==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-DEC-12 3ZEC . COMPND 2 MOLECULE: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE SOFIC . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR A.GOEPFERT,T.SCHIRMER . 740 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 0 6 2 2 2 0 0 2 2 2 6 0 0 1 3 0 0 0 2 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A E 0 0 218 0, 0.0 9,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 145.3 17.0 -27.9 30.5 2 3 A W - 0 0 77 245,-0.1 2,-0.4 246,-0.1 5,-0.1 -0.297 360.0-173.5 -70.8 144.9 18.4 -29.8 27.5 3 4 A Q > - 0 0 81 3,-0.4 3,-1.5 152,-0.2 152,-0.3 -0.978 24.6-140.0-138.0 124.8 19.9 -33.4 27.9 4 5 A A T 3 S+ 0 0 21 -2,-0.4 140,-0.2 1,-0.3 151,-0.2 0.849 104.1 40.7 -49.0 -41.2 21.6 -35.3 25.1 5 6 A E T 3 S+ 0 0 127 149,-0.1 2,-0.4 147,-0.1 -1,-0.3 0.462 102.8 79.1 -93.0 -2.4 20.0 -38.6 26.1 6 7 A Q S < S- 0 0 99 -3,-1.5 -3,-0.4 149,-0.1 149,-0.4 -0.904 92.4-102.7-111.6 135.9 16.5 -37.3 26.8 7 8 A A - 0 0 25 -2,-0.4 2,-2.6 1,-0.2 3,-0.3 -0.298 33.3-128.1 -54.0 124.4 14.0 -36.6 24.1 8 9 A Y > + 0 0 29 147,-2.3 3,-1.8 1,-0.2 -1,-0.2 -0.308 50.5 152.1 -78.5 61.6 13.9 -32.8 23.8 9 10 A N T 3 S+ 0 0 72 -2,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.756 70.6 62.5 -62.6 -24.7 10.1 -32.4 24.1 10 11 A H T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 -9,-0.1 -2,-0.1 0.100 70.5 150.5 -84.5 19.2 10.8 -28.9 25.5 11 12 A L < - 0 0 3 -3,-1.8 236,-0.0 1,-0.1 185,-0.0 -0.399 56.8-111.0 -49.7 118.4 12.4 -27.9 22.2 12 13 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.354 28.4-119.3 -63.1 133.7 11.6 -24.2 22.3 13 14 A P - 0 0 86 0, 0.0 153,-0.1 0, 0.0 3,-0.0 -0.259 37.0 -95.5 -59.9 155.7 9.0 -23.1 19.7 14 15 A L - 0 0 5 152,-0.2 2,-0.2 1,-0.1 6,-0.1 -0.546 48.4-105.9 -69.1 143.5 10.2 -20.6 17.1 15 16 A P + 0 0 28 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.505 35.2 179.3 -76.5 144.5 9.3 -17.0 18.2 16 17 A L + 0 0 68 -2,-0.2 -2,-0.0 4,-0.0 2,-0.0 0.604 63.0 57.2-115.1 -22.5 6.4 -15.3 16.4 17 18 A D S >> S- 0 0 106 3,-0.1 3,-2.5 161,-0.0 4,-0.5 0.018 115.9 -55.2 -97.7-153.5 6.3 -11.9 18.3 18 19 A S H 3> S+ 0 0 89 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.692 123.5 76.0 -66.0 -17.5 8.9 -9.2 19.0 19 20 A K H 3> S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.752 87.7 62.8 -59.6 -23.5 11.2 -11.8 20.5 20 21 A L H X> S+ 0 0 2 -3,-2.5 4,-3.1 2,-0.2 3,-0.5 0.985 105.5 41.2 -67.7 -55.9 11.9 -12.9 16.9 21 22 A A H 3X S+ 0 0 36 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.880 111.7 57.4 -57.0 -39.3 13.5 -9.6 15.8 22 23 A E H 3< S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 118.1 32.6 -62.8 -35.8 15.4 -9.3 19.1 23 24 A L H << S+ 0 0 60 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.878 123.9 41.5 -83.3 -42.6 17.1 -12.7 18.4 24 25 A A H < S+ 0 0 0 -4,-3.1 2,-1.0 -5,-0.2 -3,-0.2 0.746 98.1 71.8 -86.3 -27.3 17.4 -12.7 14.6 25 26 A E < + 0 0 19 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.2 -0.750 57.4 145.9-103.4 86.8 18.5 -9.2 13.7 26 27 A T > - 0 0 37 -2,-1.0 4,-2.7 1,-0.1 5,-0.2 -0.786 58.9-109.1-109.6 163.9 22.1 -8.6 14.7 27 28 A L H > S+ 0 0 69 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.918 118.1 47.3 -60.5 -46.4 24.6 -6.4 12.9 28 29 A P H > S+ 0 0 55 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 113.6 49.4 -63.8 -36.5 26.8 -9.4 11.7 29 30 A I H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.958 112.5 45.7 -64.4 -49.6 23.7 -11.2 10.5 30 31 A L H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.878 111.9 52.4 -65.2 -37.5 22.3 -8.2 8.6 31 32 A K H < S+ 0 0 49 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.869 112.2 45.4 -62.8 -38.6 25.7 -7.5 7.0 32 33 A A H X S+ 0 0 15 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.808 108.3 59.3 -72.1 -27.9 25.9 -11.1 