56.7 5.0 427 17 A D H 3> S+ 0 0 112 -2,-0.5 4,-2.3 1,-0.3 3,-0.4 0.760 94.0 68.5 -49.7 -34.9 23.9 55.2 5.2 428 18 A K H 3> S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.800 90.9 61.3 -60.6 -31.4 23.9 55.8 8.9 429 19 A D H <> S+ 0 0 0 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.916 109.4 40.6 -60.4 -44.4 21.2 53.2 9.5 430 20 A L H X S+ 0 0 45 -4,-0.7 4,-2.9 -3,-0.4 5,-0.2 0.915 113.9 53.7 -70.6 -44.7 23.4 50.5 8.1 431 21 A E H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 114.9 40.1 -53.7 -47.1 26.5 51.8 9.8 432 22 A V H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.905 112.2 55.5 -75.6 -40.6 24.7 51.8 13.2 433 23 A W H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.957 113.1 43.9 -48.3 -53.9 23.0 48.4 12.5 434 24 A N H X S+ 0 0 21 -4,-2.9 4,-1.9 314,-0.2 -2,-0.2 0.880 113.8 48.5 -63.8 -42.8 26.5 46.9 11.8 435 25 A R H X S+ 0 0 55 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.934 116.2 42.9 -63.8 -45.3 28.2 48.5 14.8 436 26 A L H < S+ 0 0 3 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.905 117.4 43.4 -69.9 -44.4 25.5 47.5 17.3 437 27 A T H >< S+ 0 0 2 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.879 112.6 51.6 -71.0 -37.6 25.0 43.9 16.1 438 28 A S H 3< S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.690 106.7 56.9 -73.7 -16.3 28.7 43.2 15.7 439 29 A N T 3< S+ 0 0 9 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.258 78.3 144.6 -91.6 10.0 29.2 44.4 19.3 440 30 A F < + 0 0 35 -3,-1.4 2,-0.3 -5,-0.0 -3,-0.1 -0.243 20.2 161.9 -51.0 134.5 26.6 41.9 20.6 441 31 A W - 0 0 11 156,-0.0 -2,-0.1 66,-0.0 69,-0.0 -0.948 27.6-149.9-147.5 162.1 27.6 40.6 24.0 442 32 A L > - 0 0 5 -2,-0.3 3,-2.0 1,-0.0 4,-0.3 -0.969 30.2-118.5-130.6 151.5 26.0 38.8 27.0 443 33 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 5,-0.3 0.794 111.5 69.5 -62.6 -24.5 27.0 39.1 30.7 444 34 A E G 3 S+ 0 0 97 1,-0.2 4,-0.1 3,-0.1 -3,-0.0 0.728 88.6 65.1 -58.7 -24.5 27.8 35.4 30.7 445 35 A K G < S+ 0 0 134 -3,-2.0 -1,-0.2 2,-0.1 149,-0.0 0.592 88.7 79.4 -77.1 -11.1 30.8 36.2 28.4 446 36 A V S < S- 0 0 16 -3,-1.6 2,-2.6 -4,-0.3 3,-0.2 -0.882 85.4-129.7-100.1 123.8 32.4 38.2 31.3 447 37 A P > + 0 0 64 0, 0.0 3,-1.3 0, 0.0 143,-0.1 -0.398 42.9 161.6 -72.1 71.6 34.3 36.2 34.0 448 38 A L G > + 0 0 8 -2,-2.6 3,-1.8 -5,-0.3 4,-0.2 0.694 61.5 72.2 -67.1 -24.1 32.5 37.9 36.8 449 39 A S G > S+ 0 0 71 1,-0.3 3,-1.4 -3,-0.2 -1,-0.3 0.765 83.2 71.1 -64.8 -23.7 33.3 35.2 39.3 450 40 A N G < S+ 0 0 107 -3,-1.3 -1,-0.3 1,-0.2 4,-0.3 0.483 90.7 62.6 -68.6 -2.6 36.9 36.5 39.3 451 41 A D G <> S+ 0 0 3 -3,-1.8 4,-2.8 2,-0.1 -1,-0.2 0.537 74.7 91.5 -96.7 -13.1 35.6 39.5 41.2 452 42 A I H <> S+ 0 0 75 -3,-1.4 4,-1.9 1,-0.2 -2,-0.1 0.900 86.4 48.8 -52.8 -47.7 34.5 37.6 44.3 453 43 A P H > S+ 0 0 91 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.911 113.6 47.9 -60.8 -37.7 37.8 38.0 46.1 454 44 A A H >> S+ 0 0 24 -4,-0.3 3,-0.6 1,-0.2 4,-0.6 0.900 107.5 55.4 -67.4 -41.9 37.7 41.8 45.3 455 45 A W H >< S+ 0 0 11 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.858 102.6 57.8 -55.2 -40.5 34.1 42.1 46.5 456 46 A Q H 3< S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 101.9 54.3 -61.4 -33.4 35.1 40.6 49.9 457 47 A T H << S+ 0 0 102 