==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-AUG-11 3VGT . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOMONAS; . AUTHOR N.OKAZAKI,Y.YONEZAWA,S.ARAI,F.MATSUMOTO,T.TAMADA,H.TOKUNAGA, . 700 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 68.7 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 . 108 15.4 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 . 5 0.7 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 . 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 . 35 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 9 0 6 3 8 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 3 0 3 0 0 1 3 6 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 1 0 0 1 1 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 A A 0 0 93 0, 0.0 79,-1.9 0, 0.0 80,-0.3 0.000 360.0 360.0 360.0 135.5 42.3 1.6 34.0 2 3 A T E +A 79 0A 101 77,-0.2 77,-0.3 78,-0.1 2,-0.3 -0.561 360.0 175.1 -72.2 133.0 45.6 1.0 35.8 3 4 A E E -A 78 0A 53 75,-3.6 75,-2.4 -2,-0.3 2,-0.4 -0.829 28.7-119.3-135.1 174.3 47.8 -1.2 33.6 4 5 A R E +A 77 0A 64 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.936 28.1 175.1-118.2 142.2 51.2 -2.8 33.3 5 6 A T E -A 76 0A 0 71,-2.5 71,-2.7 -2,-0.4 2,-0.4 -0.973 29.8-112.9-143.5 154.2 53.7 -2.2 30.5 6 7 A L E -A 75 0A 0 -2,-0.3 112,-1.4 69,-0.2 2,-0.4 -0.733 30.5-177.4 -93.0 139.5 57.3 -3.3 29.7 7 8 A S E -AB 74 117A 0 67,-2.5 67,-3.0 -2,-0.4 2,-0.4 -0.982 7.1-165.8-132.3 141.6 60.1 -0.7 29.7 8 9 A I E -AB 73 116A 1 108,-1.9 108,-1.3 -2,-0.4 2,-0.7 -0.996 14.9-148.3-130.6 123.8 63.8 -1.3 28.8 9 10 A I E -AB 72 115A 0 63,-2.8 63,-2.2 -2,-0.4 106,-0.2 -0.875 38.3-133.3 -88.3 120.0 66.5 1.2 29.6 10 11 A K >> - 0 0 1 104,-2.6 4,-2.2 -2,-0.7 3,-0.9 -0.295 17.4 -97.7 -79.3 163.2 68.8 0.4 26.6 11 12 A P H 3> S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.754 121.9 52.9 -45.5 -36.6 72.6 -0.2 26.4 12 13 A D H 3> S+ 0 0 19 101,-0.3 4,-1.1 2,-0.2 102,-0.1 0.867 109.1 47.1 -72.9 -39.0 73.2 3.4 25.3 13 14 A A H <4>S+ 0 0 0 -3,-0.9 5,-1.6 101,-0.3 4,-0.2 0.920 113.3 47.5 -73.3 -38.6 71.3 5.0 28.2 14 15 A V H ><5S+ 0 0 14 -4,-2.2 3,-2.0 56,-0.2 5,-0.2 0.915 107.9 55.4 -66.0 -41.2 73.0 2.8 30.8 15 16 A A H 3<5S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.3 51.2 -59.5 -31.1 76.5 3.5 29.4 16 17 A K T 3<5S- 0 0 101 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.500 111.3-129.7 -82.6 -6.2 75.7 7.2 29.8 17 18 A N T < 5 + 0 0 138 -3,-2.0 -3,-0.2 -4,-0.2 3,-0.2 0.904 68.0 130.1 58.3 47.5 74.7 6.5 33.4 18 19 A V >< + 0 0 16 -5,-1.6 4,-2.2 1,-0.1 5,-0.2 0.015 24.2 120.3-116.1 23.0 71.3 8.3 33.2 19 20 A I H > S+ 0 0 48 1,-0.2 