==== 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 1QVT . 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) . 34855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 82.5 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 . 1 0.1 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 . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 463 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 3 0 1 4 4 2 0 3 1 0 3 0 2 7 2 1 0 1 0 2 1 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 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.7 -98.4 -74.9 9.9 2 3 B L >> + 0 0 70 3,-0.1 4,-2.0 2,-0.0 3,-1.2 0.605 360.0 44.4-124.2 -68.1 -95.0 -76.2 8.8 3 4 B K T 34 S+ 0 0 59 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.270 124.3 43.7 -68.1 16.0 -93.7 -74.7 5.5 4 5 B D T 34 S+ 0 0 82 2,-0.1 -1,-0.3 3,-0.1 4,-0.1 0.443 106.1 56.2-132.8 -18.0 -94.9 -71.4 7.1 5 6 B K T <> S+ 0 0 114 -3,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.743 109.2 49.4 -86.6 -25.9 -93.6 -71.8 10.6 6 7 B I H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 3,-0.4 0.966 105.1 56.6 -71.4 -55.7 -90.1 -72.3 9.2 7 8 B L H > S+ 0 0 11 -5,-0.3 4,-0.7 1,-0.3 -1,-0.2 0.649 113.8 43.8 -49.1 -17.0 -90.5 -69.2 7.1 8 9 B G H > S+ 0 0 36 2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.783 109.4 50.5-100.3 -35.8 -91.2 -67.5 10.3 9 10 B V H X S+ 0 0 21 -4,-1.8 4,-1.7 -3,-0.4 -2,-0.2 0.865 112.3 51.4 -69.8 -34.6 -88.5 -68.9 12.6 10 11 B A H >X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 3,-0.5 0.978 105.2 53.7 -63.6 -57.8 -86.0 -68.1 9.9 11 12 B K H 3X S+ 0 0 50 -4,-0.7 4,-2.2 -5,-0.3 5,-0.2 0.901 108.4 51.3 -42.7 -51.2 -87.1 -64.4 9.6 12 13 B E H 3X S+ 0 0 76 -4,-1.8 4,-3.0 1,-0.2 -1,-0.3 0.889 115.1 41.1 -57.2 -43.0 -86.6 -64.0 13.4 13 14 B L H - 0 0 3 1,-0.1 4,-0.8 460,-0.1 -1,-0.2 -0.653 39.0 -81.8-137.3-165.7 -77.4 -62.2 10.6 19 20 B Y T 4 S+ 0 0 2 -2,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.974 126.2 28.5 -68.3 -55.5 -77.6 -64.1 7.4 20 21 B N T 4 S+ 0 0 61 1,-0.2 -1,-0.1 -6,-0.1 -6,-0.0 0.936 112.3 64.4 -72.1 -49.8 -74.6 -66.4 8.0 21 22 B A T 4 S+ 0 0 60 -7,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.790 94.7 72.4 -44.3 -33.1 -74.8 -66.5 11.8 22 23 B T S < S- 0 0 0 -4,-0.8 2,-0.3 -3,-0.2 -1,-0.0 -0.791 74.8-164.5 -91.5 120.9 -78.1 -68.2 11.3 23 24 B T > - 0 0 65 -2,-0.6 4,-2.4 1,-0.1 3,-0.2 -0.815 33.5-124.0-109.9 147.2 -77.8 -71.8 10.2 24 25 B T H > S+ 0 0 71 -2,-0.3 4,-2.0 1,-0.3 -1,-0.1 0.864 116.9 61.3 -51.2 -34.1 -80.3 -74.2 8.7 25 26 B G H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.975 106.4 42.7 -55.2 -56.3 -79.2 -76.4 11.6 26 27 B E H > S+ 0 0 93 -3,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.962 106.6 61.3 -52.7 -59.7 -80.4 -73.8 14.0 27 28 B I H >< S+ 0 0 5 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.847 105.5 50.1 -33.8 -52.6 -83.7 -73.1 12.1 28 29 B V H >X S+ 0 0 36 -4,-2.0 3,-3.2 -3,-0.2 4,-1.6 0.945 99.3 60.7 -57.1 -57.2 -84.6 -76.7 12.7 29 30 B K H 3< S+ 0 0 181 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 115.7 35.8 -46.1 -28.1 -84.0 -77.0 16.5 30 31 B L T << S+ 0 0 108 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.067 125.8 38.8-115.2 24.2 -86.6 -74.3 17.1 31 32 B S T <4 S- 0 0 11 -3,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.218 98.2-132.8-150.9 7.0 -89.0 -75.3 14.3 32 33 B E < + 0 0 145 -4,-1.6 2,-0.3 -5,-0.1 -3,-0.1 0.851 52.5 130.7 29.8 89.4 -88.8 -79.1 14.5 33 34 B S - 0 0 14 -5,-0.1 5,-0.1 -27,-0.0 -1,-0.1 -0.886 59.8-103.8-165.2 129.8 -88.3 -80.4 11.0 34 35 B S >> - 0 0 56 -2,-0.3 3,-1.0 1,-0.1 4,-0.9 -0.116 39.6-110.7 -49.8 149.1 -86.0 -82.9 9.4 35 36 B K T >4 S+ 0 0 161 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.932 118.9 59.1 -48.5 -50.2 -83.3 -81.2 7.3 36 37 B G T >> S+ 0 0 35 1,-0.2 3,-2.5 2,-0.2 4,-1.1 0.809 91.5 68.8 -50.4 -36.6 -84.9 -82.6 4.2 37 38 B N H X> S+ 0 0 71 -3,-1.0 4,-0.7 1,-0.3 3,-0.6 0.938 96.6 52.9 -46.6 -54.8 -88.1 -80.7 5.0 38 39 B L H << S+ 0 0 18 -4,-0.9 -1,-0.3 -3,-0.9 4,-0.3 0.594 105.1 62.8 -58.5 -11.8 -86.4 -77.5 4.3 39 40 B Y H <4 S+ 0 0 141 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.891 92.4 53.3 -86.0 -44.4 -85.3 -78.9 0.9 40 41 B Y H << S+ 0 0 177 -4,-1.1 -2,-0.1 -3,-0.6 -3,-0.1 0.983 125.5 21.9 -56.6 -64.5 -88.5 -79.6 -1.0 41 42 B H S < S+ 0 0 97 -4,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.776 131.9 46.4 -76.1 -27.0 -90.1 -76.1 -0.8 42 43 B F - 0 0 6 -5,-0.4 -1,-0.2 -4,-0.3 6,-0.0 -0.961 66.8-178.8-117.4 111.7 -86.8 -74.4 -0.1 43 44 B K + 0 0 107 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.949 66.3 10.0 -72.2 -86.0 -84.0 -75.5 -2.4 44 45 B T S >> S- 0 0 63 1,-0.1 4,-1.3 2,-0.0 3,-0.5 -0.213 80.2-109.4 -84.1 178.3 -80.8 -73.5 -1.3 45 46 B K H 3> S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.807 123.9 57.9 -77.8 -30.5 -80.5 -71.4 1.8 46 47 B E H 3> S+ 0 0 16 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.407 102.7 59.4 -76.5 4.3 -80.5 -68.4 -0.4 47 48 B N H <> S+ 0 0 44 -3,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.851 103.8 44.5 -94.7 -52.0 -83.8 -69.8 -1.4 48 49 B L H X S+ 0 0 10 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.853 122.3 41.8 -60.4 -34.9 -85.4 -69.7 2.0 49 50 B F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.968 110.9 50.9 -77.5 -55.6 -84.0 -66.2 2.5 50 51 B L H X S+ 0 0 19 -4,-0.8 4,-0.9 1,-0.2 -2,-0.2 0.721 112.6 56.3 -54.2 -16.3 -84.7 -64.9 -1.0 51 52 B E H >X S+ 0 0 51 -4,-1.1 4,-1.6 2,-0.2 3,-1.0 0.978 102.1 48.5 -76.1 -67.9 -88.1 -66.2 -0.1 52 53 B I H 3X S+ 0 0 2 -4,-2.1 4,-3.1 1,-0.3 5,-0.2 0.861 106.6 59.5 -40.3 -49.1 -88.7 -64.3 3.2 53 54 B L H 3X S+ 0 0 0 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.927 104.3 50.2 -49.7 -49.8 -87.7 -61.1 1.4 54 55 B N H X S+ 0 0 4 -4,-2.5 4,-1.3 1,-0.2 3,-1.2 0.896 108.1 48.6 -63.3 -44.2 -98.5 -49.1 2.5 65 66 B K H 3< S+ 0 0 109 -4,-1.2 4,-0.4 1,-0.3 3,-0.4 0.895 109.9 49.6 -67.0 -40.1 -101.5 -49.3 0.2 66 67 B K T 3< S+ 0 0 143 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.246 121.4 41.5 -80.1 16.9 -104.0 -49.8 3.0 67 68 B E T X4 S+ 0 0 63 -3,-1.2 3,-0.8 -5,-0.2 -2,-0.2 0.494 92.0 75.4-139.2 -12.3 -102.3 -46.7 4.5 68 69 B Q G >< S+ 0 0 44 -4,-1.3 3,-2.1 -3,-0.4 -3,-0.1 0.550 74.4 84.1 -83.8 -6.1 -101.6 -44.2 1.7 69 70 B I G 3 S+ 0 0 137 -4,-0.4 -1,-0.2 1,-0.3 -3,-0.1 0.805 77.5 70.0 -64.4 -26.7 -105.2 -43.2 1.6 70 71 B K G < S+ 0 0 157 -3,-0.8 2,-0.6 1,-0.1 -1,-0.3 0.566 89.2 77.1 -68.0 -4.6 -104.3 -40.9 4.5 71 72 B C < - 0 0 6 -3,-2.1 -1,-0.1 1,-0.2 6,-0.1 -0.926 59.4-174.1-113.0 114.8 -102.3 -38.9 1.8 72 73 B K S S+ 0 0 146 -2,-0.6 2,-0.2 4,-0.0 -1,-0.2 0.907 71.5 37.3 -70.7 -47.9 -104.4 -36.7 -0.5 73 74 B T S > S- 0 0 47 1,-0.1 4,-1.9 65,-0.0 60,-0.1 -0.595 82.4-119.6-102.2 168.0 -101.6 -35.7 -2.9 74 75 B N H > S+ 0 0 10 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.875 115.6 60.9 -73.7 -38.1 -98.6 -37.7 -4.2 75 76 B R H > S+ 0 0 109 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 108.6 45.4 -53.2 -39.6 -96.3 -35.2 -2.6 76 77 B E H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.931 111.5 52.0 -70.1 -43.4 -98.0 -36.3 0.6 77 78 B K H X S+ 0 0 32 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.934 109.3 49.4 -57.4 -49.1 -97.7 -39.9 -0.4 78 79 B F H >X S+ 0 0 1 -4,-3.9 4,-1.8 1,-0.2 3,-0.8 0.985 112.4 47.8 -50.2 -67.7 -94.0 -39.6 -1.1 79 80 B Y H 3X S+ 0 0 35 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.786 114.0 48.1 -39.7 -44.4 -93.4 -37.9 2.3 80 81 B L H 3X S+ 0 0 39 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.831 104.7 55.9 -73.2 -37.0 -95.5 -40.6 4.1 81 82 B Y H X S+ 0 0 53 -4,-1.3 3,-2.4 -5,-0.3 4,-0.7 0.991 114.8 45.7 -68.2 -58.8 -91.8 -41.8 7.3 84 85 B L H >X S+ 0 0 29 -4,-3.0 4,-2.5 1,-0.3 3,-1.4 0.836 100.7 71.3 -51.8 -32.2 -93.7 -45.1 7.5 85 86 B S H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.832 97.6 50.8 -51.7 -35.3 -90.5 -46.7 6.1 86 87 B L H << S+ 0 0 14 -3,-2.4 -1,-0.3 -4,-0.7 -2,-0.2 0.697 117.2 36.3 -77.0 -22.7 -88.9 -45.9 9.5 87 88 B T H << S+ 0 0 86 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.1 0.750 85.6 106.0-106.3 -27.5 -91.7 -47.5 11.6 88 89 B T < - 0 0 18 -4,-2.5 -28,-0.0 1,-0.1 -3,-0.0 0.198 60.9-141.9 -43.2 172.8 -92.9 -50.6 9.7 89 90 B E S S+ 0 0 99 -33,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.184 73.5 96.8-121.7 8.6 -92.0 -54.1 11.0 90 91 B Y S S- 0 0 52 -31,-0.1 2,-2.4 2,-0.1 4,-0.1 -0.696 93.2 -30.1-106.9 155.0 -91.7 -55.3 7.4 91 92 B Y S > S+ 0 0 9 -2,-0.3 3,-3.0 1,-0.3 4,-0.2 -0.149 118.6 71.1 47.1 -69.6 -88.8 -55.7 4.9 92 93 B Y G > S+ 0 0 15 -2,-2.4 3,-1.8 1,-0.3 4,-0.3 0.753 85.4 65.8 -46.3 -35.3 -86.6 -52.9 6.2 93 94 B P G 3 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.632 102.3 53.4 -66.4 -6.0 -85.7 -54.8 9.4 94 95 B L G <> S+ 0 0 1 -3,-3.0 4,-1.9 1,-0.1 -2,-0.2 0.353 74.0 100.5-107.5 5.1 -83.9 -57.2 7.0 95 96 B Q H <> S+ 0 0 3 -3,-1.8 4,-2.5 1,-0.2 -1,-0.1 0.848 82.0 55.2 -57.2 -36.1 -81.8 -54.7 5.1 96 97 B N H > S+ 0 0 33 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.972 108.2 44.1 -61.3 -58.8 -78.8 -55.7 7.2 97 98 B A H > S+ 0 0 3 -4,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.813 112.2 56.3 -57.9 -30.0 -79.0 -59.4 6.5 98 99 B I H X S+ 0 0 9 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.967 105.0 50.6 -65.7 -50.8 -79.5 -58.4 2.9 99 100 B I H X S+ 0 0 16 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.914 116.2 42.1 -49.9 -49.3 -76.3 -56.4 2.8 100 101 B E H >X S+ 0 0 12 -4,-2.2 4,-1.5 1,-0.2 3,-1.0 0.970 112.3 53.1 -63.0 -57.3 -74.4 -59.4 4.3 101 102 B F H 3< S+ 0 0 0 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.849 107.0 52.4 -48.8 -41.5 -76.2 -62.0 2.1 102 103 B Y H >X S+ 0 0 25 -4,-2.8 3,-1.0 1,-0.2 4,-0.9 0.829 106.0 53.5 -69.1 -29.0 -75.3 -60.1 -1.1 103 104 B T H << S+ 0 0 33 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.791 110.0 49.4 -73.5 -26.1 -71.6 -60.0 -0.1 104 105 B E T 3< S+ 0 0 88 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 -0.012 123.3 28.0-101.6 27.9 -71.6 -63.8 0.3 105 106 B Y T X4 S+ 0 0 58 -3,-1.0 3,-1.4 -5,-0.1 6,-0.3 0.302 81.8 102.1-165.3 5.1 -73.3 -64.5 -3.0 106 107 B Y T 3< S+ 0 0 95 -4,-0.9 6,-0.2 1,-0.3 -3,-0.1 0.752 78.6 66.8 -70.5 -19.6 -72.4 -61.8 -5.5 107 108 B K T 3 S+ 0 0 167 -4,-0.2 -1,-0.3 -5,-0.1 2,-0.2 0.517 93.3 70.2 -77.5 -7.9 -69.9 -64.2 -7.0 108 109 B T S < S- 0 0 52 -3,-1.4 4,-0.4 1,-0.1 -3,-0.1 -0.561 80.9-131.6-101.1 171.9 -72.7 -66.5 -8.2 109 110 B N S >> S+ 0 0 129 -2,-0.2 4,-0.8 2,-0.1 3,-0.6 0.881 94.9 65.8 -95.6 -42.7 -75.1 -65.6 -11.0 110 111 B S H 3> S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 5,-0.3 0.608 96.2 70.6 -56.1 -8.3 -78.7 -66.3 -9.9 111 112 B I H 3> S+ 0 0 1 -6,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.966 89.2 51.6 -73.4 -58.8 -77.9 -63.5 -7.4 112 113 B N H <4 S+ 