5.8 33 34 A C H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.837 94.2 66.4 -70.6 -32.5 22.3 -10.9 4.6 34 35 A I H X S+ 0 0 9 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.950 104.9 38.2 -57.8 -56.6 23.1 -8.0 2.2 35 36 A P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.812 114.6 57.0 -70.5 -22.1 25.3 -9.8 -0.3 36 37 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.947 109.3 44.0 -68.2 -47.3 23.2 -13.0 -0.0 37 38 A R H X S+ 0 0 32 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.880 114.3 50.8 -62.0 -38.9 20.0 -11.2 -1.1 38 39 A A H X S+ 0 0 11 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.925 113.0 44.5 -64.7 -47.6 21.9 -9.3 -3.9 39 40 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 113.8 50.7 -62.8 -41.9 23.4 -12.6 -5.3 40 41 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.887 109.7 49.9 -67.6 -36.8 20.1 -14.4 -5.0 41 42 A A H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.884 108.2 53.0 -67.9 -37.3 18.3 -11.6 -6.9 42 43 A E H X S+ 0 0 28 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.928 111.6 47.5 -61.8 -44.3 20.9 -11.7 -9.6 43 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.940 109.4 51.2 -60.9 -50.2 20.3 -15.4 -10.0 44 45 A K H X S+ 0 0 37 -4,-2.5 4,-2.0 176,-0.2 -1,-0.2 0.921 114.3 44.6 -57.1 -44.3 16.5 -15.1 -10.0 45 46 A Q H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.930 112.6 49.9 -67.1 -46.0 16.7 -12.5 -12.8 46 47 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.925 112.2 49.2 -58.4 -41.9 19.3 -14.3 -14.9 47 48 A G H >< S+ 0 0 2 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.926 108.6 51.7 -66.2 -42.3 17.3 -17.5 -14.8 48 49 A E H 3< S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.766 109.9 50.7 -66.2 -26.4 14.0 -15.9 -15.7 49 50 A L H 3< S+ 0 0 41 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.486 79.4 110.7 -91.1 -7.1 15.7 -14.3 -18.8 50 51 A L << - 0 0 5 -3,-1.1 6,-0.1 -4,-0.6 3,-0.0 -0.602 61.1-148.8 -71.6 121.8 17.2 -17.5 -20.2 51 52 A P S S+ 0 0 92 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.907 89.1 66.9 -57.5 -44.4 15.4 -18.3 -23.5 52 53 A N >> + 0 0 5 1,-0.2 4,-0.8 2,-0.1 3,-0.6 -0.544 59.3 165.2 -80.4 78.3 15.9 -22.0 -22.9 53 54 A Q H 3> + 0 0 88 -2,-1.8 4,-2.4 1,-0.2 5,-0.3 0.832 69.5 67.7 -59.1 -38.8 13.8 -22.6 -19.8 54 55 A G H 3> S+ 0 0 12 1,-0.2 4,-2.9 -3,-0.2 5,-0.4 0.874 94.6 57.8 -50.4 -38.9 13.9 -26.4 -20.3 55 56 A L H <>>S+ 0 0 1 -3,-0.6 4,-2.1 1,-0.2 5,-0.6 0.938 110.1 42.7 -55.9 -50.2 17.6 -26.3 -19.5 56 57 A L H X5S+ 0 0 4 -4,-0.8 4,-1.0 -3,-0.2 -2,-0.2 0.915 119.4 41.0 -66.1 -46.5 17.0 -24.8 -16.1 57 58 A I H <5S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.835 121.1 40.7 -79.1 -29.7 14.0 -26.8 -15.1 58 59 A N H <5S+ 0 0 53 -4,-2.9 4,-0.2 -5,-0.3 -2,-0.2 0.888 127.1 27.3 -80.0 -36.9 15.3 -30.2 -16.3 59 60 A L H >X5S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.4 3,-0.8 0.889 109.3 57.1-102.5 -45.5 18.9 -29.9 -15.3 60 61 A L H 3X S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.818 104.1 57.2 -64.4 -23.1 17.2 -29.6 -10.0 62 63 A L H <> S+ 0 0 0 -3,-0.8 4,-2.3 -4,-0.2 -2,-0.2 0.873 106.5 48.4 -69.4 -40.0 19.3 -32.7 -10.9 63 64 A L H X S+ 0 0 5 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.945 112.9 47.2 -60.1 -51.8 22.4 -31.0 -9.6 64 65 A E H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.912 112.0 51.3 -58.2 -42.3 20.7 -30.0 -6.4 65 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.911 109.1 50.7 -62.6 -41.9 19.3 -33.6 -6.1 66 67 A Q H X S+ 0 0 20 -4,-2.3 4,-1.5 2,-0.2 10,-0.2 0.942 115.9 41.2 -60.0 -49.5 22.8 -35.1 -6.5 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.936 114.7 48.9 -66.2 -47.1 24.3 -32.9 -3.8 68 69 A S H X S+ 0 0 0 -4,-2.6 4,-0.5 -5,-0.2 3,-0.3 0.880 114.0 46.4 -64.8 -36.0 21.5 -33.0 -1.3 69 70 A S H ><>S+ 0 0 0 -4,-2.0 5,-1.6 -5,-0.2 3,-0.7 0.804 105.3 61.2 -73.2 -32.1 21.3 -36.8 -1.5 70 71 A E H 3<5S+ 0 0 75 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.690 86.5 72.4 -72.0 -22.9 25.1 -37.2 -1.2 71 72 A I H 3<5S+ 0 0 5 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.922 111.0 34.7 -54.7 -39.0 25.1 -35.6 2.2 72 73 A G T <<5S- 0 0 35 -3,-0.7 -3,-0.1 -4,-0.5 0, 0.0 0.254 121.6 -74.1 -90.2-144.2 23.6 -38.9 3.2 73 74 A N T 5S+ 0 0 145 1,-0.1 2,-0.9 2,-0.0 -3,-0.2 0.125 95.8 106.6-108.3 24.0 24.4 -42.3 1.7 74 75 A I < + 0 0 24 -5,-1.6 2,-0.5 -6,-0.1 -2,-0.2 -0.802 49.5 173.2 -97.4 94.2 22.6 -41.8 -1.6 75 76 A V + 0 0 76 -2,-0.9 2,-0.2 -5,-0.1 20,-0.1 -0.876 10.4 136.3-111.4 121.6 25.6 -41.4 -4.0 76 77 A T - 0 0 12 -2,-0.5 2,-0.3 -10,-0.2 -6,-0.0 -0.784 46.5-100.0-141.7-172.3 25.3 -41.2 -7.7 77 78 A T > - 0 0 64 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.817 19.5-125.6-116.0 156.2 26.8 -39.1 -10.5 78 79 A T H > S+ 0 0 21 -2,-0.3 4,-2.5 282,-0.2 5,-0.2 0.840 110.1 60.6 -68.2 -33.0 25.3 -36.2 -12.4 79 80 A D H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 107.0 44.9 -55.6 -50.2 26.0 -38.0 -15.7 80 81 A K H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 110.5 54.3 -64.4 -38.5 23.8 -40.9 -14.7 81 82 A L H < S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.909 111.4 45.3 -61.6 -41.1 21.1 -38.5 -13.5 82 83 A F H >< S+ 0 0 2 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.905 112.8 51.7 -66.9 -43.2 21.1 -36.8 -16.9 83 84 A Q H 3< S+ 0 0 61 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.887 120.3 32.3 -58.7 -41.8 21.1 -40.2 -18.6 84 85 A Y T 3< S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.259 85.1 109.3-105.1 13.0 18.1 -41.4 -16.7 85 86 A A S < S+ 0 0 23 -3,-0.7 -1,-0.2 -4,-0.4 3,-0.1 0.795 91.7 28.3 -59.8 -32.3 16.2 -38.1 -16.2 86 87 A Q S S+ 0 0 74 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.623 137.0 17.0-105.4 -19.0 13.4 -39.0 -18.6 87 88 A E + 0 0 88 -4,-0.2 -1,-0.3 1,-0.0 3,-0.2 -0.833 58.6 174.7-159.5 116.2 13.4 -42.8 -18.2 88 89 A D > + 0 0 57 -2,-0.3 3,-1.2 1,-0.2 -4,-0.1 0.039 38.8 118.9-121.5 28.9 15.1 -44.8 -15.4 89 90 A S T 3 S+ 0 0 69 1,-0.3 -1,-0.2 7,-0.0 -5,-0.0 0.836 85.6 45.4 -64.8 -31.0 14.3 -48.5 -15.8 90 91 A Q T 3 S+ 0 0 150 -3,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.463 91.7 111.1 -88.9 -2.8 18.0 -49.4 -16.1 91 92 A A S < S- 0 0 9 -3,-1.2 -3,-0.0 -7,-0.1 -10,-0.0 -0.455 72.0-114.4 -76.5 144.1 19.1 -47.1 -13.2 92 93 A D > - 0 0 53 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.335 35.3-102.2 -67.3 159.6 20.4 -48.6 -10.0 93 94 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.808 120.0 51.3 -60.0 -35.8 18.3 -48.0 -6.8 94 95 A M H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.915 109.5 50.0 -69.5 -41.5 20.4 -45.2 -5.4 95 96 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 111.5 50.2 -59.0 -41.4 20.3 -43.3 -8.7 96 97 A K H X S+ 0 0 70 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.863 107.0 53.3 -64.6 -38.4 16.5 -43.7 -8.7 97 98 A E H X S+ 0 0 32 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.906 109.0 49.2 -66.4 -38.7 16.3 -42.4 -5.1 98 99 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.850 108.5 53.9 -65.3 -35.8 18.2 -39.3 -6.1 99 100 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.870 102.9 57.1 -65.8 -35.1 15.8 -38.9 -9.1 100 101 A R H X S+ 0 0 61 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.799 101.1 57.6 -65.4 -29.4 12.8 -39.1 -6.7 101 102 A Y H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.942 106.8 47.3 -63.5 -47.5 14.4 -36.1 -4.8 102 103 A R H X S+ 0 0 44 -4,-1.4 4,-3.1 1,-0.2 5,-0.3 0.919 112.3 50.8 -56.6 -45.0 14.2 -34.1 -8.1 103 104 A T H X S+ 0 0 38 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.913 110.8 48.0 -63.5 -43.8 10.7 -35.3 -8.5 104 105 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.944 115.1 45.6 -57.5 -49.3 9.7 -34.2 -5.0 105 106 A L H X S+ 0 0 1 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.925 119.5 39.9 -63.2 -46.3 11.4 -30.8 -5.5 106 107 A Y H X S+ 0 0 92 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.943 116.9 45.8 -71.5 -49.3 9.9 -30.2 -8.9 107 108 A Q H X S+ 0 0 89 -4,-2.8 4,-1.2 -5,-0.3 -3,-0.2 0.910 113.3 48.8 -62.4 -45.7 6.3 -31.5 -8.3 108 109 A C H X S+ 0 0 5 -4,-2.0 4,-0.8 -5,-0.4 3,-0.3 0.902 110.3 54.5 -64.9 -34.9 5.8 -29.8 -5.0 109 110 A F H >< S+ 0 0 46 -4,-1.4 3,-1.4 -5,-0.3 4,-0.4 0.955 106.3 49.4 -55.6 -53.9 7.0 -26.6 -6.7 110 111 A T H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.710 113.6 48.3 -64.0 -21.3 4.4 -26.9 -9.5 111 112 A Q H >X S+ 0 0 56 -4,-1.2 4,-2.0 -3,-0.3 3,-1.3 0.547 81.7 95.4 -93.1 -9.2 1.7 -27.4 -6.9 112 113 A L T << S+ 0 0 21 -3,-1.4 -1,-0.1 -4,-0.8 -2,-0.1 0.807 79.3 57.5 -56.4 -36.5 2.6 -24.5 -4.5 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124 A L H X S+ 0 0 37 -4,-1.8 4,-2.5 1,-0.2 11,-0.4 0.892 112.2 52.0 -63.3 -41.2 5.0 -35.3 4.3 124 125 A E H X S+ 0 0 67 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 110.5 47.7 -62.9 -45.1 4.5 -35.3 0.6 125 126 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.942 114.5 44.4 -61.2 -50.4 8.2 -34.6 -0.0 126 127 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-0.2 0.894 114.3 50.7 -66.8 -37.5 9.5 -37.3 2.4 127 128 A S H X>S+ 0 0 18 -4,-2.5 5,-1.1 -5,-0.2 4,-1.1 0.866 110.5 49.2 -64.4 -38.3 6.9 -39.8 1.0 128 129 A T H <5S+ 0 0 26 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.922 113.5 46.1 -67.6 -44.4 8.0 -39.0 -2.6 129 130 A I H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 119.9 39.4 -63.4 -42.4 11.7 -39.5 -1.8 130 131 A K H <5S- 0 0 60 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.586 100.6-132.4 -86.5 -10.5 11.1 -42.7 0.2 131 132 A S T <5S+ 0 0 90 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.818 77.9 89.9 57.1 30.6 8.5 -44.1 -2.2 132 133 A V S - 0 0 66 5,-3.0 4,-2.3 -2,-0.3 5,-0.3 -0.791 33.2-161.1 -78.6 111.2 28.5 -41.5 17.9 147 148 A Q T 4 S+ 0 0 165 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.866 83.4 54.5 -70.1 -27.6 28.2 -45.0 16.4 148 149 A A T 4 S+ 0 0 96 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.883 123.5 21.0 -72.0 -41.5 31.9 -45.7 17.3 149 150 A T T 4 S- 0 0 98 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.553 97.5-125.1-106.4 -13.4 31.8 -44.8 21.0 150 151 A G < + 0 0 50 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.487 56.8 149.3 76.4 4.4 28.1 -45.2 21.7 151 152 A E - 0 0 114 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.5 -0.531 47.0-129.4 -68.1 133.6 27.7 -41.7 23.1 152 153 A V E +A 145 0A 43 -2,-0.2 -7,-0.2 -7,-0.2 3,-0.1 -0.734 26.9 179.8 -85.9 128.7 24.3 -40.2 22.5 153 154 A I E - 0 0 40 -9,-2.9 2,-0.3 -2,-0.5 -8,-0.2 0.833 63.5 -0.7 -98.7 -42.4 24.7 -36.7 20.9 154 155 A Y E -A 144 0A 21 -10,-1.8 -10,-3.5 -149,-0.1 -1,-0.3 -0.954 50.8-163.2-153.9 133.8 21.1 -35.5 20.5 155 156 A T - 0 0 11 -149,-0.4 -147,-2.3 -152,-0.3 -12,-0.2 -0.955 21.9-146.6-119.7 115.3 17.6 -37.0 21.1 156 157 A P - 0 0 5 0, 0.0 -147,-0.2 0, 0.0 40,-0.1 -0.242 39.9 -66.9 -75.1 164.9 14.8 -35.2 19.2 157 158 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -149,-0.1 -0.082 52.0-152.9 -50.3 147.6 11.2 -34.8 20.6 158 159 A A + 0 0 19 -151,-0.1 4,-0.1 -3,-0.1 -20,-0.1 -0.978 49.5 64.3-128.2 145.6 9.2 -38.0 21.0 159 160 A G S > S- 0 0 27 -2,-0.3 4,-2.7 -22,-0.3 5,-0.2 0.169 74.2-111.5 108.9 126.5 5.4 -38.5 20.9 160 161 A E H > S+ 0 0 71 -22,-0.3 4,-2.8 1,-0.2 5,-0.2 0.894 115.3 43.5 -54.5 -51.1 3.1 -37.9 18.0 161 162 A S H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 112.7 53.6 -65.7 -41.0 1.2 -35.0 19.4 162 163 A V