4,-2.6 -5,-0.2 5,-0.2 0.930 77.2 47.7 -52.8 -48.9 69.4 5.3 34.6 20 21 A G H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 108.9 53.9 -61.7 -40.9 68.2 7.5 37.5 21 22 A E H > S+ 0 0 104 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.882 111.4 44.7 -61.8 -40.2 67.1 10.4 35.2 22 23 A I H >X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 3,-1.1 0.952 110.8 53.3 -70.3 -46.9 65.0 8.1 33.1 23 24 A E H >X S+ 0 0 28 -4,-2.6 4,-2.2 1,-0.3 3,-0.5 0.890 104.8 56.9 -52.2 -44.0 63.4 6.4 36.1 24 25 A S H 3X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.772 98.5 60.1 -60.2 -30.0 62.5 9.8 37.5 25 26 A R H S+ 0 0 0 -4,-1.2 5,-2.8 -3,-0.5 -2,-0.2 0.910 117.6 46.4 -73.5 -43.2 58.3 7.6 34.9 27 28 A E H ><5S+ 0 0 109 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.828 111.6 50.3 -69.6 -34.9 57.9 8.2 38.6 28 29 A K H 3<5S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 106.0 58.0 -71.2 -33.0 57.3 11.9 38.3 29 30 A A T 3<5S- 0 0 54 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.348 125.8-102.5 -78.0 5.5 54.6 11.0 35.7 30 31 A G T < 5S+ 0 0 52 -3,-1.0 49,-0.3 1,-0.3 2,-0.3 0.613 80.8 127.9 85.0 12.0 52.9 8.9 38.3 31 32 A L < - 0 0 7 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.3 -0.758 46.7-143.7-101.2 152.2 54.0 5.4 37.1 32 33 A K E -C 77 0A 78 45,-2.7 45,-2.2 -2,-0.3 2,-0.8 -0.929 12.0-131.5-117.2 136.3 55.6 2.9 39.4 33 34 A I E +C 76 0A 38 -2,-0.4 43,-0.2 43,-0.2 3,-0.1 -0.776 31.7 171.9 -83.9 115.2 58.4 0.5 38.6 34 35 A V E + 0 0 5 41,-2.1 104,-3.5 -2,-0.8 2,-0.3 0.374 65.5 21.2-104.1 2.1 57.0 -2.8 40.0 35 36 A A E +C 75 0A 7 40,-0.8 40,-2.5 102,-0.2 2,-0.3 -0.919 69.5 158.9-167.0 139.2 59.6 -5.1 38.6 36 37 A A E +C 74 0A 48 100,-0.3 2,-0.3 -2,-0.3 38,-0.2 -0.946 9.6 169.8-169.1 144.5 63.1 -4.5 37.4 37 38 A K E -C 73 0A 66 36,-2.3 36,-2.2 -2,-0.3 2,-0.4 -0.911 26.0-132.7-161.8 132.8 66.5 -6.2 36.7 38 39 A M E +C 72 0A 114 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.702 41.8 148.8 -85.4 133.5 69.7 -5.3 35.0 39 40 A L E -C 71 0A 41 32,-2.9 32,-3.7 -2,-0.4 2,-0.7 -0.989 49.3-112.9-159.9 168.4 71.2 -7.7 32.6 40 41 A Q E -C 70 0A 98 -2,-0.3 27,-0.1 30,-0.3 2,-0.1 -0.941 39.8-132.5-107.9 111.5 73.2 -8.4 29.5 41 42 A L - 0 0 3 -2,-0.7 2,-0.2 28,-0.5 28,-0.0 -0.368 16.8-132.4 -65.9 139.5 70.9 -9.9 26.8 42 43 A S > - 0 0 50 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.572 25.2-108.2 -89.2 158.5 72.3 -13.0 25.0 43 44 A Q H > S+ 0 0 120 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.946 124.5 47.6 -46.6 -51.4 72.2 -13.2 21.2 44 45 A E H > S+ 0 0 156 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.844 110.2 51.4 -60.1 -39.7 69.4 -15.8 21.7 45 46 A Q H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.908 111.8 44.4 -66.7 -46.0 67.5 -13.6 24.2 46 47 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.892 112.5 54.1 -66.3 -39.6 67.4 -10.5 22.1 47 48 A E H < S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.828 108.7 47.5 -64.4 -34.8 66.5 -12.6 19.0 48 49 A G H >< S+ 0 0 34 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.750 111.2 51.3 -78.9 -24.4 63.5 -14.2 20.6 49 50 A F H 3< S+ 0 0 4 -4,-1.2 3,-0.3 1,-0.2 -2,-0.2 0.817 118.1 37.0 -79.5 -34.7 62.2 -10.9 21.9 50 51 A Y T >< S+ 0 0 8 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 -0.145 79.3 132.2-105.2 32.6 62.4 -9.2 18.5 51 52 A A G X + 0 0 32 -3,-0.6 3,-2.6 1,-0.3 4,-0.2 0.880 60.8 68.4 -52.9 -39.8 61.3 -12.4 16.8 52 53 A E G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.3 3,-0.3 0.720 103.4 42.9 -53.1 -25.5 58.8 -10.5 14.8 53 54 A H G X S+ 0 0 14 -3,-1.9 3,-2.9 1,-0.2 6,-0.3 0.236 78.4 123.4-103.8 7.3 61.6 -8.8 12.8 54 55 A K T < S+ 0 0 138 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.702 81.4 33.9 -37.9 -35.6 63.5 -12.0 12.5 55 56 A E T 3 S+ 0 0 68 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.259 92.5 109.4-112.5 10.3 63.6 -11.7 8.7 56 57 A R S X S- 0 0 14 -3,-2.9 3,-1.8 1,-0.1 4,-0.3 -0.629 75.1-122.5 -87.0 146.0 63.8 -8.0 8.3 57 58 A P T 3 S+ 0 0 97 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.622 111.3 56.0 -62.3 -12.7 67.1 -6.5 7.1 58 59 A F T 3> S+ 0 0 20 1,-0.1 4,-2.6 -5,-0.1 3,-0.2 0.563 80.1 97.1 -95.8 -6.1 67.5 -4.4 10.2 59 60 A F H <> S+ 0 0 27 -3,-1.8 4,-2.9 -6,-0.3 5,-0.4 0.896 80.3 50.1 -45.0 -59.8 67.3 -7.4 12.5 60 61 A G H > S+ 0 0 52 -4,-0.3 4,-3.8 1,-0.2 -1,-0.2 0.892 113.9 45.0 -48.7 -48.2 71.0 -7.9 12.9 61 62 A D H > S+ 0 0 99 -4,-0.3 4,-2.4 -3,-0.2 5,-0.4 0.894 112.9 51.7 -65.3 -39.7 71.6 -4.2 13.8 62 63 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.976 120.3 34.1 -58.2 -57.5 68.5 -4.3 16.2 63 64 A V H < S+ 0 0 4 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.930 115.3 58.9 -62.2 -49.9 69.8 -7.3 18.0 64 65 A G H >< S+ 0 0 34 -4,-3.8 3,-1.0 -5,-0.4 4,-0.2 0.920 113.9 35.3 -47.2 -55.4 73.5 -6.3 17.6 65 66 A F H >< S+ 0 0 34 -4,-2.4 3,-2.1 1,-0.2 4,-0.3 0.910 111.4 60.2 -64.5 -48.3 73.1 -3.0 19.4 66 67 A M T 3< S+ 0 0 0 -4,-2.0 -25,-0.3 -5,-0.4 -1,-0.2 0.415 112.7 41.0 -65.6 6.0 70.5 -4.3 21.9 67 68 A T T < S+ 0 0 34 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.295 84.9 99.9-131.5 -3.3 73.2 -6.8 23.0 68 69 A S S < S- 0 0 77 -3,-2.1 -2,-0.1 -4,-0.2 -3,-0.1 0.579 98.5 -13.5 -63.6 -14.4 76.1 -4.3 22.9 69 70 A G S S- 0 0 10 -4,-0.3 -28,-0.5 -30,-0.1 -57,-0.1 -0.972 92.0 -55.3-171.8 178.7 75.9 -3.9 26.6 70 71 A P E - C 0 40A 54 0, 0.0 -30,-0.3 0, 0.0 2,-0.3 -0.390 48.8-169.5 -71.7 155.0 73.8 -4.4 29.8 71 72 A V E - C 0 39A 0 -32,-3.7 -32,-2.9 -57,-0.1 2,-0.5 -0.813 23.5-121.6-133.8 172.9 70.2 -3.1 29.9 72 73 A V E -AC 9 38A 13 -63,-2.2 -63,-2.8 -2,-0.3 2,-0.4 -0.967 25.0-166.9-120.9 110.0 67.6 -2.6 32.6 73 74 A V E +AC 8 37A 0 -36,-2.2 -36,-2.3 -2,-0.5 2,-0.3 -0.840 23.7 153.7 -96.5 137.8 64.3 -4.5 31.8 74 75 A Q E -AC 7 36A 0 -67,-3.0 -67,-2.5 -2,-0.4 2,-0.4 -0.926 41.0-115.6-153.0 176.5 61.4 -3.5 33.9 75 76 A V E -AC 6 35A 0 -40,-2.5 -41,-2.1 -2,-0.3 -40,-0.8 -0.982 19.9-158.9-123.4 128.7 57.7 -3.2 34.4 76 77 A L E -AC 5 33A 0 -71,-2.7 -71,-2.5 -2,-0.4 2,-0.4 -0.882 11.7-168.2-105.3 139.6 55.9 0.2 34.8 77 78 A E E +AC 4 32A 28 -45,-2.2 -45,-2.7 -2,-0.4 2,-0.3 -0.997 29.6 90.8-131.9 135.8 52.5 0.1 36.4 78 79 A G E > S-A 3 0A 11 -75,-2.4 -75,-3.6 -2,-0.4 3,-1.4 -0.988 73.9 -29.7 170.8-171.2 49.9 2.9 36.5 79 80 A E E 3 S-A 2 0A 120 -49,-0.3 -77,-0.2 1,-0.3 5,-0.1 -0.584 128.5 -11.5 -73.8 118.2 46.9 4.7 35.0 80 81 A N T 3> S+ 0 0 75 -79,-1.9 4,-3.6 -2,-0.5 -1,-0.3 0.862 88.9 167.9 60.7 35.9 47.0 4.3 31.2 81 82 A A H <> + 0 0 0 -3,-1.4 4,-2.7 -80,-0.3 5,-0.2 0.837 65.1 51.9 -50.0 -47.1 50.6 3.0 31.7 82 83 A I H > S+ 0 0 9 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.945 120.3 32.2 -59.1 -53.8 51.1 1.7 28.2 83 84 A A H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 117.2 56.2 -72.1 -41.8 50.1 4.8 26.4 84 85 A A H X S+ 0 0 23 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.913 108.9 49.1 -54.7 -42.5 51.5 7.1 29.2 85 86 A N H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 3,-0.4 0.951 108.0 52.2 -62.1 -52.5 54.8 5.4 28.7 86 87 A R H X S+ 0 0 22 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.866 108.5 53.9 -52.8 -35.8 54.7 5.8 24.9 87 88 A D H < S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.886 111.2 43.0 -68.4 -38.3 54.1 9.6 25.6 88 89 A L H < S+ 0 0 44 -4,-1.7 14,-3.2 -3,-0.4 15,-0.2 0.833 112.8 54.0 -74.8 -33.2 57.1 10.0 27.9 89 90 A M H < S- 0 0 1 -4,-2.6 14,-3.3 12,-0.2 15,-0.3 0.908 95.7-153.2 -69.1 -42.9 59.4 8.0 25.5 90 91 A G < - 0 0 8 -4,-1.9 -1,-0.1 -5,-0.2 7,-0.1 -0.330 43.2 -18.0 93.8 179.0 58.7 10.0 22.4 91 92 A A - 0 0 5 52,-0.2 5,-0.1 2,-0.2 6,-0.1 -0.316 61.7-122.3 -61.3 138.7 58.8 8.8 18.8 92 93 A T S S+ 0 0 15 1,-0.2 -1,-0.1 4,-0.1 17,-0.1 0.835 106.2 65.7 -47.6 -38.1 60.8 5.6 18.1 93 94 A N S > S- 0 0 20 1,-0.2 3,-3.0 52,-0.1 4,-0.2 -0.763 83.0-149.5 -90.7 100.3 63.0 7.7 15.8 94 95 A P G > S+ 0 0 17 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.760 