0 0 55 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.742 114.2 47.4 -53.6 -27.0 -77.9 -60.4 -9.7 113 114 B E H >X S+ 0 0 100 -4,-0.8 3,-1.9 3,-0.1 4,-1.8 0.976 116.9 35.2 -80.1 -68.3 -81.3 -61.4 -11.1 114 115 B K H >X S+ 0 0 83 -4,-1.3 4,-2.5 1,-0.3 3,-0.5 0.919 115.6 59.7 -50.8 -43.9 -83.5 -62.2 -8.1 115 116 B M H 3< S+ 0 0 21 -4,-2.7 -1,-0.3 -5,-0.3 423,-0.2 0.094 117.2 33.3 -72.5 24.3 -81.6 -59.4 -6.4 116 117 B N H <4 S+ 0 0 64 -3,-1.9 4,-0.5 422,-0.1 -2,-0.3 0.316 109.2 61.5-152.3 -18.2 -83.0 -57.2 -9.2 117 118 B K H X< S+ 0 0 113 -4,-1.8 3,-0.9 -3,-0.5 4,-0.4 0.896 110.7 44.3 -78.9 -43.3 -86.3 -58.8 -9.9 118 119 B L T >X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 3,-0.9 0.739 101.5 69.7 -69.7 -24.1 -87.2 -58.0 -6.3 119 120 B E H 3> S+ 0 0 10 -5,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.791 90.9 61.0 -65.4 -25.5 -85.7 -54.5 -6.9 120 121 B N H <4 S+ 0 0 83 -3,-0.9 4,-0.4 -4,-0.5 -1,-0.3 0.772 106.1 45.4 -71.2 -25.9 -88.6 -53.8 -9.2 121 122 B K H X> S+ 0 0 50 -3,-0.9 3,-1.3 -4,-0.4 4,-0.7 0.946 108.7 57.5 -75.6 -54.9 -91.0 -54.3 -6.2 122 123 B Y H 3< S+ 0 0 7 -4,-2.1 4,-0.3 1,-0.3 -2,-0.2 0.808 116.3 34.1 -41.0 -46.3 -88.8 -52.1 -4.0 123 124 B I T 3X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.1 3,-0.3 0.540 93.6 92.9 -94.0 -9.2 -89.0 -49.2 -6.3 124 125 B D H X> S+ 0 0 65 -3,-1.3 4,-2.6 -4,-0.4 3,-1.0 0.952 81.6 54.2 -49.3 -62.0 -92.6 -49.7 -7.5 125 126 B A H 3X S+ 0 0 3 -4,-0.7 4,-3.1 1,-0.3 -1,-0.2 0.851 111.1 47.2 -40.8 -45.3 -94.2 -47.5 -4.9 126 127 B Y H 3> S+ 0 0 3 -3,-0.3 4,-3.0 -4,-0.3 -1,-0.3 0.866 109.5 53.5 -68.0 -34.7 -91.9 -44.6 -6.0 127 128 B H H X S+ 0 0 114 -4,-3.4 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0 44 1,-0.1 4,-1.3 65,-0.0 60,-0.1 -0.264 82.8-120.3 -81.8 172.4 -0.8 -41.6 21.2 261 75 D N H > S+ 0 0 11 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.807 112.5 65.7 -82.5 -31.6 -4.5 -42.1 20.3 262 76 D R H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 108.4 45.2 -54.7 -32.7 -4.5 -45.8 21.1 263 77 D E H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.887 107.8 53.5 -76.8 -42.9 -3.9 -44.3 24.6 264 78 D K H X S+ 0 0 27 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.883 109.0 51.7 -61.7 -34.8 -6.6 -41.6 24.4 265 79 D F H X S+ 0 0 1 -4,-3.1 4,-2.2 2,-0.2 5,-0.3 0.985 111.8 44.8 -63.6 -56.8 -9.0 -44.4 23.5 266 80 D Y H X S+ 0 0 39 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.890 117.7 46.4 -51.0 -46.3 -8.1 -46.5 26.5 267 81 D L H X S+ 0 0 38 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.913 108.5 51.9 -68.0 -46.6 -8.1 -43.4 28.7 268 82 D Y H X S+ 0 0 6 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.963 112.8 46.5 -55.0 -52.6 -11.5 -41.9 27.6 269 83 D N H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 3,-0.3 0.919 112.1 52.0 -53.4 -48.9 -13.2 -45.3 28.1 270 84 D E H >< S+ 0 0 58 -4,-1.9 3,-0.9 -5,-0.3 4,-0.5 0.906 108.6 49.2 -55.1 -48.5 -11.6 -45.6 31.5 271 85 D L H >X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 3,-1.3 0.790 96.4 71.7 -65.2 -29.0 -12.6 -42.2 32.7 272 86 D S H 3< S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 96.6 51.9 -56.3 -35.5 -16.2 -42.8 31.6 273 87 D L T << S+ 0 0 14 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.715 119.2 35.2 -74.0 -21.0 -16.6 -45.2 34.5 274 88 D T T <4 S+ 0 0 84 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.606 88.1 102.7-113.2 -12.5 -15.3 -42.6 37.0 275 89 D T < - 0 0 18 -4,-2.3 -28,-0.1 1,-0.1 -3,-0.0 -0.166 61.0-141.6 -67.2 165.2 -16.4 -39.1 36.0 276 90 D E S S+ 0 0 116 3,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.458 73.7 93.9-104.4 -1.8 -19.3 -37.4 37.8 277 91 D Y S S- 0 0 38 -31,-0.1 2,-2.3 2,-0.1 -2,-0.1 -0.700 93.3 -32.6-103.1 143.6 -20.6 -36.0 34.6 278 92 D Y S > S+ 0 0 12 -2,-0.3 3,-2.9 1,-0.2 4,-0.5 -0.286 111.1 77.9 62.9 -72.1 -23.2 -37.1 32.0 279 93 D Y G > S+ 0 0 10 -2,-2.3 3,-1.1 1,-0.3 4,-0.3 0.751 89.6 60.0 -42.6 -31.1 -22.9 -40.9 32.1 280 94 D P G 3 S+ 0 0 56 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.785 98.1 58.2 -72.3 -23.2 -25.0 -41.0 35.3 281 95 D L G <> S+ 0 0 1 -3,-2.9 4,-3.1 1,-0.2 3,-0.4 0.502 77.6 102.6 -81.0 -3.2 -27.9 -39.3 33.5 282 96 D Q H <> S+ 0 0 6 -3,-1.1 4,-3.2 -4,-0.5 -1,-0.2 0.889 75.0 53.3 -46.7 -53.4 -28.0 -42.1 31.0 283 97 D N H > S+ 0 0 26 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.929 114.5 42.6 -51.4 -47.5 -31.0 -43.9 32.5 284 98 D A H > S+ 0 0 1 -3,-0.4 4,-3.2 -4,-0.3 5,-0.3 0.933 111.2 55.0 -64.4 -45.9 -33.0 -40.6 32.3 285 99 D I H X S+ 0 0 18 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.917 105.4 54.6 -54.2 -44.3 -31.7 -39.8 28.9 286 100 D I H X S+ 0 0 28 -4,-3.2 4,-2.1 -5,-0.2 3,-0.4 0.978 113.7 39.6 -50.3 -67.9 -33.0 -43.2 27.7 287 101 D E H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.905 114.8 52.3 -46.1 -57.7 -36.5 -42.5 28.9 288 102 D F H < S+ 0 0 0 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.892 111.0 48.5 -50.0 -44.5 -36.5 -38.9 27.9 289 103 D Y H >X S+ 0 0 26 -4,-2.8 4,-1.9 -3,-0.4 3,-1.1 0.874 106.9 52.6 -68.3 -39.3 -35.5 -39.8 24.3 290 104 D T H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 112.0 50.3 -66.5 -25.5 -38.0 -42.6 23.8 291 105 D E T 3< S+ 0 0 82 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.475 122.1 27.4 -91.0 -2.1 -40.6 -40.0 24.8 292 106 D Y T <4 S+ 0 0 46 -3,-1.1 7,-0.5 -4,-0.3 -2,-0.2 0.487 82.1 96.1-138.3 -2.7 -39.5 -37.3 22.5 293 