H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.938 113.1 43.4 -57.7 -47.6 4.4 -33.3 20.7 163 164 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 113.2 51.7 -63.4 -45.7 5.9 -33.6 17.2 164 165 A R H X S+ 0 0 81 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.868 109.1 50.3 -60.3 -38.3 2.7 -32.4 15.5 165 166 A D H X S+ 0 0 107 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.909 110.0 49.5 -67.2 -43.7 2.5 -29.4 17.7 166 167 A L H X S+ 0 0 16 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.902 110.0 52.2 -61.2 -40.9 6.1 -28.4 17.0 167 168 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.863 105.9 53.7 -62.9 -37.4 5.4 -28.8 13.3 168 169 A S H X S+ 0 0 72 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.827 108.5 50.1 -66.2 -32.4 2.4 -26.5 13.5 169 170 A N H X S+ 0 0 27 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.885 108.9 52.0 -70.5 -37.0 4.6 -23.9 15.1 170 171 A W H X S+ 0 0 6 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.932 111.8 46.9 -61.7 -44.8 7.1 -24.4 12.2 171 172 A E H X S+ 0 0 68 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.904 110.5 51.0 -61.1 -46.8 4.3 -23.9 9.7 172 173 A A H < S+ 0 0 47 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.860 107.4 55.6 -62.1 -36.7 3.0 -20.8 11.5 173 174 A F H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.909 100.7 57.6 -60.9 -47.1 6.6 -19.3 11.5 174 175 A L H 3< S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.906 118.7 30.9 -52.3 -41.7 7.0 -19.6 7.7 175 176 A H T 3< S+ 0 0 82 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.245 88.6 136.1-106.9 13.8 3.9 -17.5 7.1 176 177 A N < - 0 0 39 -3,-1.3 2,-0.9 -4,-0.3 -3,-0.1 -0.316 61.6-117.4 -64.5 138.7 4.1 -15.2 10.2 177 178 A Q + 0 0 192 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.722 66.5 120.1 -81.7 107.5 3.6 -11.5 9.6 178 179 A D - 0 0 54 -2,-0.9 -161,-0.0 2,-0.1 -160,-0.0 -0.936 67.4-116.1-160.5 172.6 6.9 -10.0 10.6 179 180 A D + 0 0 135 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 0.301 65.8 124.5-103.0 3.7 9.7 -7.9 9.1 180 181 A V S S- 0 0 8 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.430 73.0 -97.1 -77.4 139.1 12.6 -10.3 9.3 181 182 A D >> - 0 0 14 1,-0.1 4,-2.0 -2,-0.1 3,-0.9 -0.273 28.9-129.4 -54.7 132.2 14.4 -11.1 6.1 182 183 A P H 3> S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.794 106.9 59.2 -57.2 -29.8 13.1 -14.3 4.6 183 184 A L H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.873 106.4 48.0 -67.2 -34.8 16.7 -15.7 4.2 184 185 A I H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.907 113.4 47.4 -67.8 -42.8 17.1 -15.4 8.0 185 186 A K H X S+ 0 0 5 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.903 108.8 55.1 -63.3 -39.3 13.8 -17.1 8.6 186 187 A M H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 109.3 47.0 -60.0 -44.8 14.7 -19.8 6.1 187 188 A A H X S+ 0 0 0 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-4,-2.1 -60,-0.2 -5,-0.2 -3,-0.1 0.958 9.1-176.2 52.4 58.3 13.4 -34.6 13.2 198 199 A P + 0 0 0 0, 0.0 -61,-2.7 0, 0.0 2,-0.2 0.672 51.8 60.2 -67.4 -19.7 9.7 -35.5 12.5 199 200 A F S S- 0 0 0 -63,-0.2 4,-0.1 1,-0.1 -63,-0.1 -0.597 80.4-122.5-107.8 166.9 10.2 -38.6 10.4 200 201 A I S S- 0 0 105 -65,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.779 97.9 -3.3 -73.2 -23.5 11.9 -42.0 10.9 201 202 A D S S+ 0 0 69 1,-0.0 -1,-0.2 2,-0.0 -71,-0.1 -0.974 113.4 47.7-160.2 159.3 14.1 -41.3 7.9 202 203 A G > + 0 0 5 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 0.605 60.2 134.4 81.0 12.7 14.6 -38.6 5.2 203 204 A N H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.851 71.2 46.2 -63.9 -39.7 14.6 -35.5 7.5 204 205 A G H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.947 115.4 44.5 -70.7 -51.3 17.7 -33.7 6.0 205 206 A R H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.904 