==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-DEC-07 3BTL . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.SCHUMACHER,J.T.SCHUMAN,R.G.BRENNAN . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 81.0 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 . 26 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 459 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 1 4 5 0 0 1 0 0 4 1 1 7 3 1 1 2 0 2 0 0 2 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 2 B N 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.0 -97.6 -75.2 12.0 2 3 B L >> + 0 0 63 3,-0.1 4,-2.3 31,-0.0 3,-0.8 0.375 360.0 52.0-148.7 -49.4 -94.1 -76.1 10.8 3 4 B K H 3> S+ 0 0 83 1,-0.3 4,-0.5 2,-0.2 0, 0.0 0.699 124.1 37.1 -69.5 -17.7 -93.5 -74.9 7.3 4 5 B D H 34 S+ 0 0 86 2,-0.1 -1,-0.3 3,-0.1 4,-0.2 0.265 112.9 57.7-113.6 5.1 -94.7 -71.5 8.7 5 6 B K H <> S+ 0 0 105 -3,-0.8 4,-1.9 2,-0.1 -2,-0.2 0.678 103.2 53.0-102.7 -30.2 -93.0 -72.0 12.0 6 7 B I H >X S+ 0 0 4 -4,-2.3 4,-3.3 2,-0.2 3,-0.7 0.992 107.0 51.6 -64.3 -61.0 -89.6 -72.4 10.5 7 8 B L H 3X S+ 0 0 13 -4,-0.5 4,-2.5 1,-0.3 5,-0.3 0.832 108.6 54.9 -42.5 -39.0 -90.0 -69.1 8.6 8 9 B G H 3> S+ 0 0 42 2,-0.2 4,-1.4 -4,-0.2 -1,-0.3 0.920 113.2 37.7 -65.0 -46.0 -90.9 -67.6 11.9 9 10 B V H S+ 0 0 7 -4,-2.5 4,-1.5 -3,-0.4 5,-1.1 0.881 111.8 55.5 -72.0 -40.5 -82.6 -65.2 13.7 14 15 B F H <5S+ 0 0 2 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.938 114.4 41.2 -57.6 -46.4 -81.8 -63.5 10.4 15 16 B I H <5S+ 0 0 65 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.987 122.1 39.2 -64.5 -59.6 -82.8 -60.1 11.9 16 17 B K H <5S+ 0 0 110 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.977 134.1 13.4 -55.1 -72.0 -81.2 -60.6 15.3 17 18 B N T <5S- 0 0 30 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.996 105.0-114.1 -71.8 -73.7 -77.9 -62.3 14.5 18 19 B G >< - 0 0 5 -5,-1.1 4,-1.4 1,-0.2 -1,-0.2 -0.876 29.8 -69.7 154.5 176.8 -77.4 -62.0 10.8 19 20 B Y T >4 S+ 0 0 4 -2,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.994 130.1 26.2 -60.8 -71.4 -77.2 -64.1 7.6 20 21 B N T 34 S+ 0 0 65 1,-0.3 -1,-0.2 77,-0.1 -2,-0.1 0.879 115.3 69.5 -59.5 -37.6 -73.9 -66.0 8.0 21 22 B A T 34 S+ 0 0 53 -7,-0.1 2,-0.4 -4,-0.1 -1,-0.3 0.819 100.0 51.1 -49.4 -38.5 -74.4 -65.6 11.8 22 23 B T S << S- 0 0 1 -4,-1.4 2,-0.3 -3,-1.0 -1,-0.0 -0.884 74.6-170.6-108.2 137.0 -77.4 -68.0 11.6 23 24 B T > - 0 0 64 -2,-0.4 4,-1.9 1,-0.0 3,-0.5 -0.804 42.2 -96.0-123.6 166.1 -77.1 -71.4 9.9 24 25 B T H > S+ 0 0 79 -2,-0.3 4,-0.9 1,-0.2 5,-0.2 0.592 121.5 60.0 -54.2 -11.3 -79.4 -74.3 8.9 25 26 B G H > S+ 0 0 38 2,-0.1 4,-2.5 3,-0.1 5,-0.3 0.944 105.0 43.0 -81.9 -53.4 -78.5 -75.9 12.2 26 27 B E H > S+ 0 0 74 -3,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.920 111.1 56.1 -56.4 -50.0 -79.7 -73.2 14.5 27 28 B I H < S+ 0 0 5 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.921 114.7 37.7 -49.6 -53.9 -83.0 -72.7 12.6 28 29 B V H >X>S+ 0 0 13 -4,-0.9 3,-2.9 -5,-0.2 5,-1.0 0.987 115.2 51.0 -64.5 -61.3 -84.0 -76.4 12.9 29 30 B K H 3<5S+ 0 0 173 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.803 114.2 47.3 -47.0 -33.4 -82.7 -77.1 16.4 30 31 B L T 3<5S+ 0 0 96 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.486 110.9 51.0 -89.7 -3.7 -84.6 -74.0 17.5 31 32 B S T <45S- 0 0 12 -3,-2.9 -1,-0.2 -4,-0.3 -2,-0.2 0.249 111.1-115.2-114.0 8.9 -87.8 -74.9 15.7 32 33 B E T <5S+ 0 0 156 -4,-0.6 2,-0.2 -3,-0.5 -3,-0.2 0.956 78.0 107.3 54.5 56.6 -88.0 -78.5 17.1 33 34 B S < - 0 0 34 -5,-1.0 2,-0.3 -6,-0.0 -1,-0.2 -0.572 63.3-102.1-138.3-158.8 -87.5 -80.2 13.7 34 35 B S > - 0 0 40 -2,-0.2 3,-0.6 -3,-0.1 4,-0.1 -0.850 28.7-109.3-132.9 167.8 -85.0 -82.1 11.7 35 36 B K G > S+ 0 0 169 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.905 116.9 60.8 -63.8 -42.2 -82.5 -81.5 8.8 36 37 B G G 3 S+ 0 0 57 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.788 79.0 89.4 -56.0 -27.6 -84.7 -83.5 6.5 37 38 B N G < S+ 0 0 77 -3,-0.6 2,-0.5 2,-0.1 -1,-0.3 0.601 82.5 67.4 -47.3 -11.4 -87.5 -81.0 7.1 38 39 B L < + 0 0 41 -3,-1.7 5,-0.1 1,-0.1 -1,-0.1 -0.961 66.6 81.0-120.5 123.8 -86.0 -79.1 4.2 39 40 B Y S S+ 0 0 174 -2,-0.5 4,-0.1 5,-0.1 -1,-0.1 -0.015 82.4 46.5-173.8 -66.4 -86.0 -80.4 0.6 40 41 B Y S S+ 0 0 182 2,-0.1 3,-0.2 3,-0.1 -2,-0.1 0.978 134.0 5.1 -61.9 -60.5 -89.2 -79.9 -1.4 41 42 B H S S+ 0 0 102 1,-0.2 2,-1.4 2,-0.1 -3,-0.1 0.927 136.0 41.9 -90.4 -63.1 -89.9 -76.3 -0.6 42 43 B F + 0 0 8 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.616 69.5 154.6 -90.1 78.8 -87.0 -75.0 1.5 43 44 B K + 0 0 117 -2,-1.4 -1,-0.2 -3,-0.2 2,-0.1 0.963 61.2 17.4 -63.2 -88.6 -84.1 -76.6 -0.4 44 45 B T S >> S- 0 0 62 -5,-0.1 4,-1.7 1,-0.1 3,-0.7 -0.378 77.7-114.8 -85.4 161.9 -81.1 -74.4 0.4 45 46 B K H 3> S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.891 117.9 55.4 -61.6 -42.2 -80.6 -71.8 3.1 46 47 B E H 3> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.681 106.0 53.6 -65.7 -17.1 -80.4 -69.0 0.6 47 48 B N H <> S+ 0 0 28 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.879 106.5 50.0 -82.4 -42.1 -83.8 -70.2 -0.7 48 49 B L H X S+ 0 0 7 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.818 115.1 46.2 -63.3 -32.1 -85.3 -70.0 2.8 49 50 B F H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.955 108.2 51.5 -76.7 -52.6 -83.9 -66.5 3.1 50 51 B L H X S+ 0 0 13 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.684 110.8 56.0 -58.2 -15.7 -85.0 -65.3 -0.4 51 52 B E H >X S+ 0 0 59 -4,-0.9 4,-2.1 2,-0.2 3,-0.9 0.967 103.2 48.6 -77.8 -63.5 -88.4 -66.6 0.8 52 53 B I H 3X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.3 5,-0.2 0.815 109.8 55.7 -45.8 -37.3 -88.6 -64.6 4.0 53 54 B L H 3X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.898 105.9 49.6 -66.0 -41.4 -87.7 -61.5 2.0 54 55 B N H X S+ 0 0 52 -4,-2.1 4,-2.8 1,-0.2 3,-0.9 0.972 114.1 45.1 -49.9 -67.2 -93.1 -62.5 2.4 56 57 B E H 3X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.803 110.1 55.8 -47.9 -38.5 -91.9 -59.4 4.3 57 58 B Q H 3X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.3 0.899 111.9 43.3 -64.2 -40.3 -91.9 -57.4 1.0 58 59 B S H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 3,-1.1 0.891 106.7 45.5 -62.0 -43.3 -98.5 -49.4 2.8 65 66 B K H 3< S+ 0 0 116 -4,-1.0 4,-0.4 -3,-0.3 -1,-0.2 0.865 108.3 56.8 -70.7 -34.7 -101.7 -49.6 0.6 66 67 B K T 3< S+ 0 0 148 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.257 121.1 31.7 -77.9 14.2 -103.9 -50.0 3.8 67 68 B E T X4 S+ 0 0 65 -3,-1.1 3,-1.7 -5,-0.2 -2,-0.2 0.529 91.7 81.7-143.9 -19.9 -102.3 -46.7 4.9 68 69 B Q G >< S+ 0 0 45 -4,-2.1 3,-2.3 1,-0.3 -3,-0.1 0.684 76.3 83.5 -66.4 -14.3 -101.4 -44.4 1.9 69 70 B I G 3 S+ 0 0 114 -4,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.747 75.7 69.8 -60.4 -21.7 -105.1 -43.4 2.0 70 71 B K G < S+ 0 0 152 -3,-1.7 2,-0.5 1,-0.1 -1,-0.3 0.414 91.2 74.4 -76.5 4.8 -104.2 -40.9 4.7 71 72 B A < - 0 0 5 -3,-2.3 -1,-0.1 1,-0.2 6,-0.1 -0.954 56.9-178.8-125.2 113.5 -102.3 -39.1 1.9 72 73 B K S S+ 0 0 153 -2,-0.5 2,-0.2 4,-0.0 -1,-0.2 0.967 70.3 45.3 -73.1 -58.6 -104.3 -37.1 -0.6 73 74 B T S > S- 0 0 48 1,-0.1 4,-1.8 65,-0.0 5,-0.1 -0.508 80.9-126.6 -86.2 158.5 -101.6 -35.8 -2.8 74 75 B N H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.807 112.4 64.9 -71.9 -29.1 -98.7 -37.9 -4.1 75 76 B R H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 108.3 41.7 -57.0 -40.5 -96.4 -35.2 -2.7 76 77 B E H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.858 108.8 58.4 -73.7 -37.5 -97.8 -36.4 0.6 77 78 B K H X S+ 0 0 37 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.892 104.8 52.5 -60.0 -37.8 -97.7 -40.0 -0.4 78 79 B F H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.976 111.6 44.4 -60.4 -57.5 -93.9 -39.6 -0.9 79 80 B Y H X S+ 0 0 44 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.902 115.1 49.5 -50.5 -50.9 -93.3 -38.1 2.6 80 81 B L H X S+ 0 0 32 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.941 106.2 53.1 -56.9 -56.7 -95.6 -40.7 4.3 81 82 B Y H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.923 110.6 49.4 -46.4 -52.6 -94.0 -43.8 2.7 82 83 B N H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.900 112.8 46.1 -55.8 -47.3 -90.6 -42.6 3.8 83 84 B E H >X S+ 0 0 54 -4,-2.1 3,-1.6 1,-0.2 4,-1.0 0.962 111.8 50.4 -61.8 -52.0 -91.8 -42.0 7.4 84 85 B L H >X S+ 0 0 30 -4,-3.2 4,-2.7 1,-0.3 3,-0.7 0.865 101.2 65.6 -53.5 -35.4 -93.6 -45.3 7.6 85 86 B S H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.830 100.7 50.4 -55.0 -35.5 -90.4 -46.9 6.3 86 87 B L H << S+ 0 0 11 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.780 117.8 37.0 -75.6 -26.7 -88.8 -45.8 9.6 87 88 B T H << S+ 0 0 83 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.1 0.752 89.1 104.6-100.5 -25.1 -91.5 -47.3 11.8 88 89 B T < - 0 0 19 -4,-2.7 -28,-0.0 1,-0.1 3,-0.0 0.308 57.8-147.6 -44.5 179.0 -92.6 -50.6 10.1 89 90 B E S S+ 0 0 101 -33,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.120 71.0 98.6-135.1 9.4 -91.6 -54.0 11.3 90 91 B Y S S- 0 0 51 -31,-0.1 2,-3.6 -30,-0.1 -2,-0.1 -0.861 96.0 -33.8-113.4 139.1 -91.6 -55.3 7.8 91 92 B Y S > S+ 0 0 14 -2,-0.4 3,-1.6 1,-0.2 4,-0.1 -0.195 119.7 74.7 57.0 -52.8 -88.8 -55.9 5.3 92 93 B Y G > S+ 0 0 15 -2,-3.6 3,-1.4 1,-0.3 4,-0.3 0.762 83.1 67.2 -59.6 -29.0 -86.7 -52.9 6.5 93 94 B P G 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.381 99.5 54.4 -74.4 8.2 -85.5 -54.7 9.7 94 95 B L G <> + 0 0 1 -3,-1.6 4,-2.9 2,-0.1 5,-0.2 0.344 70.0 105.9-119.8 1.9 -83.6 -57.1 7.5 95 96 B Q H <> S+ 0 0 3 -3,-1.4 4,-2.9 1,-0.2 5,-0.2 0.902 80.8 53.7 -50.6 -44.6 -81.5 -54.8 5.4 96 97 B N H > S+ 0 0 18 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.941 110.3 45.7 -56.8 -49.2 -78.4 -55.7 7.4 97 98 B A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.924 112.2 53.0 -60.2 -43.0 -79.0 -59.4 6.6 98 99 B I H X S+ 0 0 12 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.930 103.2 56.6 -57.8 -46.8 -79.6 -58.5 3.0 99 100 B I H < S+ 0 0 17 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.848 110.4 45.0 -53.9 -39.5 -76.3 -56.6 2.7 100 101 B E H >< S+ 0 0 5 -4,-1.5 3,-4.9 -3,-0.3 4,-0.5 0.988 107.4 55.9 -67.2 -60.9 -74.4 -59.7 3.8 101 102 B F H 3< S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.715 106.3 54.5 -44.1 -23.0 -76.3 -62.1 1.6 102 103 B Y T 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.516 105.4 51.4 -91.2 -5.7 -75.2 -59.8 -1.3 103 104 B T S < S+ 0 0 28 -3,-4.9 -2,-0.2 -5,-0.2 -1,-0.2 0.217 117.8 38.2-110.3 9.6 -71.6 -60.0 -0.4 104 105 B E S S+ 0 0 62 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.121 125.0 35.3-143.2 16.6 -71.7 -63.8 -0.3 105 106 B Y S S+ 0 0 60 -5,-0.2 7,-0.2 2,-0.1 6,-0.2 0.004 83.6 97.4-162.4 31.9 -74.0 -64.5 -3.3 106 107 B Y S S+ 0 0 95 5,-0.1 -3,-0.1 4,-0.1 6,-0.1 0.673 88.2 48.6 -96.1 -25.1 -73.2 -61.7 -5.8 107 108 B K S S+ 0 0 145 1,-0.1 2,-1.0 2,-0.0 5,-0.1 0.976 92.1 77.3 -75.7 -63.3 -70.9 -64.1 -7.7 108 109 B T S >> S- 0 0 70 1,-0.2 3,-2.2 2,-0.1 4,-0.6 -0.277 70.9-160.2 -52.3 91.6 -73.3 -67.0 -8.0 109 110 B N H 3> S+ 0 0 111 -2,-1.0 4,-0.7 1,-0.3 5,-0.2 0.493 77.1 90.3 -57.1 -1.5 -75.4 -65.5 -10.8 110 111 B S H 34 S+ 0 0 87 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.715 95.9 36.0 -67.9 -19.4 -78.1 -68.1 -9.7 111 112 B I H <> S+ 0 0 3 -3,-2.2 4,-1.8 -6,-0.2 -2,-0.2 0.838 101.1 68.9 -98.6 -47.8 -79.3 -65.3 -7.3 112 113 B N H < S+ 0 0 53 -4,-0.6 -2,-0.1 1,-0.3 -3,-0.1 0.683 117.6 31.0 -48.1 -18.7 -78.8 -62.1 -9.3 113 114 B E T >< S+ 0 0 127 -4,-0.7 3,-1.2 3,-0.1 4,-0.3 0.705 113.9 62.7-108.1 -36.7 -81.6 -63.5 -11.5 114 115 B K G >4 S+ 0 0 95 -4,-0.5 2,-0.7 1,-0.3 3,-0.6 0.973 115.4 28.5 -53.7 -65.9 -83.5 -65.4 -8.8 115 116 B M G 3< S+ 0 0 11 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 -0.315 85.7 114.5 -95.2 50.9 -84.4 -62.4 -6.6 116 117 B N G < S+ 0 0 69 -3,-1.2 3,-0.5 -2,-0.7 4,-0.4 0.768 73.4 57.1 -86.4 -30.1 -84.5 -59.9 -9.5 117 118 B K S <> S+ 0 0 166 -3,-0.6 4,-1.5 -4,-0.3 3,-0.5 0.705 96.1 66.9 -72.9 -20.0 -88.2 -59.4 -9.0 118 119 B L H > S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.855 94.3 56.1 -69.7 -33.9 -87.5 -58.4 -5.5 119 120 B E H > S+ 0 0 29 -3,-0.5 4,-0.7 -4,-0.4 -1,-0.2 0.691 107.3 50.5 -71.0 -19.1 -85.7 -55.3 -6.6 120 121 B N H > S+ 0 0 85 -3,-0.5 4,-1.6 -4,-0.4 -1,-0.2 0.836 105.1 52.0 -87.5 -37.1 -88.8 -54.1 -8.5 121 122 B K H X S+ 0 0 60 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.786 