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.578 88.1 99.6 -80.9 -12.3 37.7 43.4 50.5 458 48 A L S << S- 0 0 8 -3,-1.0 -3,-0.0 -4,-0.6 2,-0.0 -0.503 80.2-112.0 -73.3 144.8 35.1 46.1 49.9 459 49 A T > - 0 0 70 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.256 27.9-107.0 -69.1 163.3 33.6 47.7 53.0 460 50 A V H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 122.8 52.4 -56.8 -42.5 29.9 47.2 53.9 461 51 A V H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 110.1 47.0 -64.2 -38.3 29.2 50.8 52.9 462 52 A E H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 112.9 49.7 -68.2 -41.3 30.9 50.2 49.5 463 53 A Q H X S+ 0 0 30 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.919 111.6 48.5 -62.2 -46.2 29.0 47.0 49.0 464 54 A Q H X S+ 0 0 70 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.885 110.6 51.6 -60.3 -43.2 25.7 48.7 49.8 465 55 A L H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.933 107.9 52.0 -58.2 -49.5 26.6 51.5 47.4 466 56 A T H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.883 111.7 45.8 -56.3 -44.9 27.3 49.1 44.6 467 57 A M H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.867 113.5 48.7 -69.3 -36.9 23.9 47.3 45.0 468 58 A R H X S+ 0 0 47 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.879 111.0 51.3 -71.0 -38.3 22.0 50.6 45.3 469 59 A V H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.943 114.2 43.1 -59.1 -49.5 23.7 51.9 42.1 470 60 A F H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.824 109.4 54.1 -75.5 -32.9 22.8 48.8 40.1 471 61 A T H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.879 110.1 50.7 -64.4 -37.8 19.2 48.4 41.3 472 62 A G H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-0.3 0.936 110.3 47.8 -61.3 -48.4 18.7 52.0 40.2 473 63 A L H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.845 105.5 60.4 -62.9 -33.1 20.2 51.3 36.8 474 64 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -470,-0.5 0.886 104.4 49.3 -59.6 -43.2 18.0 48.1 36.4 475 65 A L H X S+ 0 0 6 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.913 114.2 45.0 -59.9 -44.6 14.9 50.2 36.7 476 66 A L H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.872 112.5 48.6 -75.3 -39.0 16.1 52.6 34.1 477 67 A D H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.845 110.6 53.6 -67.3 -33.1 17.4 50.0 31.6 478 68 A T H X S+ 0 0 9 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.929 108.0 50.1 -63.5 -45.7 14.0 48.2 32.0 479 69 A L H X>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.2 4,-2.3 0.903 109.7 51.4 -54.7 -45.0 12.3 51.5 31.2 480 70 A Q H <>S+ 0 0 1 -4,-2.1 5,-2.8 3,-0.2 -2,-0.2 0.887 114.5 43.4 -61.9 -39.6 14.5 51.8 28.1 481 71 A N H <5S+ 0 0 7 -4,-2.1 -2,-0.2 27,-0.2 -1,-0.2 0.918 122.8 33.8 -70.2 -46.0 13.6 48.3 27.0 482 72 A V H <5S+ 0 0 38 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.890 140.5 0.5 -84.5 -41.6 9.9 48.4 27.6 483 73 A I T X5S+ 0 0 11 -4,-2.3 4,-2.3 -5,-0.3 -3,-0.2 0.771 119.8 62.3-116.6 -47.4 8.9 52.0 26.8 484 74 A G H >>4 S+ 0 0 28 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.874 100.9 62.6 -57.2 -36.8 9.7 51.2 21.4 487 77 A S H 3< S+ 0 0 16 -4,-2.3 4,-0.2 1,-0.3 -2,-0.2 0.759 100.8 54.2 -62.0 -23.8 8.3 54.7 21.8 488 78 A L H X< S+ 0 0 2 -3,-1.0 