==== 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 07-JAN-10 3LB3 . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.DE SERRANO,S.FRANZEN,M.K.THOMPSON,M.F.DAVIS,F.P.NICOLETT . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 76.2 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 . 4 1.5 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 . 2 0.7 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 . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 0 0 3 2 0 0 0 0 2 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 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 . 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 0 ANTIPARALLEL 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 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 1 A G > 0 0 62 0, 0.0 4,-2.4 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-162.4 15.1 -21.5 -13.4 2 2 A F H > + 0 0 20 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 360.0 51.3 -58.9 -42.8 13.7 -18.3 -11.8 3 3 A K H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 111.2 47.7 -63.9 -42.7 17.1 -17.4 -10.1 4 4 A Q H > S+ 0 0 111 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.897 107.4 57.1 -62.4 -43.2 19.0 -17.8 -13.4 5 5 A D H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.895 104.3 52.5 -55.2 -42.4 16.3 -15.7 -15.2 6 6 A I H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.929 111.5 46.4 -58.9 -44.3 17.0 -12.9 -12.7 7 7 A A H X S+ 0 0 49 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.906 112.2 50.8 -63.8 -44.5 20.7 -13.2 -13.6 8 8 A T H X S+ 0 0 28 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.967 114.4 43.0 -55.7 -55.2 20.0 -13.2 -17.3 9 9 A I H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 7,-0.3 0.927 113.9 50.3 -58.8 -49.7 17.8 -10.1 -17.1 10 10 A R H >< S+ 0 0 96 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.833 100.8 65.8 -58.2 -35.1 20.2 -8.2 -14.8 11 11 A G H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.811 123.0 15.3 -59.2 -34.6 23.1 -9.0 -17.2 12 12 A D T + 0 0 15 -3,-1.2 4,-2.9 1,-0.2 5,-0.3 0.864 68.3 56.3 -61.4 -41.2 19.0 -5.0 -17.8 14 14 A R H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 113.1 41.0 -53.6 -52.4 18.7 -2.0 -20.2 15 15 A T H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.948 118.0 43.9 -64.7 -53.0 17.8 -4.1 -23.1 16 16 A Y H X S+ 0 0 32 -4,-2.3 4,-3.0 -7,-0.3 5,-0.3 0.916 113.5 52.2 -61.1 -43.2 15.4 -6.5 -21.4 17 17 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.939 114.6 41.7 -57.0 -49.7 13.7 -3.6 -19.5 18 18 A Q H X S+ 0 0 21 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.909 116.1 50.3 -65.1 -42.4 13.1 -1.7 -22.7 19 19 A D H X S+ 0 0 55 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.917 115.2 41.0 -60.5 -50.4 12.0 -4.8 -24.6 20 20 A I H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.912 113.1 53.4 -70.5 -40.9 9.5 -6.0 -22.0 21 21 A F H X S+ 0 0 13 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.928 112.1 45.7 -58.0 -44.6 8.1 -2.5 -21.3 22 22 A L H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.847 109.1 54.6 -68.6 -35.8 7.5 -2.1 -25.0 23 23 A A H X S+ 0 0 27 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.898 109.5 50.5 -61.4 -39.7 5.9 -5.5 -25.3 24 24 A F H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.966 111.6 44.5 -60.1 -56.3 3.6 -4.4 -22.5 25 25 A L H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.808 114.5 51.6 -60.8 -32.1 2.6 -1.1 -24.1 26 26 A N H < S+ 0 0 37 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.906 112.6 43.0 -71.3 -43.7 2.1 -3.0 -27.5 27 27 A K H < S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.863 130.6 27.5 -69.1 -35.6 -0.1 -5.7 -26.0 28 28 A Y S >< S+ 0 0 52 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.3 -0.667 70.7 174.3-129.2 73.9 -2.1 -3.2 -24.0 29 29 A P G > S+ 0 0 25 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.722 74.1 67.7 -57.9 -27.0 -1.9 0.2 -25.9 30 30 A D G > S+ 0 0 93 1,-0.3 3,-1.2 2,-0.2 4,-0.1 0.750 87.2 70.7 -64.7 -23.6 -4.3 2.0 -23.5 31 31 A E G X S+ 0 0 5 -3,-2.1 3,-1.6 1,-0.2 -1,-0.3 0.702 78.6 77.1 -65.8 -19.6 -1.6 1.6 -20.8 32 32 A R G X S+ 0 0 23 -3,-1.6 3,-2.7 1,-0.3 6,-0.3 0.805 75.3 77.5 -62.2 -26.1 0.6 4.2 -22.6 33 33 A R G < S+ 0 0 146 -3,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.659 85.1 62.2 -59.0 -19.8 -1.7 7.0 -21.2 34 34 A Y G < S+ 0 0 74 -3,-1.6 2,-0.3 1,-0.3 -1,-0.3 0.555 102.8 51.6 -81.3 -10.2 0.1 6.6 -17.8 35 35 A F S X S+ 0 0 63 -3,-2.7 3,-2.5 -4,-0.2 4,-0.4 -0.682 70.1 175.9-126.5 72.2 3.3 7.7 -19.5 36 36 A K G > S+ 0 0 185 -3,-0.3 3,-0.6 -2,-0.3 -1,-0.1 0.703 75.3 60.1 -59.5 -23.2 2.2 10.9 -21.2 37 37 A N G 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.581 101.8 53.4 -80.2 -12.9 5.8 11.7 -22.4 38 38 A Y G X S+ 0 0 8 -3,-2.5 3,-1.1 -6,-0.3 -1,-0.2 0.420 82.6 116.9 -99.0 -4.7 6.0 8.4 -24.4 39 39 A V T < S+ 0 0 61 -3,-0.6 3,-0.1 -4,-0.4 -3,-0.0 -0.425 80.5 10.1 -64.7 135.9 2.7 9.1 -26.3 40 40 A G T 3 S+ 0 0 42 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.723 100.2 121.1 70.6 25.3 3.1 9.5 -30.0 41 41 A K < - 0 0 64 -3,-1.1 101,-0.3 4,-0.0 -1,-0.2 -0.955 58.4-127.1-125.2 138.7 6.7 8.3 -30.2 42 42 A S > - 0 0 21 -2,-0.4 4,-2.7 99,-0.2 5,-0.1 -0.329 35.1-103.3 -70.7 163.7 8.2 5.4 -32.1 43 43 A D H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.881 123.7 48.0 -55.1 -43.7 10.4 2.8 -30.3 44 44 A Q H > S+ 0 0 126 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.872 110.0 52.0 -68.5 -38.1 13.6 4.3 -31.6 45 45 A E H >> S+ 0 0 88 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.938 109.3 51.7 -57.7 -47.3 12.4 7.8 -30.6 46 46 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 7,-0.3 0.889 105.7 53.4 -58.0 -44.3 11.8 6.5 -27.1 47 47 A K H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.675 103.0 57.8 -68.5 -19.2 15.2 4.9 -26.8 48 48 A S H << S+ 0 0 100 -4,-0.9 2,-0.6 -3,-0.9 -1,-0.3 0.571 88.4 93.8 -82.8 -13.4 16.9 8.3 -27.7 49 49 A M S XX S- 0 0 50 -3,-1.3 4,-1.4 -4,-0.5 3,-0.9 -0.752 73.8-143.0 -87.4 120.0 15.1 9.9 -24.7 50 50 A A H 3> S+ 0 0 68 -2,-0.6 4,-2.2 1,-0.3 5,-0.2 0.872 97.9 46.7 -46.1 -53.1 17.2 9.9 -21.5 51 51 A K H 3> S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.740 103.9 62.9 -70.5 -24.9 14.3 9.2 -19.1 52 52 A F H <> S+ 0 0 0 -3,-0.9 4,-1.8 -6,-0.3 5,-0.3 0.970 113.1 32.7 -62.3 -53.5 12.8 6.4 -21.2 53 53 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 -7,-0.3 -2,-0.2 0.928 123.7 47.7 -67.4 -43.6 15.9 4.1 -20.9 54 54 A D H X S+ 0 0 60 -4,-2.2 4,-1.8 -5,-0.3 -3,-0.2 0.939 116.8 40.0 -64.7 -49.7 16.8 5.4 -17.4 55 55 A H H X S+ 0 0 89 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 114.4 51.9 -73.0 -37.5 13.3 5.1 -15.8 56 56 A T H X S+ 0 0 5 -4,-1.8 4,-2.1 -5,-0.4 5,-0.2 0.919 110.7 49.8 -63.3 -42.8 12.4 1.7 -17.5 57 57 A E H X S+ 0 0 61 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.907 109.3 51.2 -59.7 -42.1 15.6 0.3 -16.2 58 58 A K H X S+ 0 0 136 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.854 107.7 53.5 -65.7 -36.3 14.9 1.5 -12.7 59 59 A V H X S+ 0 0 75 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.935 113.9 41.5 -56.9 -48.7 11.5 -0.1 -12.9 60 60 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.758 