==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-DEC-08 3FNB . COMPND 2 MOLECULE: ACYLAMINOACYL PEPTIDASE SMU_737; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR Y.KIM,C.HATZOS,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCT . 745 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 38 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.3 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 2 2 4 1 2 3 0 0 3 0 5 0 1 1 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 2 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 2 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 8 A L 0 0 121 0, 0.0 318,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 51.0 0.1 11.4 92.4 2 9 A K - 0 0 96 2,-0.5 316,-1.7 316,-0.1 3,-0.1 0.874 360.0 -8.8 -88.6 -53.0 3.8 12.5 91.9 3 10 A R S S+ 0 0 43 1,-0.4 350,-3.1 314,-0.2 2,-0.3 0.532 136.7 2.0-117.4 -9.7 3.1 15.1 89.2 4 11 A Q - 0 0 27 348,-0.2 -2,-0.5 311,-0.1 -1,-0.4 -0.974 50.7-139.0-171.5 164.3 -0.6 14.5 88.4 5 12 A D S S+ 0 0 74 -2,-0.3 2,-0.4 -4,-0.2 -1,-0.1 0.600 78.4 57.6-111.1 -18.7 -3.7 12.4 89.3 6 13 A Y S S- 0 0 75 340,-0.0 2,-0.3 310,-0.0 -1,-0.1 -0.968 76.5-121.1-124.4 135.3 -5.5 11.4 86.1 7 14 A K + 0 0 114 -2,-0.4 4,-0.1 1,-0.1 6,-0.0 -0.527 27.4 177.7 -72.7 132.8 -4.2 9.5 83.0 8 15 A I - 0 0 12 2,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.870 67.9 -36.5-100.1 -51.8 -4.3 11.4 79.7 9 16 A K S S+ 0 0 66 1,-0.3 2,-0.3 31,-0.0 7,-0.1 0.492 113.2 57.5-144.3 -44.6 -2.8 9.2 77.0 10 17 A F - 0 0 5 2,-0.2 -1,-0.3 1,-0.1 -2,-0.3 -0.749 55.0-148.0-107.6 148.1 0.2 7.1 78.1 11 18 A N S S+ 0 0 116 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.878 82.8 88.8 -76.4 -39.1 0.6 4.5 80.8 12 19 A N S > S- 0 0 26 1,-0.2 4,-2.3 2,-0.1 34,-0.2 -0.491 76.3-149.3 -56.0 117.4 4.3 5.5 81.3 13 20 A K H > S+ 0 0 171 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.786 89.6 51.9 -67.7 -32.5 3.8 8.2 83.9 14 21 A D H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 114.0 43.9 -69.8 -45.4 6.7 10.4 82.9 15 22 A X H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.911 112.4 52.8 -65.8 -39.5 5.7 10.5 79.3 16 23 A D H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.918 109.5 48.5 -65.6 -41.7 2.0 11.1 80.2 17 24 A F H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 111.7 49.7 -60.1 -43.8 2.9 14.0 82.4 18 25 A C H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.934 111.1 50.0 -61.9 -42.3 5.1 15.5 79.6 19 26 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.932 110.1 49.5 -60.2 -48.7 2.2 15.0 77.2 20 27 A N H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 111.7 50.3 -52.3 -43.2 -0.2 16.7 79.5 21 28 A W H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 108.5 50.8 -66.6 -41.1 2.3 19.5 79.8 22 29 A X H X S+ 0 0 4 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.927 110.2 50.7 -64.6 -41.9 2.6 19.8 76.0 23 30 A L H >X S+ 0 0 9 -4,-2.8 3,-0.7 1,-0.2 4,-0.7 0.937 108.2 53.1 -52.9 -48.7 -1.2 20.0 75.7 24 31 A G H >X S+ 0 0 5 -4,-2.4 3,-1.3 1,-0.3 4,-0.6 0.880 101.7 58.0 -60.9 -41.7 -1.2 22.7 78.4 25 32 A I H >X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 3,-1.3 0.860 100.8 59.1 -53.5 -35.8 1.4 24.8 76.5 26 33 A G H << S+ 0 0 6 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.685 92.2 65.8 -73.2 -17.1 -1.0 24.8 73.5 27 34 A Q H << S+ 0 0 20 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.807 115.2 30.8 -70.2 -25.3 -3.7 26.5 75.5 28 35 A I H << S- 0 0 31 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.847 134.9 -14.6 -96.9 -41.0 -1.4 29.5 75.7 29 36 A I S < S+ 0 0 14 -4,-2.6 2,-0.4 2,-0.1 -1,-0.4 -0.996 100.4 4.6-167.8 142.1 0.4 29.3 72.5 30 37 A G S S+ 0 0 1 -2,-0.3 54,-0.2 -3,-0.1 53,-0.1 -0.578 90.8 43.5 85.5-128.2 1.2 27.0 69.5 31 38 A X - 0 0 8 -2,-0.4 -2,-0.1 52,-0.2 2,-0.1 -0.206 64.2-135.3 -73.2 147.4 -0.1 23.6 68.9 32 39 A S > - 0 0 3 1,-0.1 4,-2.2 -5,-0.0 5,-0.1 -0.385 30.7-106.6 -85.4 170.4 -3.8 22.4 69.3 33 40 A A H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.820 122.2 62.4 -63.4 -31.3 -4.9 19.2 71.0 34 41 A G H > S+ 0 0 0 695,-1.4 4,-1.9 2,-0.2 687,-0.2 0.953 106.0 42.6 -58.5 -50.4 -5.6 18.1 67.4 35 42 A E H > S+ 0 0 4 694,-0.4 