91.2 62.9 -39.4 -37.4 64.7 10.2 18.0 95 96 A K G 3 S+ 0 0 159 1,-0.3 -3,-0.1 -3,-0.1 9,-0.0 0.574 105.6 44.7 -71.0 -8.8 64.9 12.8 15.3 96 97 A E G < S+ 0 0 26 -3,-3.0 2,-0.4 -5,-0.1 -1,-0.3 0.094 90.2 117.2-118.1 20.6 61.1 13.1 15.0 97 98 A A < - 0 0 19 -3,-1.5 3,-0.1 -4,-0.2 47,-0.1 -0.761 68.7-112.5 -98.6 136.3 60.5 13.2 18.7 98 99 A E > - 0 0 106 -2,-0.4 3,-1.6 45,-0.2 6,-0.4 -0.280 43.3 -95.7 -60.5 142.4 58.9 16.1 20.6 99 100 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.144 109.2 35.3 -57.1 154.0 61.2 18.0 22.9 100 101 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.145 91.1 116.3 87.3 -21.5 61.1 17.0 26.6 101 102 A T S <> S- 0 0 15 -3,-1.6 4,-1.3 1,-0.1 -1,-0.3 -0.266 78.3-112.2 -74.1 166.3 60.5 13.3 25.7 102 103 A I H > S+ 0 0 0 -14,-3.2 4,-2.6 1,-0.2 5,-0.5 0.946 115.7 47.5 -68.0 -46.8 63.0 10.6 26.6 103 104 A R H > S+ 0 0 6 -14,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.886 110.0 52.6 -62.9 -37.3 64.1 9.9 23.1 104 105 A A H 4 S+ 0 0 39 -6,-0.4 -1,-0.2 -15,-0.3 -2,-0.2 0.829 119.1 36.9 -66.5 -30.1 64.5 13.6 22.2 105 106 A D H < S+ 0 0 81 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.752 132.4 18.9 -94.5 -27.7 66.8 14.0 25.2 106 107 A Y H < S+ 0 0 32 -4,-2.6 2,-0.2 -5,-0.1 -3,-0.2 0.590 97.2 96.8-121.7 -12.0 68.8 10.8 25.4 107 108 A A < - 0 0 20 -4,-1.6 6,-0.2 -5,-0.5 3,-0.1 -0.562 39.4-174.0 -90.5 146.8 68.7 9.0 22.1 108 109 A Q - 0 0 135 4,-2.5 2,-0.3 1,-0.3 5,-0.2 0.633 67.6 -24.8-105.9 -24.5 71.2 9.1 19.2 109 110 A S S S- 0 0 52 3,-1.2 -1,-0.3 1,-0.1 5,-0.0 -0.967 75.0 -73.8-170.5-174.9 69.4 7.1 16.6 110 111 A I S > S+ 0 0 29 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.955 131.9 35.9 -61.9 -50.2 66.8 4.5 15.7 111 112 A D T 3 S+ 0 0 49 1,-0.3 2,-1.5 -3,-0.1 -1,-0.2 0.982 123.0 46.1 -64.3 -57.9 69.0 1.7 16.9 112 113 A A T 3 S+ 0 0 17 -101,-0.1 -4,-2.5 -100,-0.1 -3,-1.2 -0.342 76.1 142.1 -83.4 52.9 70.4 3.7 19.7 113 114 A N < - 0 0 0 -2,-1.5 -101,-0.3 -3,-0.7 -100,-0.2 -0.606 57.4-121.3 -85.3 161.8 67.2 5.2 21.1 114 115 A A S S+ 0 0 0 -2,-0.2 -104,-2.6 -25,-0.1 -101,-0.3 0.804 78.4 14.8 -80.6 -26.0 67.4 5.3 24.9 115 116 A V E -B 9 0A 0 -106,-0.2 2,-0.3 -26,-0.1 -106,-0.2 -0.806 57.5-139.4-138.3 176.7 64.4 3.2 25.9 116 117 A H E +B 8 0A 11 -108,-1.3 -108,-1.9 -2,-0.2 2,-0.3 -0.986 18.7 179.1-138.6 144.3 61.8 0.7 24.8 117 118 A G E -B 7 0A 7 -2,-0.3 -110,-0.2 -110,-0.2 2,-0.1 -0.987 35.9-101.3-146.0 145.3 58.2 0.6 25.7 118 119 A S - 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0 0 2 -2,-0.6 2,-0.1 25,-0.4 28,-0.1 -0.096 19.5-131.9 -49.7 136.3 59.7 1.2 -8.0 183 43 B S > - 0 0 50 