107 D Y S < S+ 0 0 93 -4,-1.9 -3,-0.1 1,-0.2 6,-0.1 0.812 87.0 65.8 -59.4 -23.1 -37.8 -38.6 19.3 294 108 D K S S+ 0 0 141 -5,-0.2 2,-0.7 -4,-0.2 -1,-0.2 0.994 83.8 68.9 -57.3 -76.4 -41.3 -38.2 17.9 295 109 D T S >> S- 0 0 71 -4,-0.2 4,-1.5 1,-0.2 3,-0.8 -0.270 80.6-147.5 -51.3 96.1 -41.7 -34.4 18.1 296 110 D N H 3> S+ 0 0 112 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.707 88.6 66.3 -39.4 -33.0 -39.1 -33.4 15.4 297 111 D S H 3> S+ 0 0 69 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.972 105.5 36.5 -57.8 -61.1 -38.2 -30.3 17.3 298 112 D I H <> S+ 0 0 15 -3,-0.8 4,-2.2 1,-0.2 3,-0.4 0.869 108.4 67.0 -62.0 -38.5 -36.6 -31.8 20.4 299 113 D N H X S+ 0 0 33 -4,-1.5 4,-1.5 -7,-0.5 -1,-0.2 0.928 96.9 53.9 -47.5 -54.3 -35.1 -34.6 18.3 300 114 D E H X S+ 0 0 114 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.867 108.3 49.5 -48.7 -45.7 -32.8 -32.2 16.5 301 115 D K H X S+ 0 0 96 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.911 109.8 50.0 -62.9 -44.1 -31.4 -30.8 19.8 302 116 D M H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.721 109.2 54.7 -67.0 -20.7 -30.8 -34.3 21.1 303 117 D N H X S+ 0 0 67 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.910 104.5 52.1 -76.4 -45.4 -29.0 -34.9 17.9 304 118 D K H >X S+ 0 0 111 -4,-2.2 4,-1.4 2,-0.2 3,-1.3 0.979 116.0 41.2 -51.5 -60.7 -26.8 -31.9 18.4 305 119 D L H >X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.3 3,-1.3 0.952 111.8 52.9 -51.5 -60.8 -25.8 -33.2 21.8 306 120 D E H 3< S+ 0 0 51 -4,-2.5 -1,-0.3 1,-0.3 4,-0.2 0.644 105.8 58.7 -55.0 -11.7 -25.5 -36.9 20.8 307 121 D N H XX S+ 0 0 101 -3,-1.3 4,-0.8 -4,-1.0 3,-0.5 0.864 106.5 45.2 -84.0 -38.0 -23.1 -35.5 18.1 308 122 D K H XX S+ 0 0 75 -4,-1.4 3,-3.0 -3,-1.3 4,-0.8 0.996 107.3 58.9 -61.5 -63.2 -20.8 -34.0 20.8 309 123 D Y H 3< S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.611 114.2 38.0 -40.9 -20.2 -21.0 -37.2 22.9 310 124 D I H <> S+ 0 0 18 -3,-0.5 4,-1.9 -5,-0.3 -1,-0.3 0.519 94.4 85.3-112.2 -8.9 -19.6 -39.1 19.9 311 125 D D H S+ 0 0 3 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.926 111.2 53.1 -64.7 -43.8 -14.3 -41.0 19.4 314 128 D H H X S+ 0 0 56 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.958 112.9 46.3 -53.1 -52.6 -14.4 -39.4 15.9 315 129 D V H X>S+ 0 0 53 -4,-3.4 4,-2.0 2,-0.2 5,-0.6 0.973 113.8 45.9 -50.8 -68.2 -11.4 -37.3 16.8 316 130 D I H X5S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 118.2 43.5 -43.6 -56.1 -9.4 -40.1 18.4 317 131 D F H X5S+ 0 0 0 -4,-3.3 4,-1.2 -5,-0.2 -1,-0.2 0.881 115.4 50.2 -61.7 -38.1 -10.2 -42.4 15.4 318 132 D K H >X5S+ 0 0 101 -4,-3.3 3,-2.2 -5,-0.3 4,-1.8 0.998 115.0 38.3 -61.1 -73.0 -9.5 -39.6 12.9 319 133 D E H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 108.4 67.3 -46.7 -39.2 -6.2 -38.4 14.1 320 134 D G H > + 0 0 55 1,-0.2 4,-1.5 2,-0.1 -1,-0.2 -0.787 60.0 169.3 -96.5 96.2 -15.8 -45.3 8.2 331 145 D V H > S+ 0 0 17 -2,-1.0 4,-4.9 -3,-0.2 5,-0.3 0.942 78.8 57.6 -69.3 -45.6 -14.7 -43.4 11.3 332 146 D N H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.904 104.3 50.2 -50.6 -50.4 -18.4 -42.4 11.9 333 147 D A H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.955 119.5 38.1 -54.3 -50.6 -19.5 -46.1 12.1 334 148 D V H X S+ 0 0 0 -4,-1.5 4,-3.3 1,-0.2 5,-0.3 0.948 111.0 57.1 -66.6 -49.6 -16.8 -46.9 14.5 335 149 D S H X S+ 0 0 2 -4,-4.9 4,-1.0 1,-0.2 -1,-0.2 0.756 115.3 42.0 -54.2 -21.0 -17.0 -43.6 16.4 336 150 D K H X S+ 0 0 64 -4,-1.5 4,-1.7 -3,-0.3 -2,-0.2 0.869 112.8 48.7 -93.3 -44.7 -20.7 -44.7 16.9 337 151 D I H X S+ 0 0 1 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.956 115.0 49.3 -58.0 -48.1 -20.2 -48.3 17.7 338 152 D A H >X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 3,-0.6 0.977 108.5 47.7 -52.2 -72.2 -17.5 -47.3 20.2 339 153 D A H 3X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.3 -1,-0.2 0.763 118.3 45.4 -43.9 -31.1 -19.4 -44.7 22.1 340 154 D N H 3X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.853 112.2 47.0 -85.2 -37.5 -22.3 -47.1 22.3 341 155 D A H < S+ 0 0 11 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.898 118.1 43.2 -50.2 -46.0 -20.4 -48.0 31.9 347 161 D T H 3< S+ 0 0 18 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.2 0.784 113.9 45.1 -75.6 -32.6 -24.2 -48.2 32.2 348 162 D F T 3< S+ 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.075 108.8 53.3-105.4 27.3 -24.9 -51.9 32.8 349 163 D T X + 0 0 2 -3,-0.6 3,-0.6 -4,-0.4 -1,-0.2 0.104 61.6 124.6-138.1 15.6 -22.2 -52.7 35.4 350 164 D H T 3 + 0 0 114 -3,-0.4 4,-0.1 1,-0.2 -2,-0.1 0.588 69.3 68.5 -53.9 -9.3 -23.1 -49.9 37.9 351 165 D E T 3 S+ 0 0 43 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.941 88.7 54.0 -79.2 -56.7 -23.4 -52.8 40.4 352 166 D Q S < S- 0 0 63 -3,-0.6 2,-0.2 1,-0.2 -3,-0.1 0.034 100.0 -48.1 -79.0-174.3 -20.0 -54.3 41.1 353 167 D N >> - 0 0 85 1,-0.2 4,-2.1 4,-0.0 3,-1.4 -0.335 43.5-136.3 -56.7 118.6 -16.6 -53.1 42.2 354 168 D I H 3> S+ 0 0 66 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.647 105.8 61.0 -54.6 -13.7 -15.4 -50.0 40.3 355 169 D N H 3> S+ 0 0 114 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.878 103.6 46.3 -80.2 -40.1 -12.1 -51.7 40.1 356 170 D E H <> S+ 0 0 56 -3,-1.4 4,-2.7 2,-0.2 5,-0.3 0.888 111.0 55.5 -67.2 -36.4 -13.5 -54.6 38.2 357 171 D R H X S+ 0 0 19 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.960 107.1 47.2 -59.2 -52.9 -15.3 -52.1 36.0 358 172 D I H X S+ 0 0 33 