116.3 47.7 -59.3 -44.0 16.7 -34.2 2.3 206 207 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.942 111.9 50.8 -62.7 -45.8 13.1 -33.2 3.1 207 208 A G H X S+ 0 0 1 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.898 109.7 49.9 -56.6 -42.6 14.4 -30.2 5.1 208 209 A R H X S+ 0 0 12 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.796 109.6 50.0 -73.6 -27.6 16.6 -29.1 2.1 209 210 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 3,-0.4 0.929 108.9 54.0 -66.1 -46.1 13.8 -29.3 -0.4 210 211 A L H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.834 101.2 59.5 -59.6 -34.7 11.7 -27.2 2.0 211 212 A N H X S+ 0 0 9 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.934 109.0 43.6 -56.3 -47.7 14.4 -24.5 2.1 212 213 A I H X S+ 0 0 1 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.900 112.1 51.6 -66.5 -45.0 14.1 -24.1 -1.7 213 214 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.857 107.9 53.8 -61.2 -34.8 10.3 -24.1 -1.7 214 215 A Y H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 104.5 53.5 -69.4 -37.1 10.2 -21.5 1.1 215 216 A L H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 6,-1.4 0.897 112.9 45.5 -60.6 -38.0 12.5 -19.2 -1.1 216 217 A I H ><5S+ 0 0 22 -4,-1.8 3,-2.3 4,-0.2 -2,-0.2 0.962 110.2 52.0 -70.0 -51.2 9.9 -19.6 -3.8 217 218 A D H 3<5S+ 0 0 45 -4,-3.3 -2,-0.2 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28.4 43.3 16.9 372 1 B H + 0 0 163 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.912 360.0 38.2 -95.7 -60.0 27.6 41.7 13.6 373 2 B E - 0 0 185 1,-0.0 3,-0.2 3,-0.0 -1,-0.1 -0.843 48.4-138.1-122.1 148.0 24.5 39.5 12.8 374 3 B W + 0 0 249 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 -0.386 68.5 25.5 -81.6 164.3 20.8 39.1 13.5 375 4 B Q + 0 0 93 1,-0.1 2,-0.5 -2,-0.1 -1,-0.2 0.809 52.9 165.5 59.2 59.3 18.8 35.8 14.2 376 5 B A + 0 0 101 -3,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.867 11.4 155.5-102.5 127.4 20.5 32.6 15.8 377 6 B E + 0 0 115 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.585 61.4 62.8-115.3 -10.9 18.5 29.6 17.2 378 7 B Q S S- 0 0 89 1,-0.1 -1,-0.1 3,-0.0 242,-0.0 -0.877 92.7 -81.4-121.5 148.8 21.1 26.8 16.9 379 8 B A - 0 0 76 -2,-0.3 2,-3.0 1,-0.2 -1,-0.1 -0.017 45.1-108.0 -46.3 137.5 24.5 26.1 18.3 380 9 B Y S S+ 0 0 192 -4,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.291 73.2 129.7 -70.8 59.2 27.6 27.7 16.7 381 10 B N - 0 0 136 -2,-3.0 2,-0.0 3,-0.0 -3,-0.0 -0.964 49.2-142.2-116.8 116.3 28.9 24.5 15.1 382 11 B H - 0 0 141 -2,-0.5 -3,-0.0 1,-0.2 -2,-0.0 -0.278 46.3 -57.4 -78.9 164.4 29.7 24.8 11.4 383 12 B L - 0 0 32 1,-0.1 -1,-0.2 184,-0.1 236,-0.0 -0.123 61.0-134.3 -50.7 111.8 29.1 22.1 8.8 384 13 B P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.358 17.0-114.1 -67.2 139.1 31.0 19.0 10.0 385 14 B P - 0 0 85 0, 0.0 153,-0.1 0, 0.0 3,-0.0 -0.370 41.8 -94.1 -61.3 154.6 33.1 17.0 7.5 386 15 B L - 0 0 5 152,-0.2 2,-0.1 1,-0.1 6,-0.1 -0.480 48.0-106.6 -67.1 143.5 31.8 13.5 6.8 387 16 B P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.476 33.8-179.2 -74.9 147.0 33.5 10.9 9.0 388 17 B L + 0 0 68 -2,-0.1 161,-0.1 -3,-0.0 -2,-0.0 0.516 63.7 53.3-117.2 -19.4 36.2 8.6 7.5 389 18 B D S >> S- 0 0 103 161,-0.0 3,-2.1 3,-0.0 4,-0.6 0.099 116.5 -45.9-100.6-147.8 37.1 6.4 10.5 390 19 B S H 3> S+ 0 0 90 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.731 124.1 72.0 -66.2 -21.2 35.3 4.3 13.0 391 20 B K H 3> S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.706 90.8 61.8 -62.3 -22.7 32.7 7.0 13.5 392 21 B L H <> S+ 0 0 1 -3,-2.1 4,-3.7 2,-0.2 5,-0.3 0.976 105.6 41.3 -69.1 -56.8 31.3 6.2 10.0 393 22 B A H X S+ 0 0 38 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.858 114.6 55.5 -57.1 -36.2 30.3 2.6 10.8 394 23 B E H < S+ 0 0 146 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.6 