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.439 29.0-103.6 -81.8 169.1 62.5 -0.6 -9.8 184 44 B Q H > S+ 0 0 99 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 123.9 51.9 -59.3 -38.5 62.8 -4.4 -9.3 185 45 B E H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 109.3 46.6 -65.5 -43.4 65.7 -3.7 -6.9 186 46 B Q H > S+ 0 0 64 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.914 114.8 47.9 -66.1 -43.9 63.8 -1.2 -4.8 187 47 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.985 111.7 49.1 -60.7 -57.7 60.8 -3.5 -4.6 188 48 B E H < S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.796 113.9 47.0 -53.9 -30.9 62.9 -6.5 -3.7 189 49 B G H >< S+ 0 0 28 -4,-1.7 3,-1.1 2,-0.2 -1,-0.2 0.887 108.4 52.9 -78.7 -40.7 64.7 -4.5 -1.0 190 50 B F H 3< S+ 0 0 21 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.779 121.0 34.2 -64.3 -26.1 61.6 -3.0 0.6 191 51 B Y T >< S+ 0 0 13 -4,-1.8 3,-3.5 -5,-0.2 -1,-0.2 0.139 74.1 129.0-114.8 18.7 60.1 -6.6 0.9 192 52 B A G X + 0 0 33 -3,-1.1 3,-2.3 1,-0.3 4,-0.3 0.772 63.5 75.6 -42.1 -31.3 63.4 -8.5 1.6 193 53 B E G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -4,-0.2 3,-0.3 0.837 100.0 41.3 -52.8 -33.5 61.5 -10.0 4.5 194 54 B H G X S+ 0 0 9 -3,-3.5 3,-0.6 1,-0.2 6,-0.3 0.205 76.9 119.9-102.3 16.2 59.6 -12.2 2.0 195 55 B K T < S+ 0 0 99 -3,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.862 83.3 38.5 -45.5 -46.2 62.6 -13.1 -0.2 196 56 B E T 3 S+ 0 0 117 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.704 92.1 106.1 -81.5 -22.7 62.2 -16.8 0.5 197 57 B R S X S- 0 0 29 -3,-0.6 3,-1.4 1,-0.1 4,-0.3 -0.323 74.0-131.7 -60.5 139.1 58.4 -16.8 0.4 198 58 B P T 3 S+ 0 0 85 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.736 105.6 57.3 -64.7 -24.1 57.0 -18.4 -2.8 199 59 B F T 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.465 79.1 98.5 -86.1 -1.2 54.6 -15.4 -3.4 200 60 B F H <> S+ 0 0 22 -3,-1.4 4,-3.1 -6,-0.3 5,-0.3 0.952 77.9 52.8 -48.3 -62.0 57.6 -13.0 -3.4 201 61 B G H > S+ 0 0 52 -4,-0.3 4,-2.9 -3,-0.3 -1,-0.2 0.858 112.7 45.6 -43.5 -45.5 57.8 -12.9 -7.2 202 62 B D H > S+ 0 0 105 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.990 111.7 49.1 -63.9 -60.3 54.1 -12.0 -7.4 203 63 B L H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.846 115.9 46.5 -45.8 -40.3 54.2 -9.4 -4.7 204 64 B V H X S+ 0 0 5 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.937 108.6 53.9 -70.4 -47.1 57.2 -7.9 -6.4 205 65 B G H < S+ 0 0 35 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.847 112.5 44.9 -55.7 -36.8 55.7 -8.0 -9.9 206 66 B F H >< S+ 0 0 37 -4,-2.5 3,-2.3 2,-0.2 4,-0.2 0.945 109.6 50.7 -75.2 -49.2 