==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-JAN-12 4DBA . COMPND 2 MOLECULE: DESIGNED ARMADILLO REPEAT PROTEIN, YIIM3AII; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR C.MADHURANTAKAM,G.VARADAMSETTY,M.G.GRUTTER,A.PLUCKTHUN,P.R.E . 784 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 80.6 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 . 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 . 15 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 473 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 3 14 4 9 2 0 0 0 13 3 0 0 0 0 0 0 0 0 0 0 4 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 . 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 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 12 A E >> 0 0 95 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 174.5 24.3 -23.6 17.6 2 13 A L H 3> + 0 0 44 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.717 360.0 50.8 -53.5 -36.0 24.6 -22.6 13.9 3 14 A P H 3> S+ 0 0 93 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.863 108.5 49.2 -80.2 -33.0 27.6 -24.7 12.9 4 15 A Q H <> S+ 0 0 151 -3,-0.5 4,-2.4 1,-0.2 3,-0.2 0.917 113.2 50.1 -67.9 -39.3 26.4 -28.0 14.3 5 16 A M H X S+ 0 0 23 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.813 104.4 56.4 -63.7 -37.8 23.1 -27.5 12.5 6 17 A T H < S+ 0 0 18 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.784 109.7 47.4 -68.8 -28.0 24.8 -26.7 9.2 7 18 A Q H >X S+ 0 0 122 -4,-1.2 3,-2.6 -3,-0.2 4,-1.0 0.946 105.8 56.2 -74.8 -52.2 26.5 -30.1 9.5 8 19 A Q H >< S+ 0 0 29 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.886 101.4 60.6 -40.5 -45.8 23.2 -31.8 10.3 9 20 A L T 3< S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.753 107.0 44.9 -52.5 -26.9 22.0 -30.3 7.0 10 21 A N T <4 S+ 0 0 95 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.544 95.2 111.5 -99.9 -8.7 24.7 -32.3 5.2 11 22 A S << - 0 0 33 -3,-1.1 -3,-0.1 -4,-1.0 0, 0.0 0.175 68.3-132.6 -52.5 173.7 24.0 -35.5 7.2 12 23 A D S S+ 0 0 157 5,-0.0 2,-0.2 4,-0.0 -1,-0.1 0.756 81.3 90.8-101.0 -41.2 22.5 -38.7 5.9 13 24 A D > - 0 0 78 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.419 67.4-151.6 -60.3 125.2 19.9 -39.3 8.6 14 25 A M H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.731 95.8 62.2 -75.6 -23.4 16.7 -37.6 7.4 15 26 A Q H > S+ 0 0 145 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.909 108.0 45.1 -61.2 -43.1 15.7 -37.0 11.0 16 27 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.949 111.3 50.8 -61.4 -56.8 18.8 -34.9 11.3 17 28 A Q H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.868 117.5 39.8 -48.5 -43.8 18.3 -33.0 8.0 18 29 A L H X S+ 0 0 26 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.893 110.3 56.0 -81.6 -41.7 14.7 -32.1 8.9 19 30 A S H X S+ 0 0 34 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.921 115.0 41.0 -55.4 -44.4 15.3 -31.3 12.5 20 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 3,-0.2 0.890 108.6 59.0 -71.4 -45.0 18.0 -28.8 11.4 21 32 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.839 107.9 48.2 -51.5 -34.1 16.0 -27.4 8.5 22 33 A R H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.806 107.7 53.5 -80.4 -29.0 13.3 -26.5 11.0 23 34 A K H X S+ 0 0 67 -4,-1.0 4,-2.7 -3,-0.2 -2,-0.2 0.908 110.6 48.0 -70.1 -40.5 15.7 -24.8 13.4 24 35 A F H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.952 113.0 47.4 -60.2 -50.6 16.9 -22.7 10.6 25 36 A S H X S+ 0 0 9 -4,-2.1 4,-3.2 -5,-0.2 5,-0.3 0.912 112.3 51.3 -54.3 -44.2 13.4 -21.9 9.6 26 37 A Q H X S+ 0 0 53 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 111.3 45.6 -63.8 -46.1 12.6 -21.1 13.2 27 38 A I H X S+ 0 0 37 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.944 116.4 47.0 -57.2 -49.9 15.6 -18.7 13.5 28 39 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.970 114.4 44.8 -59.4 -55.0 14.8 -17.0 10.2 29 40 A S H X S+ 0 0 29 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.848 113.1 51.1 -61.0 -34.0 11.1 -16.6 11.0 30 41 A D H X S+ 0 0 33 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.886 110.9 49.4 -69.0 -35.0 11.7 -15.4 14.6 31 42 A G H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.6 0.913 111.7 47.9 -68.5 -45.1 14.2 -12.8 13.2 32 43 A N H 3X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.808 108.1 56.1 -63.8 -30.7 11.7 -11.6 10.6 33 44 A E H 3X S+ 0 0 119 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.627 103.3 52.3 -83.0 -13.4 8.9 -11.3 13.1 34 45 A Q H << S+ 0 0 58 -4,-0.8 4,-0.3 -3,-0.6 -2,-0.2 0.905 111.6 46.6 -82.2 -48.1 10.7 -9.0 15.5 35 46 A I H >X S+ 0 0 8 -4,-1.5 3,-1.7 1,-0.2 4,-1.5 0.968 115.4 48.0 -49.5 -55.0 11.5 -6.7 12.7 36 47 A Q H 3X S+ 0 0 64 -4,-2.5 4,-2.4 1,-0.3 5,-0.2 0.836 103.0 59.8 -56.1 -42.7 7.8 -7.0 11.6 37 48 A A H 3< S+ 0 0 46 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.421 106.0 51.4 -67.6 -1.7 6.4 -6.4 15.1 38 49 A V H <4>S+ 0 0 0 -3,-1.7 5,-1.6 -4,-0.3 6,-0.4 0.768 110.6 45.3 -99.6 -44.8 8.2 -3.0 15.1 39 50 A I H ><5S+ 0 0 17 -4,-1.5 3,-0.8 1,-0.2 5,-0.2 0.857 117.9 45.1 -63.3 -33.7 6.8 -1.9 11.7 40 51 A D T 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.2 0.660 100.3 65.9 -91.0 -12.4 3.3 -3.1 12.8 41 52 A A T 3 5S- 0 0 24 -5,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.443 113.5-122.5 -80.6 0.2 3.7 -1.5 16.2 42 53 A G T <>5 + 0 0 19 -3,-0.8 4,-0.5 589,-0.2 -3,-0.2 0.719 69.5 136.5 70.3 25.2 3.6 1.7 14.0 43 54 A A H >< + 0 0 0 -5,-1.6 4,-2.5 1,-0.2 3,-0.3 0.738 51.1 82.4 -75.3 -19.5 6.9 3.1 15.2 44 55 A L H > S+ 0 0 5 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.911 89.9 48.5 -53.6 -51.1 8.0 4.0 11.7 45 56 A P H > S+ 0 0 68 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.860 115.6 44.6 -54.0 -41.4 6.1 7.4 11.7 46 57 A A H X S+ 0 0 3 -4,-0.5 4,-1.1 -3,-0.3 -2,-0.2 0.791 111.5 51.4 -75.8 -32.3 7.5 8.4 15.1 47 58 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.837 108.5 54.4 -72.1 -32.1 11.0 7.3 14.3 48 59 A V H >< S+ 0 0 18 -4,-2.1 3,-1.1 -5,-0.3 -2,-0.2 0.813 105.7 51.0 -66.5 -35.5 10.7 9.4 11.1 49 60 A Q H >< S+ 0 0 137 -4,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.768 101.3 63.5 -70.5 -29.3 9.7 12.5 13.2 50 61 A L G >< S+ 0 0 9 -4,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.395 81.8 81.3 -76.6 3.6 12.8 11.9 15.3 51 62 A L G < S+ 0 0 4 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.557 94.6 45.6 -82.6 -8.3 14.9 12.5 12.2 52 63 A S G < S+ 0 0 90 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.166 82.6 134.4-117.7 11.9 14.5 16.3 12.9 53 64 A S < - 0 0 13 -3,-0.5 -3,-0.0 1,-0.1 0, 0.0 -0.219 56.9-140.5 -49.5 149.6 15.2 16.0 16.6 54 65 A P S S+ 0 0 119 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.481 82.8 93.7 -92.3 -3.6 17.7 18.7 17.7 55 66 A N > - 0 0 34 1,-0.2 4,-2.5 -5,-0.1 5,-0.2 -0.797 68.7-155.1 -87.2 116.7 19.2 16.0 19.8 56 67 A E H > S+ 0 0 115 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.890 91.8 50.5 -63.2 -42.3 22.1 14.5 17.8 57 68 A Q H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 111.7 46.4 -57.7 -53.4 22.0 11.2 19.7 58 69 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.935 112.4 52.6 -56.3 -46.4 18.2 10.8 19.3 59 70 A L H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.914 111.0 44.9 -56.9 -48.3 18.6 11.7 15.6 60 71 A Q H X S+ 0 0 52 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.861 113.0 49.9 -70.9 -34.4 21.3 9.1 14.9 61 72 A E H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.890 113.6 46.2 -68.0 -39.3 19.6 6.3 16.8 62 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.900 114.8 47.5 -67.2 -39.8 16.3 7.0 14.9 63 74 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.846 110.4 52.6 -74.1 -29.1 18.2 7.1 11.7 64 75 A W H X S+ 0 0 91 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.965 109.8 48.0 -66.5 -56.0 20.1 4.0 12.5 65 76 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.909 112.4 50.1 -47.8 -48.7 16.8 2.0 13.2 66 77 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.891 107.0 51.3 -64.8 -36.9 15.2 3.2 10.0 67 78 A S H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 106.2 56.9 -77.4 -23.5 18.1 2.3 7.8 68 79 A N H >< S+ 0 0 12 -4,-1.6 3,-1.4 2,-0.2 -1,-0.2 0.934 109.1 44.7 -60.7 -51.2 18.1 -1.2 9.2 69 80 A I H >< S+ 0 0 2 -4,-1.8 3,-1.4 1,-0.3 -2,-0.2 0.887 110.4 56.1 -61.7 -35.5 14.4 -1.6 8.2 70 81 A A T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.505 94.1 70.0 -76.2 -2.5 15.3 -0.1 4.9 71 82 A S T < S+ 0 0 34 -3,-1.4 199,-0.3 -5,-0.1 -1,-0.3 0.350 93.9 70.8 -91.3 4.0 17.9 -2.7 4.4 72 83 A G S < S- 0 0 15 -3,-1.4 199,-0.2 1,-0.3 197,-0.1 0.171 91.7 -31.9-103.4-146.5 15.2 -5.4 4.0 73 84 A G >> - 0 0 9 197,-0.1 4,-2.1 1,-0.1 3,-1.1 -0.233 66.9 -91.3 -78.0 165.7 12.6 -6.5 1.5 74 85 A N H 3> S+ 0 0 35 1,-0.3 4,-1.2 195,-0.2 -1,-0.1 0.629 127.0 52.7 -48.9 -13.7 10.6 -4.4 -1.0 75 86 A E H 3> S+ 0 0 130 2,-0.2 4,-2.4 3,-0.1 -1,-0.3 0.817 103.4 51.2 -99.1 -33.9 8.0 -4.1 1.7 76 87 A Q H <> S+ 0 0 20 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.944 112.2 51.4 -57.1 -48.7 10.1 -2.9 4.6 77 88 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.941 109.7 49.0 -53.0 -51.2 11.3 -0.3 2.1 78 89 A Q H X S+ 0 0 42 -4,-1.2 4,-3.9 -5,-0.2 -1,-0.2 0.893 109.2 51.6 -53.5 -44.9 7.7 0.5 1.4 79 90 A A H X S+ 0 0 21 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.959 112.9 45.1 -62.2 -50.1 6.9 0.8 5.1 80 91 A V H <>S+ 0 0 2 -4,-2.8 5,-1.4 2,-0.2 -2,-0.2 0.884 116.8 46.8 -52.4 -45.5 9.8 3.2 5.6 81 92 A I H ><5S+ 0 0 24 -4,-3.0 3,-1.8 -5,-0.2 -2,-0.2 0.945 110.8 50.8 -65.0 -49.2 8.7 5.1 2.4 82 93 A D H 3<5S+ 0 0 78 -4,-3.9 -2,-0.2 1,-0.3 -1,-0.2 0.795 102.1 61.9 -58.9 -31.5 5.0 5.2 3.5 83 94 A A T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.399 119.9-107.3 -80.8 6.0 6.0 6.6 6.9 84 95 A G T <>5S+ 0 0 29 -3,-1.8 4,-0.6 -5,-0.1 -3,-0.2 0.879 71.1 143.3 77.4 39.5 7.5 9.7 5.2 85 96 A A H >>< + 0 0 0 -5,-1.4 4,-1.9 -4,-0.2 3,-0.7 0.931 59.0 66.1 -75.9 -46.6 11.1 9.0 5.7 86 97 A L H 3> S+ 0 0 6 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.841 94.1 54.7 -50.3 -51.7 12.4 10.3 2.4 87 98 A P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.945 115.6 42.3 -43.4 -49.4 11.5 14.0 2.9 88 99 A A H X S+ 0 0 19 -4,-2.8 3,-1.0 2,-0.2 4,-0.6 0.924 110.8 51.3 -65.6 -44.5 16.9 14.1 1.8 91 102 A Q H >< S+ 0 0 132 -4,-2.0 3,-1.1 -5,-0.4 -2,-0.2 0.858 106.6 54.1 -59.3 -34.9 17.0 17.0 4.2 92 103 A L H >< S+ 0 0 18 -4,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.691 91.5 76.9 -73.2 -16.9 19.6 15.1 6.2 93 104 A L H << S+ 0 0 5 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.840 90.3 54.4 -59.5 -32.1 21.5 15.0 2.9 94 105 A S T << S+ 0 0 86 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.1 -0.133 86.6 132.7 -95.8 40.4 22.5 18.6 3.5 95 106 A S < - 0 0 28 -3,-1.3 -3,-0.1 1,-0.1 6,-0.0 -0.592 53.4-150.5 -93.3 149.9 23.9 17.9 6.9 96 107 A P S S+ 0 0 120 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.748 81.8 86.2 -85.2 -29.2 27.2 19.1 8.4 97 108 A N >> - 0 0 58 1,-0.2 4,-2.5 2,-0.1 3,-1.7 -0.601 68.4-162.2 -74.2 95.2 27.6 16.1 10.7 98 109 A E H 3> S+ 0 0 91 -2,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.690 87.0 62.2 -55.0 -18.8 29.2 13.9 8.1 99 110 A Q H 3> S+ 0 0 133 2,-0.2 4,-1.5 3,-0.2 -1,-0.3 0.849 108.5 40.6 -72.5 -38.7 28.3 10.9 10.3 100 111 A I H <> S+ 0 0 8 -3,-1.7 4,-2.8 2,-0.2 5,-0.2 0.909 114.2 53.8 -73.3 -42.3 24.6 11.7 9.9 101 112 A L H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.946 109.9 46.8 -57.0 -51.1 25.2 12.5 6.2 102 113 A Q H X S+ 0 0 66 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.863 