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161 B T H >< S+ 0 0 4 -4,-3.0 3,-0.9 -5,-0.2 -2,-0.2 0.914 116.4 44.7 -70.2 -44.0 -80.7 -48.4 7.9 161 162 B F T 3< S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.045 107.9 56.0 -93.6 28.1 -77.8 -46.2 9.1 162 163 B T T X + 0 0 1 -3,-0.8 2,-2.3 -4,-0.1 3,-1.7 0.154 67.8 129.6-132.1 9.6 -79.6 -44.2 11.8 163 164 B H T < S+ 0 0 93 -3,-0.9 3,-0.1 1,-0.2 -4,-0.1 -0.430 70.8 43.0 -71.9 75.5 -80.8 -47.3 13.7 164 165 B E T 3 S+ 0 0 93 -2,-2.3 -1,-0.2 1,-0.4 2,-0.2 0.115 91.8 91.3 176.1 -27.3 -79.7 -46.2 17.1 165 166 B Q S < S- 0 0 29 -3,-1.7 -1,-0.4 1,-0.2 5,-0.2 -0.522 93.5 -64.0 -90.2 156.6 -80.6 -42.5 17.4 166 167 B N >> - 0 0 98 -2,-0.2 4,-2.5 1,-0.2 3,-0.6 -0.020 43.2-131.0 -37.2 124.8 -83.9 -41.1 18.8 167 168 B I H 3> S+ 0 0 69 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.778 108.4 52.7 -53.4 -29.6 -86.8 -42.2 16.6 168 169 B N H 3> S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.863 105.7 51.1 -76.8 -36.7 -88.0 -38.6 16.5 169 170 B E H <> S+ 0 0 63 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.947 111.7 51.7 -62.4 -43.5 -84.6 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122.5 -39.4 -37.1 38.9 210 24 D T > - 0 0 73 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.752 33.6-122.1-108.1 152.7 -41.9 -34.3 38.9 211 25 D T H > S+ 0 0 21 -2,-0.3 4,-3.7 1,-0.2 5,-0.3 0.918 115.0 62.0 -54.4 -40.4 -41.5 -30.5 38.9 212 26 D G H > S+ 0 0 14 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.933 107.4 38.8 -49.6 -55.7 -43.6 -30.7 42.0 213 27 D E H > S+ 0 0 54 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.797 117.2 54.7 -66.0 -28.0 -41.0 -32.8 43.9 214 28 D I H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.938 110.2 43.7 -68.2 -51.1 -38.3 -30.7 42.2 215 29 D V H X>S+ 0 0 14 -4,-3.7 5,-2.2 1,-0.2 4,-0.8 0.933 113.2 47.6 -62.0 -54.4 -39.7 -27.3 43.4 216 30 D K H <5S+ 0 0 161 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.719 113.1 50.0 -65.9 -18.9 -40.5 -28.2 47.0 217 31 D L H <5S+ 0 0 98 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.762 114.9 42.8 -89.2 -24.6 -37.0 -29.8 47.4 218 32 D S H <5S- 0 0 1 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.434 111.9-121.9 -96.3 -2.9 -35.3 -26.7 46.0 219 33 D E T <5S+ 0 0 152 -4,-0.8 -3,-0.2 1,-0.2 2,-0.1 0.765 71.8 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79.4-147.8-115.5 -19.3 -37.1 -23.0 32.2 230 44 D K S <> S- 0 0 53 -2,-1.6 4,-2.4 -6,-0.1 3,-0.7 -0.977 74.5-119.8-136.5 149.1 -41.2 -26.8 30.9 232 46 D K H 3> S+ 0 0 36 -2,-0.3 4,-2.6 1,-0.3 5,-0.3 0.906 116.4 57.3 -51.4 -44.0 -39.8 -29.8 32.6 233 47 D E H 3> S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.907 109.3 45.8 -54.7 -40.0 -38.7 -31.2 29.3 234 48 D N H <> S+ 0 0 24 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.883 108.6 55.7 -71.3 -37.9 -36.8 -28.0 28.7 235 49 D L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.936 111.2 43.8 -57.3 -49.8 -35.3 -28.1 32.2 236 50 D F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.816 108.9 57.8 -66.0 -33.2 -33.8 -31.6 31.6 237 51 D L H X S+ 0 0 3 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.782 109.4 46.0 -68.0 -28.1 -32.7 -30.5 28.1 238 52 D E H X S+ 0 0 54 -4,-1.4 4,-1.8 -3,-0.4 -2,-0.2 0.919 108.9 53.3 -78.9 -46.8 -30.6 -27.8 29.8 239 53 D I H >X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.3 3,-0.7 0.947 109.7 51.8 -50.0 -49.8 -29.3 -30.2 32.5 240 54 D L H 3X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.3 -1,-0.3 0.855 106.9 50.3 -56.9 -40.4 -28.2 -32.3 29.5 241 55 D N H 3X S+ 0 0 68 -4,-1.2 4,-1.1 -3,-0.2 -1,-0.3 0.751 112.3 49.0 -72.2 -21.6 -26.4 -29.5 27.8 242 56 D I H X S+ 0 0 128 -4,-1.4 4,-2.4 2,-0.2 3,-0.8 0.815 104.4 59.8-100.1 -41.4 -14.2 -30.1 28.7 250 64 D Q H 3< S+ 0 0 36 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.738 109.3 50.4 -59.0 -20.4 -13.0 -32.4 31.5 251 65 D W T 3X S+ 0 0 6 -4,-1.0 4,-1.1 2,-0.2 3,-0.4 0.711 104.1 56.3 -88.6 -25.1 -11.8 -34.5 28.6 252 66 D K T <4 S+ 0 0 105 -3,-0.8 3,-0.5 1,-0.2 4,-0.4 0.950 111.6 43.2 -69.2 -46.7 -10.0 -31.6 26.9 253 67 D K T < S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.376 121.4 41.4 -79.2 3.6 -8.0 -31.0 30.1 254 68 D E T 4 S+ 0 0 68 -3,-0.4 3,-0.4 -5,-0.2 -1,-0.2 0.466 91.4 77.4-130.0 -3.3 -7.3 -34.7 30.6 255 69 D Q S >< S+ 0 0 40 -4,-1.1 3,-0.8 -3,-0.5 -2,-0.1 0.627 79.1 77.7 -82.6 -13.2 -6.6 -36.1 27.2 256 70 D I T 3 S+ 0 0 128 -4,-0.4 2,-0.8 1,-0.3 -1,-0.2 0.896 76.1 72.6 -61.1 -42.6 -3.1 -34.7 27.3 257 71 D K T 3 S+ 0 0 178 -3,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.209 93.7 66.8 -61.8 21.3 -1.9 -37.4 29.6 258 72 D A < - 0 0 5 -3,-0.8 -1,-0.1 -2,-0.8 6,-0.1 -0.897 59.3-177.1-148.4 111.8 -2.1 -39.7 26.5 259 73 D K + 0 0 165 -2,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.983 68.3 51.6 -73.5 -64.4 0.2 -39.2 23.5 260 74 D T S > S- 0 0 49 1,-0.1 4,-1.2 65,-0.0 3,-0.2 -0.277 83.9-124.0 -70.9 161.3 -0.9 -41.9 21.0 261 75 D N H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.815 111.1 66.0 -78.2 -26.9 -4.5 -42.1 20.1 262 76 D R H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.831 104.7 47.4 -59.5 -28.8 -4.6 -45.7 21.1 263 77 D E H > S+ 0 0 57 -3,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.873 107.4 53.9 -78.7 -39.0 -4.0 -44.3 24.6 264 78 D K H X S+ 0 0 27 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.856 107.5 52.6 -63.6 -34.9 -6.7 -41.7 24.3 265 79 D F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 3,-0.4 1.000 112.6 42.7 -60.9 -67.6 -9.1 -44.4 23.4 266 80 D Y H X S+ 0 0 36 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.883 117.4 48.8 -40.4 -53.4 -8.3 -46.5 26.4 267 81 D L H X S+ 0 0 38 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.872 107.7 52.4 -60.3 -44.4 -8.3 -43.4 28.6 268 82 D Y H X S+ 0 0 1 -4,-2.9 4,-2.6 -3,-0.4 -1,-0.2 0.972 110.3 48.0 -56.7 -55.2 -11.6 -42.0 27.4 269 83 D N H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.814 113.9 47.9 -55.1 -36.2 -13.4 -45.3 28.1 270 84 D E H >X S+ 0 0 53 -4,-1.6 3,-1.0 -5,-0.3 4,-0.8 0.958 110.3 50.2 -70.3 -52.1 -11.8 -45.4 31.6 271 85 D L H >X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.3 