52.7 -6.1 -8.7 207 67 B M H 3< S+ 0 0 0 -4,-1.9 -25,-0.4 1,-0.3 3,-0.3 0.753 117.1 44.8 -62.0 -19.0 54.4 -3.4 -6.7 208 68 B T T 3< S+ 0 0 18 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.322 88.1 91.7-107.0 10.6 56.5 -2.8 -9.7 209 69 B S S < S- 0 0 78 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.1 0.479 99.3 -9.3 -83.7 -4.9 53.6 -2.9 -12.3 210 70 B G S S- 0 0 10 -3,-0.3 -28,-0.3 -4,-0.2 -1,-0.1 -0.962 90.9 -58.2-179.0 165.5 53.0 0.8 -12.3 211 71 B P - 0 0 14 0, 0.0 -30,-0.3 0, 0.0 -56,-0.3 -0.135 51.7-174.3 -56.2 154.0 53.7 4.1 -10.6 212 72 B V E - F 0 180B 0 -32,-3.3 -32,-1.9 -57,-0.1 2,-0.5 -0.794 25.9-117.1-136.8-179.7 52.9 4.4 -6.9 213 73 B V E -DF 150 179B 11 -63,-1.8 -63,-2.1 -2,-0.2 2,-0.4 -0.906 23.7-167.6-130.3 101.3 52.9 7.1 -4.2 214 74 B V E +DF 149 178B 0 -36,-1.8 -36,-2.0 -2,-0.5 2,-0.3 -0.724 26.4 152.6 -86.3 139.7 55.3 6.5 -1.3 215 75 B Q E -DF 148 177B 0 -67,-2.4 -67,-2.7 -2,-0.4 2,-0.4 -0.946 42.3-117.8-157.9 175.8 54.7 8.9 1.6 216 76 B V E -DF 147 176B 0 -40,-2.2 -41,-2.0 -2,-0.3 -40,-0.8 -0.992 19.6-161.5-129.1 122.3 54.8 9.6 5.3 217 77 B L E -DF 146 174B 0 -71,-1.7 -71,-1.8 -2,-0.4 2,-0.3 -0.803 14.0-167.9 -99.4 143.0 51.7 10.2 7.5 218 78 B E E +DF 145 173B 27 -45,-2.2 -45,-2.6 -2,-0.3 2,-0.2 -0.933 29.4 82.3-132.8 157.2 52.2 11.9 10.8 219 79 B G E > S-D 144 0B 14 -75,-1.0 3,-2.1 -2,-0.3 -75,-2.0 -0.704 78.9 -18.1 137.6 171.0 50.1 12.4 13.9 220 80 B E E 3 S-D 143 0B 102 1,-0.3 -77,-0.3 -77,-0.3 5,-0.1 -0.198 129.2 -15.1 -49.4 124.6 48.8 10.8 17.1 221 81 B N T 3> S+ 0 0 61 -79,-2.7 4,-3.4 3,-0.1 5,-0.3 0.772 84.3 167.7 46.0 37.5 49.3 7.0 16.9 222 82 B A H <> + 0 0 0 -3,-2.1 4,-3.6 -78,-0.4 5,-0.3 0.884 68.1 53.2 -41.3 -60.9 49.8 7.3 13.2 223 83 B I H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 118.5 35.4 -45.6 -54.0 51.2 3.7 12.7 224 84 B A H > S+ 0 0 46 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.959 116.3 52.7 -68.1 -51.7 48.1 2.2 14.4 225 85 B A H X S+ 0 0 25 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.913 109.7 52.0 -46.7 -49.3 45.6 4.7 13.1 226 86 B N H X S+ 0 0 0 -4,-3.6 4,-2.4 -5,-0.3 -1,-0.2 0.914 105.8 52.7 -55.1 -49.6 46.9 4.0 9.6 227 87 B R H X S+ 0 0 73 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.880 112.5 46.5 -57.1 -38.9 46.4 0.2 10.1 228 88 B D H < S+ 0 0 100 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.949 111.7 48.5 -69.2 -49.9 42.8 0.8 11.1 229 89 B L H < S+ 0 0 45 -4,-3.0 14,-2.2 1,-0.2 -2,-0.2 0.817 114.4 49.1 -60.0 -30.5 42.0 3.2 8.3 230 90 B M H < S- 0 0 5 -4,-2.4 14,-2.5 -5,-0.2 15,-0.2 0.895 98.3-153.4 -77.1 -41.8 43.6 0.7 5.8 231 91 B G < - 