112.9 48.9 -61.6 -39.1 26.8 9.1 5.6 103 114 A E H X S+ 0 0 45 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.907 110.7 50.1 -68.3 -39.1 24.2 7.2 7.4 104 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.830 107.9 55.0 -67.1 -31.5 21.4 9.0 5.5 105 116 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.851 107.9 49.4 -62.6 -34.8 23.2 8.2 2.3 106 117 A W H X S+ 0 0 85 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.899 109.8 50.1 -79.8 -37.8 23.1 4.5 3.3 107 118 A A H >X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 3,-0.5 0.993 113.0 46.0 -57.3 -60.9 19.4 4.6 4.0 108 119 A L H 3X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.859 111.1 54.9 -50.7 -38.7 18.7 6.3 0.7 109 120 A S H 3< S+ 0 0 2 -4,-2.1 4,-0.3 2,-0.2 -1,-0.3 0.909 109.8 44.6 -61.4 -44.2 20.9 3.8 -1.0 110 121 A N H X< S+ 0 0 23 -4,-2.2 3,-1.8 -3,-0.5 4,-0.4 0.945 113.7 50.1 -65.7 -46.1 19.0 0.8 0.5 111 122 A I H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.866 107.7 54.0 -59.1 -38.2 15.7 2.4 -0.4 112 123 A A T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.514 96.1 69.8 -74.5 -5.6 16.9 3.0 -3.9 113 124 A S T < S+ 0 0 24 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.547 87.4 82.0 -89.8 -9.6 17.7 -0.7 -4.2 114 125 A G S < S- 0 0 7 -3,-1.2 5,-0.1 -4,-0.4 -41,-0.0 0.169 96.1 -37.5 -74.9-162.3 14.0 -1.7 -4.2 115 126 A G > - 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0 0 17 1,-0.1 4,-1.0 197,-0.1 -1,-0.2 0.239 62.9 -88.3 -52.9-169.3 13.8 1.5 -15.5 158 169 A N H > S+ 0 0 104 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.893 123.6 51.2 -79.0 -42.4 14.3 3.9 -18.4 159 170 A E H 4 S+ 0 0 161 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.710 106.3 58.3 -70.2 -22.3 12.3 6.9 -17.2 160 171 A Q H >> S+ 0 0 17 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.925 102.5 53.7 -66.7 -47.1 14.3 6.7 -14.0 161 172 A K H 3X S+ 0 0 42 -4,-1.0 4,-1.5 1,-0.3 -2,-0.2 0.655 99.1 61.1 -68.8 -19.3 17.6 7.1 -15.9 162 173 A Q H 3X S+ 0 0 109 -4,-0.8 4,-1.5 2,-0.2 -1,-0.3 0.705 103.5 51.3 -81.4 -17.9 16.5 10.3 -17.7 163 174 A A H <4 S+ 0 0 18 -3,-1.2 4,-0.4 -4,-0.5 -2,-0.2 0.795 105.8 55.2 -82.5 -30.0 16.2 12.0 -14.3 164 175 A V H X>S+ 0 0 1 -4,-1.1 5,-1.3 2,-0.2 4,-0.6 0.929 115.9 37.1 -65.3 -47.0 19.7 10.9 -13.3 165 176 A K H ><5S+ 0 0 59 -4,-1.5 3,-1.0 1,-0.2 6,-0.2 0.903 114.6 56.6 -67.4 -43.5 21.2 12.5 -16.4 166 177 A E T 3<5S+ 0 0 149 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.553 102.7 57.9 -65.9 -9.6 18.7 15.4 -16.1 167 178 A A T 345S- 0 0 36 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.697 123.2-100.0 -93.4 -23.4 20.1 16.0 -12.6 168 179 A G T XX5S+ 0 0 27 -3,-1.0 4,-1.7 -4,-0.6 3,-0.9 0.160 85.3 126.2 124.1 -15.2 23.7 16.5 -13.7 169 180 A A H 3>< + 0 0 0 -5,-1.3 4,-4.5 1,-0.2 5,-0.4 0.871 66.4 61.7 -33.4 -62.3 25.0 13.1 -12.9 170 181 A L H 3> S+ 0 0 66 -6,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.792 109.6 37.5 -39.5 -53.2 26.4 12.6 -16.4 171 182 A E H <> S+ 0 0 142 -3,-0.9 4,-1.6 -6,-0.2 -1,-0.2 0.938 123.1 40.7 -69.9 -49.8 28.8 15.5 -16.3 172 183 A K H < S+ 0 0 55 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.887 115.7 51.9 -65.9 -41.7 29.9 15.2 -12.7 173 184 A L H < S+ 0 0 2 -4,-4.5 3,-0.5 -5,-0.4 -1,-0.2 0.832 108.6 53.6 -62.0 -32.5 30.0 11.4 -13.0 174 185 A E H >< S+ 0 0 118 -4,-1.3 3,-0.6 -5,-0.4 -2,-0.2 0.810 102.5 53.0 -78.1 -34.2 32.2 11.8 -16.1 175 186 A Q G >< S+ 0 0 110 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.514 93.7 79.4 -76.7 -4.2 34.9 14.0 -14.5 176 187 A L G 3 + 0 0 9 -3,-0.5 12,-0.3 -4,-0.4 -1,-0.2 -0.065 66.1 87.9 -93.4 31.0 35.1 11.3 -11.9 177 188 A Q G < S+ 0 0 72 -3,-0.6 -1,-0.2 1,-0.1 8,-0.1 0.263 88.2 48.9-104.9 6.7 37.2 9.1 -14.2 178 189 A S S < S+ 0 0 97 -3,-0.6 2,-0.4 6,-0.1 -1,-0.1 -0.171 75.5 135.5-142.2 38.2 40.4 10.7 -12.9 179 190 A H - 0 0 44 2,-0.3 6,-0.3 -3,-0.2 5,-0.1 -0.775 66.9-113.5 -94.2 135.3 40.1 10.6 -9.1 180 191 A E S S+ 0 0 182 -2,-0.4 2,-0.1 4,-0.1 -1,-0.1 0.792 98.7 74.6 -30.3 -50.4 43.1 9.5 -7.1 181 192 A N S > S- 0 0 23 1,-0.1 4,-1.1 2,-0.0 -2,-0.3 -0.418 70.2-150.0 -75.5 144.3 41.2 6.4 -6.0 182 193 A E H > S+ 0 0 106 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.879 94.4 62.5 -76.2 -41.5 40.7 3.4 -8.3 183 194 A K H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.808 107.2 46.1 -56.1 -31.2 37.4 2.3 -6.8 184 195 A I H > S+ 0 0 0 2,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.827 110.6 50.0 -84.6 -35.9 35.9 5.7 -7.8 185 196 A Q H X S+ 0 0 70 -4,-1.1 4,-1.4 -6,-0.3 3,-0.4 0.974 117.4 43.7 -59.0 -54.8 37.3 5.7 -11.3 186 197 A K H >X S+ 0 0 109 -4,-3.1 4,-1.6 1,-0.2 3,-0.6 0.944 112.1 49.8 -52.4 -58.3 35.9 2.2 -11.7 187 198 A E H 3X S+ 0 0 33 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.683 105.2 57.6 -66.8 -19.5 32.5 2.7 -10.1 188 199 A A H 3X S+ 0 0 0 -4,-1.2 4,-3.8 -3,-0.4 5,-0.3 0.882 102.4 55.9 -74.0 -39.7 31.7 5.8 -12.2 189 200 A Q H 0 0 81 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -16.8 6.8 -3.6 25.5 199 13 B L H > + 0 0 44 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.767 360.0 47.6 -46.3 -43.8 6.5 -2.7 21.8 200 14 B P H 4 S+ 0 0 53 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.889 111.8 48.6 -79.1 -35.5 3.3 -0.6 21.9 201 15 B Q H >> S+ 0 0 98 -3,-0.4 3,-2.7 1,-0.2 4,-1.6 0.979 110.9 54.5 -55.5 -54.7 4.3 1.4 24.9 202 16 B M H 3X S+ 0 0 14 -4,-2.4 4,-1.3 1,-0.3 -1,-0.2 0.857 98.1 60.0 -46.1 -47.4 7.6 2.0 23.1 203 17 B T H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.648 109.7 47.2 -61.2 -10.0 5.8 3.4 19.9 204 18 B Q H X4 S+ 0 0 110 -3,-2.7 3,-2.1 -4,-0.4 4,-0.4 0.816 101.2 59.3 -96.7 -40.7 4.4 6.0 22.3 205 19 B Q H 3< S+ 0 0 30 -4,-1.6 3,-0.4 1,-0.3 -2,-0.2 0.712 99.4 62.9 -59.1 -21.6 7.6 7.0 24.1 206 20 B L T 3< S+ 