==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-AUG-03 1QVU . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.SCHUMACHER,M.C.MILLER,R.G.BRENNAN . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 82.3 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 . 105 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 462 62.1 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 0 0 1 5 4 0 0 2 3 0 2 0 0 8 0 2 2 1 1 2 0 0 2 1 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 0 148 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.8 -97.4 -74.6 10.4 2 3 B L > + 0 0 72 2,-0.1 4,-1.4 3,-0.1 5,-0.2 0.852 360.0 38.4-102.1 -67.8 -94.4 -76.4 8.9 3 4 B K T 4 S+ 0 0 54 1,-0.2 4,-0.3 2,-0.2 -1,-0.0 0.512 129.1 41.8 -64.5 -1.1 -93.4 -74.9 5.6 4 5 B D T > S+ 0 0 78 2,-0.1 4,-1.7 3,-0.1 -1,-0.2 0.685 102.6 58.9-117.4 -31.7 -94.2 -71.6 7.4 5 6 B K H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.771 105.8 57.4 -70.4 -20.2 -92.9 -71.9 10.9 6 7 B I H X S+ 0 0 2 -4,-1.4 4,-3.4 2,-0.2 -1,-0.2 0.979 106.1 45.0 -66.9 -61.1 -89.5 -72.4 9.1 7 8 B L H > S+ 0 0 21 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.814 112.9 57.1 -51.8 -32.3 -89.8 -69.1 7.3 8 9 B G H X S+ 0 0 37 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.942 110.6 36.9 -68.9 -50.1 -90.8 -67.7 10.6 9 10 B V H X S+ 0 0 18 -4,-2.3 4,-2.8 -3,-0.2 -2,-0.2 0.905 117.7 58.1 -69.3 -35.6 -87.8 -68.7 12.7 10 11 B A H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 3,-0.5 0.979 102.9 47.5 -52.4 -74.1 -85.8 -67.9 9.6 11 12 B K H X S+ 0 0 54 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.853 116.1 48.4 -33.5 -52.6 -86.8 -64.2 9.1 12 13 B E H X S+ 0 0 75 -4,-1.5 4,-3.8 -5,-0.2 5,-0.3 0.916 110.2 48.3 -58.5 -51.3 -86.1 -63.7 12.9 13 14 B L H X S+ 0 0 13 -4,-2.8 4,-1.8 -3,-0.5 -2,-0.2 0.953 110.4 52.3 -56.9 -51.3 -82.7 -65.4 12.9 14 15 B F H < S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.868 117.6 39.1 -53.3 -37.9 -81.6 -63.4 9.9 15 16 B I H < S+ 0 0 47 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.971 116.7 47.0 -77.2 -54.7 -82.7 -60.2 11.7 16 17 B K H < S+ 0 0 154 -4,-3.8 -2,-0.2 -5,-0.1 -3,-0.2 0.594 133.7 7.6 -63.0 -13.8 -81.5 -61.1 15.3 17 18 B N S < S- 0 0 66 -4,-1.8 2,-0.2 -5,-0.3 80,-0.1 -0.268 100.6 -78.6-135.2-134.9 -78.1 -62.3 13.9 18 19 B G > - 0 0 3 -2,-0.1 4,-1.1 1,-0.1 79,-0.1 -0.732 42.2 -91.7-131.1-179.7 -76.7 -62.0 10.4 19 20 B Y T 4 S+ 0 0 0 -2,-0.2 -5,-0.1 1,-0.2 -4,-0.1 0.881 130.9 28.5 -60.8 -38.8 -77.2 -63.8 7.1 20 21 B N T 4 S+ 0 0 70 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.0 0.845 107.9 71.7 -88.5 -39.2 -74.2 -66.1 8.0 21 22 B A T 4 S+ 0 0 56 1,-0.1 2,-0.6 -7,-0.1 -2,-0.2 0.751 96.7 60.3 -47.8 -28.7 -74.7 -65.9 11.8 22 23 B T S < S- 0 0 0 -4,-1.1 2,-0.3 -8,-0.1 -1,-0.1 -0.922 73.9-178.9-108.5 116.4 -77.8 -68.1 11.2 23 24 B T >> - 0 0 65 -2,-0.6 3,-1.5 1,-0.1 4,-1.2 -0.763 42.8-103.2-111.5 160.8 -77.1 -71.4 9.6 24 25 B T H 3> S+ 0 0 68 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.784 117.5 67.5 -50.6 -33.5 -79.5 -74.2 8.7 25 26 B G H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.924 104.6 46.5 -53.4 -41.8 -78.5 -76.2 11.7 26 27 B E H X> S+ 0 0 69 -3,-1.5 4,-2.1 2,-0.2 3,-2.1 0.912 107.2 53.2 -65.6 -51.1 -80.2 -73.5 13.7 27 28 B I H 3X>S+ 0 0 4 -4,-1.2 4,-2.6 1,-0.3 5,-0.5 0.963 109.8 49.6 -50.3 -56.5 -83.4 -73.2 11.7 28 29 B V H 3<>S+ 0 0 40 -4,-2.2 5,-0.6 1,-0.2 -1,-0.3 0.331 111.7 52.5 -67.0 8.5 -84.0 -77.0 12.1 29 30 B K H <45S+ 0 0 167 -3,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.732 118.9 28.2-112.2 -38.5 -83.4 -76.6 15.8 30 31 B L H <5S+ 0 0 119 -4,-2.1 -2,-0.2 -3,-0.4 -3,-0.2 0.575 130.0 40.8 -99.2 -12.8 -85.8 -73.8 16.7 31 32 B S T <5S- 0 0 15 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.1 0.581 100.5-141.6-106.4 -16.6 -88.3 -74.6 13.9 32 33 B E T < + 0 0 146 -5,-0.5 2,-0.2 1,-0.1 -3,-0.2 0.914 46.1 128.9 52.5 104.7 -88.0 -78.3 14.4 33 34 B S < - 0 0 16 -5,-0.6 5,-0.2 -27,-0.0 -1,-0.1 -0.649 64.2 -92.1 176.2 122.5 -88.2 -80.2 11.0 34 35 B S >> - 0 0 62 -2,-0.2 3,-1.3 1,-0.2 4,-0.8 -0.032 44.6-109.8 -39.2 139.1 -85.9 -82.8 9.4 35 36 B K G >4 S+ 0 0 158 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.833 116.9 66.0 -43.6 -36.1 -83.2 -81.2 7.3 36 37 B G G >4 S+ 0 0 38 1,-0.2 3,-2.1 2,-0.2 -1,-0.3 0.898 87.1 63.8 -55.3 -48.1 -85.1 -82.5 4.3 37 38 B N G X4 S+ 0 0 77 -3,-1.3 3,-1.6 1,-0.3 5,-0.3 0.872 93.2 65.1 -43.4 -44.9 -88.3 -80.4 4.8 38 39 B L G << S+ 0 0 19 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.243 92.6 68.9 -65.9 16.3 -86.1 -77.4 4.2 39 40 B Y G < S+ 0 0 156 -3,-2.1 -1,-0.3 4,-0.1 -2,-0.2 0.541 82.6 66.2-115.9 -6.7 -85.6 -78.7 0.6 40 41 B Y S < S+ 0 0 175 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.956 120.1 8.8 -77.6 -85.5 -89.0 -78.3 -1.1 41 42 B H S S+ 0 0 90 -4,-0.3 2,-0.8 1,-0.2 -3,-0.1 0.791 131.2 62.4 -68.5 -23.8 -89.9 -74.7 -1.5 42 43 B F + 0 0 8 -5,-0.3 -1,-0.2 1,-0.1 6,-0.1 -0.834 58.1 176.5-105.4 97.2 -86.4 -73.8 -0.3 43 44 B K S S- 0 0 118 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.483 72.8 -9.0 -78.1 0.7 -83.8 -75.2 -2.8 44 45 B T S >> S- 0 0 62 -6,-0.1 4,-2.5 1,-0.1 3,-0.7 -0.968 78.4 -89.5-177.1 174.3 -81.0 -73.6 -0.7 45 46 B K H 3> S+ 0 0 37 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.875 128.0 54.8 -67.7 -36.7 -80.2 -71.2 2.2 46 47 B E H 3> S+ 0 0 50 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.578 109.5 48.6 -70.8 -9.9 -80.1 -68.4 -0.4 47 48 B N H <> S+ 0 0 30 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.846 107.9 51.1 -94.2 -48.2 -83.6 -69.6 -1.4 48 49 B L H X S+ 0 0 6 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.879 121.6 37.0 -54.8 -38.1 -84.9 -69.7 2.2 49 50 B