3,-1.0 0.855 101.5 65.0 -54.8 -37.1 -12.7 -41.8 32.4 272 86 D S H 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.880 100.1 51.5 -52.5 -43.2 -16.3 -42.5 31.3 273 87 D L H << S+ 0 0 10 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.721 119.1 34.2 -66.7 -26.3 -16.6 -45.0 34.2 274 88 D T H << S+ 0 0 75 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.548 89.3 108.1-110.8 -10.7 -15.4 -42.5 36.8 275 89 D T < - 0 0 13 -4,-2.1 -28,-0.1 -5,-0.2 -3,-0.0 -0.340 58.9-147.1 -68.8 150.5 -16.6 -39.1 35.6 276 90 D E S S+ 0 0 102 3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.514 72.3 94.9 -93.2 -4.8 -19.4 -37.5 37.5 277 91 D Y S S- 0 0 43 -31,-0.1 2,-2.0 2,-0.1 -2,-0.1 -0.707 96.1 -34.2 -99.1 139.2 -20.7 -36.0 34.3 278 92 D Y S > S+ 0 0 20 -2,-0.3 3,-4.2 1,-0.2 4,-0.3 -0.350 113.6 78.2 64.9 -75.0 -23.4 -37.1 31.9 279 93 D Y G > S+ 0 0 11 -2,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.706 87.4 64.6 -39.5 -27.3 -23.0 -40.9 32.0 280 94 D P G 3 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.599 98.0 55.6 -76.1 -8.2 -24.9 -40.9 35.3 281 95 D L G X> S+ 0 0 1 -3,-4.2 4,-3.2 1,-0.1 3,-1.4 0.393 71.7 105.2-102.7 3.0 -28.0 -39.6 33.5 282 96 D Q H <> S+ 0 0 4 -3,-1.0 4,-3.1 -4,-0.3 5,-0.2 0.872 76.8 58.0 -50.0 -42.5 -28.3 -42.4 30.9 283 97 D N H 3> S+ 0 0 26 -4,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.825 114.3 37.5 -59.9 -32.1 -31.2 -43.9 32.7 284 98 D A H <> S+ 0 0 1 -3,-1.4 4,-3.0 2,-0.2 5,-0.3 0.859 112.8 56.0 -87.2 -40.3 -33.1 -40.6 32.3 285 99 D I H X S+ 0 0 21 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.916 108.7 51.4 -55.9 -42.1 -31.8 -39.9 28.8 286 100 D I H >X S+ 0 0 28 -4,-3.1 4,-1.6 -5,-0.3 3,-0.6 0.984 113.5 41.4 -56.8 -61.7 -33.2 -43.3 27.8 287 101 D E H 3< S+ 0 0 3 -4,-1.3 4,-0.5 1,-0.2 3,-0.4 0.923 114.4 52.4 -51.3 -52.4 -36.7 -42.7 29.3 288 102 D F H 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.779 107.4 52.3 -58.6 -30.7 -36.8 -39.1 28.0 289 103 D Y H XX S+ 0 0 33 -4,-1.7 4,-1.5 -3,-0.6 3,-1.2 0.846 103.9 53.7 -78.9 -32.8 -35.9 -40.1 24.4 290 104 D T T 3< S+ 0 0 56 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.546 110.3 52.7 -76.8 -3.5 -38.6 -42.8 24.1 291 105 D E T 34 S+ 0 0 83 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.315 122.9 21.3-111.9 6.1 -41.1 -40.1 25.1 292 106 D Y T <4 S+ 0 0 49 -3,-1.2 7,-0.5 2,-0.1 -2,-0.2 0.356 85.8 97.9-153.2 2.5 -40.1 -37.4 22.6 293 107 D Y S < S+ 0 0 96 -4,-1.5 -3,-0.1 1,-0.2 -4,-0.1 0.823 87.3 62.0 -65.2 -25.8 -38.3 -39.0 19.6 294 108 D K S S+ 0 0 148 -5,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.974 91.5 68.7 -61.4 -59.0 -41.8 -38.7 18.1 295 109 D T S > S- 0 0 57 1,-0.1 4,-1.0 -4,-0.1 5,-0.0 -0.401 74.8-150.3 -63.3 137.7 -42.0 -34.9 18.3 296 110 D N H > S+ 0 0 111 2,-0.1 4,-1.7 3,-0.1 -1,-0.1 0.773 85.4 63.8 -83.5 -26.9 -39.5 -33.3 15.8 297 111 D S H > S+ 0 0 78 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.990 111.9 31.8 -58.5 -67.1 -38.8 -30.1 17.8 298 112 D I H > S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.895 114.5 62.4 -57.9 -45.0 -37.2 -31.7 20.9 299 113 D N H X S+ 0 0 28 -4,-1.0 4,-2.1 -7,-0.5 -1,-0.2 0.853 96.6 59.1 -52.3 -39.7 -35.7 -34.5 18.8 300 114 D E H X S+ 0 0 121 -4,-1.7 4,-1.9 -3,-0.5 -1,-0.2 0.944 105.6 47.8 -55.4 -50.8 -33.7 -32.1 16.8 301 115 D K H X S+ 0 0 88 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.2 0.827 109.2 55.4 -59.1 -35.6 -31.9 -30.8 19.9 302 116 D M H X S+ 0 0 17 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.909 105.4 49.4 -67.5 -42.6 -31.2 -34.4 21.0 303 117 D N H X S+ 0 0 60 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.917 108.0 56.2 -62.1 -41.5 -29.5 -35.4 17.8 304 118 D K H >X S+ 0 0 131 -4,-1.9 3,-1.4 1,-0.2 4,-0.9 0.967 111.1 42.8 -51.9 -57.1 -27.3 -32.3 18.1 305 119 D L H >X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.3 3,-0.6 0.848 108.8 59.5 -57.9 -37.7 -26.2 -33.4 21.6 306 120 D E H 3X S+ 0 0 40 -4,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.692 100.4 56.8 -67.3 -18.1 -25.8 -37.0 20.3 307 121 D N H X S+ 0 0 13 -4,-1.1 4,-1.9 -5,-0.1 3,-1.1 0.850 99.7 78.1 -84.1 -38.5 -20.0 -39.4 19.4 311 125 D D H 3X S+ 0 0 75 -4,-2.2 4,-3.7 1,-0.3 5,-0.2 0.817 84.8 62.3 -37.0 -53.4 -17.5 -36.8 18.1 312 126 D A H 3X S+ 0 0 3 -4,-1.0 4,-2.4 1,-0.3 -1,-0.3 0.895 108.9 41.4 -43.0 -53.1 -14.8 -37.7 20.8 313 127 D Y H <> S+ 0 0 0 -3,-1.1 4,-2.8 -4,-0.3 5,-0.3 0.906 113.5 54.5 -65.0 -40.3 -14.6 -41.2 19.4 314 128 D H H X S+ 0 0 48 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.944 108.9 47.8 -57.4 -49.1 -14.7 -39.8 15.9 315 129 D V H X S+ 0 0 57 -4,-3.7 4,-2.3 2,-0.2 5,-0.5 0.962 111.8 50.0 -54.8 -56.4 -11.8 -37.5 16.6 316 130 D I H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.902 116.0 41.2 -48.8 -52.5 -9.7 -40.3 18.1 317 131 D F H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.866 114.1 53.8 -68.3 -36.0 -10.3 -42.6 15.2 318 132 D K H >X S+ 0 0 103 -4,-2.9 4,-1.9 -5,-0.3 3,-1.6 0.997 114.5 37.4 -59.7 -68.6 -9.9 -39.9 12.6 319 133 D E H 3< S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 6,-0.2 0.845 109.8 67.9 -50.9 -36.3 -6.5 -38.7 13.8 320 134 D G H ><>S+ 0 0 0 -4,-1.7 5,-2.7 -5,-0.5 3,-0.8 0.873 103.6 41.2 -53.2 -41.6 -5.8 -42.3 14.5 321 135 D N H X<5S+ 0 0 45 -3,-1.6 3,-1.9 -4,-1.5 -1,-0.2 0.905 108.0 60.7 -73.3 -41.4 -5.8 -43.0 10.7 322 136 D L T 3<5S+ 0 0 118 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.364 110.1 44.7 -67.0 8.0 -3.8 -39.8 10.1 323 137 D N T < 5S- 0 0 108 -3,-0.8 -1,-0.3 3,-0.2 -2,-0.1 -0.130 112.3-115.8-141.4 33.8 -1.1 -41.3 12.2 324 138 D G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 1,-0.2 3,-0.1 0.695 75.6 131.5 33.0 35.7 -1.1 -44.8 10.8 325 139 D E S + 0 0 87 1,-0.2 4,-1.4 2,-0.1 -1,-0.2 -0.818 66.5 172.4 -96.6 103.5 -16.1 -46.0 7.9 331 145 D V H > S+ 0 0 15 -2,-1.0 4,-4.4 -3,-0.3 5,-0.3 0.895 75.4 62.1 -72.8 -44.9 -15.1 -44.1 11.0 332 146 D N H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.850 105.6 48.6 -51.8 -36.9 -18.6 -42.8 11.6 333 147 D A H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.957 116.2 41.1 -68.6 -50.7 -19.7 -46.4 12.0 334 148 D V H X S+ 0 0 0 -4,-1.4 4,-3.8 1,-0.2 