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.663 104.0 46.4 -70.2 -20.5 8.8 7.9 20.6 207 21 B N S < S+ 0 0 93 -3,-2.1 -2,-0.2 6,-0.1 -1,-0.2 0.383 95.1 116.6-104.9 3.5 6.0 10.5 20.5 208 22 B S - 0 0 21 -3,-0.4 -3,-0.1 -4,-0.4 6,-0.0 -0.120 64.4-138.8 -72.2 162.1 7.0 11.7 24.0 209 23 B D S S+ 0 0 160 4,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.774 78.9 88.8 -94.2 -35.4 8.3 15.2 25.0 210 24 B D S > S- 0 0 74 1,-0.1 4,-1.7 2,-0.1 3,-0.5 -0.535 70.9-146.7 -70.0 125.9 11.0 14.1 27.5 211 25 B M H > S+ 0 0 90 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.744 97.2 57.7 -71.2 -22.9 14.2 13.5 25.5 212 26 B Q H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.823 107.4 51.2 -72.9 -30.0 15.4 10.7 27.8 213 27 B E H > S+ 0 0 70 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.926 111.2 44.4 -67.5 -50.7 12.1 8.9 26.9 214 28 B Q H X S+ 0 0 28 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.850 116.5 47.7 -64.3 -36.6 12.5 9.3 23.1 215 29 B L H X S+ 0 0 23 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.958 110.4 50.8 -68.1 -53.4 16.1 8.2 23.2 216 30 B S H X S+ 0 0 52 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.937 114.6 43.1 -47.1 -58.9 15.5 5.2 25.4 217 31 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.817 110.9 55.7 -60.7 -38.0 12.7 3.9 23.1 218 32 B T H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.862 108.0 49.0 -64.8 -36.6 14.7 4.7 20.0 219 33 B R H X S+ 0 0 118 -4,-2.4 4,-2.9 -3,-0.3 -2,-0.2 0.961 110.0 50.1 -66.6 -53.4 17.6 2.5 21.3 220 34 B K H X S+ 0 0 87 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.903 109.3 52.7 -46.9 -49.1 15.4 -0.4 22.1 221 35 B F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.913 111.2 46.5 -57.5 -40.6 13.9 -0.2 18.7 222 36 B S H X S+ 0 0 6 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.889 111.8 51.5 -67.9 -38.3 17.4 -0.3 17.2 223 37 B Q H X S+ 0 0 108 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.963 111.9 45.5 -63.4 -51.7 18.3 -3.2 19.4 224 38 B I H X S+ 0 0 32 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.949 116.8 46.7 -50.3 -53.5 15.2 -5.2 18.4 225 39 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.891 115.8 42.4 -63.7 -41.8 15.9 -4.3 14.7 226 40 B S H X S+ 0 0 25 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.811 110.4 56.4 -76.6 -28.4 19.6 -5.2 14.7 227 41 B D H X S+ 0 0 59 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.941 110.6 46.0 -64.9 -41.8 19.2 -8.4 16.8 228 42 B G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 3,-0.3 0.956 111.9 49.1 -65.8 -52.8 16.7 -9.7 14.2 229 43 B N H X S+ 0 0 34 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.849 111.3 51.8 -51.6 -37.1 18.9 -8.7 11.2 230 44 B E H X S+ 0 0 119 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.802 105.6 53.1 -75.2 -26.7 21.9 -10.4 13.0 231 45 B Q H < S+ 0 0 55 -4,-1.7 4,-0.2 -3,-0.3 -2,-0.2 0.937 113.5 45.3 -69.1 -41.0 20.0 -13.7 13.5 232 46 B I H >X S+ 0 0 10 -4,-2.1 3,-1.7 1,-0.2 4,-1.7 0.958 114.2 46.3 -65.8 -48.1 19.2 -13.7 9.9 233 47 B Q H 3X S+ 0 0 65 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.834 104.7 63.6 -59.8 -36.2 22.8 -12.8 8.8 234 48 B A H 3< S+ 0 0 43 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.486 104.6 46.9 -65.9 -5.5 24.1 -15.4 11.2 235 49 B V H <4>S+ 0 0 0 -3,-1.7 5,-1.0 -4,-0.2 6,-0.4 0.766 111.4 48.2-101.0 -44.3 22.2 -18.1 9.1 236 50 B I H ><5S+ 0 0 21 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.859 115.7 47.2 -59.4 -34.7 23.4 -16.9 5.7 237 51 B D T 3<5S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.693 95.1 73.1 -86.4 -17.0 26.9 -16.7 7.2 238 52 B A T 3 5S- 0 0 29 -3,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.544 109.7-115.4 -73.2 -6.1 26.8 -20.2 8.7 239 53 B G T <>5S+ 0 0 40 -3,-0.7 4,-0.6 -4,-0.3 -3,-0.1 0.644 77.1 127.8 83.4 15.3 27.1 -21.7 5.3 240 54 B A H >>< + 0 0 0 -5,-1.0 4,-2.8 1,-0.2 3,-1.0 0.896 49.2 79.8 -72.8 -42.6 23.6 -23.3 5.2 241 55 B L H 3> S+ 0 0 5 -6,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.791 93.5 48.2 -37.0 -48.3 22.3 -21.9 2.0 242 56 B P H 3> S+ 0 0 68 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.927 114.3 44.6 -67.9 -37.3 24.1 -24.4 -0.2 243 57 B A H < S+ 0 0 17 -4,-2.5 3,-0.9 -5,-0.3 -1,-0.2 0.812 107.8 51.7 -62.4 -30.6 19.7 -25.6 -1.8 246 60 B Q H >< S+ 0 0 136 -4,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.735 100.8 61.1 -77.7 -26.0 20.7 -29.3 -2.1 247 61 B L G >< S+ 0 0 15 -4,-1.2 3,-1.0 -3,-0.3 -1,-0.3 0.435 81.5 84.2 -80.9 2.0 17.7 -30.3 0.0 248 62 B L G < S+ 0 0 4 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.535 96.0 43.0 -76.5 -4.5 15.5 -28.8 -2.7 249 63 B S G < S+ 0 0 86 -3,-1.1 -1,-0.2 7,-0.0 -2,-0.2 0.038 84.4 140.0-128.8 19.5 15.9 -32.2 -4.4 250 64 B S < - 0 0 12 -3,-1.0 -3,-0.1 2,-0.2 6,-0.0 -0.309 57.1-134.2 -56.2 147.0 15.4 -34.3 -1.3 251 65 B P S S+ 0 0 126 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.817 92.0 82.0 -74.6 -26.2 13.3 -37.4 -1.9 252 66 B N S > S- 0 0 40 1,-0.1 4,-2.7 2,-0.0 -2,-0.2 -0.659 71.7-156.7 -83.5 114.5 11.5 -36.5 1.3 253 67 B E H > S+ 0 0 100 -2,-0.7 4,-1.3 1,-0.2 -1,-0.1 0.639 90.4 54.5 -71.6 -15.0 8.9 -33.9 0.4 254 68 B Q H > S+ 0 0 50 2,-0.2 4,-2.0 3,-0.1 5,-0.3 0.914 110.4 45.2 -79.4 -51.8 8.7 -32.5 4.0 255 69 B I H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.956 111.7 54.6 -52.9 -54.2 12.4 -31.8 4.1 256 70 B L H X S+ 0 0 18 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.907 110.2 46.8 -42.3 -50.6 12.2 -30.4 0.6 257 71 B Q H X S+ 0 0 37 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.773 109.5 48.3 -74.4 -34.2 9.4 -27.9 1.8 258 72 B E H X S+ 0 0 41 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.812 113.8 51.5 -71.2 -31.6 11.0 -26.6 5.0 259 73 B A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.902 