108.3 60.5 -80.3 -22.8 13.0 -3.4 -13.8 61 61 A N H X S+ 0 0 65 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.973 109.4 42.5 -61.1 -53.8 15.8 -3.0 -11.3 62 62 A L H X S+ 0 0 42 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.895 111.7 55.7 -59.0 -42.1 13.2 -2.9 -8.5 63 63 A M H X S+ 0 0 19 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.922 109.6 46.4 -54.5 -46.5 11.3 -5.7 -10.1 64 64 A M H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.836 111.2 51.6 -65.0 -35.2 14.5 -7.9 -10.0 65 65 A E H X S+ 0 0 73 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.928 112.7 45.3 -66.5 -43.3 15.2 -6.9 -6.4 66 66 A V H X S+ 0 0 4 -4,-2.8 4,-0.9 1,-0.2 10,-0.3 0.917 114.6 49.9 -63.3 -43.1 11.6 -7.9 -5.5 67 67 A A H >< S+ 0 0 0 -4,-2.6 3,-0.5 -5,-0.2 6,-0.2 0.905 111.6 46.8 -62.1 -45.5 12.1 -11.1 -7.5 68 68 A D H 3< S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.800 110.6 52.5 -66.8 -31.4 15.4 -12.0 -5.8 69 69 A R H 3< S+ 0 0 102 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.630 92.4 100.6 -80.9 -17.3 14.0 -11.3 -2.3 70 70 A A << - 0 0 11 -4,-0.9 2,-0.5 -3,-0.5 3,-0.1 -0.276 68.6-136.1 -67.0 153.1 11.1 -13.6 -3.0 71 71 A T B > S-A 74 0A 103 3,-2.3 3,-2.0 1,-0.2 -2,-0.1 -0.979 84.4 -18.4-111.8 123.1 10.9 -17.2 -1.7 72 72 A D T 3 S- 0 0 153 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.867 130.6 -50.8 47.2 44.8 9.6 -19.7 -4.2 73 73 A C T 3 S+ 0 0 19 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.617 111.7 124.7 70.1 16.2 8.1 -16.8 -6.3 74 74 A V B < -A 71 0A 82 -3,-2.0 -3,-2.3 -7,-0.1 -1,-0.2 -0.924 53.2-144.8-104.9 114.3 6.3 -15.4 -3.2 75 75 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -8,-0.1 -0.349 23.4 -94.1 -79.0 159.3 7.4 -11.7 -2.7 76 76 A L > - 0 0 75 -10,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.439 24.7-128.7 -68.0 141.5 7.8 -10.0 0.6 77 77 A A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.869 110.1 57.0 -54.0 -41.4 4.9 -8.1 2.0 78 78 A S H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 105.6 50.4 -62.2 -37.4 7.2 -5.1 2.6 79 79 A D H > S+ 0 0 9 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.892 109.4 50.2 -67.2 -42.9 8.1 -5.1 -1.2 80 80 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.919 110.1 51.8 -58.9 -42.2 4.4 -5.2 -2.2 81 81 A N H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 103.9 56.0 -64.8 -41.8 3.7 -2.3 0.2 82 82 A T H X S+ 0 0 63 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.915 108.5 50.0 -50.1 -45.2 6.5 -0.2 -1.4 83 83 A L H < S+ 0 0 17 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.3 46.7 -67.7 -35.0 4.8 -0.7 -4.7 84 84 A V H < S+ 0 0 29 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.912 114.7 45.5 -74.1 -39.9 1.4 0.4 -3.5 85 85 A Q H < S+ 0 0 139 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.434 79.6 116.9 -93.0 2.4 2.6 3.5 -1.6 86 86 A M >< - 0 0 46 -4,-0.8 3,-2.5 -5,-0.2 4,-0.1 -0.565 68.4-134.7 -64.9 125.7 4.8 4.9 -4.3 87 87 A K G > S+ 0 0 178 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.850 104.5 62.1 -51.2 -38.7 3.4 8.2 -5.4 88 88 A Q G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.631 104.4 48.8 -62.6 -15.0 3.9 7.2 -9.0 89 89 A H G X S+ 0 0 38 -3,-2.5 3,-1.6 1,-0.1 -1,-0.3 0.214 76.6 111.8-110.0 12.8 1.5 4.3 -8.5 90 90 A S T < S+ 0 0 92 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.801 82.0 40.9 -60.0 -36.0 -1.3 6.3 -6.8 91 91 A S T 3 S+ 0 0 87 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.255 98.1 107.4 -98.8 14.9 -3.9 6.0 -9.6 92 92 A L < - 0 0 31 -3,-1.6 45,-0.5 -8,-0.1 2,-0.3 -0.515 48.0-161.1 -95.5 158.6 -3.0 2.3 -10.4 93 93 A T >> - 0 0 39 44,-0.2 3,-1.7 -2,-0.2 4,-0.9 -0.841 41.1 -97.5-127.5 168.6 -4.9 -0.9 -9.8 94 94 A T H 3> S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.3 3,-0.3 0.810 118.7 69.6 -55.5 -30.2 -3.8 -4.6 -9.7 95 95 A G H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.794 93.1 55.4 -58.8 -33.1 -5.0 -4.9 -13.3 96 96 A N H <> S+ 0 0 13 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.910 112.4 42.8 -65.1 -41.3 -2.1 -2.6 -14.5 97 97 A F H X S+ 0 0 18 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.887 110.5 55.3 -72.2 -42.9 0.4 -5.0 -12.8 98 98 A E H X S+ 0 0 93 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.936 109.0 48.9 -51.6 -51.7 -1.5 -8.1 -14.1 99 99 A K H X S+ 0 0 79 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.881 107.8 54.0 -59.0 -42.7 -1.1 -6.8 -17.7 100 100 A L H X S+ 0 0 21 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.938 112.9 43.3 -58.1 -45.9 2.6 -6.0 -17.2 101 101 A F H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.836 109.6 55.7 -72.0 -31.9 3.2 -9.6 -16.1 102 102 A V H X S+ 0 0 59 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.961 112.7 43.4 -60.8 -49.6 1.0 -11.1 -18.8 103 103 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.864 112.6 53.0 -61.4 -39.7 3.1 -9.3 -21.4 104 104 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.920 111.3 45.7 -63.6 -44.0 6.3 -10.2 -19.6 105 105 A V H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 113.0 50.1 -66.3 -43.0 5.4 -13.9 -19.7 106 106 A E H X S+ 0 0 94 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 110.0 51.1 -60.8 -43.9 4.3 -13.7 -23.4 107 107 A Y H X S+ 0 0 48 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.932 111.0 48.3 -56.9 -48.0 7.6 -12.0 -24.2 108 108 A M H < S+ 0 0 3 -4,-2.3 3,-0.4 1,-0.2 7,-0.3 0.937 111.1 49.1 -60.7 -49.1 9.5 -14.8 -22.4 109 109 A R H < S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.3 46.3 -56.8 -40.9 7.6 -17.6 -24.2 110 110 A A H < S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.679 94.6 90.7 -79.5 -20.1 8.2 -16.0 -27.6 111 111 A S S < S- 0 0 30 -4,-1.5 4,-0.1 -3,-0.4 -3,-0.0 -0.376 86.0-122.3 -69.9 157.0 11.9 -15.4 -27.0 112 112 A G S S+ 0 0 96 2,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.568 82.7 102.7 -76.9 -1.1 14.2 -18.1 -28.1 113 113 A Q S S- 0 0 104 -5,-0.2 2,-1.5 1,-0.1 -2,-0.1 -0.434 81.4-117.9 -89.7 151.4 15.6 -18.3 -24.5 114 114 A S + 0 0 112 -2,-0.1 -1,-0.1 2,-0.1 -5,-0.1 -0.353 48.3 165.6 -88.8 58.0 14.7 -20.9 -21.9 115 115 A F - 0 0 17 -2,-1.5 2,-1.6 -7,-0.3 3,-0.2 -0.359 49.4-114.2 -61.7 149.8 13.1 -18.6 -19.3 116 116 A D >> + 0 0 51 -115,-0.2 4,-1.7 1,-0.2 3,-0.8 -0.573 46.5 171.9 -86.3 71.5 11.1 -20.2 -16.6 117 117 A S H 3> S+ 0 0 16 -2,-1.6 4,-2.2 1,-0.3 -1,-0.2 0.822 70.7 56.7 -54.8 -40.7 7.9 -18.6 -17.9 118 118 A Q H 34 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.878 107.0 50.4 -60.7 -38.7 5.6 -20.6 -15.5 119 119 A S H <4 S+ 0 0 33 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.867 109.6 49.5 -67.2 -38.6 7.5 -19.2 -12.5 120 120 A W H < 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.866 360.0 360.0 -68.1 -34.2 7.2 -15.6 -13.8 121 121 A D < 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 360.0 360.0 -64.2 360.0 3.5 -16.2 -14.3 122 ! 