3,-0.9 -4,-0.7 -1,-0.3 0.657 87.9 82.6 -81.0 -17.4 10.7 55.9 19.1 489 79 A M G X< S+ 0 0 42 -3,-1.5 3,-1.4 -4,-0.5 -1,-0.2 0.850 85.2 52.3 -63.4 -41.3 9.5 53.3 16.6 490 80 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.735 108.5 54.9 -65.7 -18.5 6.4 55.1 15.2 491 81 A D G < S+ 0 0 38 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.282 79.7 132.0 -96.2 8.5 8.7 58.2 14.5 492 82 A A < - 0 0 24 -3,-1.4 -3,-0.0 1,-0.1 4,-0.0 -0.350 47.9-154.1 -65.7 140.5 11.2 56.3 12.4 493 83 A L S S+ 0 0 78 1,-0.1 -1,-0.1 -2,-0.0 3,-0.0 0.722 76.0 23.7 -85.5 -25.2 12.2 57.9 9.1 494 84 A T S > S- 0 0 15 1,-0.1 4,-1.4 -68,-0.0 5,-0.1 -0.936 76.0-115.8-137.7 159.4 13.2 54.6 7.4 495 85 A P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.841 116.9 56.1 -61.5 -32.9 12.4 50.8 7.6 496 86 A H H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.869 102.8 54.3 -69.5 -35.9 16.1 50.2 8.5 497 87 A E H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 105.1 54.0 -60.5 -42.0 15.8 52.6 11.4 498 88 A E H X S+ 0 0 61 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.899 109.5 48.3 -57.5 -44.3 12.9 50.6 12.7 499 89 A A H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 3,-0.2 0.913 110.0 51.0 -62.3 -44.5 15.0 47.5 12.6 500 90 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.894 107.4 53.9 -61.4 -39.7 17.9 49.2 14.4 501 91 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.828 102.9 57.3 -64.8 -32.3 15.5 50.3 17.1 502 92 A S H X S+ 0 0 5 -4,-1.4 4,-2.0 -3,-0.2 -411,-0.3 0.909 109.2 45.7 -60.0 -45.3 14.5 46.6 17.5 503 93 A N H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.934 111.3 52.2 -60.8 -47.8 18.1 45.9 18.2 504 94 A I H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.921 109.1 49.7 -56.2 -49.0 18.4 48.8 20.6 505 95 A S H X S+ 0 0 6 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.927 111.4 48.4 -54.2 -49.9 15.4 47.7 22.6 506 96 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 -419,-0.3 3,-0.4 0.910 109.0 53.5 -61.3 -40.9 16.7 44.1 22.9 507 97 A M H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.815 101.2 60.0 -66.8 -28.0 20.1 45.3 24.1 508 98 A E H X S+ 0 0 2 -4,-1.8 4,-2.4 -3,-0.3 -1,-0.2 0.879 104.1 50.9 -60.3 -40.5 18.4 47.4 26.8 509 99 A A H X S+ 0 0 2 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.887 109.1 50.8 -63.6 -38.9 17.0 44.0 28.1 510 100 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.934 109.3 50.5 -62.5 -46.1 20.6 42.7 28.0 511 101 A H H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.961 113.6 45.3 -53.9 -54.1 21.9 45.7 30.0 512 102 A A H >X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 3,-0.7 0.904 111.9 51.7 -56.0 -46.7 19.1 45.2 32.6 513 103 A R H 3X S+ 0 0 21 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.869 100.8 64.0 -58.6 -39.9 19.8 41.4 32.8 514 104 A S H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.805 94.9 57.4 -60.2 -33.5 23.5 42.0 33.4 515 105 A Y H S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.5 0.941 113.9 47.4 -56.2 -50.0 26.3 40.9 39.0 519 109 A F H X5S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.903 111.1 51.1 -60.0 -45.7 23.9 40.3 41.9 520 110 A S H <5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.914 118.0 37.6 -57.7 -47.6 23.8 