33.6 -64.5 -39.1 29.0 3.8 14.1 395 24 B L H < S+ 0 0 45 -4,-1.6 -2,-0.2 -3,-0.2 3,-0.2 0.881 126.2 39.3 -80.6 -41.3 26.8 6.4 12.4 396 25 B A H < S+ 0 0 0 -4,-3.7 2,-0.9 1,-0.2 -3,-0.2 0.758 102.7 64.7 -88.4 -29.2 25.9 4.4 9.3 397 26 B E < + 0 0 25 -4,-2.2 2,-0.2 -5,-0.3 -1,-0.2 -0.576 61.0 138.9-105.9 76.6 25.4 0.8 10.4 398 27 B T > - 0 0 37 -2,-0.9 4,-2.7 -3,-0.2 5,-0.3 -0.684 64.1-108.0-107.2 163.3 22.4 0.6 12.7 399 28 B L H > S+ 0 0 67 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 119.3 49.7 -59.5 -46.1 19.8 -2.2 12.6 400 29 B P H > S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.893 113.6 47.2 -60.5 -37.5 17.1 0.1 11.1 401 30 B I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.950 113.8 45.2 -67.3 -48.6 19.5 1.3 8.4 402 31 B L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.895 109.6 56.9 -64.0 -37.7 20.8 -2.2 7.5 403 32 B K H < S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.885 111.2 42.5 -59.0 -41.5 17.2 -3.6 7.4 404 33 B A H X S+ 0 0 13 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.820 110.7 59.0 -72.8 -29.2 16.3 -1.0 4.8 405 34 B C H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.862 93.6 64.8 -71.5 -35.4 19.5 -1.6 2.9 406 35 B I H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.941 106.2 39.1 -56.7 -55.8 18.9 -5.3 2.3 407 36 B P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.829 113.4 56.9 -69.5 -24.0 15.8 -5.0 -0.0 408 37 B A H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.943 109.8 44.6 -66.4 -46.8 17.3 -1.9 -1.7 409 38 B R H X S+ 0 0 44 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.866 113.3 52.0 -61.7 -39.0 20.4 -3.9 -2.7 410 39 B A H X S+ 0 0 5 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.946 111.7 45.3 -63.7 -48.0 18.2 -6.8 -3.8 411 40 B A H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.897 114.0 48.7 -61.8 -43.1 16.1 -4.7 -6.0 412 41 B L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.856 107.6 54.2 -70.0 -35.0 19.0 -2.9 -7.5 413 42 B A H X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.872 107.8 51.8 -66.6 -35.1 20.9 -6.1 -8.2 414 43 B E H X S+ 0 0 15 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.937 111.2 46.4 -63.1 -47.3 17.8 -7.3 -10.1 415 44 B L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.917 110.3 53.9 -59.5 -46.2 17.7 -4.2 -12.2 416 45 B K H X S+ 0 0 49 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.893 112.3 43.6 -57.8 -44.2 21.4 -4.4 -12.9 417 46 B Q H X S+ 0 0 11 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.912 113.4 50.4 -68.1 -45.0 21.1 -8.0 -14.2 418 47 B A H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.896 111.9 49.4 -59.0 -40.5 17.9 -7.2 -16.3 419 48 B G H >< S+ 0 0 5 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.891 109.2 50.4 -67.8 -41.9 19.7 -4.2 -17.9 420 49 B E H 3< S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 112.0 47.4 -69.2 -28.4 22.8 -6.1 -18.8 421 50 B L H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.526 80.9 113.2 -92.0 -7.8 21.0 -9.0 -20.5 422 51 B L << - 0 0 9 -4,-0.7 3,-0.1 -3,-0.5 6,-0.1 -0.528 58.6-149.5 -70.9 123.0 18.6 -6.9 -22.6 423 52 B P S S+ 0 0 95 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.937 89.2 64.7 -56.9 -46.9 19.4 -7.3 -26.3 424 53 B N >> + 0 0 8 1,-0.2 4,-0.9 2,-0.1 3,-0.8 -0.488 59.7 162.5 -79.6 76.0 18.2 -3.8 -27.2 425 54 B Q H >> S+ 0 0 90 -2,-1.8 4,-2.1 1,-0.2 3,-0.6 0.892 70.1 63.1 -59.0 -44.5 20.8 -1.7 -25.2 426 55 B G H 3> S+ 0 0 17 1,-0.3 4,-2.0 -3,-0.2 5,-0.3 0.778 94.8 62.6 -50.2 -34.8 20.0 1.5 -27.2 427 56 B L H <> S+ 0 0 3 -3,-0.8 4,-2.0 2,-0.2 5,-0.4 0.962 108.6 40.1 -56.4 -51.1 16.5 1.3 -25.8 428 57 B L H X S+ 0 0 4 -4,-2.0 4,-1.6 -5,-0.3 3,-0.6 0.894 109.4 57.0-101.4 -45.1 15.2 6.5 -23.0 432 61 B L H 3X S+ 0 0 2 -4,-1.6 4,-2.4 -5,-0.4 5,-0.2 0.881 104.6 54.2 -63.2 -37.5 15.8 6.0 -19.2 433 62 B P H 3> S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.824 106.1 55.5 -65.8 -23.7 18.2 9.0 -18.9 434 63 B L H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.909 108.7 45.9 -67.9 -42.0 15.4 11.1 -20.4 435 64 B L H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.934 114.0 48.6 -65.7 -47.2 12.9 10.0 -17.8 436 65 B E H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.901 111.6 50.3 -58.8 -42.9 15.5 10.6 -15.0 437 66 B A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.882 110.0 51.3 -62.6 -40.4 16.2 14.0 -16.5 438 67 B Q H X S+ 0 0 20 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.962 115.3 39.8 -61.4 -51.8 12.5 14.8 -16.6 439 68 B G H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.3 0.942 115.6 49.8 -66.0 -47.3 11.9 13.8 -12.9 440 69 B S H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.870 114.2 46.0 -62.4 -36.0 15.0 15.3 -11.5 441 70 B S H ><>S+ 0 0 2 -4,-1.8 5,-1.7 -5,-0.3 3,-0.8 0.788 103.4 63.1 -74.5 -30.0 14.4 18.7 -13.4 442 71 B E H ><5S+ 0 0 69 -4,-1.6 3,-2.1 -3,-0.3 -1,-0.2 0.750 85.0 74.7 -71.6 -23.1 10.8 18.8 -12.3 443 72 B I T 3<5S+ 0 0 4 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.887 103.4 41.5 -52.6 -39.8 11.8 19.0 -8.6 444 73 B G T < 5S- 0 0 52 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.052 128.0 -96.8 -95.7 22.7 12.7 22.6 -9.5 445 74 B N T < 5S+ 0 0 119 -3,-2.1 2,-1.0 1,-0.2 -3,-0.2 0.694 75.8 141.8 70.4 24.0 9.7 23.4 -11.7 446 75 B I < - 0 0 27 -5,-1.7 2,-0.4 -8,-0.1 -1,-0.2 -0.844 36.6-171.6 -88.8 99.1 11.3 22.7 -15.1 447 76 B V + 0 0 70 -2,-1.0 2,-0.2 -3,-0.1 19,-0.1 -0.803 21.4 138.0-105.3 138.4 8.2 21.1 -16.6 448 77 B T - 0 0 22 -2,-0.4 2,-0.3 18,-0.1 3,-0.0 -0.818 47.4 -97.7-148.2-169.2 7.9 19.3 -20.0 449 78 B T > - 0 0 60 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.914 22.0-126.1-117.8 154.1 6.2 16.2 -21.2 450 79 B T H > S+ 0 0 19 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.877 111.4 58.4 -65.4 -33.5 7.8 12.8 -21.7 451 80 B D H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 104.7 49.4 -57.6 -47.0 6.5 12.8 -25.4 452 81 B K H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 107.0 54.6 -64.9 -37.7 8.4 16.1 -26.1 453 82 B L H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.904 111.9 45.2 -61.5 -39.8 11.6 14.7 -24.7 454 83 B F H >< S+ 0 0 6 -4,-1.8 3,-1.0 2,-0.2 227,-0.3 0.947 113.3 51.0 -66.6 -46.7 11.2 11.7 -27.0 455 84 B Q H 3< S+ 0 0 35 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.891 120.6 32.2 -56.5 -42.8 10.4 14.0 -29.9 456 85 B Y T 3< S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.241 84.1 114.1-105.3 14.3 13.4 16.3 -29.4 457 86 B A S < S+ 0 0 20 -3,-1.0 -1,-0.2 -4,-0.4 3,-0.1 0.776 88.9 26.4 -57.5 -34.1 15.9 13.7 -28.1 458 87 B Q S S+ 0 0 103 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.559 136.3 19.8-108.0 -15.5 18.3 13.8 -31.0 459 88 B E + 0 0 79 -4,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.857 57.7 168.3-158.6 118.4 17.7 17.4 -32.2 460 89 B D > + 0 0 49 -2,-0.3 3,-1.4 -3,-0.1 -4,-0.1 0.072 35.1 120.9-125.3 27.1 16.1 20.1 -30.1 461 90 B S T 3 S+ 0 0 60 1,-0.3 -1,-0.1 7,-0.0 7,-0.0 0.829 86.0 43.6 -63.4 -30.9 16.5 23.5 -31.9 462 91 B Q T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 254,-0.1 2,-0.1 0.415 90.6 115.1 -92.1 -0.4 12.7 24.0 -32.0 463 92 B A S < S- 0 0 7 -3,-1.4 -3,-0.1 1,-0.1 5,-0.0 -0.395 73.2-106.1 -73.5 146.2 12.1 22.9 -28.4 464 93 B D > - 0 0 51 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.258 39.9-100.7 -63.2 160.2 10.8 25.3 -25.8 465 94 B P H > S+ 0 0 104 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.843 119.3 49.4 -58.9 -37.6 13.3 26.4 -23.2 466 95 B M H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.875 110.3 50.6 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