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 0.0 123 123 A F > 0 0 7 0, 0.0 4,-2.9 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -48.6 5.4 -14.6 -9.4 124 124 A G H > + 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -3,-0.2 0.904 360.0 47.7 -55.1 -45.3 3.1 -12.1 -11.2 125 125 A K H > S+ 0 0 147 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 113.6 46.8 -62.7 -47.4 0.1 -13.8 -9.6 126 126 A N H > S+ 0 0 64 -53,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.871 112.5 50.2 -64.1 -36.8 1.6 -13.8 -6.2 127 127 A L H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.925 108.4 51.9 -69.1 -42.8 2.6 -10.2 -6.5 128 128 A V H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.912 111.4 48.1 -56.7 -45.1 -0.9 -9.1 -7.6 129 129 A S H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 112.1 49.5 -60.0 -44.7 -2.3 -10.9 -4.5 130 130 A A H X S+ 0 0 13 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.833 109.1 51.8 -64.6 -35.4 0.3 -9.2 -2.3 131 131 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 -1,-0.2 0.905 109.2 50.8 -67.7 -42.0 -0.6 -5.8 -3.8 132 132 A S H ><5S+ 0 0 69 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.934 108.9 50.4 -59.9 -49.1 -4.2 -6.3 -3.1 133 133 A S H 3<5S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.4 56.8 -58.3 -34.1 -3.5 -7.3 0.5 134 134 A A T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.385 131.0 -92.5 -81.3 2.3 -1.4 -4.1 0.8 135 135 A G T < 5S+ 0 0 60 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.457 73.7 146.8 106.0 2.2 -4.5 -2.0 -0.2 136 136 A M < 0 0 11 -5,-2.4 -1,-0.3 1,-0.1 -43,-0.1 -0.546 360.0 360.0 -71.2 135.4 -4.2 -1.6 -4.0 137 137 A K 0 0 187 -45,-0.5 -44,-0.2 -2,-0.2 -1,-0.1 0.568 360.0 360.0 -70.8 360.0 -7.6 -1.6 -5.7 138 !* 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 0.0 139 1 B G > 0 0 6 0, 0.0 4,-2.5 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-152.3 1.3 1.8 -30.6 140 2 B F H > + 0 0 22 1,-0.2 4,-1.6 2,-0.2 -98,-0.1 0.891 360.0 48.2 -60.7 -48.3 0.3 3.9 -33.6 141 3 B K H > S+ 0 0 42 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.888 114.1 46.1 -62.2 -43.2 3.6 5.6 -34.2 142 4 B Q H > S+ 0 0 38 -101,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.874 106.5 60.0 -67.1 -37.7 5.5 2.3 -34.0 143 5 B D H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.848 100.7 55.9 -56.1 -39.5 2.9 0.6 -36.3 144 6 B I H X S+ 0 0 2 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.949 109.6 45.1 -57.1 -49.3 3.9 3.2 -39.0 145 7 B A H X S+ 0 0 45 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.884 111.8 53.4 -60.2 -42.2 7.5 2.1 -38.8 146 8 B T H < S+ 0 0 36 -4,-2.5 3,-0.4 2,-0.2 4,-0.4 0.951 112.3 43.2 -59.5 -51.2 6.4 -1.6 -38.8 147 9 B I H >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.2 7,-0.3 0.935 112.2 53.7 -61.5 -45.0 4.4 -1.1 -42.0 148 10 B R H >< S+ 0 0 100 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.757 100.0 63.2 -62.6 -24.2 7.1 1.0 -43.6 149 11 B G T 3< S+ 0 0 67 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.623 125.6 13.1 -76.0 -14.7 9.6 -1.8 -42.9 150 12 B D T <> S+ 0 0 88 -3,-1.7 4,-2.2 -4,-0.4 -1,-0.2 -0.249 85.1 153.1-152.2 49.3 7.7 -4.2 -45.2 151 13 B L H <> + 0 0 20 -3,-0.7 4,-3.6 1,-0.2 5,-0.3 0.845 64.9 52.2 -63.6 -46.9 5.4 -1.8 -47.0 152 14 B R H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 113.6 46.6 -56.3 -44.4 4.7 -3.5 -50.3 153 15 B T H > S+ 0 0 64 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 116.8 42.1 -64.4 -49.9 3.7 -6.7 -48.5 154 16 B Y H X S+ 0 0 22 -4,-2.2 4,-2.5 -7,-0.3 5,-0.3 0.925 114.8 52.3 -63.0 -43.7 1.5 -5.0 -46.0 155 17 B A H X S+ 0 0 0 -4,-3.6 4,-2.5 -5,-0.2 5,-0.2 0.925 113.3 42.9 -57.3 -51.1 0.0 -2.7 -48.7 156 18 B Q H X S+ 0 0 18 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.945 115.1 48.5 -61.9 -49.9 -0.9 -5.6 -51.0 157 19 B D H X S+ 0 0 55 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.870 115.3 44.6 -61.7 -38.3 -2.3 -7.8 -48.2 158 20 B I