36.6 41.3 521 111 A T H <5S+ 0 0 49 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.934 131.3 19.5 -71.8 -49.8 27.6 36.2 41.2 522 112 A L H <5S+ 0 0 11 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.799 107.5 65.1 -98.2 -33.0 28.7 38.6 43.9 523 113 A C S <> - 0 0 117 -2,-0.1 4,-2.3 1,-0.1 3,-0.5 -0.802 28.3-129.6 -93.1 134.1 23.7 38.1 49.0 525 115 A T H 3> S+ 0 0 92 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.887 104.9 53.0 -48.6 -53.3 20.0 37.9 48.1 526 116 A K H 3> S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 112.1 45.5 -54.1 -41.8 18.7 39.6 51.3 527 117 A D H <> S+ 0 0 59 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.880 111.2 52.3 -70.0 -41.0 20.9 42.7 50.7 528 118 A V H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.939 109.5 50.2 -57.5 -47.7 20.0 42.8 47.0 529 119 A D H X S+ 0 0 61 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.814 109.3 51.1 -62.3 -33.3 16.3 42.8 48.0 530 120 A A H X S+ 0 0 59 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.847 109.0 51.1 -69.8 -35.7 17.0 45.7 50.5 531 121 A A H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.872 110.2 49.3 -69.7 -37.3 18.8 47.6 47.7 532 122 A Y H X S+ 0 0 25 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.906 111.9 48.9 -63.7 -43.7 15.7 47.1 45.5 533 123 A A H X S+ 0 0 50 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.898 109.5 51.4 -63.1 -42.8 13.5 48.3 48.3 534 124 A W H X S+ 0 0 55 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.874 108.5 53.0 -59.2 -39.4 15.7 51.4 48.8 535 125 A S H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.888 105.3 52.9 -65.2 -42.2 15.4 52.1 45.1 536 126 A E H < S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.0 42.9 -57.4 -34.9 11.6 52.0 45.2 537 127 A E H < S+ 0 0 156 -4,-1.3 2,-0.4 -5,-0.1 -1,-0.2 0.663 85.4 107.1 -91.4 -19.2 11.6 54.5 48.0 538 128 A N X - 0 0 8 -4,-1.3 4,-1.8 -3,-0.2 5,-0.2 -0.495 56.4-157.0 -69.3 116.0 14.2 56.9 46.7 539 129 A A H > S+ 0 0 50 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.885 87.3 51.2 -65.5 -45.3 12.4 60.0 45.5 540 130 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.947 110.6 49.6 -58.6 -47.3 15.0 61.3 43.0 541 131 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 114.5 44.4 -53.6 -48.4 15.3 57.9 41.2 542 132 A Q H X S+ 0 0 58 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.848 111.5 52.7 -70.2 -35.5 11.5 57.7 40.9 543 133 A R H X S+ 0 0 110 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.913 109.5 50.2 -64.0 -43.6 11.1 61.4 39.8 544 134 A K H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.941 111.8 46.4 -58.4 -51.3 13.7 60.8 37.1 545 135 A A H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.918 113.6 50.9 -58.1 -43.6 11.9 57.7 35.8 546 136 A Q H X S+ 0 0 119 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.905 110.7 46.7 -60.5 -47.8 8.6 59.6 36.0 547 137 A I H X S+ 0 0 20 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.914 115.7 45.5 -61.5 -46.5 9.8 62.6 34.0 548 138 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.950 113.5 49.1 -65.1 -48.1 11.4 60.4 31.3 549 139 A Q H X S+ 0 0 59 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.864 105.3 59.6 -60.4 -36.2 8.4 58.2 31.0 550 140 A Q