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.844 113.5 52.7 -57.9 -32.7 -12.1 -50.3 35.1 359 173 D K H X S+ 0 0 144 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.955 111.4 40.0 -71.3 -51.6 -10.5 -53.7 34.4 360 174 D L H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.902 111.5 60.3 -63.1 -40.8 -13.1 -55.1 32.0 361 175 D M H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.873 108.5 44.2 -55.3 -35.6 -13.4 -51.7 30.4 362 176 D N H X S+ 0 0 44 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.895 107.5 55.6 -77.7 -38.9 -9.7 -52.0 29.6 363 177 D K H X S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.891 114.0 45.5 -59.4 -33.4 -10.0 -55.6 28.4 364 178 D F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.4 0.978 105.3 56.3 -69.6 -58.3 -12.6 -54.2 26.0 365 179 D S H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.739 115.1 43.6 -46.4 -25.4 -10.6 -51.1 24.9 366 180 D Q H X S+ 0 0 72 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.954 111.7 47.2 -84.2 -63.9 -7.9 -53.6 23.9 367 181 D I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.926 118.5 46.1 -41.4 -54.4 -10.0 -56.3 22.2 368 182 D F H X S+ 0 0 0 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.943 111.0 49.8 -57.3 -54.1 -11.7 -53.5 20.3 369 183 D L H < S+ 0 0 12 -4,-1.2 3,-0.5 -5,-0.4 -1,-0.2 0.847 111.9 49.3 -56.8 -36.0 -8.6 -51.6 19.4 370 184 D N H >< S+ 0 0 73 -4,-3.1 3,-2.2 1,-0.2 -1,-0.2 0.973 102.4 61.3 -67.4 -51.2 -6.9 -54.7 18.1 371 185 D G H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.712 85.5 80.0 -46.2 -23.7 -10.0 -55.6 16.0 372 186 D L T 3< 0 0 16 -4,-0.9 -45,-0.5 -3,-0.5 -1,-0.3 0.509 360.0 360.0 -66.8 -2.1 -9.5 -52.3 14.1 373 187 D S < 0 0 112 -3,-2.2 -2,-0.2 368,-0.1 -1,-0.2 0.450 360.0 360.0-160.9 360.0 -6.7 -53.9 12.0 374 !* 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 0 140 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -57.5 -44.4 -49.1 16.0 376 3 A L H > + 0 0 60 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.883 360.0 50.9 -56.9 -31.2 -44.7 -52.6 17.3 377 4 A K H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 111.4 46.3 -66.6 -46.1 -48.3 -51.3 17.9 378 5 A D H > S+ 0 0 91 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.780 107.4 56.1 -66.8 -30.3 -48.4 -50.2 14.3 379 6 A K H X S+ 0 0 94 -4,-3.2 4,-3.1 2,-0.2 -1,-0.2 0.870 108.9 48.6 -69.6 -35.2 -46.9 -53.5 13.0 380 7 A I H X S+ 0 0 0 -4,-1.6 4,-3.4 -5,-0.3 5,-0.2 0.928 113.3 46.0 -69.0 -45.6 -49.8 -55.2 14.8 381 8 A L H X S+ 0 0 14 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.976 115.3 48.0 -59.2 -53.5 -52.3 -52.8 13.2 382 9 A G H X S+ 0 0 39 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.948 116.7 41.5 -48.7 -58.9 -50.6 -53.2 9.8 383 10 A V H X S+ 0 0 20 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.906 114.7 51.6 -58.5 -44.9 -50.6 -57.0 10.1 384 11 A A H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 -1,-0.2 0.914 104.6 56.7 -61.8 -42.3 -54.1 -57.2 11.5 385 12 A K H X S+ 0 0 50 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.947 111.7 42.8 -53.8 -50.4 -55.4 -55.0 8.6 386 13 A E H X S+ 0 0 115 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.913 111.5 53.1 -61.6 -47.4 -54.1 -57.5 6.1 387 14 A L H X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.948 111.2 48.5 -54.2 -45.8 -55.2 -60.5 8.0 388 15 A F H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.917 109.4 52.2 -60.8 -45.3 -58.7 -59.0 8.1 389 16 A I H < S+ 0 0 53 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 115.1 40.7 -59.1 -42.1 -58.6 -58.2 4.4 390 17 A K H < S+ 0 0 172 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.907 132.5 17.1 -77.5 -42.9 -57.7 -61.8 3.4 391 18 A N H < S- 0 0 56 -4,-2.5 4,-0.4 1,-0.3 -3,-0.2 0.396 102.4-125.7-112.6 3.6 -59.8 -63.9 5.7 392 19 A G X - 0 0 12 -4,-2.0 4,-1.0 -5,-0.4 -1,-0.3 -0.209 37.2 -65.6 81.0-176.6 -62.4 -61.4 6.9 393 20 A Y T >4 S+ 0 0 6 2,-0.2 3,-1.2 1,-0.2 78,-0.1 0.992 123.9 44.8 -75.8 -75.6 -63.2 -60.5 10.5 394 21 A N T 34 S+ 0 0 68 1,-0.3 -1,-0.2 77,-0.1 -2,-0.1 0.732 115.4 54.2 -44.6 -27.3 -64.8 -63.4 12.3 395 22 A A T 34 S+ 0 0 56 -4,-0.4 -1,-0.3 -7,-0.1 -2,-0.2 0.865 86.5 87.8 -80.4 -38.0 -62.1 -65.7 10.8 396 23 A T << - 0 0 0 -3,-1.2 2,-0.3 -4,-1.0 -8,-0.0 -0.379 65.7-152.9 -63.6 138.5 -58.9 -63.8 11.8 397 24 A T > - 0 0 69 1,-0.1 4,-2.1 -2,-0.1 3,-0.3 -0.873 23.1-128.6-115.1 148.1 -57.6 -64.9 15.3 398 25 A T H > S+ 0 0 57 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.785 110.0 65.9 -65.0 -22.6 -55.6 -62.8 17.7 399 26 A G H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.964 103.6 43.3 -60.0 -50.6 -53.2 -65.7 17.8 400 27 A E H > S+ 0 0 74 -3,-0.3 4,-2.7 1,-0.2 5,-0.4 0.934 113.1 52.1 -58.3 -49.6 -52.3 -65.2 14.1 401 28 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.884 110.8 50.1 -56.0 -38.3 -52.1 -61.5 14.7 402 29 A V H X>S+ 0 0 20 -4,-2.7 5,-2.4 -5,-0.2 4,-0.6 0.989 116.6 37.0 -65.7 -58.4 -49.7 -62.2 17.6 403 30 A K H ><5S+ 0 0 162 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.954 116.1 50.7 -60.1 -54.3 -47.3 -64.5 15.7 404 31 A L H 3<5S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.764 116.4 42.0 -58.7 -24.9 -47.3 -62.7 12.3 405 32 A S H 3<5S- 0 0 2 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.467 109.2-126.3-100.5 1.0 -46.6 -59.4 14.0 406 33 A E T <<5S+ 0 0 128 -3,-1.7 -3,-0.2 -4,-0.6 -2,-0.1 0.901 73.0 109.1 57.0 47.5 -44.1 -61.0 16.3 407 34 A