F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.950 114.2 50.4 -80.7 -55.3 -83.6 -66.1 2.5 50 51 B L H X S+ 0 0 29 -4,-1.2 4,-0.6 1,-0.2 -2,-0.2 0.674 111.5 57.6 -57.8 -10.9 -84.4 -64.8 -1.0 51 52 B E H >X S+ 0 0 45 -4,-1.4 4,-1.6 2,-0.2 3,-1.4 0.960 103.0 47.0 -78.4 -63.7 -87.8 -66.2 -0.1 52 53 B I H 3X S+ 0 0 4 -4,-1.6 4,-2.9 1,-0.3 5,-0.3 0.817 104.9 63.9 -47.7 -39.0 -88.5 -64.2 3.1 53 54 B L H 3X S+ 0 0 8 -4,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.883 103.9 46.5 -55.9 -40.9 -87.4 -61.1 1.2 54 55 B N H X S+ 0 0 6 -4,-2.5 3,-1.5 2,-0.2 4,-1.2 0.888 106.0 49.4 -69.8 -42.5 -98.4 -49.2 2.4 65 66 B K H >< S+ 0 0 112 -4,-1.1 3,-0.6 1,-0.3 4,-0.3 0.939 111.5 51.4 -61.7 -45.1 -101.4 -49.5 0.1 66 67 B K T 3< S+ 0 0 142 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.188 120.1 35.0 -76.0 16.2 -103.5 -49.8 3.3 67 68 B E T X4 S+ 0 0 71 -3,-1.5 3,-0.6 -5,-0.1 -1,-0.2 0.378 94.2 83.2-145.3 -3.2 -102.0 -46.6 4.7 68 69 B Q G X< S+ 0 0 42 -4,-1.2 3,-1.1 -3,-0.6 -2,-0.1 0.490 71.9 77.7 -86.0 -2.1 -101.4 -44.5 1.7 69 70 B I G 3 S+ 0 0 121 -4,-0.3 -1,-0.2 1,-0.3 -3,-0.1 0.799 76.8 75.0 -75.3 -25.7 -104.9 -43.1 1.6 70 71 B K G < S+ 0 0 163 -3,-0.6 2,-0.7 1,-0.1 -1,-0.3 0.578 87.6 77.9 -60.8 -2.9 -103.9 -40.8 4.5 71 72 B C < - 0 0 5 -3,-1.1 -1,-0.1 1,-0.2 6,-0.1 -0.887 58.6-177.5-115.9 107.0 -102.1 -39.0 1.6 72 73 B K S S+ 0 0 162 -2,-0.7 2,-0.2 4,-0.1 -1,-0.2 0.886 72.1 35.2 -67.3 -43.0 -104.3 -36.9 -0.6 73 74 B T S > S- 0 0 54 1,-0.1 4,-1.7 65,-0.0 3,-0.1 -0.694 80.4-121.7-109.2 164.6 -101.6 -35.8 -3.0 74 75 B N H > S+ 0 0 14 2,-0.2 4,-3.3 -2,-0.2 5,-0.2 0.885 114.3 62.0 -71.5 -37.3 -98.5 -37.7 -4.3 75 76 B R H > S+ 0 0 117 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.850 109.8 44.2 -55.1 -28.8 -96.2 -35.0 -2.9 76 77 B E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.841 108.7 55.1 -83.0 -36.4 -97.7 -36.2 0.4 77 78 B K H X S+ 0 0 32 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.905 104.1 56.2 -63.6 -37.8 -97.4 -39.8 -0.5 78 79 B F H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 5,-0.2 0.987 110.8 42.5 -55.6 -63.5 -93.7 -39.3 -1.1 79 80 B Y H X S+ 0 0 35 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.863 116.7 49.6 -47.4 -45.2 -93.2 -37.9 2.5 80 81 B L H X S+ 0 0 34 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.929 108.0 49.9 -63.8 -51.6 -95.4 -40.6 4.0 81 82 B Y H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.935 114.4 46.6 -53.6 -50.8 -93.8 -43.6 2.3 82 83 B N H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.900 114.0 47.1 -58.8 -46.6 -90.4 -42.4 3.4 83 84 B E H >< S+ 0 0 58 -4,-2.3 3,-0.9 -5,-0.2 4,-0.3 0.891 111.6 50.0 -64.1 -42.9 -91.6 -41.7 7.0 84 85 B L H >X S+ 0 0 28 -4,-3.0 3,-2.5 1,-0.2 4,-1.7 0.887 98.2 70.3 -61.8 -37.6 -93.4 -45.1 7.3 85 86 B S H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 94.1 57.6 -46.7 -35.4 -90.1 -46.7 6.0 86 87 B L T << S+ 0 0 9 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.642 115.8 29.6 -73.8 -18.5 -88.6 -45.8 9.4 87 88 B T T <4 S+ 0 0 82 -3,-2.5 -2,-0.2 -4,-0.3 -1,-0.2 0.631 83.4 111.8-124.1 -10.2 -91.1 -47.7 11.5 88 89 B T < - 0 0 19 -4,-1.7 -28,-0.0 1,-0.1 3,-0.0 0.123 59.0-139.3 -51.9 176.4 -92.5 -50.8 9.7 89 90 B E S S+ 0 0 100 -33,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.159 77.1 98.4-120.2 7.4 -91.6 -54.2 11.0 90 91 B Y S S- 0 0 48 -31,-0.1 2,-2.5 2,-0.1 -2,-0.1 -0.818 95.0 -38.4-110.4 140.6 -91.3 -55.2 7.4 91 92 B Y S > S+ 0 0 16 -2,-0.4 3,-2.8 1,-0.2 -34,-0.1 -0.257 116.7 75.0 56.6 -69.9 -88.4 -55.6 5.0 92 93 B Y G > S+ 0 0 15 -2,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.622 86.2 65.2 -47.4 -21.9 -86.3 -52.7 6.1 93 94 B P G 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.420 99.5 53.7 -82.0 0.2 -85.2 -54.5 9.3 94 95 B L G <> S+ 0 0 1 -3,-2.8 4,-1.6 2,-0.1 -2,-0.2 0.175 74.3 105.1-116.0 13.1 -83.4 -57.1 7.1 95 96 B Q H <> S+ 0 0 4 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.894 82.0 49.8 -61.8 -40.8 -81.4 -54.5 5.2 96 97 B N H > S+ 0 0 31 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.981 109.6 49.9 -59.6 -55.2 -78.3 -55.4 7.2 97 98 B A H > S+ 0 0 3 1,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.784 112.0 50.3 -53.5 -29.8 -78.8 -59.1 6.5 98 99 B I H X S+ 0 0 15 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.928 106.7 51.9 -75.2 -45.4 -79.2 -58.2 2.8 99 100 B I H X S+ 0 0 17 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.964 114.8 45.3 -51.2 -55.5 -76.0 -56.1 2.7 100 101 B E H >< S+ 0 0 10 -4,-2.4 3,-3.1 1,-0.2 4,-0.4 0.977 113.6 47.8 -50.2 -70.6 -74.2 -59.1 4.2 101 102 B F H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.3 4,-0.3 0.775 107.3 56.0 -44.6 -38.0 -75.8 -61.7 1.9 102 103 B Y H 3< S+ 0 0 16 -4,-2.9 4,-0.3 1,-0.3 -1,-0.3 0.581 104.3 55.2 -76.1 -6.5 -75.1 -59.7 -1.2 103 104 B T T << S+ 0 0 33 -3,-3.1 -1,-0.3 -4,-0.6 -2,-0.2 0.411 111.2 44.0-101.6 0.1 -71.4 -59.6 -0.3 104 105 B E S < S+ 0 0 62 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.199 126.2 23.9-128.4 12.9 -71.2 -63.5 -0.1 105 106 B Y S > S+ 0 0 57 -4,-0.3 3,-1.3 -3,-0.1 6,-0.3 0.338 84.0 103.5-152.6 -8.0 -73.2 -64.6 -3.1 106 107 B Y T 3 S+ 0 0 69 -4,-0.3 6,-0.1 1,-0.3 -3,-0.1 0.694 82.5 62.4 -55.4 -15.2 -72.9 -61.7 -5.5 107 108 B K T 3 S+ 0 0 150 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.871 88.0 80.2 -77.3 -41.3 -70.4 -63.9 -7.2 108 109 B T S < S- 0 0 54 -3,-1.3 3,-0.5 1,-0.1 4,-0.3 -0.203 86.2-123.8 -62.1 161.6 -72.9 -66.7 -8.0 109 110 B N S > S+ 0 0 137 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.944 102.7 58.7 -77.2 -51.4 -75.1 -66.1 -11.1 110 111 B S T 3> S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.439 90.9 82.1 -61.8 4.5 -78.7 -66.3 -9.8 111 112 B I H 3> S+ 0 