111.5 44.8 -66.5 -45.2 14.2 -26.0 3.0 260 74 B L H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.866 112.9 52.5 -71.8 -34.0 12.3 -24.1 0.3 261 75 B W H X S+ 0 0 102 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 109.1 48.4 -62.6 -50.7 10.5 -22.2 2.9 262 76 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 115.6 46.4 -57.7 -41.3 13.8 -21.2 4.6 263 77 B L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.910 110.6 48.5 -68.0 -42.8 15.3 -20.2 1.3 264 78 B S H < S+ 0 0 0 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.837 108.8 56.8 -73.5 -31.1 12.3 -18.2 0.1 265 79 B N H >< S+ 0 0 17 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.972 109.3 43.8 -59.0 -57.5 12.3 -16.4 3.4 266 80 B I H >< S+ 0 0 3 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.881 110.3 57.5 -49.0 -40.5 15.9 -15.3 3.0 267 81 B A T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.549 94.1 67.2 -78.3 -3.2 15.1 -14.4 -0.6 268 82 B S T < S+ 0 0 32 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.399 95.8 75.4 -89.1 -1.0 12.4 -12.1 0.7 269 83 B G S < S- 0 0 17 -3,-2.0 -195,-0.2 1,-0.2 -197,-0.1 0.078 92.2 -34.1 -94.8-156.5 15.1 -9.8 2.2 270 84 B G >> - 0 0 6 -199,-0.3 4,-2.3 -197,-0.1 3,-1.0 -0.000 66.6 -92.0 -63.9 168.3 17.6 -7.3 1.0 271 85 B N H 3> S+ 0 0 32 1,-0.3 4,-1.1 -199,-0.2 -1,-0.1 0.619 127.5 50.1 -59.0 -12.1 19.5 -7.3 -2.3 272 86 B E H 3> S+ 0 0 124 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.736 103.4 54.7-101.1 -24.2 22.3 -9.2 -0.6 273 87 B Q H <> S+ 0 0 21 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.901 111.3 50.3 -65.2 -39.8 20.2 -11.9 1.0 274 88 B I H X S+ 0 0 1 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.954 108.3 50.7 -60.3 -49.7 19.0 -12.4 -2.6 275 89 B Q H X S+ 0 0 46 -4,-1.1 4,-4.1 2,-0.2 5,-0.2 0.916 108.6 51.1 -54.4 -45.1 22.6 -12.6 -3.8 276 90 B A H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 112.2 47.5 -61.6 -42.1 23.5 -15.2 -1.2 277 91 B V H <>S+ 0 0 2 -4,-2.3 5,-1.4 2,-0.2 -2,-0.2 0.957 116.4 43.6 -61.0 -50.5 20.5 -17.2 -2.3 278 92 B I H ><5S+ 0 0 25 -4,-3.6 3,-2.3 1,-0.2 -2,-0.2 0.953 112.8 52.8 -54.2 -51.9 21.5 -16.8 -6.0 279 93 B D H 3<5S+ 0 0 123 -4,-4.1 -2,-0.2 1,-0.3 -1,-0.2 0.806 102.0 58.8 -57.5 -35.1 25.2 -17.5 -5.2 280 94 B A T 3<5S- 0 0 22 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.378 121.0-111.1 -76.1 6.0 24.3 -20.7 -3.4 281 95 B G T <>5 + 0 0 32 -3,-2.3 4,-0.7 -5,-0.1 -3,-0.2 0.888 69.9 142.8 70.2 43.7 22.7 -21.8 -6.8 282 96 B A H >< + 0 0 0 -5,-1.4 4,-3.0 -4,-0.2 5,-0.3 0.874 53.3 77.4 -79.6 -43.2 19.1 -21.8 -5.9 283 97 B L H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.832 96.7 43.6 -39.3 -54.0 17.8 -20.4 -9.2 284 98 B P H > S+ 0 0 82 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.972 116.0 47.5 -59.7 -52.4 18.1 -23.8 -11.1 285 99 B A H X S+ 0 0 24 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.918 114.7 47.7 -48.4 -49.3 16.6 -25.9 -8.3 286 100 B L H < S+ 0 0 4 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.869 110.3 51.0 -63.1 -40.4 13.8 -23.4 -7.9 287 101 B V H >< S+ 0 0 19 -4,-2.4 3,-1.4 -5,-0.3 4,-0.4 0.930 109.4 51.3 -65.6 -42.3 13.1 -23.3 -11.6 288 102 B Q H >< S+ 0 0 130 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.915 103.9 57.2 -55.1 -47.7 13.0 -27.1 -11.6 289 103 B L G >< S+ 0 0 17 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.626 89.4 78.4 -61.5 -12.2 10.5 -27.0 -8.7 290 104 B L G < S+ 0 0 4 -3,-1.4 2,-0.6 -4,-0.4 -1,-0.3 0.794 90.3 53.2 -65.8 -28.5 8.4 -24.9 -11.1 291 105 B S G < S+ 0 0 90 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.1 -0.509 87.2 134.6-103.9 61.4 7.3 -28.0 -12.9 292 106 B S < - 0 0 26 -2,-0.6 6,-0.1 -3,-0.5 -3,-0.0 -0.837 56.6-142.8-116.5 147.3 6.1 -29.8 -9.7 293 107 B P S S+ 0 0 126 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.852 87.5 80.7 -71.2 -37.4 2.9 -31.9 -9.0 294 108 B N S >> S- 0 0 49 1,-0.2 4,-1.9 2,-0.1 3,-1.7 -0.567 70.8-159.2 -76.7 93.2 2.6 -30.6 -5.4 295 109 B E H 3> S+ 0 0 56 -2,-1.5 4,-1.4 1,-0.3 -1,-0.2 0.586 88.4 60.6 -54.2 -10.9 1.0 -27.2 -6.1 296 110 B Q H 3> S+ 0 0 72 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.847 106.0 44.2 -80.5 -41.1 2.2 -26.0 -2.7 297 111 B I H <> S+ 0 0 7 -3,-1.7 4,-2.9 2,-0.2 3,-0.4 0.958 115.0 50.1 -65.2 -48.1 5.8 -26.5 -3.6 298 112 B L H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.904 111.2 48.8 -51.5 -48.3 5.2 -24.9 -7.0 299 113 B Q H X S+ 0 0 62 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.754 112.3 48.1 -69.9 -27.0 3.5 -21.9 -5.4 300 114 B E H X S+ 0 0 50 -4,-1.4 4,-2.3 -3,-0.4 5,-0.2 0.916 111.2 49.2 -79.2 -44.0 6.3 -21.4 -2.9 301 115 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.899 109.3 54.8 -58.1 -41.1 9.0 -21.7 -5.5 302 116 B L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.940 108.4 48.2 -52.8 -47.4 7.0 -19.1 -7.6 303 117 B W H X S+ 0 0 93 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.893 110.6 49.5 -68.9 -41.7 7.0 -16.7 -4.6 304 118 B A H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.912 111.8 49.8 -57.7 -44.8 10.7 -17.0 -4.0 305 119 B L H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.840 107.7 53.7 -70.0 -33.3 11.4 -16.4 -7.7 306 120 B S H < S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.932 111.3 46.2 -58.5 -46.4 9.1 -13.4 -7.6 307 121 B N H >< S+ 0 0 30 -4,-2.1 3,-1.7 1,-0.2 4,-0.5 0.920 111.4 50.1 -66.6 -43.8 11.2 -12.0 -4.7 308 122 B I H >< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.789 110.1 52.1 -64.1 -25.9 14.5 -12.8 -6.3 309 123 B A T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.396 93.1 75.7 -91.3 5.1 13.2 -11.0 -9.5 310 124 B S T < S+ 0 0 22 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.717 88.9 70.7 -83.7 -22.8 12.3 -8.0 -7.4 311 125 B