4,-2.9 685,-0.2 -2,-0.2 0.950 114.8 51.0 -60.4 -48.2 -2.0 18.4 66.5 36 43 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.875 110.8 45.9 -60.7 -44.8 -0.8 16.8 69.7 37 44 A F H X S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.822 111.6 53.1 -71.8 -32.6 -3.0 13.8 69.5 38 45 A Y H < S+ 0 0 71 -4,-1.9 4,-0.5 -5,-0.3 3,-0.3 0.956 112.7 44.9 -58.9 -51.9 -2.1 13.3 65.9 39 46 A I H >< S+ 0 0 6 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.943 112.4 51.1 -55.4 -49.9 1.6 13.3 66.9 40 47 A A H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.3 -1,-0.2 0.771 93.5 73.5 -63.7 -26.1 1.0 11.1 69.8 41 48 A S T 3< S+ 0 0 59 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.763 97.8 50.2 -61.4 -21.8 -0.8 8.5 67.7 42 49 A G T < S+ 0 0 28 -3,-1.8 2,-0.6 -4,-0.5 -1,-0.3 0.193 93.2 93.6 -99.6 15.9 2.6 7.7 66.3 43 50 A I < - 0 0 12 -3,-2.4 2,-0.1 10,-0.1 3,-0.1 -0.917 68.8-138.0-117.6 115.0 4.4 7.2 69.6 44 51 A R > - 0 0 161 -2,-0.6 3,-2.2 1,-0.1 7,-0.2 -0.413 44.4 -91.0 -62.5 137.2 4.7 3.8 71.3 45 52 A D T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.1 -35,-0.0 -0.290 110.0 3.8 -57.9 122.8 4.0 4.1 75.1 46 53 A G T 3 S+ 0 0 13 1,-0.2 222,-0.4 -34,-0.2 -1,-0.3 0.685 95.4 129.9 74.8 18.0 7.2 4.8 77.0 47 54 A N <> - 0 0 24 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.836 33.7-177.5-103.4 97.8 9.3 5.0 73.8 48 55 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.822 81.8 59.7 -74.8 -22.0 11.4 8.1 73.8 49 56 A T H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 107.8 44.6 -58.2 -53.4 12.8 7.4 70.3 50 57 A D H > S+ 0 0 9 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.936 113.3 53.2 -52.6 -50.1 9.3 7.5 68.8 51 58 A W H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.948 110.7 44.4 -51.7 -55.6 8.5 10.6 70.9 52 59 A C H X S+ 0 0 18 -4,-2.6 4,-2.2 43,-0.2 -1,-0.2 0.877 116.2 48.4 -58.0 -38.5 11.6 12.5 69.6 53 60 A K H X S+ 0 0 122 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.952 111.2 46.7 -74.0 -46.9 11.0 11.5 66.0 54 61 A R H X S+ 0 0 64 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.946 116.5 45.2 -58.6 -47.8 7.3 12.3 65.8 55 62 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.893 113.6 49.5 -67.4 -36.8 7.9 15.7 67.4 56 63 A N H X S+ 0 0 25 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.894 111.6 48.1 -68.1 -37.5 10.9 16.5 65.2 57 64 A E H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.842 106.6 58.2 -75.3 -24.0 9.1 15.5 62.0 58 65 A H H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.896 105.5 49.3 -67.5 -38.2 6.2 17.6 63.1 59 66 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.846 109.0 52.9 -63.0 -37.1 8.5 20.7 63.3 60 67 A D H X S+ 0 0 79 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.906 110.0 49.4 -63.5 -39.4 9.8 19.8 59.8 61 68 A Y H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 111.0 47.7 -66.4 -46.2 6.1 19.7 58.7 62 69 A L H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.812 108.0 55.7 -64.9 -33.6 5.3 23.1 60.2 63 70 A E H X S+ 0 0 55 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.870 106.9 48.9 -71.2 -36.1 8.4 24.8 58.7 64 71 A D H X S+ 0 0 82 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.933 108.2 55.8 -61.9 -45.7 7.5 23.7 55.2 65 72 A E H X S+ 0 0 7 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.895 103.7 54.7 -50.9 -42.5 4.0 25.1 55.9 66 73 A V H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 3,-0.4 0.936 109.1 46.4 -59.8 -47.8 5.7 28.4 56.8 67 74 A E H X S+ 0 0 111 -4,-1.7 4,-0.8 1,-0.2 3,-0.4 0.955 108.9 54.6 -55.2 -56.7 7.5 28.6 53.5 68 75 A R H < S+ 0 0 159 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.795 113.9 44.3 -43.3 -33.4 4.3 27.7 51.6 69 76 A V H >X>S+ 0 0 15 -4,-1.5 3,-1.9 -3,-0.4 5,-0.6 0.766 92.7 75.4 -91.9 -30.2 2.7 30.6 53.4 70 77 A K H ><5S+ 0 0 106 -4,-2.0 3,-0.9 -3,-0.4 -1,-0.2 0.790 80.8 75.7 -48.5 -31.5 5.4 33.3 53.0 71 78 A K T 3<5S+ 0 0 166 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.464 106.5 33.3 -66.0 2.1 4.3 33.6 49.4 72 79 A V T <45S- 0 0 83 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.358 104.8-125.6-141.5 -5.5 1.3 35.5 50.7 73 80 A G T <<5 + 0 0 60 -3,-0.9 2,-1.1 -4,-0.6 -3,-0.2 0.878 