0 5 -3,-0.5 4,-0.8 -6,-0.3 -1,-0.2 0.894 93.4 39.8 -74.0 -46.5 -77.7 -63.4 -7.4 112 113 B N H <4 S+ 0 0 76 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.342 114.8 60.9 -86.6 5.1 -78.1 -60.6 -9.9 113 114 B E H >> S+ 0 0 87 -4,-0.3 3,-0.9 -3,-0.1 4,-0.8 0.897 105.3 36.7 -95.5 -61.9 -81.3 -62.4 -11.2 114 115 B K H 3X S+ 0 0 84 -4,-1.6 4,-1.8 1,-0.3 2,-0.5 0.854 106.5 73.1 -60.2 -32.3 -83.8 -62.7 -8.3 115 116 B M H 3< S+ 0 0 49 -4,-0.8 -1,-0.3 -5,-0.3 -4,-0.1 0.065 95.1 56.3 -68.8 26.0 -82.4 -59.2 -7.4 116 117 B N H <> S+ 0 0 88 -3,-0.9 4,-1.2 -2,-0.5 -1,-0.2 0.621 104.1 42.3-122.8 -54.6 -84.5 -58.0 -10.4 117 118 B K H X S+ 0 0 128 -4,-0.8 4,-0.7 1,-0.2 -2,-0.2 0.814 123.4 44.9 -66.4 -26.7 -88.1 -59.1 -9.8 118 119 B L H >X S+ 0 0 20 -4,-1.8 4,-2.0 2,-0.2 3,-0.9 0.911 107.2 55.6 -81.8 -45.2 -87.5 -58.0 -6.2 119 120 B E H 3> S+ 0 0 25 -5,-0.3 4,-1.4 1,-0.3 -2,-0.2 0.722 105.2 56.7 -60.5 -19.2 -85.8 -54.7 -7.2 120 121 B N H 3< S+ 0 0 79 -4,-1.2 4,-0.5 2,-0.2 -1,-0.3 0.824 105.0 48.1 -82.5 -30.6 -88.8 -53.9 -9.2 121 122 B K H XX S+ 0 0 47 -3,-0.9 3,-1.0 -4,-0.7 4,-0.9 0.969 110.9 54.8 -67.9 -49.8 -91.2 -54.3 -6.2 122 123 B Y H 3< S+ 0 0 9 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.826 115.9 33.6 -49.1 -47.9 -88.9 -52.1 -4.1 123 124 B I T 3X S+ 0 0 8 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.3 0.467 97.9 88.4 -95.1 1.0 -88.7 -49.1 -6.4 124 125 B D H X> S+ 0 0 61 -3,-1.0 4,-2.4 -4,-0.5 3,-0.9 0.991 79.6 59.1 -57.6 -62.1 -92.3 -49.6 -7.6 125 126 B A H 3X S+ 0 0 1 -4,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.833 112.0 40.5 -33.6 -53.4 -93.8 -47.5 -4.8 126 127 B Y H 3> S+ 0 0 0 -4,-0.4 4,-3.3 1,-0.2 5,-0.3 0.862 111.2 58.4 -68.5 -34.3 -91.8 -44.5 -6.0 127 128 B H H X S+ 0 0 112 -4,-3.2 3,-3.1 -5,-0.3 4,-1.7 0.987 113.5 48.0 -67.9 -58.4 -95.4 -41.3 -12.6 132 133 B E T 3< S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.3 6,-0.2 0.675 108.1 62.5 -54.2 -16.3 -98.9 -40.6 -11.2 133 134 B G T 34>S+ 0 0 0 -4,-0.4 6,-1.3 -5,-0.3 5,-0.6 0.638 98.7 50.2 -86.2 -17.7 -97.3 -37.3 -10.4 134 135 B N T X45S+ 0 0 49 -3,-3.1 3,-1.4 -4,-0.4 -2,-0.2 0.821 108.8 52.6 -84.5 -36.2 -96.6 -36.3 -14.0 135 136 B L T 3<5S+ 0 0 119 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.565 114.3 45.9 -70.5 -10.7 -100.2 -37.2 -14.8 136 137 B N T 3 5S- 0 0 99 -5,-0.3 -1,-0.3 3,-0.2 -2,-0.2 0.084 105.6-127.6-121.2 21.6 -101.0 -34.8 -11.9 137 138 B G T < 5S+ 0 0 62 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.381 71.7 127.5 49.4 -2.7 -98.7 -32.0 -12.8 138 139 B E S + 0 0 56 1,-0.2 4,-1.9 2,-0.1 3,-0.4 -0.536 66.6 163.1 -88.4 70.5 -86.3 -40.1 -16.3 144 145 B V H > S+ 0 0 17 -2,-1.4 4,-3.0 -3,-0.4 5,-0.2 0.898 72.0 53.3 -57.1 -45.6 -88.7 -41.7 -13.8 145 146 B N H > S+ 0 0 92 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.828 107.8 51.9 -60.6 -34.4 -86.8 -45.0 -13.4 146 147 B A H > S+ 0 0 17 -3,-0.4 4,-2.9 2,-0.2 3,-0.3 0.999 113.3 43.2 -62.0 -69.2 -83.7 -43.1 -12.5 147 148 B V H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.820 111.8 53.5 -46.4 -43.1 -85.4 -41.1 -9.8 148 149 B S H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 -1,-0.2 0.968 113.2 44.2 -59.8 -48.5 -87.3 -44.0 -8.4 149 150 B K H X S+ 0 0 49 -4,-2.0 4,-2.4 -3,-0.3 -2,-0.2 0.916 115.2 47.8 -59.5 -48.7 -84.1 -45.9 -8.0 150 151 B I H X S+ 0 0 2 -4,-2.9 4,-3.3 1,-0.2 3,-0.3 0.986 115.6 43.9 -55.6 -61.0 -82.2 -43.0 -6.6 151 152 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.853 111.5 54.3 -51.6 -44.9 -85.0 -42.1 -4.1 152 153 B A H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.931 115.7 38.6 -61.0 -42.6 -85.5 -45.8 -3.1 153 154 B N H X S+ 0 0 7 -4,-2.4 4,-2.1 -3,-0.3 -2,-0.2 0.933 113.3 52.6 -77.1 -42.6 -81.8 -46.1 -2.3 154 155 B A H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.950 113.4 47.0 -52.2 -51.2 -81.2 -42.8 -0.7 155 156 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.919 108.4 52.3 -58.6 -47.1 -84.2 -43.5 1.6 156 157 B N H X S+ 0 0 1 -4,-1.9 4,-3.2 -5,-0.3 -1,-0.3 0.845 110.0 52.8 -59.2 -31.3 -83.0 -47.0 2.5 157 158 B G H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.978 109.2 45.8 -66.9 -55.7 -79.7 -45.4 3.4 158 159 B I H < S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.6 46.4 -55.1 -39.8 -81.2 -42.8 5.7 159 160 B V H >< S+ 0 0 7 -4,-2.9 3,-0.6 -5,-0.2 -2,-0.2 0.961 119.9 36.8 -66.9 -51.7 -83.3 -45.6 7.2 160 161 B T H >< S+ 0 0 13 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.894 114.9 47.3 -70.7 -48.6 -80.5 -48.1 7.6 161 162 B F T 3< S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.009 112.8 47.8 -88.2 26.6 -77.4 -46.1 8.6 162 163 B T T X + 0 0 0 -3,-0.6 2,-3.0 -4,-0.1 3,-1.9 0.186 68.2 123.7-142.8 7.2 -79.0 -44.0 11.3 163 164 B H T < + 0 0 116 -3,-0.9 3,-0.1 1,-0.3 -3,-0.1 -0.077 69.6 62.2 -68.4 43.2 -80.8 -46.8 13.2 164 165 B E T 3 S+ 0 0 65 -2,-3.0 -1,-0.3 2,-0.1 2,-0.2 0.485 83.3 79.4-138.3 -27.0 -79.0 -45.7 16.3 165 166 B Q S < S- 0 0 30 -3,-1.9 5,-0.2 1,-0.1 -1,-0.1 -0.626 99.8 -71.3 -89.6 149.8 -80.2 -42.2 17.0 166 167 B N >> - 0 0 95 -2,-0.2 3,-2.0 1,-0.1 4,-1.7 0.009 43.9-117.5 -42.0 133.2 -83.7 -41.5 18.7 167 168 B I H 3> S+ 0 0 66 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.753 110.9 59.0 -46.6 -30.8 -86.7 -42.3 16.4 168 169 B N H 3> S+ 0 0 112 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.773 105.2 46.2 -74.0 -27.0 -87.8 -38.6 16.5 169 170 B E H <> S+ 0 0 65 -3,-2.0 4,-2.9 2,-0.2 5,-0.2 0.870 110.1 57.1 -77.4 -39.7 -84.6 -37.2 15.0 170 171 B R H X S+ 0 0 10 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.898 110.7 41.6 -56.1 -48.3 -84.7 -40.0 12.4 171 172 B I H X S+ 0 0 44 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.804 111.8 57.5 -72.3 -27.8 -88.2 -38.9 