==== 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 3N3B . 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 . 826 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.7 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 . 1 0.1 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 . 19 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 1 3 1 2 2 0 7 1 3 1 0 0 2 0 0 0 0 2 0 0 0 0 4 2 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 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 5 B R 0 0 234 0, 0.0 2,-0.4 0, 0.0 546,-0.0 0.000 360.0 360.0 360.0 -45.9 -4.5 -52.1 36.2 2 6 B I - 0 0 32 481,-0.0 2,-0.4 2,-0.0 478,-0.1 -0.831 360.0-162.8-105.3 133.6 -8.0 -50.5 35.7 3 7 B S - 0 0 83 -2,-0.4 2,-0.4 476,-0.1 534,-0.0 -0.892 31.0-104.8-112.0 145.5 -9.6 -48.0 38.1 4 8 B A - 0 0 13 -2,-0.4 472,-0.2 529,-0.1 471,-0.1 -0.552 42.6-119.0 -70.1 120.3 -13.3 -47.1 38.2 5 9 B I - 0 0 9 470,-0.5 2,-0.5 -2,-0.4 -1,-0.1 -0.318 24.6-161.2 -66.2 138.6 -13.8 -43.7 36.6 6 10 B N > - 0 0 23 3,-0.2 3,-0.9 1,-0.1 76,-0.1 -0.937 15.4-177.8-126.8 107.5 -15.3 -40.9 38.8 7 11 B W T 3 S+ 0 0 5 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 0.433 87.3 60.7 -82.6 -0.8 -16.8 -37.9 37.0 8 12 B N T 3 S+ 0 0 71 1,-0.2 -1,-0.2 518,-0.0 2,-0.2 0.379 98.5 59.4-101.9 -1.5 -17.5 -36.3 40.5 9 13 B K S < S+ 0 0 127 -3,-0.9 2,-0.3 0, 0.0 -3,-0.2 -0.615 78.9 178.4-121.7 68.9 -13.7 -36.4 41.3 10 14 B I - 0 0 43 -3,-0.2 3,-0.2 -2,-0.2 -3,-0.1 -0.568 20.9-174.6 -80.1 130.0 -12.4 -34.2 38.4 11 15 B S S S+ 0 0 100 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.844 80.4 28.7 -86.8 -42.0 -8.7 -33.4 38.3 12 16 B D >> - 0 0 19 1,-0.1 3,-1.6 0, 0.0 4,-0.7 -0.973 67.5-152.1-127.4 116.5 -8.8 -31.0 35.3 13 17 B D H 3> S+ 0 0 108 -2,-0.5 4,-2.1 1,-0.3 3,-0.4 0.766 93.5 66.7 -56.0 -31.7 -12.0 -28.9 34.7 14 18 B K H 3> S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.780 91.2 62.9 -62.4 -29.9 -11.2 -28.7 31.0 15 19 B D H <> S+ 0 0 0 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.911 109.8 38.8 -60.3 -45.1 -11.8 -32.5 30.7 16 20 B L H X S+ 0 0 48 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.861 114.5 54.8 -73.4 -38.7 -15.5 -32.1 31.7 17 21 B E H X S+ 0 0 58 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.914 114.2 40.0 -57.9 -47.1 -15.9 -28.8 29.8 18 22 B V H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.861 112.5 55.5 -74.3 -38.5 -14.7 -30.5 26.5 19 23 B W H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.3 5,-0.3 0.937 111.7 44.6 -56.0 -49.2 -16.7 -33.7 27.2 20 24 B N H X S+ 0 0 39 -4,-2.4 4,-1.7 1,-0.2 315,-0.2 0.867 115.3 47.5 -64.8 -39.3 -19.9 -31.7 27.6 21 25 B R H X S+ 0 0 41 -4,-1.7 4,-0.8 -5,-0.2 -2,-0.2 0.918 115.6 43.2 -68.8 -45.3 -19.2 -29.6 24.5 22 26 B L H < S+ 0 0 2 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.870 117.8 44.0 -70.7 -39.2 -18.3 -32.5 22.2 23 27 B T H >< S+ 0 0 3 -4,-2.2 3,-1.3 -5,-0.3 -1,-0.2 0.861 112.2 50.9 -75.8 -37.7 -21.1 -34.9 23.4 24 28 B S H 3< S+ 0 0 71 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.667 105.6 59.1 -73.6 -16.7 -23.8 -32.2 23.3 25 29 B N T 3< S+ 0 0 19 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.173 77.9 146.3 -94.1 15.4 -22.7 -31.3 19.8 26 30 B F < + 0 0 31 -3,-1.3 2,-0.3 1,-0.0 -3,-0.1 -0.255 18.5 159.8 -55.4 136.8 -23.4 -34.8 18.6 27 31 B W - 0 0 10 156,-0.0 -2,-0.1 66,-0.0 69,-0.0 -0.972 27.1-149.5-154.2 160.2 -24.7 -35.0 15.0 28 32 B L > - 0 0 8 -2,-0.3 3,-1.4 1,-0.1 4,-0.4 -0.950 30.6-117.9-131.3 154.2 -25.0 -37.4 12.0 29 33 B P G > S+ 0 0 2 0, 0.0 3,-1.3 0, 0.0 5,-0.3 0.809 113.9 65.1 -58.2 -29.5 -24.9 -36.8 8.3 30 34 B E G 3 S+ 0 0 100 1,-0.2 4,-0.0 3,-0.1 70,-0.0 0.719 91.5 62.9 -63.8 -24.1 -28.5 -38.2 8.2 31 35 B K G < S+ 0 0 144 -3,-1.4 -1,-0.2 2,-0.1 0, 0.0 0.633 92.9 75.7 -77.3 -15.7 -29.6 -35.1 10.3 32 36 B V S < S- 0 0 17 -3,-1.3 2,-2.3 -4,-0.4 3,-0.2 -0.871 85.7-130.4 -99.9 126.3 -28.6 -32.8 7.4 33 37 B P > + 0 0 63 0, 0.0 3,-1.3 0, 0.0 143,-0.1 -0.462 41.5 161.8 -74.9 73.6 -30.9 -32.7 4.3 34 38 B L G > + 0 0 7 -2,-2.3 3,-1.7 -5,-0.3 143,-0.2 0.746 63.0 71.6 -65.7 -27.0 -28.1 -33.2 1.8 35 39 B S G > S+ 0 0 67 1,-0.3 3,-1.2 -3,-0.2 -1,-0.3 0.699 83.6 70.0 -64.1 -20.8 -30.6 -34.2 -0.9 36 40 B N G < S+ 0 0 107 -3,-1.3 4,-0.3 1,-0.2 -1,-0.3 0.555 87.4 66.7 -73.4 -8.1 -31.8 -30.6 -1.2 37 41 B D G <> S+ 0 0 3 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.436 71.7 95.8 -90.9 -2.5 -28.4 -29.7 -2.7 38 42 B I H <> S+ 0 0 62 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.900 83.2 49.1 -54.9 -47.1 -29.1 -31.7 -5.9 39 43 B P H 4 S+ 0 0 85 