5,-0.2 0.930 111.5 56.1 -62.5 -46.5 -16.9 -47.3 14.4 335 149 D S H X S+ 0 0 0 -4,-4.4 4,-1.8 1,-0.2 -1,-0.2 0.844 114.7 40.9 -54.9 -34.2 -17.3 -44.0 16.3 336 150 D K H X S+ 0 0 41 -4,-1.3 4,-2.2 -5,-0.3 5,-0.3 0.903 115.0 48.3 -82.3 -42.5 -20.9 -44.9 16.9 337 151 D I H X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.927 114.5 50.3 -60.3 -43.8 -20.4 -48.6 17.6 338 152 D A H X S+ 0 0 0 -4,-3.8 4,-2.7 -5,-0.2 3,-0.3 0.981 110.4 46.0 -55.5 -65.5 -17.6 -47.6 20.0 339 153 D A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.813 116.7 44.2 -50.8 -40.4 -19.6 -45.0 21.9 340 154 D N H X S+ 0 0 4 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.826 111.7 52.7 -78.5 -30.1 -22.7 -47.2 22.4 341 155 D A H X S+ 0 0 0 -4,-2.1 4,-1.7 -3,-0.3 -2,-0.2 0.930 114.5 42.9 -68.6 -42.8 -20.7 -50.3 23.3 342 156 D V H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 3,-0.2 0.949 110.6 53.2 -68.2 -48.3 -18.8 -48.3 26.0 343 157 D N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.790 109.1 54.1 -56.2 -27.4 -21.9 -46.5 27.3 344 158 D G H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -1,-0.3 0.905 109.9 43.4 -73.4 -42.9 -23.3 -50.0 27.6 345 159 D I H < S+ 0 0 3 -4,-1.7 4,-0.4 -3,-0.2 -2,-0.2 0.903 115.9 51.3 -68.3 -41.2 -20.5 -51.3 29.7 346 160 D V H < S+ 0 0 8 -4,-3.3 3,-0.5 1,-0.2 -2,-0.2 0.934 118.5 32.5 -61.8 -50.3 -20.6 -48.1 31.7 347 161 D T H < S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.545 116.3 52.1 -92.0 -4.3 -24.3 -48.1 32.5 348 162 D F S < S+ 0 0 17 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.1 0.229 110.5 46.9-111.9 13.0 -25.1 -51.9 32.8 349 163 D T S > S+ 0 0 2 -3,-0.5 2,-2.6 -4,-0.4 3,-0.8 0.109 71.2 123.2-132.6 13.5 -22.3 -52.8 35.2 350 164 D H T 3 + 0 0 122 1,-0.2 3,-0.1 -3,-0.1 -4,-0.1 -0.483 58.4 78.8 -76.5 71.3 -23.0 -49.8 37.6 351 165 D E T 3 S+ 0 0 55 -2,-2.6 -1,-0.2 1,-0.4 2,-0.2 0.515 86.9 27.0-144.5 -48.4 -23.4 -52.3 40.4 352 166 D Q S < S- 0 0 69 -3,-0.8 -1,-0.4 1,-0.2 5,-0.1 -0.528 100.8 -15.9-118.4-174.8 -20.2 -53.7 41.9 353 167 D N > - 0 0 86 -2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.223 46.3-146.0 -23.9 116.6 -16.5 -52.8 42.4 354 168 D I H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.608 99.3 61.1 -69.0 -9.2 -15.3 -49.9 40.3 355 169 D N H > S+ 0 0 111 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.910 106.5 44.1 -80.7 -43.6 -11.9 -51.6 40.0 356 170 D E H > S+ 0 0 75 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.872 111.3 55.6 -65.0 -36.7 -13.5 -54.5 38.3 357 171 D R H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.959 110.3 44.8 -60.3 -48.2 -15.5 -52.1 36.2 358 172 D I H X S+ 0 0 44 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.829 112.6 52.4 -66.6 -30.3 -12.3 -50.5 35.1 359 173 D K H X S+ 0 0 147 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.969 110.2 46.0 -69.6 -51.1 -10.6 -53.8 34.5 360 174 D L H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.880 111.1 55.9 -56.4 -40.5 -13.4 -55.2 32.3 361 175 D M H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.952 106.3 47.9 -59.5 -50.7 -13.4 -51.9 30.4 362 176 D N H X S+ 0 0 41 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.816 107.5 55.1 -62.5 -31.5 -9.7 -52.0 29.5 363 177 D K H X S+ 0 0 48 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.940 111.5 47.6 -63.5 -45.5 -10.0 -55.6 28.3 364 178 D F H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.973 107.8 51.9 -56.0 -61.8 -12.7 -54.3 26.0 365 179 D S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.788 114.3 47.3 -47.2 -32.0 -10.7 -51.3 24.8 366 180 D Q H X S+ 0 0 81 -4,-1.5 4,-3.4 -5,-0.2 5,-0.2 0.988 111.3 46.6 -72.9 -65.6 -8.0 -53.8 24.0 367 181 D I H X S+ 0 0 2 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.904 116.3 49.1 -38.8 -57.2 -10.2 -56.4 22.2 368 182 D F H X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.960 112.7 42.2 -48.6 -74.3 -11.8 -53.5 20.3 369 183 D L H >< S+ 0 0 16 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.842 113.6 56.5 -44.7 -38.9 -8.6 -51.7 19.1 370 184 D N H >< S+ 0 0 102 -4,-3.4 3,-1.5 1,-0.2 -1,-0.2 0.989 106.8 46.7 -59.8 -57.8 -7.1 -55.1 18.3 371 185 D G H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.595 93.2 84.7 -59.5 -11.1 -9.9 -56.1 16.0 372 186 D L T << 0 0 15 -4,-1.1 -1,-0.2 -3,-0.7 -45,-0.2 0.723 360.0 360.0 -66.3 -25.3 -9.8 -52.7 14.3 373 187 D S < 0 0 102 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.070 360.0 360.0-149.8 360.0 -7.0 -53.7 11.9 374 !* 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 0.0 375 2 A N > 0 0 152 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.3 -44.2 -49.8 15.6 376 3 A L H > + 0 0 63 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.848 360.0 44.3 -66.7 -26.8 -44.9 -53.2 17.3 377 4 A K H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 114.3 47.7 -76.7 -45.0 -48.4 -51.6 17.6 378 5 A D H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.815 109.2 54.4 -65.5 -31.9 -48.3 -50.4 14.1 379 6 A K H X S+ 0 0 98 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.864 107.3 51.0 -70.6 -37.5 -47.1 -53.8 12.9 380 7 A I H X S+ 0 0 0 -4,-1.2 4,-3.1 2,-0.2 5,-0.2 0.927 109.9 48.2 -65.5 -47.3 -50.1 -55.4 14.6 381 8 A L H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.904 113.1 49.8 -59.9 -40.6 -52.6 -53.1 12.9 382 9 A G H X S+ 0 0 38 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.939 115.7 40.5 -64.6 -47.1 -51.0 -53.7 9.6 383 10 A V H X S+ 0 0 23 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.905 114.9 52.8 -67.5 -41.7 -51.0 -57.4 9.9 384 11 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.914 107.0 53.3 -61.1 -43.3 -54.5 -57.4 11.4 385 12 A K H X S+ 0 0 46 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.933 110.8 46.2 -59.6 -44.4 -55.7 -55.3 8.5 386 13 A E H X S+ 0 0 113 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.940 111.3 51.3 -63.5 -47.1 -54.4 -57.9 6.0 387 14 A L H X S+ 0 0 18 -4,-2.9 4,-3.2 1,-0.2 5,-0.4 0.927 111.4 48.0 -54.5 -47.8 -55.8 -60.8 7.9 388 15 A F H X S+ 0 0 1 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.942 110.7 51.0 -58.4 -50.9 -59.2 -59.2 8.0 389 16 A I H < S+ 0 0 48 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.851 