11.2 172 173 B K H X S+ 0 0 162 -4,-0.8 4,-1.5 -5,-0.2 3,-0.4 0.975 111.6 40.4 -66.5 -52.2 -87.1 -35.3 11.5 173 174 B L H X S+ 0 0 13 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.924 109.7 59.1 -59.7 -50.0 -84.2 -35.8 9.0 174 175 B M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.805 106.5 49.0 -51.7 -32.9 -86.2 -38.0 6.7 175 176 B N H X S+ 0 0 37 -4,-1.2 4,-2.4 -3,-0.4 -1,-0.2 0.900 107.1 52.5 -76.6 -40.7 -88.7 -35.2 6.2 176 177 B K H X S+ 0 0 56 -4,-1.5 4,-3.5 2,-0.2 -2,-0.2 0.912 112.6 49.2 -59.0 -40.4 -86.0 -32.6 5.5 177 178 B F H X S+ 0 0 0 -4,-2.7 4,-3.5 2,-0.2 -2,-0.2 0.992 109.8 46.8 -60.4 -64.3 -84.7 -35.1 2.9 178 179 B S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.841 115.3 51.8 -45.5 -37.5 -88.2 -35.8 1.2 179 180 B Q H X S+ 0 0 75 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.995 111.9 41.8 -63.2 -66.5 -88.5 -32.0 1.3 180 181 B I H X S+ 0 0 0 -4,-3.5 4,-0.9 2,-0.2 -2,-0.2 0.881 114.9 53.6 -49.7 -44.6 -85.1 -31.3 -0.4 181 182 B F H >X S+ 0 0 0 -4,-3.5 3,-2.6 1,-0.2 4,-0.9 0.981 111.3 41.7 -55.7 -67.5 -85.6 -34.1 -2.9 182 183 B L H >X S+ 0 0 9 -4,-2.1 4,-1.0 1,-0.3 3,-0.8 0.849 110.0 58.9 -49.1 -39.8 -89.0 -33.0 -4.2 183 184 B N H 3< S+ 0 0 71 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.763 103.4 55.7 -64.7 -18.0 -87.8 -29.4 -4.2 184 185 B G H << S+ 0 0 9 -3,-2.6 -1,-0.2 -4,-0.9 -2,-0.2 0.735 98.2 59.7 -83.8 -25.2 -85.1 -30.7 -6.6 185 186 B L H << 0 0 25 -4,-0.9 -45,-0.4 -3,-0.8 -2,-0.2 0.776 360.0 360.0 -73.6 -27.5 -87.5 -32.2 -9.1 186 187 B S < 0 0 106 -4,-1.0 -47,-0.1 -47,-0.1 -48,-0.0 -0.507 360.0 360.0 -93.8 360.0 -89.3 -28.8 -9.8 187 !* 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 0.0 188 2 D N 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.7 -28.9 -18.4 43.3 189 3 D L > + 0 0 56 3,-0.1 4,-1.1 2,-0.1 5,-0.0 0.491 360.0 52.6-121.3 -22.0 -32.4 -19.8 42.8 190 4 D K H > S+ 0 0 62 2,-0.2 4,-0.6 3,-0.1 0, 0.0 0.497 114.7 43.2 -92.3 -9.0 -32.0 -20.8 39.1 191 5 D D H > S+ 0 0 85 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.713 108.5 56.3-104.0 -32.4 -28.8 -22.7 40.0 192 6 D K H > S+ 0 0 102 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.960 111.4 46.7 -60.2 -51.2 -30.3 -24.3 43.1 193 7 D I H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 5,-0.3 0.911 111.6 49.1 -58.4 -47.4 -33.1 -25.6 40.8 194 8 D L H X S+ 0 0 22 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.919 116.4 44.3 -61.6 -39.1 -30.7 -26.8 38.1 195 9 D G H X S+ 0 0 38 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.939 115.0 44.5 -70.6 -49.8 -28.6 -28.6 40.8 196 10 D V H X S+ 0 0 26 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.951 117.6 47.1 -58.4 -49.0 -31.5 -30.2 42.8 197 11 D A H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.3 5,-0.3 0.881 107.6 54.7 -61.0 -41.8 -33.1 -31.2 39.6 198 12 D K H X S+ 0 0 54 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.918 110.9 47.2 -58.4 -43.1 -30.0 -32.7 38.1 199 13 D E H X S+ 0 0 106 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.860 112.1 49.3 -67.3 -36.9 -29.6 -34.8 41.2 200 14 D L H X>S+ 0 0 9 -4,-2.0 4,-3.3 2,-0.2 5,-0.5 0.939 106.5 54.8 -70.4 -45.6 -33.3 -35.9 41.0 201 15 D F H X5S+ 0 0 1 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.861 112.6 45.8 -53.8 -33.9 -33.1 -36.8 37.3 202 16 D I H <5S+ 0 0 54 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.858 116.1 43.7 -77.1 -36.9 -30.2 -39.1 38.3 203 17 D K H <5S+ 0 0 140 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.953 134.5 14.2 -74.1 -46.8 -31.9 -40.6 41.4 204 18 D N H X5S- 0 0 25 -4,-3.3 4,-0.7 1,-0.2 -3,-0.2 0.354 99.9-123.7-113.1 3.8 -35.3 -41.2 39.8 205 19 D G H X< - 0 0 2 -4,-1.3 4,-0.9 -5,-0.5 -1,-0.2 -0.054 44.6 -63.9 75.5 173.3 -34.8 -40.9 36.0 206 20 D Y H >4 S+ 0 0 2 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.957 127.4 51.2 -62.7 -58.4 -36.8 -38.4 33.9 207 21 D N H 34 S+ 0 0 28 1,-0.2 -1,-0.2 371,-0.2 -2,-0.1 0.768 111.4 47.4 -54.9 -30.2 -40.4 -39.7 34.2 208 22 D A H 3< S+ 0 0 27 -4,-0.7 2,-0.6 -3,-0.1 -1,-0.2 0.717 94.1 83.4 -87.8 -19.9 -40.4 -39.8 38.0 209 23 D T << - 0 0 0 -4,-0.9 2,-0.3 -3,-0.9 3,-0.0 -0.726 64.3-172.7 -85.6 123.0 -38.9 -36.4 38.6 210 24 D T > - 0 0 70 -2,-0.6 4,-3.1 1,-0.1 5,-0.2 -0.838 39.7-117.0-117.0 158.5 -41.6 -33.8 38.4 211 25 D T H > S+ 0 0 22 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.893 116.5 61.0 -53.4 -38.5 -41.5 -30.0 38.4 212 26 D G H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.953 110.6 34.8 -53.0 -59.7 -43.4 -30.4 41.7 213 27 D E H > S+ 0 0 62 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.868 116.7 56.4 -64.6 -38.4 -40.8 -32.3 43.5 214 28 D I H < S+ 0 0 0 -4,-3.1 4,-0.4 2,-0.2 3,-0.2 0.940 112.9 42.0 -57.2 -49.8 -38.0 -30.3 41.8 215 29 D V H >X S+ 0 0 12 -4,-3.3 3,-2.2 -5,-0.2 4,-0.5 0.973 113.0 46.2 -63.5 -63.7 -39.5 -27.1 43.0 216 30 D K H 3< S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.604 113.2 54.3 -61.4 -8.4 -40.5 -27.8 46.6 217 31 D L T 3< S+ 0 0 87 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.547 116.4 35.7 -99.1 -12.2 -37.0 -29.4 47.0 218 32 D S T <4 S- 0 0 1 -3,-2.2 -2,-0.2 -4,-0.4 -25,-0.2 0.151 116.8-115.2-121.3 12.5 -35.2 -26.3 45.8 219 33 D E S < S+ 0 0 132 -4,-0.5 2,-0.2 1,-0.2 -3,-0.2 0.968 73.8 98.4 47.2 84.6 -37.8 -23.9 47.5 220 34 D S - 0 0 38 -5,-0.3 2,-0.3 -27,-0.0 -1,-0.2 -0.773 66.0 -92.8-162.7-156.6 -39.5 -22.1 44.6 221 35 D S > - 0 0 74 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.976 28.1-114.7-141.3 152.7 -42.6 -22.2 42.5 222 36 D K H > S+ 0 0 100 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.805 118.1 57.4 -56.4 -29.2 -43.6 -23.7 39.2 223 37 D G H > S+ 0 0 44 2,-0.2 4,-2.9 3,-0.2 -1,-0.3 0.917 105.4 50.2 -67.7 -41.9 -44.0 -20.2 37.8 224 38 D N H > S+ 0 0 50 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.988 109.1 49.2 -56.7 -62.6 -40.4 -19.5 38.7 225 39 D L H X>S+ 0 0 1 -4,-2.0 4,-3.2 1,-0.3 5,-1.1 0.817 113.5 49.9 -46.8 -35.9 -39.1 -22.7 37.0 226 40 D Y H <5S+ 0 0 121 -4,-1.6 4,-0.4 -5,-0.3 -1,-0.3 0.927 107.2 52.8 -69.1 -47.0 -41.2 -21.5 34.0 227 41 D Y H <5S+ 0 0 193 -4,-2.9 -2,-0.2 -3,-0.2 -1,-0.2 0.901 122.0 32.2 -54.4 -43.4 -39.7 -18.0 34.1 228 42 D H H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.824 142.3 6.7 -85.4 -37.1 -36.2 -19.6 34.1 229 43 D F T <5S- 0 0 1 -4,-3.2 2,-1.0 -5,-0.3 -3,-0.3 0.682 77.1-151.9-120.7 -26.5 -36.6 -22.7 32.0 230 44 D K S > S- 0 0 66 -2,-1.0 3,-2.2 1,-0.1 4,-1.4 -0.710 77.0-125.9 -96.7 146.7 -40.9 -26.5 30.1 232 46 D K H 3> S+ 0 0 35 1,-0.3 4,-2.1 -2,-0.3 3,-0.2 0.878 112.4 62.2 -55.5 -37.9 -39.5 -29.2 32.3 233 47 D E H 3> S+ 0 0 15 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.641 104.6 49.3 -63.3 -12.2 -38.3 -31.0 29.2 234 48 D N H <> S+ 0 0 25 -3,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.800 102.3 58.2 -94.7 -33.6 -36.2 -27.9 28.6 235 49 D L H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.2 -2,-0.2 0.908 109.5 47.8 -57.9 -43.3 -34.7 -27.9 32.1 236 50 D F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.891 107.6 53.6 -66.8 -42.1 -33.4 -31.3 31.3 237 51 D L H X S+ 0 0 6 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.824 111.9 46.6 -63.1 -30.4 -32.0 -30.2 28.0 238 52 D E H >X S+ 0 0 49 -4,-1.9 4,-2.9 2,-0.2 3,-1.4 0.970 110.6 49.6 -73.9 -55.6 -30.1 -27.5 29.8 239 53 D I H 3X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.3 5,-0.3 0.892 111.5 56.0 -45.7 -40.1 -28.9 -29.8 32.5 240 54 D L H 3X S+ 0 0 3 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.777 108.4 41.6 -66.7 -33.0 -27.9 -31.9 29.5 241 55 D N H X S+ 0 0 61 -4,-1.7 4,-2.7 2,-0.2 3,-0.8 0.935 108.5 52.3 -81.2 -48.1 -19.7 -29.4 28.5 246 60 D K H 3X S+ 0 0 90 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.748 112.6 50.0 -60.0 -20.5 -18.0 -30.0 31.8 247 61 D W H 3X S+ 0 0 6 -4,-1.6 4,-0.6 2,-0.2 -1,-0.3 0.712 111.6 45.6 -88.1 -25.1 -17.3 -33.5 30.5 248 62 D Q H < S+ 0 0 111 -4,-1.5 3,-0.8 1,-0.2 4,-0.3 0.908 112.5 48.1 -53.5 -41.3 -9.6 -31.8 26.9 253 67 D K H >< S+ 0 0 137 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.971 117.8 37.6 -63.5 -55.9 -7.6 -31.0 30.1 254 68 D E T 3< S+ 0 0 65 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.182 96.9 84.1 -85.1 19.2 -6.8 -34.6 31.1 255 69 D Q T X S+ 0 0 33 -3,-0.8 3,-0.8 -4,-0.4 -1,-0.2 0.639 74.9 71.0 -94.6 -14.0 -6.2 -35.8 27.5 256 70 D I T < S+ 0 0 105 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.852 77.4 76.1 -67.2 -39.8 -2.6 -34.6 27.4 257 71 D K T 3 S+ 0 0 171 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4,-3.2 2,-0.2 5,-0.2 0.911 107.6 50.6 -69.1 -43.8 -8.0 -43.1 28.6 268 82 D Y H X S+ 0 0 3 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.975 110.1 50.6 -57.6 -55.6 -11.4 -41.8 27.5 269 83 D N H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.829 114.6 45.2 -49.9 -39.0 -13.0 -45.2 28.1 270 84 D E H >X S+ 0 0 58 -4,-1.4 3,-1.0 -5,-0.2 4,-0.7 0.912 110.5 50.7 -74.8 -46.2 -11.5 -45.3 31.6 271 85 D L H >X S+ 0 0 28 -4,-3.2 4,-2.3 1,-0.2 3,-1.4 0.888 100.3 67.9 -59.3 -35.2 -12.3 -41.7 32.6 272 86 D S H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 97.3 53.0 -51.4 -36.6 -15.9 -42.4 31.4 273 87 D L H << S+ 0 0 12 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.723 119.7 30.3 -72.2 -24.7 -16.4 -44.8 34.4 274 88 D T H << S+ 0 0 82 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.574 86.5 114.6-116.5 -11.7 -15.3 -42.4 37.0 275 89 D T < - 0 0 17 -4,-2.3 -28,-0.1 -5,-0.1 -3,-0.0 -0.186 59.5-142.1 -58.5 150.9 -16.2 -38.9 35.8 276 90 D E S S+ 0 0 120 3,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.471 76.2 90.5 -92.0 0.8 -18.8 -37.1 37.8 277 91 D Y S S- 0 0 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E H 3X S+ 0 0 3 -4,-1.7 4,-2.0 1,-0.3 5,-0.2 0.957 113.7 53.0 -50.4 -58.7 -36.4 -42.1 29.1 288 102 D F H 3X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.690 109.6 50.9 -53.4 -20.0 -36.3 -38.6 27.8 289 103 D Y H > S- 0 0 82 1,-0.2 4,-1.3 2,-0.1 3,-1.0 -0.092 79.2-139.8 -40.9 123.5 -41.9 -34.0 17.9 296 110 D N H 3> S+ 0 0 119 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.626 90.4 78.6 -66.5 -14.0 -39.2 -32.7 15.6 297 111 D S H 34 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.854 106.0 28.9 -64.1 -35.5 -38.8 -29.5 17.7 298 112 D I H X> S+ 0 0 15 -3,-1.0 4,-2.3 -6,-0.3 3,-0.6 0.816 104.4 73.7 -94.8 -34.9 -36.7 -31.4 20.3 299 113 D N H 3X S+ 0 0 41 -4,-1.3 4,-0.7 -7,-0.3 -2,-0.2 0.678 96.2 56.1 -54.4 -18.7 -35.1 -34.1 18.2 300 114 D E H 3X S+ 0 0 134 -4,-0.7 4,-0.8 2,-0.2 -1,-0.3 0.899 109.0 43.0 -79.6 -45.0 -32.9 -31.3 16.7 301 115 D K H <> S+ 0 0 96 -3,-0.6 4,-1.7 -4,-0.4 -2,-0.2 0.826 114.6 52.9 -68.7 -32.9 -31.5 -30.2 20.1 302 116 D M H X S+ 0 0 14 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.691 112.0 42.7 -76.7 -23.5 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111.4 45.3 -61.4 -46.2 -14.2 -39.1 15.9 315 129 D V H >X S+ 0 0 62 -4,-3.2 4,-2.1 2,-0.2 3,-0.5 0.993 114.8 45.5 -58.7 -67.0 -11.3 -37.0 16.9 316 130 D I H 3X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.884 117.9 44.9 -44.0 -48.9 -9.3 -39.8 18.4 317 131 D F H 3X S+ 0 0 0 -4,-3.1 4,-1.1 2,-0.2 -1,-0.3 0.822 110.3 54.4 -71.4 -30.1 -10.0 -42.0 15.4 318 132 D K H XX S+ 0 0 108 -4,-2.4 4,-2.0 -3,-0.5 3,-1.0 0.989 111.9 42.4 -65.0 -58.2 -9.3 -39.3 12.8 319 133 D E H 3< S+ 0 0 69 -4,-2.1 6,-0.3 1,-0.3 -2,-0.2 0.867 105.6 63.6 -54.9 -43.3 -5.8 -38.6 14.1 320 134 D G H ><>S+ 0 0 0 -4,-1.9 5,-4.2 -5,-0.4 6,-0.8 0.900 107.9 43.5 -51.0 -38.8 -5.0 -42.2 14.6 321 135 D N H X<5S+ 0 0 45 -4,-1.1 3,-1.9 -3,-1.0 -2,-0.2 0.942 114.1 48.0 -71.4 -46.8 -5.4 -42.4 10.8 322 136 D L T 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.155 117.7 45.4 -78.5 20.7 -3.4 -39.2 10.2 323 137 D N T < 5S- 0 0 105 -3,-0.8 -1,-0.3 3,-0.2 -2,-0.2 0.111 112.2-120.4-142.8 7.4 -0.9 -40.7 12.6 324 138 D G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.786 71.7 133.9 50.9 34.1 -0.9 -44.2 11.0 325 139 D E S + 0 0 87 1,-0.2 4,-1.6 2,-0.1 -1,-0.3 -0.813 64.2 178.7 -95.2 102.0 -15.7 -45.1 8.1 331 145 D V H > S+ 0 0 16 -2,-1.0 4,-3.7 -3,-0.3 5,-0.2 0.847 82.0 59.6 -67.4 -35.8 -14.6 -43.3 11.3 332 146 D N H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 104.0 49.7 -60.7 -41.2 -18.2 -42.4 11.8 333 147 D A H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 116.3 41.6 -65.2 -43.1 -19.2 -46.1 12.0 334 148 D V H X S+ 0 0 0 -4,-1.6 4,-3.6 2,-0.2 5,-0.3 0.926 110.3 57.2 -71.2 -42.5 -16.5 -46.8 14.5 335 149 D S H X S+ 0 0 4 -4,-3.7 4,-2.8 1,-0.2 -1,-0.2 0.884 113.4 40.6 -53.0 -42.4 -17.0 -43.7 16.5 336 150 D K H X S+ 0 0 47 -4,-1.8 4,-3.0 2,-0.2 5,-0.4 0.958 115.7 48.5 -71.6 -54.3 -20.7 -44.7 17.0 337 151 D I H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.945 117.3 45.0 -49.0 -52.0 -20.0 -48.4 17.6 338 152 D A H X S+ 0 0 0 -4,-3.6 4,-2.6 1,-0.2 5,-0.3 0.969 113.5 47.9 -54.3 -63.9 -17.2 -47.3 20.1 339 153 D A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.859 117.6 39.8 -48.3 -48.7 -19.3 -44.6 21.8 340 154 D N H X S+ 0 0 9 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.839 113.4 55.7 -74.7 -32.3 -22.4 -46.7 22.4 341 155 D A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.4 -2,-0.2 0.940 114.3 38.8 -61.7 -50.7 -20.4 -49.8 23.2 342 156 D V H X S+ 0 0 0 -4,-2.6 4,-3.6 2,-0.2 5,-0.2 0.914 111.8 56.6 -65.7 -47.4 -18.5 -48.0 26.0 343 157 D N H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.847 108.7 50.7 -55.3 -34.2 -21.5 -46.1 27.2 344 158 D G H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.945 110.7 45.5 -68.4 -50.0 -23.1 -49.6 27.6 345 159 D I H < S+ 0 0 4 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.894 114.1 52.2 -59.8 -41.4 -20.1 -51.0 29.6 346 160 D V H < S+ 0 0 8 -4,-3.6 -1,-0.2 1,-0.2 3,-0.2 0.904 120.3 30.5 -61.0 -44.5 -20.2 -47.8 31.7 347 161 D T H >< S+ 0 0 16 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.786 113.2 55.1 -91.6 -30.0 -24.0 -48.0 32.5 348 162 D F T 3< S+ 0 0 15 -4,-3.2 -1,-0.2 1,-0.2 -3,-0.1 0.401 112.1 44.8 -88.2 9.2 -24.9 -51.7 32.6 349 163 D T T > + 0 0 3 -4,-0.4 3,-1.1 -3,-0.2 -1,-0.2 0.121 69.9 120.4-130.7 14.4 -22.2 -52.5 35.2 350 164 D H T < + 0 0 122 -3,-0.8 -2,-0.1 1,-0.2 4,-0.1 0.638 68.3 70.0 -56.1 -12.5 -22.8 -49.5 37.6 351 165 D E T 3 S+ 0 0 46 -4,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.891 89.4 64.5 -77.1 -40.5 -23.5 -52.2 40.3 352 166 D Q S < S- 0 0 57 -3,-1.1 -3,-0.1 1,-0.2 2,-0.0 -0.086 97.9 -50.9 -85.8 179.4 -20.1 -53.8 40.9 353 167 D N > - 0 0 93 1,-0.2 4,-2.6 4,-0.1 3,-0.5 -0.221 43.7-135.2 -49.1 119.1 -16.6 -52.9 42.2 354 168 D I H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.666 105.7 57.3 -55.3 -14.9 -15.2 -49.7 40.5 355 169 D N H > S+ 0 0 108 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.914 106.5 43.0 -82.5 -49.4 -12.0 -51.7 40.1 356 170 D E H > S+ 0 0 57 -3,-0.5 4,-2.7 1,-0.2 5,-0.3 0.889 112.6 58.1 -62.4 -36.5 -13.4 -54.6 38.2 357 171 D R H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.945 108.0 43.2 -57.2 -49.7 -15.3 -52.0 36.2 358 172 D I H X S+ 0 0 43 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.821 113.3 56.4 -66.7 -26.1 -12.0 -50.2 35.2 359 173 D K H >X S+ 0 0 151 -4,-1.7 4,-1.9 2,-0.2 3,-0.8 0.946 109.1 41.0 -70.4 -52.5 -10.5 -53.7 34.5 360 174 D L H 3X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.871 108.6 63.4 -64.2 -37.1 -13.1 -54.9 32.0 361 175 D M H 3X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.784 107.4 43.7 -60.2 -25.1 -13.2 -51.5 30.4 362 176 D N H < S+ 0 0 14 -4,-2.7 3,-1.4 -5,-0.2 -1,-0.2 0.840 110.5 58.2 -54.7 -33.5 -8.3 -51.5 19.2 370 184 D N H >< S+ 0 0 76 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.976 98.3 57.0 -63.0 -52.3 -6.8 -54.8 18.2 371 185 D G T 3< S+ 0 0 8 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.337 86.4 88.8 -61.4 11.3 -9.6 -55.6 15.8 372 186 D L T < 0 0 10 -3,-1.4 -45,-0.8 1,-0.2 -1,-0.2 0.325 360.0 360.0 -95.6 11.1 -9.0 -52.4 13.9 373 187 D S < 0 0 112 -3,-0.9 -1,-0.2 -47,-0.1 -2,-0.1 0.174 360.0 360.0-169.9 360.0 -6.4 -53.5 11.3 374 !* 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 0 138 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.9 -43.9 -48.9 16.0 376 3 A L H > + 0 0 56 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.824 360.0 51.9 -68.4 -25.3 -44.6 -52.4 17.4 377 4 A K H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 110.3 46.7 -69.3 -47.4 -48.1 -50.8 17.7 378 5 A D H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.826 108.0 54.8 -64.4 -33.7 -47.9 -49.8 14.1 379 6 A K H X S+ 0 0 85 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.888 107.9 51.4 -68.5 -37.6 -46.6 -53.2 12.9 380 7 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.924 109.7 48.3 -64.1 -45.2 -49.7 -54.8 14.6 381 8 A L H X S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.966 114.4 47.8 -59.4 -50.7 -52.1 -52.4 12.8 382 9 A G H X S+ 0 0 38 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.952 115.2 41.9 -54.2 -55.5 -50.4 -53.1 9.5 383 10 A V H X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.922 115.2 51.9 -59.0 -44.3 -50.4 -56.9 9.9 384 11 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.893 105.5 54.6 -61.7 -41.7 -54.0 -56.9 11.3 