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.912 113.8 46.2 -60.5 -42.6 -30.4 -28.7 -7.8 40 44 B A H >4 S+ 0 0 21 -4,-0.3 3,-0.8 1,-0.2 4,-0.4 0.841 109.4 55.6 -66.8 -35.9 -27.3 -26.6 -6.9 41 45 B W H >< S+ 0 0 18 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.860 103.7 54.4 -63.3 -37.7 -25.0 -29.5 -7.7 42 46 B Q T 3< S+ 0 0 141 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.521 101.6 58.3 -79.3 -7.0 -26.4 -29.7 -11.3 43 47 B T T < S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.531 87.2 100.2 -95.0 -10.7 -25.7 -26.1 -12.0 44 48 B L S < S- 0 0 11 -3,-0.9 2,-0.1 -4,-0.4 -3,-0.0 -0.445 78.5-112.3 -74.6 147.9 -22.0 -26.6 -11.2 45 49 B T > - 0 0 81 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.318 28.6-107.4 -72.6 162.1 -19.5 -26.9 -14.1 46 50 B V H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 123.5 54.4 -57.8 -38.6 -17.7 -30.3 -14.7 47 51 B V H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 109.9 45.5 -57.9 -49.2 -14.5 -28.5 -13.4 48 52 B E H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.875 114.1 48.0 -65.8 -40.9 -16.3 -27.5 -10.1 49 53 B Q H X S+ 0 0 42 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.919 112.5 48.5 -65.3 -46.1 -17.9 -31.0 -9.6 50 54 B Q H X S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.880 112.0 49.7 -60.8 -42.9 -14.6 -32.8 -10.2 51 55 B L H X S+ 0 0 6 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.888 109.0 52.8 -62.7 -42.7 -12.8 -30.5 -7.8 52 56 B T H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.908 110.9 45.7 -60.6 -46.2 -15.5 -31.1 -5.1 53 57 B M H X S+ 0 0 11 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.867 112.6 50.1 -67.6 -38.8 -15.2 -34.9 -5.3 54 58 B R H X S+ 0 0 47 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.840 109.8 52.4 -67.7 -35.8 -11.3 -34.7 -5.3 55 59 B V H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.934 112.8 43.3 -62.6 -48.4 -11.5 -32.5 -2.2 56 60 B F H X S+ 0 0 5 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.772 109.7 54.9 -75.6 -27.5 -13.8 -34.8 -0.3 57 61 B T H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.833 109.6 49.6 -70.5 -33.6 -11.9 -38.0 -1.2 58 62 B G H X S+ 0 0 1 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.901 111.4 47.4 -67.2 -44.1 -8.7 -36.4 0.2 59 63 B L H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.800 106.5 59.3 -67.8 -31.1 -10.5 -35.4 3.4 60 64 B T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 360,-0.4 0.920 105.6 48.2 -61.8 -46.5 -11.9 -39.0 3.7 61 65 B L H X S+ 0 0 8 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.912 114.2 45.8 -58.7 -46.4 -8.4 -40.5 3.7 62 66 B L H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.837 113.4 48.0 -71.9 -36.0 -7.2 -38.0 6.4 63 67 B D H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.811 110.3 52.7 -72.3 -32.9 -10.3 -38.4 8.6 64 68 B T H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.900 108.2 51.8 -64.6 -42.2 -10.0 -42.2 8.3 65 69 B L H X>S+ 0 0 5 -4,-2.0 5,-3.0 1,-0.2 4,-2.1 0.878 108.5 51.2 -59.0 -41.0 -6.3 -41.8 9.5 66 70 B Q H <>S+ 0 0 2 -4,-1.6 5,-2.8 3,-0.2 -1,-0.2 0.860 114.0 43.9 -65.6 -37.8 -7.6 -39.7 12.4 67 71 B N H <5S+ 0 0 8 -4,-1.7 -2,-0.2 27,-0.2 -1,-0.2 0.941 121.9 35.3 -70.7 -51.1 -10.1 -42.4 13.4 68 72 B V H <5S- 0 0 47 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.925 142.0 -2.2 -74.2 -48.6 -7.8 -45.5 13.0 69 73 B I T X5S+ 0 0 15 -4,-2.1 4,-1.8 -5,-0.3 -3,-0.2 0.779 118.8 68.0-114.3 -42.7 -4.4 -44.2 14.1 70 74 B G T 4>4 S+ 0 0 39 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.831 98.9 60.5 -60.5 -32.7 -5.9 -43.8 19.5 73 77 B S G 3< S+ 0 0 16 -4,-1.8 -2,-0.2 -3,-0.4 4,-0.1 0.637 101.0 55.0 -70.5 -14.5 -2.2 -42.9 19.5 74 78 B L G X4 S+ 0 0 3 -3,-1.1 3,-0.8 -4,-0.4 -1,-0.2 0.626 89.8 78.9 -89.8 -16.6 -2.9 -40.1 22.0 75 79 B M G X< S+ 0 0 42 -3,-0.9 3,-1.4 -4,-0.5 -2,-0.2 0.857 86.2 53.8 -64.3 -42.5 -4.6 -42.4 24.5 76 80 B P G 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.684 108.5 53.5 -66.9 -14.6 -1.5 -44.0 26.1 77 81 B D G < S+ 0 0 45 -3,-0.8 -2,-0.2 -4,-0.1 2,-0.1 0.170 79.6 132.6-105.8 15.1 -0.2 -40.5 26.9 78 82 B A < - 0 0 25 -3,-1.4 -3,-0.1 1,-0.1 6,-0.0 -0.396 46.5-154.4 -71.4 144.0 -3.3 -39.3 28.7 79 83 B L S S+ 0 0 73 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 0.788 77.2 29.4 -87.3 -32.9 -2.9 -37.4 32.0 80 84 B T S > S- 0 0 17 1,-0.1 4,-1.1 -68,-0.0 3,-0.4 -0.888 76.7-120.1-127.2 156.2 -6.3 -38.2 33.5 81 85 B P H > S+ 0 0 63 0, 0.0 4,-1.2 0, 0.0 -76,-0.1 0.779 116.1 58.4 -62.1 -26.9 -8.9 -41.1 33.1 82 86 B H H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.791 