G S < S- 0 0 9 -3,-0.5 5,-0.1 -4,-0.5 -197,-0.1 0.358 96.2 -27.9 -78.5-152.0 15.9 -6.9 -7.1 312 126 B G >> - 0 0 14 1,-0.1 4,-2.2 -41,-0.1 3,-1.4 -0.161 61.9-104.5 -70.8 157.9 18.5 -5.4 -9.5 313 127 B N H 3> S+ 0 0 32 -158,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.710 120.6 56.6 -56.0 -24.4 18.5 -6.0 -13.2 314 128 B E H 3> S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.852 108.0 47.0 -73.4 -35.5 21.4 -8.5 -12.9 315 129 B Q H <> S+ 0 0 5 -3,-1.4 4,-2.3 2,-0.3 -2,-0.2 0.909 109.1 52.6 -74.5 -41.3 19.5 -10.6 -10.4 316 130 B I H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.901 110.8 52.0 -54.0 -37.4 16.4 -10.5 -12.7 317 131 B Q H X S+ 0 0 37 -4,-1.3 4,-3.1 -5,-0.3 -2,-0.3 0.862 103.3 53.3 -71.0 -38.1 19.0 -11.7 -15.3 318 132 B A H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.905 111.6 49.0 -62.2 -38.8 20.3 -14.6 -13.2 319 133 B V H <>S+ 0 0 1 -4,-2.3 5,-1.1 2,-0.2 -2,-0.2 0.941 111.7 47.5 -59.9 -49.0 16.6 -15.6 -13.0 320 134 B I H ><5S+ 0 0 19 -4,-2.4 3,-1.0 1,-0.2 5,-0.3 0.871 112.1 51.0 -63.1 -36.9 16.3 -15.3 -16.7 321 135 B D H 3<5S+ 0 0 118 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 99.0 62.9 -68.9 -35.4 19.5 -17.3 -17.2 322 136 B A T 3<5S- 0 0 29 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.528 118.9-113.8 -67.0 -1.4 18.2 -20.1 -14.9 323 137 B G T <>5 + 0 0 33 -3,-1.0 4,-0.5 -4,-0.2 -3,-0.2 0.925 69.0 144.3 71.5 46.9 15.5 -20.5 -17.6 324 138 B A H >< + 0 0 0 -5,-1.1 4,-2.5 1,-0.1 5,-0.2 0.744 52.4 81.3 -79.4 -26.7 12.5 -19.4 -15.6 325 139 B L H > S+ 0 0 9 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.878 93.7 38.6 -57.2 -55.1 10.9 -17.7 -18.5 326 140 B P H > S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.951 117.9 51.5 -58.8 -49.4 9.2 -20.6 -20.4 327 141 B A H X S+ 0 0 21 -4,-0.5 4,-1.0 1,-0.2 -2,-0.2 0.864 113.9 44.9 -53.6 -37.2 8.3 -22.2 -17.1 328 142 B L H < S+ 0 0 1 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.814 111.2 51.7 -82.4 -31.6 6.7 -18.9 -16.0 329 143 B V H >X S+ 0 0 11 -4,-2.6 3,-1.1 -5,-0.2 4,-0.6 0.877 107.1 54.4 -69.1 -38.2 5.0 -18.4 -19.4 330 144 B Q H >X S+ 0 0 135 -4,-2.8 3,-0.6 1,-0.2 4,-0.6 0.819 100.7 60.5 -62.0 -34.8 3.4 -21.9 -19.2 331 145 B L H 3< S+ 0 0 20 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.553 87.7 73.2 -75.4 -8.5 1.9 -21.2 -15.7 332 146 B L H <4 S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.921 96.4 50.2 -65.8 -41.9 -0.1 -18.3 -17.2 333 147 B S H << S+ 0 0 83 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.809 87.3 122.6 -63.4 -30.6 -2.4 -20.9 -18.8 334 148 B S < - 0 0 16 -4,-0.6 6,-0.1 1,-0.1 -3,-0.0 0.119 62.4-139.1 -37.7 143.2 -2.7 -22.7 -15.5 335 149 B P S S+ 0 0 113 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.812 80.6 86.8 -80.5 -34.6 -6.3 -23.2 -14.1 336 150 B N > - 0 0 8 1,-0.2 4,-2.1 2,-0.0 3,-0.4 -0.608 66.8-155.3 -71.2 111.2 -5.5 -22.4 -10.5 337 151 B E H > S+ 0 0 76 -2,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.639 88.5 68.6 -64.4 -18.5 -5.7 -18.6 -10.1 338 152 B Q H > S+ 0 0 49 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.989 110.2 33.0 -58.1 -58.5 -3.4 -18.7 -7.1 339 153 B I H > S+ 0 0 0 -3,-0.4 4,-3.5 2,-0.2 5,-0.3 0.924 111.7 59.7 -65.5 -52.9 -0.5 -19.6 -9.4 340 154 B L H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.884 108.5 50.7 -44.8 -42.1 -1.5 -17.7 -12.5 341 155 B Q H X S+ 0 0 65 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.917 113.1 40.5 -66.8 -48.7 -1.3 -14.6 -10.3 342 156 B E H X S+ 0 0 44 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.965 113.4 55.8 -65.4 -46.2 2.1 -15.2 -8.9 343 157 B A H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.3 -2,-0.2 0.872 111.4 44.8 -49.0 -42.2 3.3 -16.4 -12.3 344 158 B L H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.3 0.819 110.5 53.2 -73.9 -35.6 2.2 -13.1 -13.7 345 159 B W H X S+ 0 0 124 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.973 108.6 51.6 -60.4 -51.6 3.6 -11.1 -10.8 346 160 B A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.3 -2,-0.2 0.886 112.2 43.7 -53.3 -49.8 7.0 -12.8 -11.5 347 161 B L H X S+ 0 0 3 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.794 112.3 53.9 -69.2 -31.2 7.0 -11.9 -15.2 348 162 B S H X S+ 0 0 4 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.916 106.9 51.1 -67.6 -43.1 5.8 -8.4 -14.5 349 163 B N H < S+ 0 0 28 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.867 114.5 44.8 -56.2 -37.5 8.8 -8.0 -12.1 350 164 B I H >< S+ 0 0 1 -4,-1.6 3,-1.1 -5,-0.2 -2,-0.2 0.755 104.9 60.9 -79.1 -25.9 10.9 -9.2 -15.0 351 165 B A H 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.695 96.3 65.2 -69.8 -17.9 9.1 -6.9 -17.4 352 166 B S T 3< S+ 0 0 23 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.518 88.4 83.3 -87.7 -6.7 10.4 -4.1 -15.2 353 167 B G S < S- 0 0 4 -3,-1.1 -195,-0.2 1,-0.2 -3,-0.0 0.242 89.2 -53.2 -74.4-154.7 14.0 -4.7 -16.0 354 168 B G >> - 0 0 19 -41,-0.1 4,-2.5 -197,-0.1 3,-1.6 -0.074 60.1 -84.2 -82.5 179.6 16.0 -3.5 -19.0 355 169 B N H 3> S+ 0 0 126 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.809 128.3 48.7 -51.4 -35.5 15.6 -3.7 -22.8 356 170 B E H 34 S+ 0 0 126 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.469 109.3 50.3 -95.0 -4.1 17.1 -7.2 -22.8 357 171 B Q H <> S+ 0 0 8 -3,-1.6 4,-1.7 2,-0.1 -2,-0.2 0.794 112.3 48.5 -85.9 -44.9 15.1 -8.6 -20.0 358 172 B K H X S+ 0 0 25 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.822 109.8 53.6 -59.9 -35.2 11.9 -7.3 -21.8 359 173 B Q H X S+ 0 0 90 -4,-1.3 4,-3.3 -5,-0.3 -1,-0.2 0.878 107.1 49.8 -70.6 -38.1 13.2 -8.9 -24.9 360 174 B A H > S+ 0 0 23 -4,-0.5 4,-0.6 2,-0.2 -2,-0.2 0.796 107.5 54.4 -70.8 -31.4 13.6 -12.3 -23.3 361 175 B V H <>S+ 0 0 0 -4,-1.7 5,-1.8 2,-0.2 3,-0.5 0.918 115.3 40.3 -64.5 -44.4 10.1 -12.1 -21.8 