385 12 A K H X S+ 0 0 51 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.976 111.1 45.7 -55.9 -53.8 -55.3 -54.8 8.4 386 13 A E H X S+ 0 0 110 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.908 112.4 50.1 -55.2 -47.3 -53.9 -57.4 5.9 387 14 A L H X>S+ 0 0 18 -4,-2.7 4,-3.6 1,-0.2 5,-0.7 0.959 111.2 48.1 -57.7 -51.6 -55.2 -60.3 7.9 388 15 A F H X5S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.883 113.2 50.1 -53.8 -45.1 -58.7 -58.8 8.1 389 16 A I H <5S+ 0 0 51 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.861 118.8 36.0 -64.0 -39.3 -58.6 -58.1 4.3 390 17 A K H <5S+ 0 0 174 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.941 136.1 18.1 -81.8 -48.2 -57.5 -61.6 3.4 391 18 A N H X5S- 0 0 55 -4,-3.6 4,-0.6 -5,-0.2 -3,-0.2 0.555 105.4-124.3-102.2 -9.0 -59.5 -63.7 5.9 392 19 A G H X< - 0 0 11 -4,-1.6 4,-1.5 -5,-0.7 -1,-0.2 -0.066 35.0 -66.5 88.5 166.2 -62.1 -61.2 7.1 393 20 A Y H 4 S+ 0 0 5 1,-0.2 -1,-0.1 2,-0.2 78,-0.1 0.920 128.8 45.3 -60.3 -47.4 -63.1 -59.9 10.5 394 21 A N H 4 S+ 0 0 89 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.876 113.2 48.4 -65.9 -41.7 -64.4 -63.2 11.9 395 22 A A H < S+ 0 0 51 -4,-0.6 2,-0.5 -7,-0.1 -1,-0.2 0.779 87.9 91.7 -73.6 -31.1 -61.6 -65.4 10.8 396 23 A T < - 0 0 0 -4,-1.5 2,-0.2 -8,-0.1 -8,-0.0 -0.559 62.4-163.5 -70.0 118.0 -58.7 -63.3 11.9 397 24 A T > - 0 0 68 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.587 29.5-121.6 -96.9 164.5 -57.7 -64.4 15.5 398 25 A T H > S+ 0 0 59 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.756 111.4 66.6 -78.2 -19.0 -55.5 -62.3 17.8 399 26 A G H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.952 102.5 45.0 -60.8 -50.8 -53.2 -65.3 17.9 400 27 A E H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.947 114.0 49.6 -56.0 -53.5 -52.3 -64.8 14.2 401 28 A I H X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.886 111.8 49.4 -55.7 -41.3 -52.0 -61.0 14.7 402 29 A V H <>S+ 0 0 16 -4,-2.6 5,-2.3 2,-0.2 -1,-0.2 0.947 116.2 40.7 -65.1 -48.1 -49.7 -61.6 17.6 403 30 A K H ><5S+ 0 0 163 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.936 113.5 50.2 -68.7 -48.8 -47.5 -64.1 15.9 404 31 A L H 3<5S+ 0 0 102 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.681 115.2 43.8 -66.6 -16.4 -47.2 -62.4 12.5 405 32 A S T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.350 110.4-122.1-107.7 3.6 -46.3 -59.0 14.0 406 33 A E T < 5S+ 0 0 119 -3,-1.4 -3,-0.2 -4,-0.2 2,-0.1 0.948 73.7 109.9 52.6 61.8 -43.9 -60.5 16.4 407 34 A S < - 0 0 8 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.1 -0.346 61.2-105.4-135.5-147.1 -45.5 -59.2 19.6 408 35 A S > - 0 0 27 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.994 25.7-106.7-155.0 157.7 -47.5 -60.8 22.4 409 36 A K H > S+ 0 0 167 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.878 121.5 55.1 -52.1 -35.9 -51.1 -61.2 23.7 410 37 A G H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 107.4 44.4 -65.2 -47.8 -49.9 -58.8 26.4 411 38 A N H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 114.7 49.6 -65.0 -38.4 -48.8 -56.1 24.1 412 39 A L H X>S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 5,-0.9 0.963 111.1 49.9 -63.4 -47.9 -51.9 -56.4 22.0 413 40 A Y H X5S+ 0 0 26 -4,-2.8 4,-0.9 -5,-0.3 -2,-0.2 0.883 111.0 50.5 -55.9 -43.6 -54.1 -56.3 25.1 414 41 A Y H <5S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.3 39.3 -64.3 -38.1 -52.3 -53.2 26.3 415 42 A H H <5S+ 0 0 59 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.814 140.2 1.5 -85.7 -27.9 -52.6 -51.3 23.1 416 43 A F H <5 - 0 0 7 -4,-2.6 2,-2.6 -5,-0.2 -3,-0.2 0.560 69.9-149.7-136.4 -18.9 -56.2 -52.3 22.1 417 44 A K S < S- 0 0 50 -2,-2.6 4,-2.6 -6,-0.1 5,-0.1 -0.918 76.2-113.4-142.4 169.6 -59.9 -56.4 22.1 419 46 A K H > S+ 0 0 42 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.927 118.3 57.0 -66.0 -42.3 -60.2 -57.4 18.5 420 47 A E H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.833 111.2 42.8 -56.9 -36.8 -63.2 -55.0 18.2 421 48 A N H > S+ 0 0 34 2,-0.2 4,-2.0 -5,-0.2 -1,-0.2 0.894 110.9 53.8 -77.2 -40.7 -61.0 -52.2 19.4 422 49 A L H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.6 0.969 110.9 47.7 -53.1 -55.3 -58.1 -53.2 17.2 423 50 A F H 3X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.3 -1,-0.2 0.876 109.7 51.6 -55.9 -43.0 -60.4 -53.2 14.2 424 51 A L H 3X S+ 0 0 12 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.3 0.818 108.9 52.0 -64.4 -31.4 -61.9 -49.7 15.1 425 52 A E H X S+ 0 0 106 -4,-2.8 4,-2.3 -5,-0.3 3,-0.7 0.936 110.7 48.0 -56.7 -45.9 -56.6 -38.1 0.3 438 65 A W H 3X S+ 0 0 19 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.874 102.6 62.1 -63.2 -39.8 -59.7 -35.8 0.0 439 66 A K H 3< S+ 0 0 156 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.821 112.5 37.6 -56.5 -31.6 -57.8 -32.7 1.0 440 67 A K H X< S+ 0 0 151 -4,-1.2 3,-1.0 -3,-0.7 4,-0.3 0.893 115.6 51.7 -86.4 -44.9 -55.6 -33.1 -2.1 441 68 A E H >< S+ 0 0 61 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.816 97.9 64.8 -62.9 -36.1 -58.3 -34.3 -4.4 442 69 A Q G >< S+ 0 0 44 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.705 80.8 79.3 -64.6 -20.7 -60.7 -31.5 -3.8 443 70 A I G < S+ 0 0 127 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.827 85.0 64.5 -54.6 -30.6 -58.3 -28.9 -5.2 444 71 A K G < S+ 0 0 153 -3,-1.6 2,-0.8 -4,-0.3 -1,-0.3 0.853 94.3 70.4 -60.8 -31.7 -59.6 -30.2 -8.5 445 72 A C < - 0 0 6 -3,-2.1 -1,-0.2 -4,-0.3 6,-0.1 -0.784 60.9-177.9 -96.4 106.1 -63.0 -28.8 -7.4 446 73 A K + 0 0 185 -2,-0.8 -1,-0.2 4,-0.1 2,-0.1 0.993 69.1 40.8 -60.7 -68.4 -63.0 -25.0 -7.5 447 74 A T S > S- 0 0 39 1,-0.1 4,-2.1 65,-0.0 3,-0.3 -0.459 83.0-121.1 -84.1 155.1 -66.6 -24.4 -6.2 448 75 A N H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.763 