H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.936 115.0 46.9 -71.5 -44.5 -4.4 -4.9 -46.7 159 21 B F H X S+ 0 0 18 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.876 112.6 50.7 -66.0 -37.5 -5.7 -3.8 -50.1 160 22 B L H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.914 108.2 52.2 -63.3 -43.8 -6.5 -7.4 -51.0 161 23 B A H X S+ 0 0 33 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.914 111.5 48.4 -54.5 -46.2 -8.4 -7.8 -47.7 162 24 B F H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 113.5 44.8 -59.5 -49.9 -10.4 -4.6 -48.7 163 25 B L H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 7,-0.2 0.859 114.8 48.4 -69.0 -34.2 -11.2 -5.9 -52.2 164 26 B N H < S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.4 45.6 -72.5 -35.8 -12.1 -9.4 -51.0 165 27 B K H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.842 129.1 27.1 -71.0 -34.5 -14.4 -7.9 -48.3 166 28 B Y >< + 0 0 45 -4,-2.2 3,-2.1 -5,-0.2 -1,-0.3 -0.670 69.6 171.0-130.1 74.2 -15.9 -5.4 -50.7 167 29 B P G > S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.791 75.2 64.9 -62.1 -26.4 -15.7 -7.0 -54.2 168 30 B D G > S+ 0 0 115 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.650 84.2 75.6 -71.5 -13.8 -17.9 -4.2 -55.7 169 31 B E G X S+ 0 0 7 -3,-2.1 3,-1.6 1,-0.2 -1,-0.3 0.640 73.4 81.5 -70.5 -13.1 -15.2 -1.7 -54.9 170 32 B R G X + 0 0 22 -3,-1.6 3,-1.7 1,-0.3 6,-0.3 0.651 69.6 85.1 -64.3 -15.3 -13.2 -3.1 -57.9 171 33 B R G < S+ 0 0 168 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.668 85.9 53.8 -55.6 -24.2 -15.5 -0.8 -60.0 172 34 B Y G < S+ 0 0 72 -3,-1.6 2,-0.5 1,-0.1 -1,-0.3 0.573 103.6 65.6 -89.5 -9.6 -13.1 2.0 -59.3 173 35 B F S X S- 0 0 56 -3,-1.7 3,-1.1 -4,-0.2 4,-0.4 -0.947 79.7-132.2-126.3 115.5 -10.1 0.0 -60.6 174 36 B K T 3 S+ 0 0 101 -2,-0.5 -3,-0.1 1,-0.2 -2,-0.0 -0.319 84.8 3.8 -65.3 140.9 -9.6 -1.1 -64.2 175 37 B N T 3 S+ 0 0 97 1,-0.1 -1,-0.2 -2,-0.0 -5,-0.0 0.651 95.1 106.8 55.3 28.8 -8.6 -4.7 -64.8 176 38 B Y X + 0 0 6 -3,-1.1 3,-0.7 -6,-0.3 -2,-0.1 0.676 56.4 95.6 -96.8 -22.0 -8.7 -5.9 -61.2 177 39 B V T 3 S+ 0 0 98 -4,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.284 81.0 24.7 -68.8 151.7 -12.0 -7.9 -61.7 178 40 B G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.673 98.0 114.9 72.1 22.1 -12.0 -11.6 -62.4 179 41 B K < - 0 0 68 -3,-0.7 -1,-0.2 4,-0.0 2,-0.1 -0.958 59.8-132.3-130.6 140.7 -8.6 -12.2 -60.8 180 42 B S > - 0 0 59 -2,-0.4 4,-2.4 -3,-0.1 3,-0.3 -0.380 40.3 -98.1 -78.4 165.9 -7.3 -14.1 -57.8 181 43 B D H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 125.2 50.0 -48.8 -50.5 -4.9 -12.5 -55.2 182 44 B Q H > S+ 0 0 124 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.843 108.8 52.3 -63.0 -35.4 -1.9 -14.2 -56.9 183 45 B E H >> S+ 0 0 102 -3,-0.3 3,-0.7 2,-0.2 4,-0.5 0.933 111.6 46.5 -64.2 -46.7 -3.0 -12.9 -60.3 184 46 B L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 7,-0.3 0.922 107.3 57.1 -59.7 -43.8 -3.3 -9.4 -59.0 185 47 B K H 3< S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.702 105.5 52.0 -66.5 -16.8 0.1 -9.6 -57.2 186 48 B S H << S+ 0 0 109 -4,-0.8 2,-0.5 -3,-0.7 -1,-0.3 0.529 83.5 100.5 -96.4 -8.7 1.8 -10.4 -60.6 187 49 B M S XX S- 0 0 37 -3,-1.6 4,-1.2 -4,-0.5 3,-0.6 -0.704 73.0-141.1 -74.2 122.7 0.3 -7.4 -62.4 188 50 B A H 3> S+ 0 0 80 -2,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.837 99.0 50.6 -54.3 -38.3 3.1 -4.8 -62.5 189 51 B K H 3> S+ 0 0 103 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.824 101.2 61.9 -71.7 -35.2 0.6 -2.0 -61.9 190 52 B F H <> S+ 0 0 0 -3,-0.6 4,-2.7 -6,-0.3 5,-0.3 0.957 108.7 39.8 -59.0 -54.0 -1.1 -3.5 -58.8 191 53 B G