117.2 41.3 -55.1 -37.1 -59.1 -58.4 4.3 390 17 A K H < S+ 0 0 164 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.903 135.5 12.1 -81.2 -42.9 -58.2 -62.0 3.6 391 18 A N H X S- 0 0 69 -4,-3.2 4,-0.6 -5,-0.2 -3,-0.2 0.347 101.6-120.7-119.4 6.3 -60.4 -63.9 5.9 392 19 A G H X - 0 0 11 -4,-3.3 4,-1.3 -5,-0.4 -1,-0.2 0.036 38.4 -67.1 76.7 170.8 -62.9 -61.3 7.2 393 20 A Y H 4 S+ 0 0 3 1,-0.2 3,-0.3 77,-0.2 -1,-0.1 0.952 126.5 46.3 -62.6 -56.6 -63.7 -60.2 10.8 394 21 A N H 4 S+ 0 0 75 1,-0.2 -1,-0.2 77,-0.1 -2,-0.1 0.862 113.3 48.9 -58.0 -39.9 -65.2 -63.3 12.3 395 22 A A H < S+ 0 0 57 -4,-0.6 -1,-0.2 -7,-0.1 -2,-0.2 0.799 91.4 89.4 -73.8 -30.7 -62.6 -65.7 11.0 396 23 A T < - 0 0 0 -4,-1.3 2,-0.3 -3,-0.3 23,-0.0 -0.472 63.2-159.6 -71.0 137.5 -59.5 -63.7 12.0 397 24 A T > - 0 0 65 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.850 28.2-127.0-117.0 155.3 -58.3 -64.5 15.5 398 25 A T H > S+ 0 0 57 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.709 111.7 64.0 -71.9 -16.5 -56.1 -62.5 17.8 399 26 A G H > S+ 0 0 42 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.958 103.0 44.4 -68.3 -51.2 -54.0 -65.6 18.0 400 27 A E H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.966 115.1 50.2 -54.4 -55.6 -53.1 -65.4 14.3 401 28 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 6,-0.3 0.925 109.6 49.8 -49.1 -55.9 -52.5 -61.7 14.7 402 29 A V H <>S+ 0 0 16 -4,-2.8 5,-2.6 1,-0.2 4,-0.3 0.938 115.7 42.4 -50.7 -54.2 -50.2 -62.1 17.7 403 30 A K H ><5S+ 0 0 161 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.931 114.9 47.9 -61.5 -50.0 -48.1 -64.7 16.0 404 31 A L H 3<5S+ 0 0 102 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.731 114.1 46.5 -65.4 -24.6 -47.9 -63.1 12.5 405 32 A S T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.391 110.3-124.8 -97.1 3.1 -46.9 -59.7 13.9 406 33 A E T < 5S+ 0 0 145 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.868 72.8 116.9 56.0 40.6 -44.4 -61.4 16.2 407 34 A S < - 0 0 9 -5,-2.6 2,-0.3 -6,-0.3 -1,-0.1 -0.132 60.6-104.0-112.8-151.5 -46.0 -59.8 19.2 408 35 A S > - 0 0 23 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.980 19.8-115.8-144.8 156.0 -47.8 -61.2 22.3 409 36 A K H > S+ 0 0 178 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.870 119.2 54.3 -56.2 -35.5 -51.3 -61.7 23.7 410 37 A G H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 109.3 44.0 -64.3 -48.2 -50.1 -59.4 26.5 411 38 A N H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.867 113.3 50.5 -66.3 -39.0 -49.0 -56.6 24.2 412 39 A L H X>S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 5,-0.8 0.879 111.8 49.8 -67.1 -35.9 -52.1 -56.9 22.0 413 40 A Y H X5S+ 0 0 22 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.946 109.1 50.8 -65.2 -49.0 -54.2 -56.7 25.1 414 41 A Y H <5S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.729 118.3 39.4 -59.9 -25.2 -52.4 -53.6 26.4 415 42 A H H <5S+ 0 0 59 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.785 139.3 1.4 -97.9 -30.7 -52.9 -51.9 23.1 416 43 A F H <5 - 0 0 7 -4,-2.4 2,-3.1 -5,-0.1 -3,-0.2 0.532 68.8-153.9-134.3 -15.9 -56.4 -52.8 22.1 417 44 A K S < S- 0 0 51 -2,-3.1 4,-2.8 1,-0.1 5,-0.1 -0.889 78.3-118.3-130.8 159.9 -60.3 -56.7 22.3 419 46 A K H > S+ 0 0 43 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.904 117.9 55.9 -59.5 -39.6 -60.5 -57.8 18.7 420 47 A E H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 109.2 44.4 -59.1 -42.4 -63.4 -55.3 18.3 421 48 A N H > S+ 0 0 48 2,-0.2 4,-1.4 -5,-0.2 -1,-0.2 0.909 111.4 53.8 -70.0 -40.4 -61.3 -52.5 19.6 422 49 A L H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.6 0.950 110.6 47.6 -54.7 -51.4 -58.5 -53.6 17.4 423 50 A F H 3X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.841 107.9 53.4 -60.0 -38.2 -60.8 -53.4 14.4 424 51 A L H 3X S+ 0 0 5 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.765 107.5 53.8 -69.7 -24.1 -62.2 -50.0 15.3 425 52 A E H X S+ 0 0 90 -4,-2.9 4,-1.6 1,-0.2 3,-0.8 0.927 110.3 49.5 -53.6 -51.6 -56.2 -37.2 3.7 437 64 A Q H 3X S+ 0 0 106 -4,-3.0 4,-3.3 1,-0.3 3,-0.5 0.943 107.5 55.5 -53.8 -49.0 -56.9 -38.4 0.1 438 65 A W H 3X S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.3 -1,-0.3 0.773 102.2 58.3 -53.2 -31.5 -60.0 -36.3 0.0 439 66 A K H << S+ 0 0 153 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.924 113.2 37.0 -65.9 -46.8 -57.8 -33.3 0.9 440 67 A K H >< S+ 0 0 147 -4,-1.6 3,-1.1 -3,-0.5 -2,-0.2 0.944 119.4 50.1 -70.4 -46.6 -55.6 -33.9 -2.2 441 68 A E H >< S+ 0 0 58 -4,-3.3 3,-1.6 1,-0.2 -2,-0.2 0.780 96.3 67.0 -64.7 -32.3 -58.6 -34.9 -4.4 442 69 A Q G >< S+ 0 0 51 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.479 81.0 79.4 -72.3 -0.4 -60.9 -32.0 -3.6 443 70 A I G < S+ 0 0 136 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.719 80.8 67.0 -76.5 -20.7 -58.6 -29.6 -5.4 444 71 A K G < S+ 0 0 151 -3,-1.6 2,-0.5 -4,-0.2 -1,-0.3 0.355 94.4 70.2 -78.7 6.7 -60.1 -30.9 -8.7 445 72 A A < - 0 0 4 -3,-1.0 -1,-0.2 1,-0.2 6,-0.1 -0.869 59.2-179.5-130.0 100.0 -63.3 -29.3 -7.5 446 73 A K + 0 0 183 -2,-0.5 -1,-0.2 4,-0.1 2,-0.2 0.969 69.0 43.3 -61.9 -58.3 -63.3 -25.5 -7.5 447 74 A T S > S- 0 0 41 1,-0.1 4,-2.0 65,-0.0 3,-0.1 -0.505 82.5-121.1 -90.6 160.5 -66.8 -24.8 -6.2 448 75 A N H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.794 113.2 61.5 -69.2 -29.5 -68.6 -26.6 -3.4 449 76 A R H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 109.3 45.4 -61.0 -38.9 -71.4 -27.7 -5.7 450 77 A E H > S+ 0 0 84 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.902 107.3 55.2 -69.6 -44.3 -68.6 -29.6 -7.5 451 78 A K H X S+ 0 0 29 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.904 107.4 51.9 -57.2 -39.9 -67.1 -30.9 -4.3 452 79 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.968 112.1 45.1 -59.6 -54.0 -70.5 -32.4 -3.4 453 80 A Y H X S+ 0 0 42 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.955 118.0 44.4 -51.7 -55.8 -70.7 -34.1 -6.8 454 81 A L H X S+ 0 0 28 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.918 109.9 53.5 -56.7 -52.2 -67.1 -35.3 -6.6 455 82 A Y H X S+ 0 0 8 -4,-3.4 4,-1.8 -5,-0.2 -1,-0.2 0.888 109.5 48.3 -54.3 -43.6 -67.2 -36.5 -3.1 456 83 A N