S < - 0 0 6 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.1 0.123 61.9-106.9-118.1-126.0 -45.7 -59.6 19.4 408 35 A S > - 0 0 23 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.988 23.3-105.5-168.5 162.1 -47.7 -61.3 22.2 409 36 A K H > S+ 0 0 173 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.944 120.5 53.1 -58.9 -44.7 -51.1 -61.8 23.7 410 37 A G H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 109.6 43.9 -56.9 -50.2 -50.0 -59.5 26.5 411 38 A N H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 113.8 51.3 -64.7 -39.7 -48.9 -56.6 24.3 412 39 A L H X>S+ 0 0 9 -4,-2.3 4,-2.0 1,-0.2 5,-0.6 0.900 110.6 50.0 -64.6 -38.6 -52.0 -57.0 22.1 413 40 A Y H X5S+ 0 0 25 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.898 108.5 51.8 -65.6 -43.9 -54.1 -56.9 25.2 414 41 A Y H <5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.3 41.6 -64.7 -28.7 -52.4 -53.8 26.5 415 42 A H H <5S+ 0 0 55 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.794 138.3 1.8 -90.7 -29.9 -53.0 -51.9 23.3 416 43 A F H <5S- 0 0 2 -4,-2.0 2,-3.0 -5,-0.2 5,-0.2 0.538 71.9-147.7-135.4 -12.1 -56.5 -52.9 22.3 417 44 A K S < S- 0 0 55 -2,-3.0 4,-2.6 1,-0.1 3,-0.4 -0.925 78.8-113.1-138.3 163.2 -60.0 -57.0 22.4 419 46 A K H > S+ 0 0 37 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.891 117.6 55.9 -57.1 -41.5 -60.2 -58.0 18.8 420 47 A E H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 109.8 44.1 -62.1 -36.1 -63.2 -55.8 18.4 421 48 A N H > S+ 0 0 52 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.887 110.5 55.0 -77.5 -36.2 -61.3 -52.8 19.6 422 49 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.971 110.9 46.3 -56.3 -52.4 -58.3 -53.7 17.5 423 50 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.912 110.8 51.3 -57.2 -45.3 -60.5 -53.7 14.5 424 51 A L H X S+ 0 0 6 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.896 106.9 55.1 -60.2 -39.1 -62.2 -50.4 15.5 425 52 A E H X S+ 0 0 58 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.927 107.7 49.1 -59.7 -45.3 -58.7 -48.9 15.9 426 53 A I H X S+ 0 0 4 -4,-2.1 4,-3.3 1,-0.2 3,-0.3 0.966 107.8 53.8 -56.4 -54.8 -57.9 -49.9 12.3 427 54 A L H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.827 107.7 52.2 -50.0 -34.3 -61.2 -48.4 11.0 428 55 A N H X S+ 0 0 44 -4,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.931 109.1 47.8 -69.3 -43.7 -60.1 -45.2 12.7 429 56 A I H X S+ 0 0 58 -4,-2.2 4,-2.4 -3,-0.3 -2,-0.2 0.961 111.9 51.3 -59.4 -50.1 -56.8 -45.2 11.0 430 57 A E H X S+ 0 0 22 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.923 107.0 53.8 -51.9 -48.0 -58.6 -45.9 7.7 431 58 A E H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.934 109.2 48.0 -53.7 -49.1 -60.9 -43.0 8.4 432 59 A S H X S+ 0 0 57 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.900 109.9 51.2 -59.6 -44.2 -57.9 -40.6 8.8 433 60 A K H X S+ 0 0 107 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.953 110.4 51.3 -57.4 -47.8 -56.2 -41.9 5.7 434 61 A W H X S+ 0 0 49 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.912 111.0 46.6 -55.9 -46.6 -59.5 -41.2 3.9 435 62 A Q H X S+ 0 0 80 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.967 111.1 51.2 -60.9 -51.9 -59.7 -37.7 5.2 436 63 A E H X S+ 0 0 107 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.922 112.2 48.5 -50.6 -45.3 -56.1 -37.0 4.3 437 64 A Q H X S+ 0 0 110 -4,-3.1 4,-3.2 -5,-0.2 3,-0.5 0.945 111.4 48.9 -60.8 -48.5 -56.9 -38.3 0.8 438 65 A W H X S+ 0 0 17 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.887 103.7 59.8 -57.8 -43.3 -60.0 -36.1 0.6 439 66 A K H < S+ 0 0 158 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.2 36.4 -53.4 -38.9 -58.1 -33.0 1.7 440 67 A K H >< S+ 0 0 157 -4,-1.3 3,-1.3 -3,-0.5 4,-0.4 0.899 116.2 52.1 -80.8 -45.5 -55.9 -33.5 -1.3 441 68 A E H >< S+ 0 0 59 -4,-3.2 3,-1.2 1,-0.2 4,-0.3 0.815 99.7 64.4 -62.5 -31.6 -58.5 -34.8 -3.7 442 69 A Q G >< S+ 0 0 42 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.511 79.4 78.4 -75.2 -5.2 -60.9 -31.8 -3.1 443 70 A I G < S+ 0 0 134 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.832 86.2 65.5 -68.7 -28.7 -58.5 -29.2 -4.5 444 71 A K G < S+ 0 0 153 -3,-1.2 2,-1.0 -4,-0.4 -1,-0.2 0.836 91.0 70.8 -60.1 -32.6 -59.7 -30.5 -7.8 445 72 A C < - 0 0 7 -3,-0.5 6,-0.2 -4,-0.3 -1,-0.2 -0.756 63.4-175.9 -93.9 101.8 -63.2 -29.2 -7.0 446 73 A K + 0 0 182 -2,-1.0 2,-0.3 4,-0.1 -1,-0.2 0.930 68.0 43.3 -60.6 -53.0 -63.2 -25.4 -7.1 447 74 A T S > S- 0 0 43 1,-0.1 4,-2.0 65,-0.0 3,-0.5 -0.677 83.6-122.0 -97.6 153.4 -66.7 -24.7 -5.9 448 75 A N H > S+ 0 0 13 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.823 113.9 60.8 -60.4 -33.6 -68.5 -26.5 -3.1 449 76 A R H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.925 108.5 46.8 -58.1 -40.2 -71.3 -27.6 -5.4 450 77 A E H > S+ 0 0 87 -3,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.918 107.4 54.1 -66.9 -45.4 -68.4 -29.4 -7.2 451 78 A K H X S+ 0 0 37 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.875 107.3 53.6 -58.9 -34.8 -67.0 -30.8 -4.0 452 79 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.960 110.5 44.9 -65.4 -49.2 -70.4 -32.3 -3.3 453 80 A Y H X S+ 0 0 51 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.949 116.8 46.1 -56.7 -51.4 -70.6 -34.1 -6.7 454 81 A L H X S+ 0 0 35 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.870 108.6 53.9 -60.8 -44.1 -67.0 -35.4 -6.4 455 82 A Y H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.895 