362 176 B K H ><5S+ 0 0 67 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.927 111.4 56.8 -66.4 -47.3 8.9 -11.5 -25.4 363 177 B E H 3<5S+ 0 0 147 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.617 105.7 53.4 -59.6 -15.1 11.3 -14.1 -26.8 364 178 B A T 3<5S- 0 0 32 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.425 123.5 -97.2-106.2 -0.6 9.8 -16.7 -24.4 365 179 B G T <>5S+ 0 0 39 -3,-1.8 4,-0.8 -4,-0.3 3,-0.5 0.577 78.5 131.6 108.8 13.2 6.2 -16.2 -25.5 366 180 B A H >< + 0 0 0 -5,-1.8 4,-2.9 1,-0.2 5,-0.4 0.854 58.6 72.4 -65.6 -38.8 4.6 -13.9 -23.0 367 181 B L H > S+ 0 0 63 1,-0.2 4,-1.7 -5,-0.2 -1,-0.2 0.803 100.6 41.3 -52.3 -43.6 2.9 -11.4 -25.4 368 182 B E H > S+ 0 0 137 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.984 118.1 43.0 -69.8 -62.0 0.1 -13.7 -26.6 369 183 B K H < S+ 0 0 60 -4,-0.8 4,-0.5 2,-0.2 3,-0.3 0.933 116.6 49.0 -45.0 -57.4 -0.9 -15.3 -23.3 370 184 B L H >< S+ 0 0 2 -4,-2.9 3,-1.6 1,-0.2 4,-0.4 0.934 111.0 51.9 -49.4 -50.6 -0.6 -12.0 -21.5 371 185 B E H >< S+ 0 0 122 -4,-1.7 3,-0.8 -5,-0.4 -1,-0.2 0.840 109.4 47.5 -57.1 -40.6 -2.8 -10.4 -24.3 372 186 B Q T 3< S+ 0 0 102 -4,-2.3 -1,-0.3 -3,-0.3 3,-0.3 0.391 90.6 83.6 -86.2 3.4 -5.5 -13.0 -24.0 373 187 B L T X S+ 0 0 12 -3,-1.6 3,-2.0 -4,-0.5 -1,-0.2 0.692 70.2 80.4 -79.5 -18.3 -5.7 -12.7 -20.2 374 188 B Q T < S+ 0 0 58 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.948 85.7 58.4 -45.2 -56.5 -8.0 -9.7 -20.6 375 189 B S T 3 S+ 0 0 111 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.232 80.8 120.5 -65.5 16.0 -10.9 -12.1 -21.2 376 190 B H < - 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0 0 26 -2,-0.9 6,-0.1 -3,-0.5 -3,-0.1 -0.906 52.0-150.2-113.9 137.5 -21.5 9.9 27.7 687 107 D P S S+ 0 0 124 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.944 86.5 80.2 -61.1 -49.5 -24.6 12.1 27.3 688 108 D N S >> S- 0 0 56 1,-0.2 4,-1.9 2,-0.1 3,-0.9 -0.459 72.8-158.6 -66.0 99.9 -25.0 11.0 23.7 689 109 D E H 3> S+ 0 0 91 -2,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.606 86.8 61.9 -57.5 -14.1 -26.7 7.6 24.3 690 110 D Q H 3> S+ 0 0 128 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.902 105.3 44.3 -78.2 -43.8 -25.6 6.5 20.8 691 111 D I H <> S+ 0 0 6 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.951 111.8 54.8 -63.9 -47.4 -21.9 6.8 21.6 692 112 D L H X S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.918 108.2 48.1 -46.7 -53.9 -22.4 5.1 25.0 693 113 D Q H X S+ 0 0 71 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.804 112.2 47.6 -67.2 -35.4 -24.1 2.1 23.4 694 114 D E H X S+ 0 0 49 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.959 111.3 51.2 -69.2 -48.2 -21.4 1.6 20.8 695 115 D A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.894 110.7 51.2 -50.6 -42.6 -18.7 1.9 23.5 696 116 D L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.912 108.0 51.0 -58.1 -45.2 -20.6 -0.7 25.4 697 117 D W H X S+ 0 0 87 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.883 110.4 48.7 -66.5 -39.8 -20.7 -3.0 22.4 698 118 D A H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.951 112.7 48.3 -61.2 -48.8 -17.0 -2.7 21.9 699 119 D L H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.846 111.0 50.5 -63.3 -36.8 -16.3 -3.4 25.6 700 120 D S H < S+ 0 0 2 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.886 112.0 47.7 -63.9 -41.6 -18.6 -6.4 25.5 701 121 D N H >< S+ 0 0 27 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.914 113.2 47.7 -66.9 -44.2 -16.8 -7.7 22.5 702 122 D I H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.830 108.9 53.6 -66.1 -33.9 -13.4 -7.1 24.1 703 123 D A T 3< S+ 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.410 95.6 74.1 -80.6 4.7 -14.6 -8.8 27.3 704 124 D S T < S+ 0 0 23 -3,-1.3 -1,-0.2 5,-0.1 -2,-0.2 0.739 89.8 63.7 -87.9 -26.6 -15.6 -11.8 25.2 705 125 D G S < S- 0 0 4 -3,-0.7 5,-0.2 -4,-0.5 -195,-0.1 0.334 97.1 -12.7 -80.0-149.9 -12.0 -13.1 24.6 706 126 D G > - 0 0 10 1,-0.1 4,-1.7 -199,-0.1 3,-0.2 0.150 63.1-111.6 -50.8 162.1 -9.2 -14.4 26.7 707 127 D N H > S+ 0 0 25 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.749 119.1 56.4 -67.4 -23.1 -9.2 -14.1 30.5 708 128 D E H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 104.9 52.4 -72.3 -35.2 -6.3 -11.6 30.3 709 129 D Q H > S+ 0 0 4 2,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.880 104.9 52.9 -71.6 -38.9 -8.4 -9.4 28.0 710 130 D I H X S+ 0 0 4 -4,-1.7 4,-3.3 1,-0.2 -1,-0.2 0.895 108.9 53.9 -56.7 -39.9 -11.3 -9.4 30.5 711 131 D Q H X S+ 0 0 45 -4,-1.2 4,-2.7 2,-0.2 -2,-0.3 0.863 103.9 52.1 -65.4 -37.6 -8.6 -8.3 32.9 712 132 D A H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.952 112.9 47.0 -62.4 -46.7 -7.5 -5.4 30.7 713 133 D V H <>S+ 0 0 1 -4,-2.5 5,-1.9 1,-0.2 3,-0.5 0.955 114.8 45.5 -51.2 -55.5 -11.2 -4.5 30.7 714 134 D I H ><5S+ 0 0 16 -4,-3.3 3,-0.6 1,-0.2 5,-0.3 0.815 113.7 50.6 -61.1 -32.4 -11.4 -4.9 34.5 715 135 D D H 3<5S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.716 100.0 60.0 -83.7 -23.2 -8.1 -2.9 34.9 716 136 D A T 3<5S- 0 0 30 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.407 120.7-113.7 -79.9 4.4 -9.2 -0.0 32.7 717 137 D G T <>5 + 0 0 31 -3,-0.6 4,-0.7 -5,-0.2 -3,-0.2 0.822 67.6 149.0 71.6 33.5 -11.9 0.2 35.4 718 138 D A H >< + 0 0 0 -5,-1.9 4,-1.7 1,-0.2 -4,-0.1 0.840 56.2 79.2 -59.6 -29.1 -14.8 -0.7 33.1 719 139 D L H > S+ 0 0 7 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.732 92.1 36.8 -63.8 -45.5 -16.5 -2.3 36.1 720 140 D P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.913 117.8 53.4 -71.1 -40.8 -18.1 0.5 38.2 721 141 D A H X S+ 0 0 23 -4,-0.7 4,-0.6 1,-0.2 -2,-0.2 0.846 114.0 45.3 -56.1 -34.0 -19.0 2.4 35.1 722 142 D L H >< S+ 0 0 1 -4,-1.7 3,-0.7 2,-0.2 4,-0.4 0.909 109.5 50.3 -78.2 -49.4 -20.7 -0.8 34.0 723 143 D