H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.885 110.5 51.0 -66.6 -40.3 -70.3 -38.7 -3.7 457 84 A E H >X S+ 0 0 63 -4,-1.8 4,-2.8 -5,-0.2 3,-0.6 0.948 109.9 49.6 -62.1 -49.4 -68.8 -40.3 -6.8 458 85 A L H 3X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.3 5,-0.4 0.878 107.0 56.2 -55.8 -39.9 -65.6 -41.2 -5.0 459 86 A S H 3X S+ 0 0 11 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.3 0.855 112.7 42.7 -60.7 -35.5 -67.6 -42.7 -2.2 460 87 A L H X S+ 0 0 44 -4,-2.8 3,-1.3 1,-0.2 4,-0.9 0.963 114.9 51.5 -60.6 -55.7 -66.3 -46.0 -6.9 462 89 A T H 3< S+ 0 0 27 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.839 109.0 52.1 -52.8 -32.9 -63.7 -46.3 -4.1 463 90 A E H >< S+ 0 0 63 -4,-0.8 3,-1.2 -5,-0.4 -1,-0.3 0.776 95.2 71.4 -77.2 -18.3 -66.1 -48.6 -2.2 464 91 A Y H << S+ 0 0 117 -3,-1.3 -1,-0.2 -4,-1.1 -2,-0.2 0.878 113.6 25.4 -60.0 -40.2 -66.6 -50.9 -5.2 465 92 A Y T 3< S+ 0 0 164 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 -0.194 86.1 133.4-119.9 40.5 -63.1 -52.2 -4.8 466 93 A Y X - 0 0 67 -3,-1.2 3,-0.5 1,-0.1 4,-0.3 -0.834 43.2-154.6 -95.4 118.8 -62.4 -51.7 -1.1 467 94 A P T > S+ 0 0 70 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.843 91.5 51.2 -60.4 -39.5 -60.8 -54.8 0.5 468 95 A L T >> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.1 3,-1.4 0.755 81.3 95.4 -73.1 -22.6 -62.0 -54.1 4.0 469 96 A Q H <> S+ 0 0 37 -3,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.802 86.5 47.3 -37.1 -44.6 -65.6 -53.6 3.0 470 97 A N H <> S+ 0 0 69 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.3 0.861 111.2 48.5 -72.6 -33.2 -66.5 -57.2 3.8 471 98 A A H <> S+ 0 0 1 -3,-1.4 4,-2.6 -4,-0.4 -2,-0.2 0.909 111.2 53.2 -69.7 -40.9 -64.8 -57.2 7.2 472 99 A I H X S+ 0 0 32 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.969 108.5 48.7 -55.8 -57.1 -66.6 -54.0 7.9 473 100 A I H X S+ 0 0 16 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.889 110.7 49.9 -51.9 -46.8 -70.0 -55.5 7.0 474 101 A E H < S+ 0 0 30 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.983 117.0 42.9 -54.0 -56.3 -69.4 -58.6 9.2 475 102 A F H >X S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-1.2 0.941 115.4 46.0 -52.4 -61.0 -68.4 -56.3 12.1 476 103 A Y H >< S+ 0 0 41 -4,-3.4 3,-0.6 1,-0.3 -1,-0.2 0.895 114.5 48.1 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4,-2.3 -5,-0.2 -1,-0.2 0.935 112.9 49.3 -62.0 -42.4 -33.6 -68.6 26.3 623 63 E E H X S+ 0 0 81 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.881 112.1 47.4 -62.7 -41.4 -36.3 -70.6 24.5 624 64 E Q H < S+ 0 0 46 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.965 113.8 46.5 -65.1 -52.6 -36.0 -68.4 21.4 625 65 E W H >X S+ 0 0 19 -4,-3.0 4,-1.8 1,-0.2 3,-1.2 0.844 106.3 62.0 -58.7 -34.8 -32.2 -68.5 21.3 626 66 E K H 3< S+ 0 0 120 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.899 110.7 36.7 -58.4 -44.1 -32.4 -72.3 21.8 627 67 E K T 3< S+ 0 0 140 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.158 119.0 49.8 -97.2 20.4 -34.3 -72.9 18.6 628 68 E E T X4 S+ 0 0 41 -3,-1.2 3,-1.0 -4,-0.1 -2,-0.2 0.542 90.5 71.9-127.5 -21.9 -32.5 -70.3 16.6 629 69 E Q G >< S+ 0 0 58 -4,-1.8 3,-2.2 1,-0.2 -2,-0.1 0.775 84.5 74.2 -68.2 -23.7 -28.8 -71.1 17.3 630 70 E I G 3 S+ 0 0 133 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.837 83.5 66.8 -55.8 -34.8 -29.3 -74.1 15.1 631 71 E K G < S+ 0 0 147 -3,-1.0 2,-0.5 7,-0.0 -1,-0.3 0.627 92.1 76.5 -63.6 -12.4 -29.2 -71.8 12.1 632 72 E A < - 0 0 8 -3,-2.2 6,-0.1 1,-0.2 -1,-0.0 -0.902 60.0-170.0-109.6 125.0 -25.6 -71.1 12.9 633 73 E K S S+ 0 0 182 -2,-0.5 -1,-0.2 2,-0.0 2,-0.1 0.997 71.3 33.5 -69.5 -72.8 -22.9 -73.6 12.1 634 74 E T S > S- 0 0 38 1,-0.1 4,-1.7 65,-0.0 5,-0.1 -0.260 78.5-121.5 -82.8 169.6 -19.9 -72.2 13.9 635 75 E N H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.739 113.3 66.9 -81.4 -25.6 -19.7 -70.3 17.2 636 76 E R H > S+ 0 0 106 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.853 109.6 38.6 -61.2 -31.9 -18.1 -67.5 15.3 637 77 E E H > S+ 0 0 80 2,-0.2 4,-3.2 1,-0.1 -2,-0.2 0.855 107.0 60.9 -86.6 -39.6 -21.5 -67.2 13.6 638 78 E K H X S+ 0 0 37 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.878 104.6 53.3 -54.6 -36.4 -23.7 -67.9 16.7 639 79 E F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.951 109.4 47.0 -62.3 -49.7 -22.0 -64.8 18.1 640 80 E Y H X S+ 0 0 40 -4,-0.9 4,-1.8 -5,-0.2 -2,-0.2 0.943 116.1 45.8 -55.1 -52.0 -23.1 -62.8 15.0 641 81 E L H >X S+ 0 0 34 -4,-3.2 4,-2.8 1,-0.2 3,-0.9 0.987 110.1 50.0 -56.2 -71.2 -26.6 -64.2 15.2 642 82 E Y H 3X S+ 0 0 2 -4,-2.5 4,-1.0 1,-0.3 -1,-0.2 0.814 110.8 51.6 -37.5 -45.4 -27.3 -63.8 18.9 643 83 E N H 3X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.3 3,-0.5 0.932 113.2 43.3 -62.4 -45.3 -26.1 -60.2 18.8 644 84 E E H XX S+ 0 0 53 -4,-1.8 3,-1.2 -3,-0.9 4,-1.1 0.890 108.3 59.2 -66.8 -39.7 -28.4 -59.4 15.8 645 85 E L H 3X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.754 97.4 62.9 -60.2 -24.6 -31.3 -61.3 17.5 646 86 E S H 3< S+ 0 0 2 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.820 98.7 54.1 -70.9 -31.2 -30.9 -58.9 20.4 647 87 E L H << S+ 0 0 10 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.813 120.4 30.5 -70.6 -31.9 -31.9 -56.0 18.1 648 88 E T H < S+ 0 0 71 -4,-1.1 -2,-0.2 84,-0.0 -1,-0.1 0.758 91.4 102.5-102.4 -28.9 -35.1 -57.7 17.0 649 89 E T < - 0 0 12 -4,-2.7 -28,-0.0 -5,-0.2 0, 0.0 -0.150 59.0-146.4 -57.5 152.1 -36.3 -59.9 19.9 650 90 E E + 0 0 33 3,-0.1 2,-0.4 -243,-0.1 -1,-0.1 0.153 69.1 100.4-104.5 16.5 -39.2 -58.6 22.0 651 91 E Y S S- 0 0 38 -31,-0.1 2,-3.2 3,-0.0 -2,-0.1 -0.851 95.3 -34.9-112.4 142.5 -37.7 -60.3 25.1 652 92 E Y S > S+ 0 0 10 -2,-0.4 3,-3.1 1,-0.2 4,-0.2 -0.217 118.9 76.9 53.7 -67.0 -35.7 -58.9 28.0 653 93 E Y G > S+ 0 0 10 -2,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.748 87.7 57.6 -44.2 -33.2 -33.8 -56.4 26.0 654 94 E P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.703 104.9 54.0 -75.0 -12.3 -36.7 -53.9 25.8 655 95 E L G <> S+ 0 0 1 -3,-3.1 4,-2.5 1,-0.2 5,-0.2 0.213 71.9 113.9-100.1 9.5 -36.8 -53.8 29.6 656 96 E Q H <> S+ 0 0 4 -3,-1.2 4,-3.0 -4,-0.2 5,-0.2 0.934 75.5 50.1 -47.6 -57.9 -33.2 -52.8 30.1 657 97 E N H > S+ 0 0 21 