H X S+ 0 0 1 -4,-1.2 4,-2.0 -7,-0.3 -1,-0.2 0.904 118.2 48.5 -62.1 -45.5 2.1 -3.6 -56.7 192 54 B D H X S+ 0 0 76 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.933 116.6 41.2 -60.8 -51.0 3.3 -0.2 -57.9 193 55 B H H X S+ 0 0 76 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.907 114.5 50.1 -68.0 -43.2 -0.1 1.5 -57.3 194 56 B T H X S+ 0 0 4 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.875 110.4 51.5 -65.1 -36.6 -0.9 -0.2 -54.0 195 57 B E H X S+ 0 0 60 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.928 108.6 50.8 -65.3 -44.5 2.5 0.7 -52.6 196 58 B K H X S+ 0 0 143 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.914 108.8 52.2 -60.6 -41.8 2.1 4.4 -53.6 197 59 B V H X S+ 0 0 78 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.932 114.8 41.5 -55.8 -49.3 -1.3 4.5 -51.9 198 60 B F H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.818 107.7 60.8 -76.0 -30.7 0.2 3.1 -48.7 199 61 B N H X S+ 0 0 57 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.934 112.4 39.7 -49.8 -50.1 3.3 5.3 -49.0 200 62 B L H X S+ 0 0 54 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 111.5 56.8 -72.5 -39.4 1.0 8.3 -48.8 201 63 B M H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 107.5 49.2 -59.7 -41.3 -1.2 6.7 -46.1 202 64 B M H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.879 110.2 50.7 -65.2 -36.8 1.8 6.3 -43.8 203 65 B E H X S+ 0 0 84 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.923 110.7 48.7 -64.7 -44.9 2.9 9.9 -44.4 204 66 B V H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 10,-0.3 0.912 114.9 45.6 -59.9 -43.4 -0.7 11.1 -43.5 205 67 B A H < S+ 0 0 1 -4,-2.4 3,-0.4 -5,-0.2 6,-0.2 0.887 112.9 50.4 -66.3 -38.7 -0.6 8.9 -40.4 206 68 B D H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.836 110.4 48.9 -71.4 -34.2 2.9 10.1 -39.5 207 69 B R H < S+ 0 0 98 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.603 95.2 101.6 -79.3 -12.2 2.0 13.8 -39.9 208 70 B A < - 0 0 11 -4,-0.8 2,-0.4 -3,-0.4 -3,-0.1 -0.185 66.1-140.3 -65.3 159.3 -1.1 13.2 -37.7 209 71 B T B > S-B 212 0B 97 3,-2.4 3,-2.0 1,-0.1 -2,-0.1 -0.999 84.8 -13.5-121.6 126.3 -1.3 14.2 -34.0 210 72 B D T 3 S- 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 -171,-0.0 0.871 131.0 -54.5 49.6 42.0 -3.1 11.7 -31.7 211 73 B C T 3 S+ 0 0 13 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.646 111.1 126.1 67.1 17.2 -4.4 10.0 -34.9 212 74 B V B < -B 209 0B 80 -3,-2.0 -3,-2.4 -7,-0.1 -1,-0.2 -0.940 53.9-141.7-104.3 115.0 -5.9 13.3 -36.2 213 75 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.273 24.5 -91.0 -73.6 163.2 -4.6 13.9 -39.7 214 76 B L > - 0 0 74 -10,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.483 27.6-128.8 -65.1 139.6 -3.6 17.4 -41.1 215 77 B A H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.861 110.0 56.6 -54.2 -40.1 -6.4 19.3 -42.8 216 78 B S H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.832 104.4 51.6 -66.0 -33.7 -4.1 19.8 -45.8 217 79 B D H > S+ 0 0 14 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.900 111.6 47.1 -66.0 -42.0 -3.6 16.0 -46.2 218 80 B A H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.917 111.5 51.7 -63.8 -44.5 -7.4 15.5 -46.2 219 81 B N H X S+ 0 0 60 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.906 108.1 51.3 -59.9 -42.8 -7.7 18.3 -48.7 220 82 B T H X S+ 0 0 77 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.900 109.9 50.0 -59.6 -41.5 -5.1 16.7 -51.0 221 83 B L H < S+ 0 0 17 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 113.2 45.6 -68.0 -36.7 -7.0 13.3 -50.8 222 84 B V H < S+ 0 0 29 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.1 