40.3 168.1 65.9 44.0 2.7 37.3 53.7 74 81 A Y >< + 0 0 35 -5,-0.6 4,-2.1 1,-0.2 -1,-0.2 -0.815 7.2 179.4 -88.0 96.9 0.4 36.3 56.5 75 82 A R H > S+ 0 0 130 -2,-1.1 4,-3.5 2,-0.2 5,-0.3 0.968 77.0 50.5 -61.2 -60.8 2.4 37.5 59.6 76 83 A D H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 116.9 41.8 -47.4 -44.1 -0.1 36.4 62.3 77 84 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 114.4 50.8 -74.2 -42.6 -0.3 32.9 60.8 78 85 A I H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.918 110.7 49.3 -59.0 -47.6 3.5 32.7 60.1 79 86 A S H X S+ 0 0 9 -4,-3.5 4,-2.1 41,-0.4 -1,-0.2 0.898 111.0 50.9 -58.1 -45.1 4.2 33.7 63.7 80 87 A H H X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.872 109.1 50.2 -62.5 -40.7 1.8 31.1 64.9 81 88 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.870 109.6 51.6 -65.3 -35.5 3.4 28.4 62.8 82 89 A Y H X S+ 0 0 20 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.903 109.0 49.9 -70.2 -39.3 6.9 29.3 64.1 83 90 A F H X S+ 0 0 16 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.912 111.5 48.9 -62.8 -42.0 5.7 29.1 67.7 84 91 A S H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.882 113.5 47.0 -65.4 -39.6 4.2 25.6 67.0 85 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.944 110.8 52.3 -66.4 -50.9 7.4 24.5 65.4 86 93 A C H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.946 114.3 41.2 -46.9 -56.1 9.5 25.9 68.2 87 94 A F H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.783 108.9 59.4 -75.6 -20.4 7.4 24.0 70.9 88 95 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.933 110.5 43.6 -64.9 -43.1 7.2 20.9 68.8 89 96 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 110.8 54.7 -66.5 -41.3 11.1 20.9 68.9 90 97 A R H X S+ 0 0 11 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.910 105.6 53.4 -60.3 -38.9 11.0 21.7 72.6 91 98 A A H >X S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 4,-0.6 0.938 108.9 48.3 -59.9 -46.9 8.8 18.7 73.1 92 99 A A H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.895 105.7 59.7 -60.3 -38.9 11.3 16.4 71.3 93 100 A L H >< S+ 0 0 7 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.795 90.0 71.6 -58.6 -32.0 14.2 17.9 73.4 94 101 A Q H << S+ 0 0 6 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.830 109.6 30.5 -57.5 -35.5 12.5 16.8 76.6 95 102 A F T << S+ 0 0 7 -3,-1.2 2,-0.5 -4,-0.6 -1,-0.3 0.000 95.6 112.3-114.6 28.0 13.3 13.1 75.8 96 103 A T < - 0 0 8 -3,-1.8 -47,-0.0 -44,-0.1 -3,-0.0 -0.843 67.6-127.8 -97.1 134.0 16.5 13.8 73.9 97 104 A D > - 0 0 34 -2,-0.5 3,-1.8 1,-0.1 6,-0.3 -0.711 11.9-136.8 -79.5 130.8 19.8 12.6 75.5 98 105 A P T 3 S+ 0 0 18 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.517 100.5 70.6 -68.0 -7.6 22.4 15.4 75.6 99 106 A K T 3 S+ 0 0 194 4,-0.1 2,-0.4 3,-0.0 -2,-0.0 0.394 81.0 101.3 -84.5 2.1 25.2 13.0 74.5 100 107 A D S X> S- 0 0 85 -3,-1.8 3,-1.7 1,-0.1 4,-0.6 -0.728 76.3-139.9 -83.3 131.5 23.3 13.1 71.2 101 108 A S H 3> S+ 0 0 106 -2,-0.4 4,-0.9 1,-0.3 -1,-0.1 0.812 104.5 59.4 -61.8 -26.9 24.9 15.4 68.6 102 109 A E H 3> S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.618 85.5 79.9 -80.8 -7.5 21.4 16.4 67.7 103 110 A F H <> S+ 0 0 9 -3,-1.7 4,-2.9 -6,-0.3 -1,-0.2 0.996 102.7 31.2 -58.8 -65.6 20.6 17.7 71.2 104 111 A X H X S+ 0 0 21 -4,-0.6 4,-2.2 2,-0.2 5,-0.2 0.804 117.0 59.9 -64.1 -30.7 22.3 21.1 70.8 105 112 A E H X S+ 0 0 119 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.962 112.6 37.8 -58.3 -52.1 21.5 21.1 67.1 106 113 A N H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.888 110.7 60.4 -70.3 -34.7 17.8 21.0 67.9 107 114 A F H X S+ 0 0 10 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.933 109.2 43.5 -55.2 -44.1 18.2 23.2 70.9 108 115 A R H X S+ 0 0 98 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.849 109.4 56.4 -73.1 -34.5 19.5 26.0 68.7 109 116 A R H X S+ 0 0 51 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.907 107.5 50.8 -59.5 -40.3 16.8 25.3 66.1 110 117 A X H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.935 109.0 49.6 -62.4 -47.8 14.3 25.8 68.9 111 118 A E H X S+ 0 0 24 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.892 112.1 48.9 -59.9 -40.5 15.8 29.2 69.9 112 119 A K H X