98.5 57.4 -74.4 -30.7 -11.3 -38.4 31.8 83 87 B E H > S+ 0 0 4 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.866 103.9 53.9 -64.3 -38.4 -9.0 -37.5 29.0 84 88 B E H X S+ 0 0 60 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.880 108.4 49.0 -61.6 -40.9 -9.1 -41.1 27.8 85 89 B A H X S+ 0 0 1 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.839 110.6 49.8 -68.7 -36.3 -12.9 -41.0 27.7 86 90 B V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 3,-0.3 0.880 107.1 54.5 -69.9 -39.4 -12.9 -37.7 25.7 87 91 B L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.788 102.3 58.8 -64.4 -29.4 -10.4 -39.2 23.2 88 92 B S H X S+ 0 0 5 -4,-1.1 4,-1.6 2,-0.2 419,-0.3 0.839 107.9 45.8 -64.3 -37.6 -12.9 -42.1 22.7 89 93 B N H X S+ 0 0 2 -4,-1.0 4,-2.8 -3,-0.3 -2,-0.2 0.918 111.8 50.8 -68.7 -47.2 -15.4 -39.5 21.6 90 94 B I H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.936 110.4 49.8 -54.9 -50.8 -12.9 -37.7 19.4 91 95 B S H X S+ 0 0 6 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.893 112.6 46.7 -56.6 -46.5 -12.0 -41.0 17.7 92 96 B F H X S+ 0 0 0 -4,-1.6 4,-1.4 411,-0.3 3,-0.5 0.905 110.4 52.4 -62.5 -44.0 -15.7 -41.9 17.1 93 97 B M H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.741 102.3 59.8 -68.4 -22.5 -16.5 -38.5 15.7 94 98 B E H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.849 104.7 50.2 -67.7 -35.6 -13.6 -38.8 13.3 95 99 B A H X S+ 0 0 3 -4,-1.1 4,-1.7 -3,-0.5 -2,-0.2 0.814 108.5 52.6 -69.9 -32.8 -15.4 -41.9 11.9 96 100 B V H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.889 108.1 51.0 -66.5 -42.3 -18.5 -39.8 11.7 97 101 B H H X S+ 0 0 0 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.926 112.1 46.0 -60.8 -47.0 -16.6 -37.1 9.7 98 102 B A H X S+ 0 0 1 -4,-1.9 4,-0.8 1,-0.2 3,-0.4 0.853 112.3 51.9 -64.4 -36.7 -15.3 -39.7 7.2 99 103 B R H X S+ 0 0 20 -4,-1.7 4,-1.3 1,-0.2 3,-0.3 0.824 101.1 62.0 -67.9 -33.9 -18.8 -41.3 6.9 100 104 B S H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.760 96.4 58.8 -67.0 -27.2 -20.3 -37.9 6.1 101 105 B Y H X S+ 0 0 0 -4,-0.8 4,-2.1 -3,-0.4 -1,-0.2 0.876 104.9 49.5 -69.9 -38.3 -18.2 -37.6 2.9 102 106 B S H X S+ 0 0 0 -4,-0.8 4,-2.8 -3,-0.3 -2,-0.2 0.811 106.0 57.9 -65.5 -32.9 -19.7 -40.8 1.6 103 107 B S H X S+ 0 0 11 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.844 107.2 47.6 -65.3 -36.0 -23.2 -39.4 2.4 104 108 B I H X>S+ 0 0 2 -4,-1.4 4,-2.5 2,-0.2 5,-0.6 0.933 113.3 48.0 -66.5 -48.2 -22.4 -36.5 0.2 105 109 B F H X5S+ 0 0 5 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.904 111.5 49.3 -58.6 -46.9 -21.1 -38.9 -2.6 106 110 B S H <5S+ 0 0 78 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.785 117.4 41.6 -64.2 -30.7 -24.2 -41.1 -2.4 107 111 B T H <5S+ 0 0 47 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.903 130.0 15.8 -85.8 -46.5 -26.6 -38.2 -2.5 108 112 B L H <5S+ 0 0 17 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.780 108.5 70.3-102.8 -32.9 -25.2 -35.9 -5.2 109 113 B C S < - 0 0 126 -2,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.746 29.2-126.2 -90.5 142.9 -22.3 -40.5 -9.9 111 115 B T H > S+ 0 0 100 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.845 107.4 49.7 -60.4 -41.1 -20.5 -43.7 -8.8 112 116 B K H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.800 110.8 51.0 -70.7 -28.5 -17.9 -43.8 -11.6 113 117 B D H > S+ 0 0 63 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.837 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0.954 122.2 23.6 -70.6 -51.8 -3.7 -31.7 10.3 154 158 B E H <5S+ 0 0 4 -4,-1.4 -2,-0.2 3,-0.2 -3,-0.1 0.556 126.3 44.9-103.2 -10.7 -7.2 -30.6 11.3 155 159 B S T <5S+ 0 0 7 -4,-2.0 102,-0.3 -5,-0.2 101,-0.2 0.462 135.9 8.0-102.7 -6.4 -6.7 -27.0 12.5 156 160 B F T > 5S+ 0 0 0 -4,-0.4 3,-1.1 -5,-0.3 -3,-0.2 0.570 125.9 44.7-134.6 -64.2 -4.5 -26.2 9.5 157 161 B L T > > S+ 0 0 0 -3,-1.1 4,-1.1 1,-0.3 -1,-0.3 0.567 77.3 70.2 -76.5 -10.0 -8.7 -26.1 5.4 160 164 B S H <4 S+ 0 0 2 -3,-1.7 4,-0.3 -4,-0.2 -1,-0.3 0.790 112.6 34.4 -68.4 -29.1 -7.4 -26.4 1.8 161 165 B G H X4 S+ 0 0 3 -3,-1.3 3,-0.7 -4,-0.3 -2,-0.3 0.802 113.1 58.7 -88.5 -37.4 -10.4 -28.7 1.4 162 166 B F H 3X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.681 91.5 72.9 -67.4 -20.3 -12.7 -26.7 3.8 163 167 B W H 3X S+ 0 0 2 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.900 90.4 57.8 -59.1 -43.9 -12.3 -23.6 1.7 164 168 B L H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.3 5,-0.2 0.904 104.1 46.4 -60.6 -51.9 -14.5 -24.9 -1.2 165 169 B P H > S+ 0 0 7 0, 0.0 4,-1.5 0, 0.0 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4,-1.7 2,-0.2 -1,-0.1 0.821 69.8 50.7 -68.9 -34.9 -25.9 -24.7 1.4 176 180 B N H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 109.9 49.5 -71.9 -40.7 -26.8 -28.0 3.1 177 181 B T H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 110.5 52.6 -60.7 -41.1 -23.3 -29.5 2.4 178 182 B A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.867 106.4 52.7 -62.0 -39.4 -21.9 -26.3 3.8 179 183 B D H X S+ 0 0 71 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.869 109.5 49.3 -63.0 -39.4 -24.0 -26.7 6.9 180 184 B L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 3,-0.4 0.889 109.5 50.9 -65.8 -42.7 -22.6 -30.2 7.3 181 185 B I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.856 105.3 56.8 -64.4 -36.7 -19.0 -29.0 6.9 182 186 B R H X S+ 0 0 51 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.781 103.9 53.7 -65.1 -28.8 -19.6 -26.3 9.6 183 187 B L H X S+ 0 0 38 -4,-0.9 4,-1.3 -3,-0.4 -1,-0.2 0.840 110.5 46.2 -71.8 -36.2 -20.5 -29.2 12.0 184 188 B I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.910 113.4 49.2 -67.8 -45.3 -17.2 -30.9 11.2 185 189 B I H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.877 107.1 55.3 -61.4 -40.7 -15.4 -27.5 11.6 186 190 B R H X S+ 0 0 62 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.865 110.8 45.9 -60.6 -38.7 -17.2 -27.0 14.9 187 191 B D H X S+ 0 0 2 -4,-1.3 4,-2.4 1,-0.2 3,-0.4 0.924 111.5 51.2 -66.6 -46.5 -15.9 -30.3 16.1 188 192 B E H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.770 101.8 59.9 -68.7 -29.3 -12.3 -29.7 14.9 189 193 B A H X S+ 0 0 3 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.881 112.2 40.2 -62.1 -40.4 -12.0 -26.3 16.6 190 194 B V H X S+ 0 0 9 -4,-0.9 4,-3.0 -3,-0.4 5,-0.2 0.878 112.7 55.8 -75.7 -41.4 -12.6 -28.0 20.0 191 195 B H H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.940 112.4 41.8 -52.3 -53.6 -10.4 -31.0 19.0 192 196 B G H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.849 114.3 52.5 -65.3 -38.3 -7.4 -28.7 18.2 193 197 B Y H X S+ 0 0 36 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.935 114.6 41.6 -59.5 -49.5 -8.1 -26.6 21.3 194 198 B Y H X S+ 0 0 2 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.930 117.4 44.1 -69.3 -50.2 -8.1 -29.7 23.6 195 199 B I H X S+ 0 0 9 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.875 116.1 49.8 -62.8 -39.2 -5.2 -31.5 22.1 196 200 B G H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.868 110.1 50.3 -65.5 -39.6 -3.2 -28.2 22.0 197 201 B Y H X S+ 0 0 6 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.887 110.5 49.1 -64.5 -42.1 -4.1 -27.5 25.6 198 202 B K H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.819 106.4 57.6 -68.2 -33.2 -2.9 -31.0 26.7 199 203 B Y H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.898 108.2 46.2 -59.5 -43.9 0.3 -30.4 24.7 200 204 B Q H < S+ 0 0 33 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.822 111.0 52.2 -70.5 -33.3 1.0 -27.3 26.8 201 205 B K H < S+ 0 0 71 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.845 109.9 49.0 -70.3 -36.4 0.1 -29.2 30.1 202 206 B N H >< S+ 0 0 30 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.794 104.2 59.4 -71.6 -31.0 2.6 -32.0 29.2 203 207 B M G >< S+ 0 0 22 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.617 89.9 71.9 -75.0 -13.3 5.4 -29.5 28.4 204 208 B E G 3 S+ 0 0 131 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.631 95.0 54.6 -72.7 -14.6 5.2 -28.1 31.9 205 209 B K G < 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61.3 75.1 -70.6 -20.1 -33.0 -38.3 37.2 450 39 A S G > S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.727 81.8 68.9 -66.1 -23.8 -34.1 -35.6 39.7 451 40 A N G < S+ 0 0 108 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.493 90.9 63.9 -72.6 -3.4 -37.6 -37.1 39.8 452 41 A D G <> S+ 0 0 2 -3,-1.5 4,-2.1 1,-0.1 3,-0.3 0.511 75.7 88.0 -97.6 -8.7 -36.1 -40.1 41.6 453 42 A I H <> S+ 0 0 81 -3,-1.2 4,-1.3 1,-0.2 -1,-0.1 0.891 86.8 51.1 -59.4 -44.4 -35.0 -38.2 44.7 454 43 A P H > S+ 0 0 86 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.822 114.1 46.5 -62.1 -28.5 -38.4 -38.6 46.5 455 44 A A H > S+ 0 0 22 -3,-0.3 4,-0.6 -4,-0.2 -2,-0.2 0.790 104.9 58.8 -80.9 -32.0 -38.2 -42.3 45.8 456 45 A W H < S+ 0 0 26 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.771 101.3 58.3 -66.4 -27.7 -34.5 -42.6 46.9 457 46 A Q H < S+ 0 0 154 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 99.7 55.9 -67.1 -40.1 -35.7 -41.3 50.3 458 47 A T H < S+ 0 0 83 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.674 88.6 98.1 -71.5 -19.5 -38.2 -44.2 50.8 459 48 A L S < S- 0 0 9 -4,-0.6 2,-0.1 -3,-0.3 -3,-0.0 -0.368 77.6-114.8 -69.7 148.1 -35.5 -46.8 50.4 460 49 A T > - 0 0 77 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.311 28.1-106.2 -74.6 165.0 -33.8 -48.5 53.4 461 50 A V H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 123.3 53.4 -58.5 -40.5 -30.1 -48.0 54.3 462 51 A V H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 109.9 46.5 -58.7 -48.9 -29.5 -51.6 53.0 463 52 A E H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.851 113.9 48.5 -64.2 -38.0 -31.2 -50.8 49.7 464 53 A Q H X S+ 0 0 39 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 112.5 47.6 -67.5 -46.0 -29.3 -47.6 49.3 465 54 A Q H X S+ 0 0 69 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.872 112.3 50.3 -61.7 -40.8 -25.9 -49.2 50.1 466 55 A L H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.888 108.3 53.4 -64.3 -41.5 -26.7 -52.1 47.7 467 56 A T H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.922 111.1 44.4 -59.6 -48.9 -27.6 -49.6 44.9 468 57 A M H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.864 112.5 51.5 -67.2 -38.6 -24.2 -47.7 45.2 469 58 A R H X S+ 0 0 48 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.830 109.1 52.5 -67.4 -34.1 -22.2 -50.9 45.4 470 59 A V H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.943 113.2 41.9 -64.1 -49.9 -23.9 -52.2 42.3 471 60 A F H X S+ 0 0 4 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.789 110.2 55.2 -75.4 -29.6 -23.1 -49.1 40.2 472 61 A T H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.837 110.5 48.8 -67.7 -33.5 -19.5 -48.7 41.5 473 62 A G H X S+ 0 0 0 -4,-1.2 4,-1.4 -5,-0.2 -2,-0.2 0.904 111.5 47.8 -67.5 -44.4 -19.0 -52.3 40.3 474 63 A L H X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.753 105.9 59.4 -69.8 -26.7 -20.5 -51.6 36.9 475 64 A T H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -470,-0.5 0.886 104.1 51.0 -66.4 -41.2 -18.4 -48.4 36.5 476 65 A L H X S+ 0 0 4 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.905 112.6 44.6 -61.6 -44.8 -15.2 -50.4 36.8 477 66 A L H X S+ 0 0 2 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.815 112.2 50.5 -76.1 -32.9 -16.3 -52.9 34.1 478 67 A D H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.816 109.1 52.5 -71.8 -32.7 -17.6 -50.3 31.7 479 68 A T H X S+ 0 0 10 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.871 108.0 52.5 -66.0 -39.1 -14.3 -48.4 32.1 480 69 A L H X>S+ 0 0 3 -4,-1.6 5,-3.4 1,-0.2 4,-1.9 0.879 109.1 49.1 -61.1 -41.6 -12.5 -51.7 31.2 481 70 A Q H <>S+ 0 0 2 -4,-1.6 5,-2.9 3,-0.2 -2,-0.2 0.851 114.3 46.1 -67.4 -36.8 -14.7 -52.0 28.1 482 71 A N H <5S+ 0 0 6 -4,-1.8 -2,-0.2 27,-0.2 -1,-0.2 0.949 122.4 31.7 -68.7 -53.1 -13.9 -48.4 27.0 483 72 A V H <5S- 0 0 44 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.931 143.3 -0.1 -76.5 -49.7 -10.1 -48.4 27.6 484 73 A I T X5S+ 0 0 10 -4,-1.9 4,-1.8 -5,-0.3 -3,-0.2 0.812 118.9 66.9-110.2 -46.9 -9.2 -52.1 26.9 485 74 A G T 4>4 S+ 0 0 36 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.795 98.9 61.8 -62.0 -29.1 -10.1 -51.3 21.3 488 77 A S G 3< S+ 0 0 19 -4,-1.8 -2,-0.2 -3,-0.4 4,-0.2 0.687 100.7 54.6 -70.4 -18.5 -8.5 -54.8 21.6 489 78 A L G X4 S+ 0 0 2 -3,-1.2 3,-0.9 -4,-0.5 -1,-0.2 0.637 89.0 81.4 -85.3 -17.2 -11.0 -56.1 19.0 490 79 A M G X< S+ 0 0 44 -3,-0.8 3,-1.4 -4,-0.5 -2,-0.2 0.837 84.9 53.6 -62.9 -41.1 -10.0 -53.4 16.5 491 80 A P G 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.716 109.2 52.8 -66.8 -17.0 -6.8 -55.2 15.1 492 81 A D G < S+ 0 0 35 -3,-0.9 -2,-0.2 -4,-0.2 2,-0.1 0.272 79.4 132.1-100.8 8.3 -9.0 -58.3 14.4 493 82 A A < - 0 0 19 -3,-1.4 -3,-0.1 1,-0.1 6,-0.0 -0.382 47.9-153.1 -65.3 135.5 -11.7 -56.4 12.4 494 83 A L S S+ 0 0 68 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.835 78.4 29.1 -77.6 -35.7 -12.6 -58.1 9.1 495 84 A T S > S- 0 0 14 1,-0.1 4,-1.1 -68,-0.0 3,-0.4 -0.872 76.3-122.3-124.4 155.6 -13.7 -54.8 7.4 496 85 A P H > S+ 0 0 65 0, 0.0 4,-1.1 0, 0.0 -76,-0.1 0.759 115.8 59.4 -64.2 -24.4 -12.7 -51.1 7.7 497 86 A H H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.781 98.7 56.5 -73.8 -29.5 -16.4 -50.5 8.5 498 87 A E H > S+ 0 0 4 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.847 102.6 56.3 -66.6 -36.5 -16.2 -52.8 11.5 499 88 A E H X S+ 0 0 56 -4,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.870 108.0 47.5 -61.4 -39.8 -13.3 -50.6 12.8 500 89 A A H X S+ 0 0 1 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.869 109.8 52.0 -70.0 -40.2 -15.6 -47.6 12.7 501 90 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.873 107.3 53.6 -63.0 -38.8 -18.5 -49.4 14.5 502 91 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.788 