V H >< S+ 0 0 9 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.812 106.4 59.4 -56.9 -33.7 -22.5 -1.6 37.2 724 144 D Q H >< S+ 0 0 138 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.813 98.6 58.2 -64.9 -32.2 -23.8 2.0 37.2 725 145 D L T << S+ 0 0 22 -3,-0.7 3,-0.4 -4,-0.6 -1,-0.2 0.591 86.0 78.5 -77.5 -9.0 -25.5 1.3 33.8 726 146 D L T < S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.798 96.1 46.8 -66.3 -28.0 -27.5 -1.6 35.3 727 147 D S S < S+ 0 0 82 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.559 85.2 120.1 -91.7 -9.8 -29.8 1.0 36.8 728 148 D S - 0 0 17 -3,-0.4 6,-0.1 -4,-0.3 -3,-0.0 -0.223 61.3-141.8 -49.4 142.9 -30.0 2.9 33.5 729 149 D P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.934 75.3 95.2 -79.0 -51.2 -33.7 3.0 32.3 730 150 D N > - 0 0 37 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.228 69.8-149.5 -40.9 113.9 -33.0 2.7 28.6 731 151 D E H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.694 89.7 59.3 -71.8 -22.8 -33.5 -1.1 28.2 732 152 D Q H > S+ 0 0 120 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.959 109.8 42.6 -68.6 -51.5 -31.0 -1.5 25.3 733 153 D I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.924 113.1 51.0 -59.6 -51.9 -28.2 -0.1 27.4 734 154 D L H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.900 108.0 57.3 -51.7 -43.7 -29.1 -2.1 30.5 735 155 D Q H X S+ 0 0 68 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.917 111.9 38.0 -52.8 -52.4 -29.2 -5.1 28.3 736 156 D E H >X S+ 0 0 42 -4,-1.8 4,-2.6 2,-0.2 3,-1.3 0.993 110.7 57.2 -69.4 -58.8 -25.6 -4.7 27.1 737 157 D A H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.825 110.3 48.2 -35.7 -43.9 -24.1 -3.6 30.4 738 158 D L H 3X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.3 0.849 111.1 48.5 -71.1 -38.4 -25.4 -6.8 31.8 739 159 D W H < S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.3 -2,-0.2 0.849 104.8 62.3 -76.1 -33.8 -16.7 -10.8 32.8 745 165 D A H 3< S+ 0 0 1 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.779 93.9 69.0 -56.4 -25.8 -18.5 -13.0 35.3 746 166 D S T 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.638 85.2 88.5 -71.1 -16.3 -17.3 -15.7 33.0 747 167 D G S < S- 0 0 6 -3,-2.0 2,-0.1 -4,-0.2 -197,-0.0 0.174 85.8 -80.6 -67.5-166.7 -13.7 -15.2 34.0 748 168 D G >> - 0 0 21 -197,-0.1 4,-2.7 -41,-0.1 3,-1.4 -0.194 58.0 -72.2 -89.9-176.5 -11.8 -16.9 36.9 749 169 D N H 3> S+ 0 0 106 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.844 129.9 54.7 -42.3 -47.8 -11.7 -16.1 40.7 750 170 D E H 3> S+ 0 0 155 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.783 115.8 37.8 -65.2 -29.5 -9.7 -12.9 40.2 751 171 D Q H <> S+ 0 0 13 -3,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.894 115.6 50.4 -84.7 -48.8 -12.2 -11.5 37.7 752 172 D K H X S+ 0 0 39 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.821 108.2 56.0 -58.8 -33.8 -15.4 -12.7 39.4 753 173 D Q H X S+ 0 0 94 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.905 105.1 50.3 -67.4 -42.2 -14.1 -11.2 42.6 754 174 D A H < S+ 0 0 28 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.722 107.9 54.9 -68.1 -23.2 -13.7 -7.7 41.1 755 175 D V H ><>S+ 0 0 1 -4,-1.2 3,-1.4 2,-0.2 5,-1.3 0.943 111.7 43.1 -70.7 -51.3 -17.3 -8.0 39.7 756 176 D K H ><5S+ 0 0 68 -4,-2.2 3,-2.2 1,-0.3 5,-0.3 0.943 110.9 56.3 -50.9 -52.1 -18.5 -8.7 43.3 757 177 D E T 3<5S+ 0 0 155 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.280 100.3 59.7 -73.3 9.8 -16.3 -6.0 44.7 758 178 D A T < 5S- 0 0 32 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.406 120.0-103.5-113.3 -3.8 -17.8 -3.4 42.3 759 179 D G T X>5S+ 0 0 38 -3,-2.2 4,-1.3 -4,-0.3 3,-0.8 0.330 82.4 129.0 103.7 -4.8 -21.4 -3.9 43.6 760 180 D A H 3>< + 0 0 0 -5,-1.3 4,-2.6 1,-0.2 5,-0.4 0.859 59.9 69.6 -48.6 -45.0 -22.7 -5.9 40.8 761 181 D L H 3> S+ 0 0 70 -6,-0.3 4,-1.9 -5,-0.3 -1,-0.2 0.847 105.5 36.5 -45.8 -50.0 -24.0 -8.7 43.1 762 182 D E H <> S+ 0 0 129 -3,-0.8 4,-2.1 2,-0.2 5,-0.2 0.943 116.3 48.3 -74.4 -51.7 -26.8 -6.6 44.6 763 183 D K H X S+ 0 0 58 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.828 117.4 47.2 -59.5 -30.1 -28.0 -4.5 41.6 764 184 D L H < S+ 0 0 2 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.2 0.885 106.1 58.5 -73.7 -42.5 -28.0 -7.8 39.7 765 185 D E H >< S+ 0 0 118 -4,-1.9 3,-0.7 -5,-0.4 -2,-0.2 0.882 109.0 43.2 -55.3 -43.1 -29.9 -9.5 42.5 766 186 D Q H 3< S+ 0 0 116 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.664 92.4 80.8 -82.6 -17.4 -32.8 -7.1 42.3 767 187 D L T >< S+ 0 0 11 -4,-0.6 3,-0.5 -3,-0.5 -1,-0.3 0.331 75.7 89.2 -68.0 10.6 -32.9 -7.1 38.5 768 188 D Q T < S+ 0 0 46 -3,-0.7 2,-3.4 1,-0.2 -1,-0.2 0.994 80.0 46.4 -72.2 -70.5 -34.8 -10.4 39.1 769 189 D S T 3 S+ 0 0 109 -3,-0.4 -1,-0.2 7,-0.1 2,-0.2 -0.266 87.7 145.2 -71.5 56.8 -38.4 -9.2 39.3 770 190 D H < - 0 0 36 -2,-3.4 6,-0.1 -3,-0.5 -3,-0.0 -0.622 57.9-123.2 -91.4 156.7 -37.8 -7.1 36.2 771 191 D E S S+ 0 0 137 -2,-0.2 2,-1.1 1,-0.2 -1,-0.1 0.981 101.3 61.0 -64.2 -59.5 -40.5 -6.6 33.6 772 192 D N S >> S- 0 0 51 1,-0.2 3,-2.1 2,-0.1 4,-1.4 -0.594 74.2-161.8 -72.6 100.7 -38.6 -8.0 30.6 773 193 D E H 3> S+ 0 0 134 -2,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.383 86.6 67.5 -75.9 6.1 -38.0 -11.6 31.7 774 194 D K H 3> S+ 0 0 160 2,-0.2 4,-1.9 3,-0.2 -1,-0.3 0.652 105.3 45.1 -84.1 -24.9 -35.2 -12.0 29.2 775 195 D I H <> S+ 0 0 0 -3,-2.1 4,-1.3 2,-0.2 -2,-0.3 0.811 112.0 51.8 -79.4 -36.2 -33.5 -9.4 31.4 776 196 D Q H >X S+ 0 0 64 -4,-1.4 4,-2.1 2,-0.2 3,-1.0 0.994 113.6 44.2 -57.2 -61.8 -34.7 -11.5 34.3 777 197 D K H 3X S+ 0 0 99 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.926 110.8 52.9 -41.5 -61.9 -33.2 -14.6 32.7 778 198 D E H 3X S+ 0 0 18 -4,-1.9 4,-1.3 1,-0.3 -1,-0.2 0.687 110.3 47.4 -60.2 -24.3 -29.9 -13.0 31.7 779 199 D A H