112.2 64.1 -65.5 -27.3 -68.4 -26.3 -3.4 449 76 A R H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.966 107.8 44.7 -59.3 -45.0 -71.1 -27.3 -5.7 450 77 A E H > S+ 0 0 87 -3,-0.3 4,-3.2 1,-0.2 -2,-0.2 0.927 108.3 54.4 -63.8 -49.5 -68.3 -29.2 -7.5 451 78 A K H X S+ 0 0 37 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.886 107.5 54.2 -54.8 -34.0 -66.8 -30.6 -4.3 452 79 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.980 112.3 40.6 -64.8 -53.4 -70.3 -32.0 -3.5 453 80 A Y H X S+ 0 0 45 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.960 118.9 48.8 -53.9 -53.2 -70.6 -33.8 -6.9 454 81 A L H X S+ 0 0 36 -4,-3.2 4,-2.7 1,-0.2 3,-0.4 0.945 108.4 50.1 -52.1 -63.3 -66.9 -34.9 -6.7 455 82 A Y H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.841 110.7 51.2 -49.0 -37.8 -67.0 -36.2 -3.2 456 83 A N H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.910 109.8 49.1 -70.4 -38.3 -70.1 -38.3 -3.9 457 84 A E H X S+ 0 0 70 -4,-2.2 4,-2.7 -3,-0.4 5,-0.4 0.912 109.5 53.6 -64.4 -42.4 -68.5 -39.8 -7.0 458 85 A L H X S+ 0 0 26 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.927 106.6 50.1 -58.2 -46.2 -65.4 -40.6 -5.0 459 86 A S H X S+ 0 0 14 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.861 113.7 48.7 -60.1 -35.2 -67.3 -42.5 -2.3 460 87 A L H X S+ 0 0 0 -4,-1.4 4,-1.0 -5,-0.2 -2,-0.2 0.980 118.5 34.3 -68.2 -61.4 -69.0 -44.5 -5.0 461 88 A T H >X S+ 0 0 34 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.926 114.5 55.9 -65.5 -47.2 -66.0 -45.5 -7.0 462 89 A T H >< S+ 0 0 30 -4,-2.8 3,-0.8 -5,-0.4 -1,-0.2 0.886 104.2 52.6 -59.5 -33.8 -63.6 -45.9 -4.2 463 90 A E H >< S+ 0 0 30 -4,-1.2 3,-1.7 -5,-0.3 -1,-0.2 0.832 95.0 74.3 -70.4 -25.4 -65.7 -48.4 -2.3 464 91 A Y H << S+ 0 0 96 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.855 113.5 21.2 -50.7 -41.7 -65.9 -50.4 -5.5 465 92 A Y T << S+ 0 0 172 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 -0.188 89.5 127.4-122.2 41.7 -62.3 -51.6 -5.0 466 93 A Y X - 0 0 69 -3,-1.7 3,-0.7 1,-0.2 4,-0.3 -0.868 42.7-160.7-100.4 109.4 -61.8 -51.0 -1.3 467 94 A P T > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.877 86.6 55.3 -58.4 -43.4 -60.5 -54.3 0.2 468 95 A L T >> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.784 84.6 91.3 -62.4 -23.6 -61.4 -53.6 3.9 469 96 A Q H <> S+ 0 0 44 -3,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.780 85.6 48.1 -39.8 -41.6 -65.0 -53.0 2.8 470 97 A N H <> S+ 0 0 74 -3,-1.1 4,-2.7 -4,-0.3 -1,-0.3 0.918 110.8 47.8 -71.6 -42.6 -65.9 -56.7 3.3 471 98 A A H <> S+ 0 0 1 -3,-0.8 4,-1.8 -4,-0.5 -2,-0.2 0.863 112.6 53.8 -64.2 -33.2 -64.3 -57.0 6.7 472 99 A I H X S+ 0 0 25 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.967 109.6 44.1 -63.7 -55.5 -66.2 -53.7 7.5 473 100 A I H X S+ 0 0 22 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.972 113.7 51.7 -50.5 -61.3 -69.6 -55.0 6.5 474 101 A E H < S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 116.2 42.7 -44.6 -38.9 -68.9 -58.3 8.3 475 102 A F H < S+ 0 0 0 -4,-1.8 3,-0.4 -3,-0.2 -2,-0.2 0.949 113.0 46.5 -77.4 -55.6 -68.0 -56.2 11.4 476 103 A Y H >< S+ 0 0 82 -4,-3.1 2,-3.7 1,-0.3 3,-2.7 0.958 106.6 57.9 -53.9 -56.7 -70.7 -53.5 11.5 477 104 A T T 3< S+ 0 0 15 -4,-2.1 -1,-0.3 1,-0.3 -4,-0.0 -0.262 113.1 43.4 -71.2 56.9 -73.5 -56.0 10.9 478 105 A E T 3 S+ 0 0 61 -2,-3.7 -1,-0.3 -3,-0.4 -2,-0.2 0.234 115.8 41.6-177.6 -2.4 -72.3 -57.7 14.1 479 106 A Y S < S+ 0 0 40 -3,-2.7 -2,-0.2 -4,-0.1 -3,-0.1 0.091 76.0 100.7-146.5 26.9 -71.6 -54.9 16.5 480 107 A Y S S+ 0 0 81 -4,-0.5 -3,-0.1 1,-0.1 -4,-0.1 0.384 82.8 55.1 -96.1 6.7 -74.5 -52.4 16.1 481 108 A K S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 91.1 82.3 -99.0 -42.9 -76.2 -53.7 19.2 482 109 A T > - 0 0 58 1,-0.1 4,-0.6 -4,-0.1 -4,-0.1 -0.287 69.0-148.1 -61.9 144.8 -73.3 -53.2 21.6 483 110 A N H > S+ 0 0 128 2,-0.2 4,-1.4 3,-0.2 5,-0.2 0.697 95.6 61.2 -88.0 -21.7 -72.7 -49.7 23.0 484 111 A S H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.960 117.1 30.8 -65.1 -52.4 -69.0 -50.1 23.2 485 112 A I H > S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.675 118.7 58.3 -80.1 -18.4 -68.8 -50.6 19.5 486 113 A N H < S+ 0 0 40 -4,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.696 107.1 46.8 -84.5 -19.7 -71.9 -48.3 18.9 487 114 A E H >X S+ 0 0 110 -4,-1.4 3,-1.6 -3,-0.2 4,-1.1 0.946 116.9 37.6 -84.1 -58.9 -70.2 -45.3 20.6 488 115 A K H 3X S+ 0 0 98 -4,-1.4 4,-0.9 1,-0.3 -2,-0.1 0.816 109.1 66.1 -64.2 -29.7 -66.8 -45.2 19.0 489 116 A M H 3X S+ 0 0 8 -4,-0.7 4,-1.1 -5,-0.2 -1,-0.3 0.673 104.3 47.4 -63.8 -17.3 -68.4 -46.3 15.7 490 117 A N H <> S+ 0 0 34 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.757 100.3 58.1 -97.8 -28.0 -70.1 -42.9 15.8 491 118 A K H < S+ 0 0 101 -4,-1.1 4,-0.5 1,-0.2 -2,-0.2 0.717 112.7 49.9 -70.3 -15.0 -67.2 -40.6 16.6 492 119 A L H >X S+ 0 0 8 -4,-0.9 4,-1.1 -5,-0.2 3,-0.7 0.895 107.1 48.3 -85.1 -48.0 -66.0 -42.2 13.4 493 120 A E H 3X S+ 0 0 36 -4,-1.1 4,-2.8 1,-0.3 3,-0.3 0.850 104.2 64.5 -61.5 -34.1 -69.1 -41.7 11.3 494 121 A N H 3X S+ 0 0 62 -4,-2.1 4,-2.0 1,-0.3 -1,-0.3 0.852 97.3 55.2 -58.4 -36.3 -69.0 -38.1 12.5 495 122 A K H <> S+ 0 0 65 -3,-0.7 4,-0.8 -4,-0.5 -1,-0.3 0.878 107.4 48.3 -66.7 -36.6 -65.7 -37.7 10.7 496 123 A Y H >X S+ 0 0 27 -4,-1.1 3,-1.1 -3,-0.3 4,-0.7 0.967 111.6 50.7 -65.6 -49.7 -67.3 -38.8 7.4 497 124 A I H >X S+ 0 0 16 -4,-2.8 4,-2.1 1,-0.2 3,-0.8 0.844 97.9 68.3 -56.4 -34.8 -70.2 -36.5 7.9 498 125 A D 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186 E L < 0 0 21 -3,-2.1 -44,-0.1 -4,-0.1 -1,-0.0 -0.918 360.0 360.0-104.7 119.6 -9.3 -62.2 19.7 747 187 E S 0 0 142 -2,-0.6 -47,-0.1 -46,-0.3 -1,-0.1 0.178 360.0 360.0 -86.5 360.0 -6.1 -63.9 18.5