S+ 0 0 141 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.956 110.7 48.2 -65.4 -49.2 15.8 30.3 66.3 113 120 A L H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.865 109.4 55.8 -58.2 -34.6 12.2 29.4 65.6 114 121 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.7 43.8 -64.0 -41.8 11.3 31.1 68.9 115 122 A X H X S+ 0 0 51 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.896 111.5 52.3 -72.2 -43.2 12.9 34.4 67.6 116 123 A L H X S+ 0 0 69 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.822 110.1 51.3 -58.9 -31.7 11.4 34.0 64.1 117 124 A A H >< S+ 0 0 0 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.939 112.2 45.2 -71.7 -47.7 8.0 33.6 65.9 118 125 A V H >< S+ 0 0 5 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.873 106.8 58.0 -60.8 -41.1 8.5 36.7 67.9 119 126 A D H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.697 108.1 48.7 -66.6 -17.1 9.8 38.8 65.0 120 127 A N T << S+ 0 0 33 -3,-0.8 -41,-0.4 -4,-0.5 -1,-0.3 0.316 108.5 62.9-104.7 7.0 6.5 38.1 63.2 121 128 A S S < S- 0 0 27 -3,-1.7 -3,-0.0 2,-0.2 -45,-0.0 -0.494 89.5-111.3-115.8-173.7 4.3 39.0 66.2 122 129 A K S S+ 0 0 189 -2,-0.2 -4,-0.1 2,-0.0 -3,-0.1 0.408 76.8 116.0-104.9 0.8 3.8 42.3 68.1 123 130 A I - 0 0 29 -5,-0.2 2,-1.0 1,-0.1 -2,-0.2 -0.594 60.4-146.4 -70.9 122.2 5.4 41.1 71.3 124 131 A P + 0 0 51 0, 0.0 19,-0.5 0, 0.0 -1,-0.1 -0.159 40.7 156.9 -84.4 42.5 8.5 43.3 71.8 125 132 A L - 0 0 8 -2,-1.0 2,-0.3 17,-0.2 17,-0.2 -0.421 22.6-162.5 -72.1 142.3 10.5 40.5 73.5 126 133 A K E -A 141 0A 97 15,-3.5 15,-2.9 -2,-0.1 2,-0.4 -0.938 19.3-124.3-124.0 149.8 14.3 40.6 73.4 127 134 A S E -A 140 0A 68 -2,-0.3 2,-0.3 13,-0.2 13,-0.3 -0.785 38.3-175.9 -84.7 133.0 17.0 38.1 74.0 128 135 A I E -A 139 0A 22 11,-3.0 11,-2.2 -2,-0.4 2,-0.4 -0.803 23.2-143.0-129.5 171.2 19.4 39.2 76.7 129 136 A E E -A 138 0A 120 -2,-0.3 54,-0.0 9,-0.2 -2,-0.0 -0.953 13.6-154.8-139.6 112.8 22.6 38.1 78.3 130 137 A V E -A 137 0A 0 7,-2.6 7,-3.2 -2,-0.4 2,-0.2 -0.780 19.6-124.9 -98.3 127.8 23.2 38.5 82.1 131 138 A P E +A 136 0A 70 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.489 42.8 154.0 -68.4 134.1 26.8 38.7 83.4 132 139 A F E > -A 135 0A 21 3,-2.7 3,-2.7 -2,-0.2 73,-0.1 -0.868 63.1 -13.8-164.4 126.3 27.6 36.2 86.1 133 140 A E T 3 S- 0 0 115 1,-0.3 3,-0.1 -2,-0.3 72,-0.0 0.820 124.9 -53.8 50.8 38.2 30.9 34.5 87.2 134 141 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.488 126.3 87.6 78.6 -0.7 32.8 35.7 84.1 135 142 A E E < S-A 132 0A 87 -3,-2.7 -3,-2.7 -5,-0.1 2,-0.4 -0.613 76.3-113.3-117.0-178.0 30.1 34.1 81.9 136 143 A L E -A 131 0A 70 -5,-0.2 -3,-0.0 -2,-0.2 -7,-0.0 -0.980 17.0-146.1-127.4 123.0 26.8 35.2 80.3 137 144 A L E -A 130 0A 0 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.1 -0.731 22.5-126.6 -88.2 123.3 23.3 33.7 81.2 138 145 A P E +A 129 0A 9 0, 0.0 46,-2.3 0, 0.0 2,-0.3 -0.465 43.6 152.7 -70.7 140.3 20.9 33.5 78.3 139 146 A G E -AB 128 183A 0 -11,-2.2 -11,-3.0 44,-0.2 2,-0.3 -0.960 36.9-126.9-152.7 171.5 17.5 35.1 79.0 140 147 A Y E -AB 127 182A 4 42,-2.6 42,-2.7 -2,-0.3 2,-0.4 -0.948 22.1-168.2-119.9 151.3 14.5 36.8 77.5 141 148 A A E -AB 126 181A 3 -15,-2.9 -15,-3.5 -2,-0.3 2,-0.4 -0.989 16.5-169.1-134.2 143.7 13.0 40.2 78.4 142 149 A I E + B 0 180A 0 38,-2.2 38,-2.4 -2,-0.4 2,-0.3 -0.938 28.1 167.3-126.3 112.2 9.9 42.0 77.6 143 150 A I - 0 0 54 -19,-0.5 2,-0.4 -2,-0.4 36,-0.1 -0.915 36.7-123.3-125.5 146.4 10.2 45.6 78.9 144 151 A S - 0 0 19 -2,-0.3 5,-0.2 3,-0.2 35,-0.0 -0.723 17.4-157.1 -83.4 140.1 8.2 48.8 78.3 145 152 A E S S+ 0 0 161 -2,-0.4 -1,-0.1 3,-0.1 3,-0.0 0.754 87.8 22.3 -93.2 -23.0 10.4 51.5 76.9 146 153 A D S S+ 0 0 139 1,-0.0 2,-0.2 2,-0.0 -2,-0.1 0.788 110.4 73.7-107.1 -43.7 8.3 54.5 78.0 147 154 A K S S- 0 0 133 1,-0.1 2,-1.1 -4,-0.0 -3,-0.2 -0.528 73.9-133.6 -80.1 137.6 6.2 53.2 80.9 148 155 A A + 0 0 72 -2,-0.2 2,-0.2 68,-0.1 -1,-0.1 -0.740 39.4 177.1 -87.5 92.7 7.7 52.5 84.3 149 156 A Q - 0 0 17 -2,-1.1 68,-0.4 -5,-0.2 29,-0.1 -0.625 33.3-105.4 -99.3 154.9 6.2 49.1 85.1 150 157 A D - 0 0 34 27,-0.4 29,-3.3 -2,-0.2 2,-0.4 -0.345 44.3-118.1 -67.7 159.8 6.7 46.7 88.0 151 158 A T E -cd 179 220A 0 68,-2.5 70,-2.9 27,-0.2 2,-0.5 -0.827 20.8-164.0-115.8 