45.7 -69.0 -39.6 -10.4 15.0 -51.7 223 85 B Q H < S+ 0 0 155 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.594 80.6 116.3 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50.3 -60.3 -43.3 -8.5 -2.8 -38.9 244 106 B E H X S+ 0 0 96 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.880 109.4 51.2 -66.1 -35.6 -9.8 -6.3 -39.4 245 107 B Y H X S+ 0 0 53 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.901 111.6 48.3 -63.3 -43.1 -6.5 -7.3 -41.0 246 108 B M H < S+ 0 0 5 -4,-2.3 3,-0.5 1,-0.2 7,-0.4 0.890 110.3 49.4 -65.3 -42.9 -4.6 -5.9 -38.1 247 109 B R H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.7 46.3 -67.9 -28.8 -6.7 -7.6 -35.4 248 110 B A H < S+ 0 0 88 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.590 97.2 95.1 -86.5 -13.4 -6.3 -10.9 -37.3 249 111 B S S < S- 0 0 33 -4,-0.9 4,-0.1 -3,-0.5 -3,-0.0 -0.255 81.0-118.4 -85.4 167.1 -2.6 -10.7 -37.8 250 112 B G S S+ 0 0 89 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.584 89.2 91.3 -75.1 -12.2 0.4 -12.1 -35.9 251 113 B Q S S- 0 0 97 -5,-0.1 2,-1.9 1,-0.1 -2,-0.1 -0.627 84.7-121.6 -87.2 144.6 1.7 -8.6 -35.3 252 114 B S + 0 0 72 -2,-0.3 -5,-0.1 2,-0.1 -1,-0.1 -0.391 46.6 172.2 -82.6 61.9 0.7 -6.6 -32.2 253 115 B F - 0 0 20 -2,-1.9 2,-1.5 -7,-0.4 3,-0.2 -0.365 43.2-120.9 -67.2 149.5 -0.8 -3.7 -34.1 254 116 B D >> + 0 0 13 -115,-0.2 4,-1.4 1,-0.2 3,-0.8 -0.628 42.4 172.5 -87.7 74.6 -2.7 -1.0 -32.1 255 117 B S H 3> + 0 0 17 -2,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.809 69.9 60.9 -58.8 -35.0 -5.8 -1.7 -34.2 256 118 B Q H 3> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.884 104.2 49.9 -60.8 -39.1 -8.0 0.6 -32.0 257 119 B S H <> S+ 0 0 27 -3,-0.8 4,-3.1 2,-0.2 -1,-0.2 0.859 108.9 51.5 -67.4 -36.2 -5.8 3.6 -32.9 258 120 B W H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.871 108.1 52.5 -70.8 -33.0 -6.1 2.7 -36.6 259 121 B D H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.943 112.5 45.2 -61.1 -48.6 -9.8 2.6 -36.2 260 122 B R H X S+ 0 0 164 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.930 113.0 50.0 -61.8 -47.0 -9.7 6.1 -34.6 261 123 B F H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.916 110.8 50.4 -56.5 -47.2 -7.3 7.3 -37.4 262 124 B G H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.914 112.5 46.0 -56.9 -45.0 -9.7 6.0 -40.0 263 125 B K H X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 113.4 49.2 -65.5 -42.1 -12.7 7.7 -38.4 264 126 B N H X S+ 0 0 47 -4,-2.9 4,-2.0 -53,-0.2 -1,-0.2 0.826 110.5 51.0 -67.7 -33.3 -10.8 11.0 -38.0 265 127 B L H X S+ 0 0 5 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.941 109.2 50.1 -69.4 -45.7 -9.7 10.8 -41.6 266 128 B V H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 111.2 49.4 -58.1 -41.7 -13.2 10.3 -42.8 267 129 B S H X S+ 0 0 70 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.899 112.1 48.6 -64.2 -40.9 -14.4 13.3 -40.7 268 130 B A H X S+ 0 0 19 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.866 109.8 51.4 -63.6 -41.1 -11.5 15.4 -42.2 269 131 B L H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -2,-0.2 0.911 111.6 48.2 -63.5 -43.0 -12.5 14.3 -45.7 270 132 B S H ><5S+ 0 0 69 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.934 111.2 49.4 -59.9 -47.6 -16.0 15.3 -45.0 271 133 B S H 3<5S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.822 108.4 55.1 -60.9 -33.5 -14.8 18.6 -43.6 272 134 B A T 3<5S- 0 0 25 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.375 129.9 -94.2 -83.7 1.0 -12.7 19.1 -46.8 273 135 B G T < 5S+ 0 0 61 -3,-1.6 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