101.7 59.2 -67.7 -29.3 -16.0 -50.4 17.2 503 92 A S H X S+ 0 0 4 -4,-1.0 4,-1.8 2,-0.2 -411,-0.3 0.863 107.7 46.3 -63.6 -39.1 -15.1 -46.7 17.6 504 93 A N H X S+ 0 0 2 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.903 111.7 51.2 -66.0 -44.5 -18.8 -46.1 18.4 505 94 A I H X S+ 0 0 2 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.914 110.0 49.2 -60.7 -45.7 -18.9 -49.0 20.8 506 95 A S H X S+ 0 0 5 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.925 112.5 47.7 -59.5 -48.3 -15.8 -47.8 22.7 507 96 A F H >X S+ 0 0 0 -4,-1.8 4,-1.3 -419,-0.3 3,-0.6 0.899 109.0 53.0 -59.6 -44.7 -17.2 -44.3 23.0 508 97 A M H 3X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.748 101.0 61.3 -67.7 -23.7 -20.6 -45.5 24.3 509 98 A E H 3X S+ 0 0 2 -4,-1.3 4,-2.1 -3,-0.4 -1,-0.2 0.839 104.1 49.5 -66.9 -34.5 -18.8 -47.6 27.0 510 99 A A H X S+ 0 0 22 -4,-1.9 4,-1.2 1,-0.2 3,-0.6 0.868 101.6 61.1 -65.5 -38.6 -20.2 -41.6 33.0 515 104 A S H 3X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.748 96.6 59.4 -65.0 -26.3 -24.0 -42.2 33.5 516 105 A Y H 3X S+ 0 0 0 -4,-0.9 4,-1.6 -3,-0.4 -1,-0.2 0.852 103.6 51.4 -69.3 -35.5 -23.3 -44.1 36.8 517 106 A S H S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 5,-0.6 0.896 112.6 46.0 -67.4 -42.5 -26.8 -41.3 39.3 520 109 A F H X5S+ 0 0 3 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.896 111.9 51.2 -65.8 -43.3 -24.4 -40.7 42.3 521 110 A S H <5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 117.8 37.9 -64.5 -35.8 -24.3 -36.9 41.7 522 111 A T H <5S+ 0 0 55 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.885 132.9 17.0 -84.0 -43.0 -28.1 -36.5 41.6 523 112 A L H <5S+ 0 0 16 -4,-2.2 -3,-0.2 -5,-0.2 2,-0.2 0.768 109.8 66.0-105.9 -32.3 -29.3 -39.0 44.3 524 113 A C S < - 0 0 141 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.765 25.6-127.3 -92.8 140.2 -24.1 -38.4 49.2 526 115 A T H > S+ 0 0 98 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.855 106.4 56.0 -53.5 -43.3 -20.3 -38.2 48.4 527 116 A K H > S+ 0 0 156 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.915 111.1 41.9 -57.1 -49.4 -19.3 -39.9 51.7 528 117 A D H > S+ 0 0 70 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.825 113.5 53.6 -70.2 -33.9 -21.4 -43.1 51.0 529 118 A V H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 107.7 49.8 -65.7 -46.0 -20.4 -43.2 47.3 530 119 A D H X S+ 0 0 59 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.813 109.5 52.8 -62.9 -32.2 -16.7 -43.1 48.2 531 120 A A H X S+ 0 0 57 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.839 108.5 49.9 -69.5 -36.0 -17.3 -45.9 50.7 532 121 A A H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.857 109.3 51.4 -70.4 -37.8 -19.0 -47.9 47.9 533 122 A Y H X S+ 0 0 26 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.895 112.0 47.0 -61.4 -43.0 -16.0 -47.2 45.6 534 123 A A H X S+ 0 0 54 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.844 109.9 53.4 -67.7 -36.5 -13.7 -48.5 48.4 535 124 A W H X S+ 0 0 62 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.846 109.1 49.5 -65.4 -36.9 -15.9 -51.6 48.9 536 125 A S H < S+ 0 0 4 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.838 107.2 54.5 -71.0 -35.9 -15.7 -52.4 45.2 537 126 A E H < S+ 0 0 86 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.5 41.3 -67.4 -32.1 -11.8 -52.1 45.2 538 127 A E H < S+ 0 0 165 -4,-1.2 2,-0.5 -5,-0.1 -1,-0.2 0.539 87.1 113.2 -94.2 -9.9 -11.5 -54.6 48.0 539 128 A N X - 0 0 8 -4,-0.7 4,-1.6 -3,-0.2 5,-0.2 -0.531 54.9-156.2 -71.1 117.0 -14.1 -57.0 46.7 540 129 A A H > S+ 0 0 50 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.885 87.0 48.6 -64.1 -46.8 -12.4 -60.3 45.7 541 130 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.872 111.6 50.1 -64.5 -37.3 -15.0 -61.6 43.1 542 131 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.882 112.9 46.6 -66.1 -40.0 -15.3 -58.3 41.3 543 132 A Q H X S+ 0 0 65 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.854 111.6 50.3 -71.7 -37.4 -11.5 -58.0 41.0 544 133 A R H X S+ 0 0 119 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.909 110.2 50.9 -64.4 -43.8 -11.1 -61.6 39.8 545 134 A K H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.917 111.5 47.8 -57.5 -47.1 -13.8 -61.0 37.2 546 135 A A H X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.892 114.2 47.4 -60.5 -42.6 -11.9 -57.9 36.0 547 136 A Q H X S+ 0 0 123 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 111.5 48.2 -66.7 -50.0 -8.6 -59.8 35.9 548 137 A I H X S+ 0 0 26 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.928 116.4 43.6 -56.8 -49.6 -9.9 -62.9 34.0 549 138 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.883 114.9 49.5 -64.4 -41.0 -11.7 -60.8 31.4 550 139 A Q H X S+ 0 0 21 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.802 104.8 57.9 -70.5 -31.5 -8.7 -58.4 31.0 551 140 A Q H < S+ 0 0 130 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.842 105.9 49.6 -68.7 -34.4 -6.2 -61.3 30.7 552 141 A H H < S+ 0 0 38 -4,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.791 107.4 55.3 -72.8 -29.7 -8.1 -62.6 27.6 553 142 A Y H < S+ 0 0 4 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 110.6 44.7 -69.2 -32.7 -8.1 -59.1 26.1 554 143 A R S < S+ 0 0 154 -4,-1.3 -1,-0.2 7,-0.0 -2,-0.2 0.432 99.0 103.8 -90.2 -1.5 -4.3 -58.9 26.4 555 144 A G S S- 0 0 32 -3,-0.4 -3,-0.1 -4,-0.2 6,-0.0 -0.002 80.4-116.2 -73.3-179.0 -3.9 -62.5 25.0 556 145 A D S S+ 0 0 159 1,-0.0 -1,-0.1 4,-0.0 -4,-0.1 0.501 86.7 92.3 -97.7 -7.4 -2.8 -63.6 21.5 557 146 A D > - 0 0 38 -5,-0.2 4,-1.0 1,-0.1 3,-0.2 -0.821 55.5-164.8 -97.4 113.5 -6.1 -65.2 20.5 558 147 A P H > S+ 0 0 46 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.834 89.3 52.0 -62.1 -36.9 -8.6 -62.9 18.7 559 148 A L H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.815 103.0 57.0 -73.6 -32.8 -11.6 -65.2 19.2 560 149 A K H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.800 102.0 57.4 -67.7 -30.7 -11.1 -65.5 22.9 561 150 A K H X S+ 0 0 24 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.879 106.4 48.8 -64.0 -41.2 -11.3 -61.7 23.2 562 151 A K H X S+ 0 0 3 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.845 109.4 52.2 -68.6 -37.0 -14.8 -61.8 21.6 563 152 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.936 110.4 48.1 -62.4 -48.5 -16.0 -64.5 23.9 564 153 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.867 111.1 50.7 -60.8 -40.5 -14.9 -62.5 27.0 565 154 A S H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.881 112.5 45.6 -66.8 -41.3 -16.6 -59.4 25.7 566 155 A V H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 5,-0.3 0.918 113.1 50.6 -67.4 -44.6 -19.9 -61.1 25.0 567 156 A F H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.5 0.830 109.9 51.6 -62.2 -34.7 -19.8 -62.9 28.4 568 157 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 3,-0.2 -1,-0.2 0.952 123.2 22.7 -69.1 -51.0 -19.2 -59.7 30.3 569 158 A E H <5S+ 0 0 3 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.1 0.478 125.2 47.7-105.5 -4.2 -22.0 -57.5 28.9 570 159 A S T <5S+ 0 0 8 -4,-2.0 102,-0.3 -5,-0.2 -3,-0.2 0.422 135.8 2.9-104.7 -3.9 -24.5 -60.1 27.7 571 160 A F T > 5S+ 0 0 0 -4,-0.5 3,-1.2 -5,-0.3 -3,-0.2 0.508 123.8 50.9-141.6 -63.3 -24.3 -62.1 31.0 572 161 A L T > > S+ 0 0 2 -3,-1.2 4,-1.1 1,-0.3 -1,-0.2 0.556 76.9 71.8 -74.0 -8.5 -27.0 -58.6 34.8 575 164 A S H <4 S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.2 4,-0.2 0.789 112.4 32.5 -68.1 -29.8 -26.2 -59.3 38.4 576 165 A G H X4 S+ 0 0 2 -3,-1.6 3,-0.9 -4,-0.3 -2,-0.2 0.787 113.0 60.3 -91.7 -37.0 -26.2 -55.5 38.7 577 166 A F H 3X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -3,-0.2 0.724 90.9 73.4 -63.4 -23.5 -28.8 -54.8 36.1 578 167 A W H 3X S+ 0 0 1 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.869 88.6 60.0 -57.1 -41.1 -31.3 -56.9 38.2 579 168 A L H <> S+ 0 0 0 -3,-0.9 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0 0 5 -2,-0.3 4,-1.6 -137,-0.2 -1,-0.2 0.894 71.8 167.1 43.9 56.5 -36.5 -45.2 40.9 590 179 A T H > S+ 0 0 61 -3,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.832 71.0 51.0 -69.6 -34.9 -38.3 -45.4 37.5 591 180 A N H > S+ 0 0 22 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.843 107.9 51.8 -72.5 -36.4 -36.1 -42.8 35.9 592 181 A T H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.883 109.8 51.2 -63.8 -39.6 -32.9 -44.6 36.9 593 182 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.850 106.9 53.3 -64.9 -37.6 -34.4 -47.8 35.4 594 183 A D H X S+ 0 0 71 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.872 109.2 49.0 -63.5 -40.0 -35.1 -45.9 32.2 595 184 A L H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 3,-0.3 0.879 111.0 49.7 -66.0 -41.5 -31.4 -44.9 32.0 596 185 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.2 0.870 105.3 57.5 -65.7 -38.2 -30.4 -48.5 32.7 597 186 A R H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.782 102.5 55.4 -62.9 -28.4 -32.7 -49.7 29.9 598 187 A L H X S+ 0 0 37 -4,-1.0 4,-1.1 -3,-0.3 -1,-0.2 0.839 109.9 45.5 -70.9 -36.0 -30.8 -47.4 27.5 599 188 A I H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.2 -2,-0.2 0.917 112.7 50.7 -68.4 -46.2 -27.6 -49.1 28.5 600 189 A I