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.944 112.3 45.8 -47.4 -60.5 -33.9 -49.4 31.5 658 98 E A H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.872 112.8 52.8 -52.4 -38.9 -36.4 -50.7 34.1 659 99 E I H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 109.3 48.6 -64.5 -42.4 -34.0 -53.5 35.0 660 100 E I H X S+ 0 0 19 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.993 114.9 44.9 -58.8 -60.7 -31.2 -51.0 35.5 661 101 E E H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 113.1 49.3 -44.9 -61.3 -33.4 -48.8 37.7 662 102 E F H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.908 113.2 48.2 -48.8 -48.1 -34.9 -51.7 39.7 663 103 E Y H >X S+ 0 0 27 -4,-2.4 4,-0.8 1,-0.2 3,-0.6 0.938 109.7 49.1 -61.5 -50.6 -31.4 -53.1 40.4 664 104 E T H 3< S+ 0 0 55 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 115.7 49.1 -61.4 -23.3 -29.8 -49.8 41.5 665 105 E E H 3< S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.707 124.2 22.6 -90.6 -20.9 -32.8 -49.5 43.8 666 106 E Y H << S+ 0 0 64 -4,-1.5 7,-0.4 -3,-0.6 -2,-0.2 0.017 81.0 116.8-132.9 28.4 -32.9 -52.9 45.5 667 107 E Y S < S+ 0 0 104 -4,-0.8 -3,-0.1 1,-0.2 -1,-0.1 0.370 77.1 56.2 -80.0 8.4 -29.4 -54.1 45.1 668 108 E K S S+ 0 0 156 -3,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 0.737 80.2 97.5-103.7 -37.5 -29.0 -54.0 48.9 669 109 E T S > S- 0 0 60 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.327 70.8-141.0 -56.4 128.7 -31.9 -56.3 49.7 670 110 E N H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.973 95.3 42.0 -55.1 -65.6 -30.6 -59.9 50.2 671 111 E S H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.928 117.6 46.5 -49.0 -57.8 -33.3 -61.9 48.6 672 112 E I H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.954 108.6 54.0 -51.8 -60.8 -33.7 -59.6 45.6 673 113 E N H X S+ 0 0 41 -4,-2.2 4,-2.5 -7,-0.4 -1,-0.2 0.806 110.3 48.1 -47.1 -37.9 -30.0 -59.2 44.8 674 114 E E H X S+ 0 0 109 -4,-1.7 4,-2.7 -3,-0.3 5,-0.2 0.983 112.2 45.8 -68.5 -57.5 -29.6 -63.0 44.7 675 115 E K H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.897 116.3 51.0 -48.0 -43.4 -32.6 -63.7 42.4 676 116 E M H X S+ 0 0 6 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.906 108.4 47.1 -63.4 -49.1 -31.2 -60.8 40.4 677 117 E N H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.861 110.2 55.2 -64.4 -34.2 -27.6 -62.0 40.1 678 118 E K H X S+ 0 0 116 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.924 110.4 44.8 -63.0 -44.1 -29.0 -65.4 39.1 679 119 E L H X S+ 0 0 10 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.938 112.3 53.0 -63.1 -45.7 -30.9 -63.7 36.3 680 120 E E H X S+ 0 0 37 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.862 107.2 52.5 -58.0 -37.8 -27.8 -61.7 35.4 681 121 E N H X S+ 0 0 103 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.927 103.0 56.1 -67.2 -44.3 -25.8 -64.9 35.2 682 122 E K H X S+ 0 0 122 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.815 106.3 52.1 -58.5 -30.6 -28.2 -66.6 32.8 683 123 E Y H >< S+ 0 0 13 -4,-1.4 3,-0.6 1,-0.2 4,-0.5 0.913 113.1 42.3 -73.2 -41.2 -27.9 -63.7 30.3 684 124 E I H >X S+ 0 0 20 -4,-1.5 4,-2.0 1,-0.2 3,-1.4 0.868 100.8 72.3 -71.6 -36.3 -24.1 -63.8 30.3 685 125 E D H 3X S+ 0 0 82 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.780 86.9 64.5 -52.0 -28.5 -24.0 -67.6 30.2 686 126 E A H S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.5 -2,-0.2 0.823 109.6 62.3 -74.1 -32.1 -21.9 -65.7 25.6 688 128 E H H X S+ 0 0 48 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.888 107.5 43.3 -59.5 -41.3 -20.0 -67.9 28.0 689 129 E V H X S+ 0 0 61 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.840 109.9 53.8 -74.7 -37.2 -21.0 -71.0 26.0 690 130 E I H X S+ 0 0 3 -4,-1.4 4,-1.1 -5,-0.2 -2,-0.2 0.863 116.2 42.5 -66.1 -32.1 -20.4 -69.4 22.6 691 131 E F H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.853 112.3 49.6 -83.6 -37.6 -16.9 -68.6 23.8 692 132 E K H >X S+ 0 0 116 -4,-2.2 4,-1.9 2,-0.2 3,-1.1 0.992 114.4 44.7 -64.2 -58.5 -16.1 -71.9 25.6 693 133 E E H 3< S+ 0 0 77 -4,-1.7 6,-0.2 1,-0.3 -1,-0.2 0.880 110.2 55.9 -51.3 -43.3 -17.1 -74.1 22.6 694 134 E G H ><>S+ 0 0 0 -4,-1.1 5,-2.0 -5,-0.3 6,-1.1 0.840 105.6 54.0 -59.4 -32.6 -15.3 -71.7 20.3 695 135 E N H X<5S+ 0 0 46 -4,-1.3 2,-2.0 -3,-1.1 3,-1.9 0.981 107.5 47.3 -64.0 -59.5 -12.2 -72.3 22.4 696 136 E L T 3<5S+ 0 0 114 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 -0.326 112.6 52.3 -81.7 56.1 -12.3 -76.1 22.1 697 137 E N T < 5S- 0 0 109 -2,-2.0 -1,-0.3 -3,-0.7 -2,-0.2 0.134 112.4-112.3-167.9 4.6 -12.9 -75.9 18.4 698 138 E G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 2,-0.3 3,-0.1 0.593 80.8 126.6 64.7 12.6 -9.9 -73.6 17.5 699 139 E E S - 0 0 82 1,-0.2 4,-1.6 2,-0.0 -1,-0.3 -0.928 65.5-178.5-115.1 113.5 -10.5 -65.5 30.5 705 145 E V H > S+ 0 0 18 -2,-0.6 4,-3.5 -3,-0.3 5,-0.3 0.966 79.1 60.5 -70.0 -57.7 -14.0 -66.3 29.2 706 146 E N H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.796 109.8 47.3 -42.1 -35.1 -16.1 -65.0 32.1 707 147 E A H >> S+ 0 0 15 2,-0.2 4,-2.3 1,-0.1 3,-0.9 0.993 112.5 43.7 -72.0 -66.7 -14.6 -61.6 31.5 708 148 E V H 3X S+ 0 0 1 -4,-1.6 4,-3.2 1,-0.3 -2,-0.2 0.863 111.0 58.7 -45.8 -42.1 -15.0 -61.4 27.8 709 149 E S H 3X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -1,-0.3 0.917 107.3 45.3 -55.8 -46.2 -18.6 -62.8 28.2 710 150 E K H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 3,-0.5 0.972 113.6 49.4 -51.5 -65.0 -19.8 -58.7 25.1 713 153 E A H 3X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.872 116.1 42.2 -43.2 -52.4 -23.1 -58.9 26.8 714 154 E N H 3X S+ 0 0 8 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.3 0.811 115.8 49.1 -69.6 -31.2 -22.9 -55.3 28.2 715 155 E A H XX S+ 0 0 0 -4,-2.4 4,-1.4 -3,-0.5 3,-0.6 0.941 113.3 45.4 -73.7 -47.6 -21.5 -53.9 25.0 716 156 E V H >X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.3 3,-0.5 0.920 109.7 56.2 -59.8 -42.4 -24.1 -55.5 22.8 717 157 E N H 3X S+ 0 0 6 -4,-2.2 4,-2.2 -5,-0.4 -1,-0.3 0.787 105.7 53.3 -60.3 -26.4 -26.8 -54.4 25.3 718 158 E G H < S+ 0 0 4 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.932 119.2 33.6 -58.3 -49.6 -29.2 -52.4 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