H < S+ 0 0 129 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.896 107.7 44.5 -61.9 -40.8 6.1 61.2 30.7 551 141 A H H >< S+ 0 0 38 -4,-1.5 3,-0.7 -3,-0.4 5,-0.3 0.865 110.9 53.8 -70.7 -36.2 8.0 62.4 27.6 552 142 A Y H 3< S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.835 112.1 45.1 -62.6 -34.6 8.0 58.8 26.1 553 143 A R T 3< S+ 0 0 175 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.452 99.6 98.3 -89.0 -3.8 4.1 58.7 26.6 554 144 A G S < S- 0 0 34 -3,-0.7 -3,-0.1 -4,-0.3 6,-0.0 -0.043 82.1-116.3 -75.0-178.3 3.7 62.2 25.2 555 145 A D S S+ 0 0 159 1,-0.0 -1,-0.1 4,-0.0 -3,-0.1 0.329 85.8 95.3-104.1 5.1 2.7 63.2 21.6 556 146 A D > - 0 0 41 -5,-0.3 4,-1.2 1,-0.2 3,-0.4 -0.868 54.0-167.2-102.8 106.8 5.9 65.0 20.7 557 147 A P H > S+ 0 0 41 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.846 86.4 53.6 -60.3 -37.2 8.3 62.7 18.9 558 148 A L H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.832 103.5 54.9 -71.1 -32.7 11.3 65.0 19.2 559 149 A K H > S+ 0 0 62 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.827 102.2 58.9 -70.8 -30.9 11.0 65.3 23.0 560 150 A K H X S+ 0 0 22 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.912 106.5 47.7 -59.3 -44.9 11.1 61.5 23.3 561 151 A K H X S+ 0 0 2 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.899 110.8 51.0 -65.0 -41.4 14.6 61.6 21.5 562 152 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.955 111.5 47.6 -59.4 -52.1 15.8 64.3 23.8 563 153 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.896 111.7 50.4 -55.1 -45.4 14.7 62.4 26.9 564 154 A S H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.916 112.3 45.6 -62.7 -44.7 16.3 59.1 25.7 565 155 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.916 114.6 49.5 -65.0 -42.5 19.7 60.8 24.9 566 156 A F H X>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.2 4,-0.7 0.907 109.4 52.1 -63.3 -42.6 19.6 62.6 28.3 567 157 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 -5,-0.2 -2,-0.2 0.964 124.0 22.7 -58.5 -51.8 18.8 59.4 30.2 568 158 A E H <5S+ 0 0 2 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.569 124.2 46.3-105.6 -9.7 21.6 57.2 28.8 569 159 A S H <5S+ 0 0 5 -4,-2.4 102,-0.3 -5,-0.2 -1,-0.2 0.402 135.2 7.6-101.7 1.5 24.3 59.6 27.6 570 160 A F T ><5S+ 0 0 0 -4,-0.7 3,-1.4 -5,-0.3 4,-0.2 0.503 123.0 49.6-140.3 -65.4 24.1 61.7 30.8 571 161 A L T > > S+ 0 0 2 -3,-1.4 4,-1.2 1,-0.3 -1,-0.3 0.623 77.9 66.4 -70.2 -11.0 26.8 58.3 34.6 574 164 A S H <4 S+ 0 0 0 -3,-1.7 4,-0.4 -4,-0.2 -1,-0.3 0.855 113.3 35.9 -68.1 -34.2 26.0 58.9 38.3 575 165 A G H X4 S+ 0 0 1 -3,-1.4 3,-1.1 -4,-0.4 -2,-0.2 0.904 114.2 54.0 -81.1 -47.4 25.8 55.0 38.4 576 166 A F H 3X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -3,-0.2 0.740 93.6 74.7 -62.9 -24.0 28.6 54.3 35.9 577 167 A W H 3X S+ 0 0 2 -4,-1.2 4,-2.5 -5,-0.2 -1,-0.2 0.897 89.5 58.7 -53.0 -42.9 31.1 56.4 37.9 578 168 A L H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.4 5,-0.2 0.926 105.2 43.1 -61.6 -54.6 31.4 53.7 40.6 579 169 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.835 114.9 53.5 -62.2 -29.0 32.6 50.7 38.5 580 170 A M H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.895 109.0 48.8 -66.8 -41.0 35.0 53.2 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