H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.883 107.0 54.4 -58.7 -41.8 -29.2 -52.5 28.1 601 190 A R H X S+ 0 0 63 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.847 110.4 47.2 -60.9 -37.4 -30.5 -51.6 24.7 602 191 A D H X S+ 0 0 2 -4,-1.1 4,-2.2 -3,-0.2 3,-0.5 0.912 111.5 49.4 -68.3 -44.9 -26.9 -50.7 23.7 603 192 A E H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.742 102.0 62.5 -71.8 -24.8 -25.5 -54.0 25.1 604 193 A A H X S+ 0 0 3 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.851 111.1 39.2 -64.4 -37.2 -28.1 -56.1 23.3 605 194 A V H X S+ 0 0 8 -4,-0.8 4,-2.8 -3,-0.5 -2,-0.2 0.861 113.5 55.6 -79.3 -40.1 -26.7 -54.9 20.0 606 195 A H H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.934 110.6 44.2 -55.6 -51.9 -23.1 -55.0 21.2 607 196 A G H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.859 113.9 50.9 -63.2 -40.0 -23.4 -58.7 22.2 608 197 A Y H X S+ 0 0 33 -4,-1.1 4,-2.1 -5,-0.2 -2,-0.2 0.936 114.5 42.8 -59.9 -50.3 -25.2 -59.5 18.9 609 198 A Y H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.933 116.9 43.8 -67.3 -51.2 -22.5 -57.8 16.7 610 199 A I H X S+ 0 0 8 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.880 116.2 49.9 -62.1 -39.8 -19.4 -59.1 18.5 611 200 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.853 110.1 50.6 -64.4 -38.1 -21.0 -62.6 18.7 612 201 A Y H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.894 110.8 47.9 -65.8 -42.7 -21.8 -62.3 14.9 613 202 A K H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.767 107.5 57.9 -69.9 -27.4 -18.2 -61.4 14.1 614 203 A Y H X S+ 0 0 1 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.942 108.1 45.0 -62.7 -49.7 -17.1 -64.3 16.3 615 204 A Q H < S+ 0 0 36 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.803 110.5 54.5 -66.0 -33.1 -19.0 -66.8 14.2 616 205 A K H >< S+ 0 0 71 -4,-1.6 3,-0.7 1,-0.2 4,-0.3 0.851 109.3 47.3 -68.4 -37.4 -17.7 -65.2 11.0 617 206 A N H >< S+ 0 0 23 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.687 102.2 65.5 -75.4 -20.5 -14.1 -65.6 12.2 618 207 A M G >< S+ 0 0 17 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.621 89.8 68.1 -72.6 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0.898 111.9 46.5 -63.7 -43.4 -11.6 -76.6 21.2 629 218 A L H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.784 108.8 54.6 -73.1 -30.3 -13.0 -73.1 21.3 630 219 A K H X S+ 0 0 89 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.908 110.7 46.9 -64.4 -43.5 -16.5 -74.4 22.0 631 220 A S H X S+ 0 0 69 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.857 111.9 50.9 -64.9 -38.6 -15.0 -76.3 25.0 632 221 A F H X S+ 0 0 35 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.892 106.7 54.6 -64.6 -42.8 -13.1 -73.1 26.0 633 222 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 111.3 42.9 -59.1 -48.8 -16.3 -71.0 25.9 634 223 A F H X S+ 0 0 34 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.796 114.4 52.5 -69.8 -29.9 -18.2 -73.3 28.3 635 224 A D H X S+ 0 0 102 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.905 112.6 44.0 -67.4 -44.7 -15.2 -73.6 30.5 636 225 A L H X S+ 0 0 3 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.887 112.5 53.0 -67.2 -40.9 -14.9 -69.8 30.7 637 226 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.924 111.6 44.6 -59.3 -47.7 -18.6 -69.4 31.2 638 227 A L H X S+ 0 0 69 -4,-1.9 4,-1.9 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-4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.893 109.8 51.7 -67.7 -43.0 -24.1 -62.1 44.1 649 238 A D H < S+ 0 0 66 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.877 113.5 44.0 -60.7 -41.1 -23.9 -63.6 47.6 650 239 A E H < S+ 0 0 66 -4,-2.0 3,-0.3 2,-0.2 -1,-0.2 0.812 117.5 44.5 -77.5 -32.8 -21.7 -60.8 48.9 651 240 A L H < S+ 0 0 10 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.936 121.9 35.3 -73.1 -50.3 -23.7 -58.0 47.2 652 241 A Y S >< S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 6,-0.4 0.028 80.8 120.9 -98.0 25.7 -27.2 -59.2 48.2 653 242 A A T 3 S+ 0 0 72 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.859 75.3 46.8 -57.9 -42.3 -26.2 -60.6 51.6 654 243 A E T 3 S+ 0 0 133 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.074 109.4 67.8 -92.5 23.9 -28.6 -58.3 53.6 655 244 A T S < S- 0 0 22 -3,-1.5 3,-0.4 -193,-0.1 -3,-0.0 -0.930 78.4-128.8-136.6 158.7 -31.5 -59.0 51.2 656 245 A P S S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.050 88.6 89.7 -95.9 34.0 -33.7 -62.1 50.4 657 246 A W >> + 0 0 34 -5,-0.4 4,-1.7 1,-0.1 3,-0.8 0.451 47.8 104.3-108.6 -3.4 -33.1 -61.6 46.6 658 247 A 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