110.8 46.5 -61.1 -41.6 -67.3 -36.6 -2.8 456 83 A N H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.887 111.0 51.9 -69.0 -38.8 -70.3 -38.7 -3.7 457 84 A E H X S+ 0 0 64 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.960 111.1 48.5 -60.4 -48.9 -68.7 -40.1 -6.8 458 85 A L H X S+ 0 0 34 -4,-2.7 4,-2.0 1,-0.2 5,-0.4 0.865 106.8 55.2 -57.6 -41.7 -65.7 -41.1 -4.7 459 86 A S H X S+ 0 0 11 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.934 115.6 40.1 -59.4 -43.7 -67.8 -42.7 -2.1 460 87 A L H X S+ 0 0 1 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.973 118.5 42.4 -71.1 -58.5 -69.4 -44.9 -4.8 461 88 A T H >X S+ 0 0 35 -4,-3.2 3,-1.5 1,-0.2 4,-0.5 0.946 113.1 51.0 -58.4 -51.0 -66.4 -45.7 -7.0 462 89 A T H >< S+ 0 0 30 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.871 100.7 62.2 -57.1 -38.1 -63.9 -46.4 -4.2 463 90 A E H >< S+ 0 0 26 -4,-1.1 3,-1.0 -5,-0.4 -1,-0.3 0.779 90.4 71.7 -59.5 -23.5 -66.2 -48.8 -2.3 464 91 A Y H << S+ 0 0 99 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.873 114.8 21.2 -59.3 -36.4 -66.0 -51.0 -5.5 465 92 A Y T << S+ 0 0 170 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 -0.021 84.8 134.3-125.3 33.9 -62.5 -51.9 -4.7 466 93 A Y X - 0 0 63 -3,-1.0 3,-0.8 1,-0.2 4,-0.4 -0.755 43.1-153.5 -86.6 117.5 -62.1 -51.2 -0.9 467 94 A P T > S+ 0 0 54 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.915 90.8 47.4 -54.5 -52.7 -60.2 -54.2 0.6 468 95 A L T 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.654 83.9 97.9 -68.0 -15.2 -61.6 -53.8 4.2 469 96 A Q H <> S+ 0 0 39 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.835 84.8 45.5 -41.1 -48.3 -65.2 -53.4 2.9 470 97 A N H <> S+ 0 0 73 -3,-0.8 4,-2.4 -4,-0.4 -1,-0.2 0.920 111.1 50.5 -66.9 -43.9 -66.0 -57.1 3.5 471 98 A A H > S+ 0 0 1 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.877 112.3 51.0 -61.0 -36.0 -64.5 -57.3 7.0 472 99 A I H X S+ 0 0 25 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.947 108.5 48.2 -64.9 -51.3 -66.5 -54.2 7.8 473 100 A I H X S+ 0 0 21 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.874 114.6 48.1 -57.7 -37.7 -69.8 -55.5 6.6 474 101 A E H < S+ 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.907 112.5 49.2 -69.2 -41.2 -69.0 -58.7 8.6 475 102 A F H >< S+ 0 0 0 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.905 114.1 42.5 -65.1 -46.8 -68.1 -56.6 11.7 476 103 A Y H >X S+ 0 0 75 -4,-2.9 3,-2.6 1,-0.2 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17.2 646 86 E S H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.860 98.3 53.2 -53.1 -34.7 -30.7 -58.7 20.2 647 87 E L H <4 S+ 0 0 7 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.787 123.5 26.0 -70.5 -27.0 -31.6 -55.7 18.0 648 88 E T H << S+ 0 0 68 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.672 89.6 109.4-113.1 -22.1 -34.9 -57.2 17.0 649 89 E T < - 0 0 11 -4,-3.9 -28,-0.0 1,-0.1 -243,-0.0 -0.172 57.9-145.3 -57.1 152.6 -36.0 -59.6 19.7 650 90 E E S S+ 0 0 40 -243,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.466 71.7 94.4 -97.6 -3.1 -39.0 -58.4 21.7 651 91 E Y S S- 0 0 30 2,-0.1 2,-3.9 1,-0.1 -2,-0.1 -0.648 96.2 -26.7 -99.3 148.2 -37.6 -60.0 24.8 652 92 E Y S > S+ 0 0 13 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 -0.151 116.1 77.1 56.9 -58.0 -35.5 -58.6 27.7 653 93 E Y G > S+ 0 0 10 -2,-3.9 3,-1.2 1,-0.2 4,-0.2 0.811 89.0 55.6 -55.5 -33.0 -33.8 -55.9 25.7 654 94 E P G > S+ 0 0 33 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.841 103.3 56.9 -70.3 -27.6 -36.7 -53.5 25.7 655 95 E L G <> S+ 0 0 0 -3,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.212 73.0 107.2 -84.7 15.2 -36.8 -53.7 29.6 656 96 E Q H <> S+ 0 0 7 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.942 78.7 51.2 -58.4 -46.1 -33.2 -52.5 29.9 657 97 E N H X> S+ 0 0 18 -3,-0.5 4,-2.0 1,-0.3 3,-0.5 0.982 111.4 44.7 -53.2 -64.2 -34.4 -49.2 31.2 658 98 E A H 3> S+ 0 0 0 -83,-0.3 4,-2.0 -4,-0.3 -1,-0.3 0.751 113.4 55.9 -53.8 -23.6 -36.7 -50.6 33.8 659 99 E I H 3X S+ 0 0 15 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.894 103.9 47.1 -82.1 -38.6 -33.9 -53.0 34.8 660 100 E I H < S+ 0 0 53 -4,-1.3 3,-1.3 -3,-0.2 7,-0.4 0.413 82.3 97.9-128.3 6.1 -32.6 -53.1 44.9 667 107 E Y T 3< S+ 0 0 106 -4,-1.9 -3,-0.1 -3,-0.3 -2,-0.1 0.599 81.7 68.1 -71.0 -6.4 -29.0 -54.4 44.7 668 108 E K T 3 S+ 0 0 157 -4,-0.2 -1,-0.3 -5,-0.1 2,-0.1 0.723 85.2 81.1 -81.3 -24.8 -28.9 -53.6 48.5 669 109 E T S <> S- 0 0 52 -3,-1.3 4,-0.7 1,-0.1 5,-0.0 -0.493 73.5-145.2 -78.6 153.5 -31.4 -56.4 49.2 670 110 E N H > S+ 0 0 121 3,-0.2 4,-1.9 2,-0.1 5,-0.1 0.870 93.0 39.5 -89.9 -40.6 -30.0 -60.0 49.4 671 111 E S H > S+ 0 0 64 2,-0.2 4,-3.2 3,-0.2 5,-0.4 0.957 119.1 47.1 -73.0 -52.0 -32.8 -62.1 47.9 672 112 E I H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -2,-0.1 0.948 116.0 46.0 -51.8 -53.1 -33.7 -59.7 45.2 673 113 E N H X S+ 0 0 37 -4,-0.7 4,-3.3 -7,-0.4 -1,-0.2 0.873 113.7 48.3 -59.9 -41.3 -30.0 -59.2 44.3 674 114 E E H X S+ 0 0 114 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.955 114.5 43.8 -65.9 -50.1 -29.3 -63.0 44.4 675 115 E K H X S+ 0 0 88 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.904 115.9 53.8 -58.4 -37.8 -32.3 -63.8 42.2 676 116 E M H X S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.4 3,-0.4 0.938 108.9 43.7 -61.3 -54.5 -31.2 -60.9 40.2 677 117 E N H X S+ 0 0 51 -4,-3.3 4,-1.8 1,-0.3 -1,-0.2 0.763 106.7 61.6 -67.4 -24.0 -27.6 -62.0 39.6 678 118 E K H X S+ 0 0 148 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.3 0.886 110.4 42.7 -66.5 -36.1 -28.9 -65.5 38.9 679 119 E L H X S+ 0 0 11 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.937 109.9 53.2 -73.2 -50.2 -30.7 -63.8 36.0 680 120 E E H X S+ 0 0 36 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.853 107.1 57.4 -54.6 -32.9 -27.8 -61.6 34.9 681 121 E N H X S+ 0 0 104 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.935 102.7 50.1 -65.6 -47.2 -25.7 -64.8 34.8 682 122 E K H X S+ 0 0 110 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.943 107.2 55.0 -57.3 -47.5 -27.9 -66.6 32.3 683 123 E Y H X S+ 0 0 14 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.884 113.3 41.8 -54.1 -39.8 -27.9 -63.7 30.0 684 124 E I H >X S+ 0 0 16 -4,-1.5 4,-2.1 1,-0.2 3,-1.0 0.845 100.7 71.8 -76.7 -32.8 -24.1 -63.8 29.9 685 125 E D H 3X S+ 0 0 87 -4,-2.6 4,-3.0 1,-0.3 5,-0.3 0.821 87.6 64.5 -51.7 -33.9 -24.0 -67.5 29.7 686 126 E A H 3X S+ 0 0 15 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.3 0.949 108.3 40.3 -55.6 -47.1 -25.2 -67.3 26.1 687 127 E Y H X S+ 0 0 116 -4,-3.4 4,-1.2 2,-0.2 3,-1.1 0.997 116.4 42.6 -61.8 -63.2 -16.1 -71.7 25.2 693 133 E E H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 112.9 56.5 -51.9 -33.2 -17.3 -73.9 22.4 694 134 E G H ><>S+ 0 0 0 -4,-1.1 5,-1.8 -5,-0.4 3,-1.1 0.871 102.0 57.4 -67.3 -36.3 -15.5 -71.5 20.1 695 135 E N H X<5S+ 0 0 45 -4,-1.9 3,-2.5 -3,-1.1 2,-2.3 0.991 105.9 44.4 -56.0 -73.5 -12.2 -72.1 21.9 696 136 E L T 3<5S+ 0 0 115 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.076 109.8 65.2 -64.5 33.1 -12.0 -75.9 21.6 697 137 E N T < 5S- 0 0 88 -2,-2.3 -1,-0.3 -3,-1.1 -2,-0.2 0.189 105.6-122.6-136.8 8.3 -13.0 -75.2 18.0 698 138 E G T < 5S+ 0 0 74 -3,-2.5 -3,-0.2 2,-0.3 -2,-0.1 0.661 81.8 119.1 55.7 15.8 -10.0 -73.3 16.8 699 139 E E S + 0 0 58 1,-0.2 4,-1.4 2,-0.0 -1,-0.2 -0.909 65.0 176.6-109.8 109.7 -10.5 -65.1 29.9 705 145 E V H > S+ 0 0 20 -2,-0.6 4,-3.2 -3,-0.2 5,-0.2 0.966 81.0 50.5 -76.9 -54.6 -14.0 -66.3 28.8 706 146 E N H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.819 112.5 49.9 -53.3 -33.1 -16.1 -65.0 31.7 707 147 E A H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 113.9 41.9 -71.3 -51.7 -14.5 -61.6 31.3 708 148 E V H X S+ 0 0 0 -4,-1.4 4,-3.0 1,-0.2 -2,-0.2 0.827 111.9 58.3 -65.1 -30.9 -15.1 -61.3 27.5 709 149 E S H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.954 108.1 44.0 -63.9 -49.9 -18.5 -62.8 28.0 710 150 E K H X S+ 0 0 54 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.923 115.4 50.2 -60.0 -43.8 -19.6 -60.0 30.4 711 151 E I H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.931 110.9 48.0 -60.2 -48.6 -18.0 -57.4 28.1 712 152 E A H X S+ 0 0 0 -4,-3.0 4,-3.5 2,-0.2 3,-0.4 0.990 112.2 48.8 -53.7 -67.0 -19.7 -58.7 25.0 713 153 E A H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.849 117.9 40.0 -39.9 -52.5 -23.1 -58.8 26.6 714 154 E N H X S+ 0 0 7 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.3 0.840 115.3 49.9 -73.5 -33.4 -22.8 -55.3 28.0 715 155 E A H X S+ 0 0 0 -4,-3.1 4,-1.5 -3,-0.4 -2,-0.2 0.954 114.6 45.8 -68.6 -45.5 -21.1 -53.8 24.9 716 156 E V H X S+ 0 0 0 -4,-3.5 4,-2.5 -5,-0.3 3,-0.2 0.903 108.7 55.3 -61.9 -42.6 -23.9 -55.3 22.7 717 157 E N H X S+ 0 0 3 -4,-2.2 4,-3.3 -5,-0.4 -1,-0.2 0.871 105.1 55.3 -58.7 -35.6 -26.6 -54.1 25.1 718 158 E G H X S+ 0 0 0 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.889 108.2 45.8 -65.3 -39.5 -25.2 -50.7 24.7 719 159 E I H < S+ 0 0 1 -4,-1.5 4,-0.4 -3,-0.2 -2,-0.2 0.876 116.4 48.5 -71.1 -34.9 -25.5 -50.8 20.9 720 160 E V H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.983 119.0 34.0 -69.8 -56.6 -29.0 -52.2 21.3 721 161 E T H 3< S+ 0 0 18 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.495 118.5 53.8 -80.8 0.7 -30.4 -49.8 23.8 722 162 E F T 3< S+ 0 0 19 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.329 110.9 41.8-114.6 10.1 -28.5 -46.7 22.5 723 163 E T S < S+ 0 0 1 -3,-0.9 3,-0.2 -4,-0.4 -2,-0.1 0.114 73.2 120.7-134.5 16.7 -29.5 -46.9 18.8 724 164 E H S S+ 0 0 107 1,-0.2 4,-0.1 -4,-0.1 -3,-0.1 0.678 72.0 58.3 -58.7 -19.6 -33.2 -47.7 19.4 725 165 E E S S+ 0 0 52 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.969 90.9 84.4 -73.1 -56.0 -34.2 -44.5 17.5 726 166 E Q S S- 0 0 54 -3,-0.2 2,-0.3 1,-0.1 -3,-0.1 0.326 94.1 -82.2 -39.2 171.2 -32.5 -45.4 14.2 727 167 E N >> - 0 0 99 1,-0.1 4,-2.0 4,-0.0 3,-1.4 -0.657 39.5-120.0 -85.2 137.8 -33.9 -47.5 11.4 728 168 E I H 3> S+ 0 0 70 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.752 108.7 53.7 -48.3 -37.3 -33.5 -51.3 11.9 729 169 E N H 3> S+ 0 0 125 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.817 109.5 49.2 -72.5 -25.9 -31.4 -52.0 8.8 730 170 E E H <> S+ 0 0 47 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.929 110.4 51.8 -73.6 -45.5 -28.9 -49.4 9.8 731 171 E R H X S+ 0 0 9 -4,-2.0 4,-2.9 1,-0.3 5,-0.4 0.981 108.0 49.6 -53.1 -62.9 -28.7 -50.9 13.3 732 172 E I H X S+ 0 0 34 -4,-2.4 4,-0.8 1,-0.2 -1,-0.3 0.829 109.8 55.6 -47.4 -30.4 -28.1 -54.4 12.0 733 173 E K H >X S+ 0 0 148 -4,-1.0 4,-1.4 -5,-0.2 3,-0.6 0.965 111.5 40.1 -68.6 -50.7 -25.4 -52.7 9.9 734 174 E L H >X S+ 0 0 8 -4,-2.5 4,-2.5 -3,-0.3 3,-0.6 0.946 111.1 57.7 -60.7 -51.2 -23.5 -51.2 12.8 735 175 E M H 3X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.723 107.1 51.0 -53.7 -22.4 -24.1 -54.2 15.0 736 176 E N H