143.2 8.8 43.7 87.3 152 159 A L E -cd 180 221A 0 27,-3.3 29,-2.4 -2,-0.4 2,-0.6 -0.985 6.6-161.5-121.0 123.3 8.3 40.0 87.3 153 160 A I E -cd 181 222A 1 68,-2.5 70,-2.8 -2,-0.5 2,-0.4 -0.927 10.0-156.9-104.1 122.5 11.3 37.6 87.3 154 161 A V E -cd 182 223A 0 27,-2.6 29,-0.9 -2,-0.6 2,-0.4 -0.859 10.3-174.8-102.0 131.6 10.4 34.0 86.3 155 162 A V E - d 0 224A 1 68,-3.1 70,-2.4 -2,-0.4 73,-0.1 -0.986 4.1-162.8-128.9 131.6 12.6 31.1 87.3 156 163 A G - 0 0 0 -2,-0.4 75,-0.1 27,-0.3 70,-0.1 -0.131 11.1-131.1 -97.2-164.2 12.2 27.4 86.3 157 164 A G - 0 0 1 70,-0.2 3,-0.5 71,-0.1 -1,-0.2 0.167 59.1 -41.9-121.3-124.9 13.6 24.1 87.7 158 165 A G S S+ 0 0 16 1,-0.2 122,-0.1 30,-0.1 68,-0.1 0.440 129.8 45.9 -97.2 0.7 15.4 21.2 86.1 159 166 A D S S+ 0 0 21 2,-0.0 2,-0.3 29,-0.0 -1,-0.2 -0.040 93.5 91.9-132.3 35.4 13.3 20.9 83.0 160 167 A T - 0 0 15 -3,-0.5 29,-1.5 4,-0.0 2,-0.3 -0.946 43.1-169.5-132.4 149.5 13.0 24.4 81.6 161 168 A S >> - 0 0 6 -2,-0.3 4,-1.4 27,-0.2 3,-1.2 -0.790 52.0 -89.9-117.2 171.8 14.7 26.9 79.3 162 169 A R H 3> S+ 0 0 13 -2,-0.3 4,-0.6 1,-0.3 3,-0.2 0.840 127.2 62.1 -40.6 -40.9 14.0 30.6 78.8 163 170 A E H >> S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.8 0.865 100.4 48.8 -62.9 -39.2 11.5 29.5 76.2 164 171 A D H <> S+ 0 0 1 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.822 102.9 63.1 -69.1 -30.6 9.3 27.6 78.7 165 172 A L H 3X>S+ 0 0 0 -4,-1.4 5,-2.7 -3,-0.2 4,-1.4 0.690 95.1 64.1 -69.3 -19.5 9.3 30.6 81.1 166 173 A F H <<>S+ 0 0 1 -3,-0.8 5,-3.3 -4,-0.6 6,-0.5 0.961 111.5 29.3 -69.3 -57.4 7.5 32.6 78.4 167 174 A Y H <5S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.855 115.1 65.0 -72.6 -30.3 4.3 30.7 78.2 168 175 A X H <5S- 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.861 137.2 -43.2 -68.5 -37.9 4.5 29.6 81.7 169 176 A L T X5S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.1 -3,-0.2 0.389 119.1 83.0-158.9 -26.8 4.2 33.1 83.1 170 177 A G H > S+ 0 0 6 -6,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.894 104.4 56.6 -63.0 -45.0 1.1 36.7 80.8 173 180 A G H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.3 0.931 109.8 48.2 -50.0 -44.2 3.2 39.1 82.9 174 181 A W H ><5S+ 0 0 52 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.947 106.8 52.6 -64.8 -49.5 3.5 41.1 79.7 175 182 A E H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.753 110.4 52.4 -56.7 -24.0 -0.3 41.0 79.0 176 183 A H T 3<5S- 0 0 45 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.150 122.7-104.9-100.6 16.4 -0.8 42.3 82.5 177 184 A D T < 5S+ 0 0 105 -3,-2.4 -27,-0.4 1,-0.2 2,-0.4 0.778 74.7 134.5 66.7 30.4 1.6 45.2 82.1 178 185 A Y < - 0 0 7 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.842 60.3-119.0 -97.8 147.2 4.6 43.9 84.1 179 186 A N E - c 0 151A 0 -29,-3.3 -27,-3.3 -2,-0.4 2,-0.4 -0.696 39.4-153.1 -73.7 138.5 8.1 44.1 82.9 180 187 A V E -Bc 142 152A 0 -38,-2.4 -38,-2.2 -2,-0.4 2,-0.4 -0.969 20.0-173.5-124.8 134.5 9.3 40.5 82.6 181 188 A L E -Bc 141 153A 0 -29,-2.4 -27,-2.6 -2,-0.4 2,-0.5 -0.985 1.7-174.9-120.9 135.5 12.7 38.8 82.8 182 189 A X E +Bc 140 154A 0 -42,-2.7 -42,-2.6 -2,-0.4 2,-0.5 -0.924 15.1 173.8-133.6 103.9 13.2 35.1 82.1 183 190 A V E -B 139 0A 1 -29,-0.9 2,-0.6 -2,-0.5 -27,-0.3 -0.949 29.5-134.3-124.4 132.2 16.7 34.0 82.8 184 191 A D - 0 0 0 -46,-2.3 3,-0.1 -2,-0.5 -29,-0.1 -0.717 25.2-152.0 -79.9 120.0 18.2 30.5 82.7 185 192 A L > - 0 0 5 -2,-0.6 3,-2.3 1,-0.2 6,-0.2 -0.331 42.9 -62.0 -82.2 170.9 20.4 30.0 85.8 186 193 A P T 3 S+ 0 0 10 0, 0.0 13,-0.4 0, 0.0 11,-0.3 -0.311 129.1 28.2 -53.9 135.0 23.4 27.6 85.8 187 194 A G T 3 S+ 0 0 0 9,-2.4 2,-0.3 1,-0.3 11,-0.2 0.212 105.0 101.5 94.0 -14.4 22.2 24.0 85.1 188 195 A Q S X S- 0 0 0 -3,-2.3 3,-2.1 9,-0.1 -1,-0.3 -0.702 83.2 -22.4-105.8 157.4 19.2 25.3 83.1 189 196 A G T 3 S- 0 0 11 -29,-1.5 4,-0.1 -2,-0.3 -28,-0.1 -0.205 127.6 -17.0 47.5-126.1 18.6 25.5 79.3 190 197 A K T >> S+ 0 0 53 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.455 109.7 102.7 -91.7 -1.3 21.9 25.6 77.3 191 198 A N G X4>S+ 0 0 0 -3,-2.1 5,-2.6 1,-0.3 3,-1.7 0.858 74.5 55.4 -53.0 -44.4 24.0 26.5 80.3 192 199 A P G >45S+ 0 0 7 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.793 98.9 65.4 -61.2 -23.0 25.5 23.1 80.9 193 200 A N G <45S+ 0 0 78 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.705 106.0 41.3 -73.6 -17.7 26.6 23.2 77.3 194 201 A Q G <<5S- 0 0 78 -3,-1.7 -1,-0.3 -4,-0.5 -3,-0.1 -0.010 129.3 -92.2-113.4 28.7 28.9 26.1 78.2 195 202 A G T < 5S+ 0 0 50 -3,-1.3 2,-0.7 1,-0.2 -2,-0.1 0.712 85.6 130.2 75.3 23.6 30.1 24.6 81.5 196 203 A L < + 0 0 9 -5,-2.6 -9,-2.4 -6,-0.1 -1,-0.2 -0.898 33.0 170.3-112.5 100.1 27.5 26.2 83.8 197 204 A H - 0 0 58 -2,-0.7 84,-0.2 -11,-0.3 -9,-0.1 -0.478 44.6 -59.9-108.3 171.9 26.0 23.5 85.9 198 205 A F - 0 0 23 82,-1.8 2,-0.3 -11,-0.2 -1,-0.2 -0.228 57.1-153.0 -52.6 137.4 23.7 23.5 88.9 199 206 A E - 0 0 71 -13,-0.4 3,-0.1 -3,-0.1 -1,-0.1 -0.741 21.9-113.9-115.0 167.9 25.2 25.3 91.8 200 207 A V S S+ 0 0 64 -2,-0.3 2,-0.5 1,-0.2 98,-0.4 0.851 102.1 29.5 -74.2 -34.8 24.7 24.9 95.5 201 208 A D > - 0 0 36 1,-0.1 3,-0.6 96,-0.1 4,-0.4 -0.979 59.0-165.3-133.7 122.7 23.1 28.3 96.2 202 209 A A T 3> S+ 0 0 11 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.483 72.5 91.7 -82.1 -5.7 21.0 30.0 93.5 203 210 A R H 3> S+ 0 0 83 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.874 83.3 50.2 -59.1 -43.6 21.1 33.3 95.5 204 211 A A H <> S+ 0 0 42 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.934 112.7 46.9 -64.5 -44.6 24.2 34.7 93.7 205 212 A A H > S+ 0 0 3 -4,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.946 115.5 43.9 -65.5 -44.6 22.9 34.0 90.3 206 213 A I H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.946 112.7 53.9 -66.7 -39.4 19.5 35.5 91.0 207 214 A S H X S+ 0 0 25 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.860 103.3 56.8 -61.5 -33.4 21.2 38.4 92.7 208 215 A A H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.906 103.8 52.6 -64.6 -39.9 23.3 39.0 89.6 209 216 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.901 110.3 48.7 -60.5 -42.8 20.1 39.4 87.5 210 217 A L H < S+ 0 0 10 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.863 110.7 50.2 -63.5 -40.0 19.0 42.0 90.0 211 218 A D H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.8 45.9 -62.8 -37.0 22.3 43.8 89.8 212 219 A W H < S+ 0 0 84 -4,-2.3 2,-0.2 -5,-0.2 -2,-0.2 0.834 97.8 83.2 -77.6 -34.8 22.1 43.7 86.1 213 220 A Y < - 0 0 16 -4,-2.2 2,-0.8 -5,-0.2 -32,-0.0 -0.503 66.4-149.3 -77.0 134.4 18.5 44.9 85.8 214 221 A Q - 0 0 157 -2,-0.2 -3,-0.1 2,-0.0 -1,-0.1 -0.880 24.4-148.1-102.8 106.6 17.8 48.5 85.9 215 222 A A 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37.6 110.4 337 361 A I < - 0 0 21 -5,-3.2 2,-1.5 -6,-0.2 -1,-0.2 -0.594 53.8-113.7 -74.8 141.4 3.5 37.3 106.9 338 362 A D + 0 0 81 -2,-0.3 -29,-2.2 2,-0.0 2,-0.4 -0.631 59.1 162.5 -70.2 94.2 1.0 38.0 104.1 339 363 A V E -g 309 0A 3 -2,-1.5 2,-0.4 -31,-0.2 -29,-0.2 -0.934 25.1-168.2-123.7 139.3 1.0 34.4 102.8 340 364 A T E -g 310 0A 47 -31,-2.1 -29,-3.2 -2,-0.4 2,-0.6 -0.995 5.5-162.4-129.2 130.7 -1.5 32.6 100.6 341 365 A L E -g 311 0A 26 -2,-0.4 2,-0.7 -31,-0.2 -29,-0.2 -0.904 9.7-168.0-112.5 104.6 -1.6 28.9 100.0 342 366 A R E -g 312 0A 45 -31,-3.5 -29,-3.3 -2,-0.6 2,-0.6 -0.824 2.5-168.0 -96.8 113.1 -3.6 27.9 96.9 343 367 A K E -g 313 0A 109 -2,-0.7 2,-0.7 -31,-0.2 -29,-0.2 -0.880 13.6-146.9 -93.5 122.9 -4.4 24.3 96.5 344 368 A F E -g 314 0A 0 -31,-2.4 -29,-2.3 -2,-0.6 -28,-0.3 -0.827 16.7-141.8 -94.0 112.6 -5.8 23.5 93.0 345 369 A S > - 0 0 45 -2,-0.7 5,-0.9 -31,-0.2 4,-0.5 -0.159 22.6-110.7 -62.1 165.2 -8.3 20.7 93.2 346 370 A S T > 5S+ 0 0 16 1,-0.2 3,-1.6 2,-0.2 5,-0.2 0.888 119.9 60.5 -60.2 -38.4 -8.6 18.0 90.5 347 371 A E T 3 5S+ 0 0 62 1,-0.3 -1,-0.2 2,-0.1 65,-0.1 0.764 94.2 61.2 -64.0 -28.8 -11.9 19.6 89.6 348 372 A S T 3 5S- 0 0 2 -3,-0.3 -1,-0.3 1,-0.1 60,-0.3 0.718 102.7-133.6 -70.5 -20.1 -10.2 22.8 88.7 349 373 A G T < 5S+ 0 0 0 -3,-1.6 58,-0.2 -4,-0.5 59,-0.2 0.618 87.3 93.6 75.4 13.9 -8.2 20.9 86.1 350 374 A A < + 0 0 0 -5,-0.9 -6,-0.2 57,-0.1 8,-0.2 0.040 44.5 108.1-124.5 22.1 -5.1 22.7 87.4 351 375 A D + 0 0 4 -6,-0.3 -35,-1.3 -5,-0.2 2,-0.1 0.320 50.2 103.8 -92.8 3.5 -3.9 20.1 89.9 352 376 A A S > S- 0 0 0 1,-0.1 3,-2.4 -3,-0.1 -348,-0.2 -0.472 90.6 -74.3 -80.4 160.4 -0.8 18.9 88.0 353 377 A H G > S+ 0 0 14 -350,-3.1 3,-1.4 1,-0.3 -1,-0.1 -0.276 122.8 8.1 -49.9 135.7 2.7 19.9 88.9 354 378 A C G 3 S- 0 0 8 1,-0.3 -1,-0.3 -42,-0.2 -3,-0.1 0.622 117.7 -90.0 61.0 15.9 3.3 23.6 87.8 355 379 A Q G X S+ 0 0 0 -3,-2.4 3,-1.7 -5,-0.1 -1,-0.3 0.811 78.1 154.6 54.8 31.4 -0.5 23.8 87.0 356 380 A V G X + 0 0 1 -3,-1.4 3,-0.5 1,-0.3 -1,-0.1 0.750 63.5 60.9 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377 11 B Q 0 0 80 0, 0.0 13,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 103.2 -11.1 12.1 62.4 378 12 B D + 0 0 146 1,-0.1 2,-0.3 2,-0.0 346,-0.0 -0.059 360.0 54.4-148.1 51.1 -9.7 8.6 62.5 379 13 B Y S S- 0 0 63 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.847 86.1-102.4-158.9 151.9 -7.8 7.7 65.7 380 14 B K - 0 0 99 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.463 20.7-168.3 -89.7 151.3 -9.3 8.2 69.2 381 15 B I S S- 0 0 10 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.834 83.9 -36.1 -87.9 -52.7 -8.8 10.9 71.8 382 16 B K S S+ 0 0 61 1,-0.3 2,-0.3 7,-0.0 -2,-0.1 0.572 116.0 59.0-141.5 -39.9 -10.5 9.2 74.6 383 17 B F - 0 0 4 2,-0.2 -1,-0.3 1,-0.1 -2,-0.2 -0.760 53.0-149.0-107.1 148.5 -13.6 7.1 73.8 384 18 B N S S+ 0 0 108 -2,-0.3 2,-0.4 -4,-0.1 -1,-0.1 0.810 81.4 90.5 -76.2 -33.5 -14.2 4.2 71.5 385 19 B N S > S- 0 0 25 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.556 74.9-149.1 -60.9 118.7 -17.8 5.3 70.8 386 20 B K H > S+ 0 0 157 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.852 90.3 49.5 -70.2 -41.4 -17.2 7.5 67.8 387 21 B D H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 114.8 45.6 -59.7 -49.7 -19.9 10.0 68.3 388 22 B X H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.956 112.4 50.3 -61.4 -46.9 -18.9 10.6 71.9 389 23 B D H X S+ 0 0 15 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.906 110.0 51.2 -58.9 -41.9 -15.2 10.8 71.0 390 24 B F H X S+ 0 0 61 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.932 111.6 46.7 -59.4 -49.0 -16.0 13.4 68.2 391 25 B C H X S+ 0 0 3 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.928 112.9 49.8 -53.9 -46.9 -17.9 15.5 70.7 392 26 B F H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.945 110.6 49.6 -62.4 -46.2 -15.1 15.2 73.2 393 27 B N H X S+ 0 0 9 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.907 112.5 48.9 -54.3 -44.9 -12.6 16.2 70.6 394 28 B W H X S+ 0 0 15 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.900 108.3 51.7 -63.6 -45.8 -14.8 19.1 69.7 395 29 B X H X S+ 0 0 4 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.925 109.1 52.0 -59.7 -42.0 -15.2 20.2 73.4 396 30 B L H >X S+ 0 0 11 -4,-2.7 4,-0.7 1,-0.2 3,-0.6 0.932 106.0 55.0 -55.6 -47.2 -11.4 20.1 73.7 397 31 B G H >< S+ 0 0 4 -4,-2.1 3,-1.2 1,-0.3 4,-0.4 0.887 102.4 56.1 -55.9 -43.4 -11.2 22.4 70.6 398 32 B I H >X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 3,-1.8 0.853 98.2 62.4 -53.8 -37.9 -13.4 25.0 72.2 399 33 B G H << S+ 0 0 6 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.733 90.8 67.3 -67.8 -20.0 -11.1 25.2 75.2 400 34 B Q T << S+ 0 0 21 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.791 114.1 29.3 -65.6 -25.7 -8.4 26.4 72.9 401 35 B I T <4 S- 0 0 33 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.875 133.9 -15.1-101.8 -53.1 -10.5 29.6 72.4 402 36 B I S < S+ 0 0 16 -4,-2.4 -1,-0.4 2,-0.1 2,-0.3 -0.977 102.5 10.4-146.7 157.4 -12.5 30.1 75.6 403 37 B G S S+ 0 0 1 -2,-0.3 54,-0.2 -3,-0.1 2,-0.1 -0.554 90.4 39.8 86.0-134.8 -13.5 28.2 78.7 404 38 B X - 0 0 8 -2,-0.3 -2,-0.1 53,-0.2 -55,-0.1 -0.295 62.8-133.5 -80.1 140.7 -12.3 24.9 79.9 405 39 B S > - 0 0 2 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.272 32.1-106.0 -75.6 165.3 -8.7 23.6 79.8 406 40 B A H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.823 122.5 62.8 -59.5 -31.6 -7.8 20.1 78.7 407 41 B G H > S+ 0 0 6 -50,-1.5 4,-1.9 -58,-0.2 -58,-0.3 0.929 103.9 43.4 -57.5 -53.4 -7.3 19.5 82.4 408 42 B E H > S+ 0 0 4 -51,-0.3 4,-2.9 -60,-0.3 5,-0.2 0.921 113.9 53.8 -58.6 -42.2 -10.9 20.2 83.3 409 43 B L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 110.1 43.3 -67.1 -43.0 -12.0 18.1 80.3 410 44 B F H X S+ 0 0 4 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.852 113.2 54.3 -68.9 -28.6 -10.0 15.0 81.1 411 45 B Y H >< S+ 0 0 36 -4,-1.9 3,-0.7 -5,-0.2 4,-0.3 0.968 111.5 44.1 -64.7 -51.5 -11.1 15.4 84.7 412 46 B I H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.922 112.9 53.0 -56.9 -43.8 -14.8 15.5 83.7 413 47 B A H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.681 90.9 73.7 -72.7 -16.4 -14.2 12.6 81.2 414 48 B S T << S+ 0 0 57 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.690 97.0 51.4 -72.0 -11.3 -12.7 10.3 83.9 415 49 B G T < S+ 0 0 29 -3,-1.6 2,-0.6 -4,-0.3 -1,-0.3 0.252 92.8 94.1-101.8 11.8 -16.3 9.9 85.2 416 50 B I < - 0 0 13 -3,-1.7 2,-0.1 10,-0.1 3,-0.1 -0.894 65.4-145.0-113.7 112.2 -17.8 8.9 81.9 417 51 B R > - 0 0 167 -2,-0.6 3,-2.2 1,-0.1 7,-0.2 -0.472 44.6 -85.6 -70.0 144.2 -18.2 5.3 80.8 418 52 B D T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.1 -35,-0.0 -0.223 111.7 1.9 -54.4 129.0 -17.7 4.8 77.1 419 53 B G T 3 S+ 0 0 16 1,-0.2 221,-0.3 -34,-0.2 -1,-0.3 0.703 94.1 133.6 67.7 18.5 -20.9 5.4 75.1 420 54 B N <> - 0 0 38 -3,-2.2 4,-1.8 1,-0.2 -1,-0.2 -0.859 30.8-179.4-105.1 99.0 -22.9 6.4 78.3 421 55 B P H > S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.790 81.7 58.5 -67.3 -29.8 -24.8 9.6 77.6 422 56 B T H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.931 107.4 44.2 -66.9 -47.8 -26.2 9.6 81.1 423 57 B D H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.890 112.3 56.3 -57.2 -43.3 -22.7 9.8 82.7 424 58 B W H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.941 110.9 41.0 -56.3 -55.4 -21.8 12.4 80.1 425 59 B C H X S+ 0 0 20 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.898 115.2 51.9 -56.8 -46.1 -24.7 14.8 81.1 426 60 B K H X S+ 0 0 125 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.935 112.6 43.6 -60.7 -48.2 -24.2 14.2 84.8 427 61 B R H X S+ 0 0 50 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.881 117.3 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81.1 56.2 -63.6 -28.4 -27.2 5.0 73.2 641 293 B V H > S+ 0 0 0 -222,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.950 108.9 43.7 -69.7 -48.2 -25.2 8.0 72.1 642 294 B A H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.933 109.1 59.8 -62.4 -42.8 -26.3 7.8 68.5 643 295 B E H X S+ 0 0 103 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.921 106.6 45.0 -51.1 -49.8 -29.9 7.3 69.6 644 296 B V H X S+ 0 0 11 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.866 112.1 53.8 -66.8 -34.2 -30.1 10.6 71.5 645 297 B N H X S+ 0 0 21 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.927 109.4 46.5 -60.5 -48.2 -28.4 12.4 68.6 646 298 B L H X S+ 0 0 63 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.907 110.5 53.8 -63.6 -42.5 -31.0 11.1 66.1 647 299 B N H X S+ 0 0 61 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.883 106.7 51.5 -58.1 -43.0 -33.8 12.0 68.5 648 300 B K H X S+ 0 0 19 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.942 109.3 50.8 -62.9 -43.5 -32.5 15.6 68.8 649 301 B Y H X S+ 0 0 53 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.931 106.4 53.8 -56.1 -48.4 -32.5 15.8 65.0 650 302 B A H X>S+ 0 0 8 -4,-2.5 5,-2.1 1,-0.2 4,-1.5 0.943 109.2 50.3 -48.6 -50.1 -36.1 14.6 64.7 651 303 B W H <5S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.6 51.4 -56.7 -40.2 -37.0 17.4 67.2 652 304 B Q H <5S+ 0 0 10 -4,-2.1 -81,-1.6 1,-0.2 -1,-0.2 0.838 113.5 43.4 -72.7 -31.5 -35.2 20.0 65.0 653 305 B F H <5S- 0 0 24 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.625 111.2-123.4 -80.8 -19.1 -37.0 18.9 61.8 654 306 B G T <5 + 0 0 39 -4,-1.5 -3,-0.2 -5,-0.3 2,-0.2 0.772 69.0 122.8 80.8 28.5 -40.3 18.7 63.8 655 307 B Q S - 0 0 66 -7,-0.1 4,-1.5 1,-0.1 -2,-0.1 -0.954 65.4-135.7-136.8 150.0 -38.5 9.9 63.5 658 310 B F H > S+ 0 0 19 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.806 113.8 59.3 -67.2 -28.7 -35.1 10.7 62.2 659 311 B I H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 106.0 43.6 -67.7 -45.5 -36.1 8.3 59.5 660 312 B T H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.844 110.9 56.7 -65.9 -38.0 -39.0 10.5 58.5 661 313 B S H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.908 104.4 52.1 -60.0 -44.9 -36.8 13.5 58.8 662 314 B V H X S+ 0 0 15 -4,-2.8 4,-2.5 2,-0.2 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