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0 0 13 -4,-0.8 6,-0.2 -5,-0.3 3,-0.1 -0.690 39.8-173.1-107.4 157.4 40.8 -3.3 -3.4 249 109 B Q - 0 0 138 4,-1.6 2,-0.2 -2,-0.3 -1,-0.1 0.844 64.8 -4.9-102.8 -69.9 40.3 -6.6 -5.3 250 110 B S S S- 0 0 50 3,-0.3 -1,-0.2 -15,-0.1 0, 0.0 -0.459 78.9 -83.8-119.2-169.2 42.7 -9.3 -4.1 251 111 B I S > S+ 0 0 21 1,-0.2 3,-0.6 -2,-0.2 298,-0.0 0.951 127.7 40.1 -64.4 -51.0 45.5 -9.9 -1.7 252 112 B D T 3 S+ 0 0 44 1,-0.3 2,-1.1 -18,-0.0 -1,-0.2 0.928 115.6 54.2 -65.0 -44.4 48.2 -8.7 -4.1 253 113 B A T 3 S+ 0 0 17 -101,-0.1 -4,-1.6 -100,-0.1 2,-0.5 -0.375 71.1 146.0 -91.2 58.5 46.1 -5.8 -5.3 254 114 B N < - 0 0 0 -2,-1.1 -103,-0.2 -3,-0.6 -100,-0.2 -0.819 56.5-120.1 -94.3 130.1 45.2 -4.1 -2.0 255 115 B A S S+ 0 0 0 -2,-0.5 -104,-2.8 -11,-0.2 -101,-0.4 0.786 81.4 12.3 -32.8 -51.5 44.9 -0.3 -2.4 256 116 B V E -E 150 0B 0 -106,-0.2 2,-0.3 -26,-0.1 -106,-0.2 -0.607 56.0-133.5-130.1-175.9 47.6 0.5 0.1 257 117 B H E +E 149 0B 21 -108,-1.2 -108,-1.6 -2,-0.2 2,-0.3 -0.980 19.4 179.1-136.8 146.6 50.5 -0.3 2.4 258 118 B G E -E 148 0B 10 -2,-0.3 -110,-0.2 -110,-0.2 7,-0.0 -0.981 36.6-103.9-151.9 136.9 51.2 0.6 5.9 259 119 B S - 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0 0 1 -2,-0.6 2,-0.2 28,-0.4 28,-0.1 -0.434 11.7-137.1 -70.9 137.4 61.0 25.4 -1.5 324 43 C S > - 0 0 46 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.532 28.5-107.4 -87.3 160.6 64.1 27.5 -0.7 325 44 C Q H > S+ 0 0 91 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.901 123.8 57.3 -52.9 -39.5 64.2 31.3 -1.5 326 45 C E H > S+ 0 0 149 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 111.4 39.9 -55.6 -52.7 66.6 30.3 -4.3 327 46 C Q H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.942 116.8 48.5 -63.7 -50.5 64.0 27.9 -5.9 328 47 C A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.924 112.5 49.1 -57.1 -47.4 61.0 30.1 -5.3 329 48 C E H < S+ 0 0 79 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.906 111.6 48.5 -59.9 -44.2 62.8 33.1 -6.8 330 49 C G H >< S+ 0 0 29 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.817 109.4 52.3 -67.2 -31.8 63.9 31.2 -9.9 331 50 C F H 3< S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.812 113.9 43.9 -72.7 -32.5 60.4 29.8 -10.5 332 51 C Y T >< S+ 0 0 15 -4,-1.6 3,-0.6 -5,-0.2 -1,-0.2 -0.218 74.1 130.5-106.5 40.3 58.9 33.4 -10.4 333 52 C A G X + 0 0 49 -3,-0.9 3,-3.2 1,-0.2 4,-0.2 0.927 64.0 63.1 -58.1 -50.5 61.6 35.0 -12.5 334 53 C E G 3 S+ 0 0 88 1,-0.3 3,-0.3 -3,-0.3 -1,-0.2 0.819 107.2 45.8 -44.5 -37.4 59.2 36.8 -14.8 335 54 C H G X S+ 0 0 59 -3,-0.6 3,-1.3 1,-0.2 -1,-0.3 0.052 79.0 121.9 -97.3 24.8 57.9 38.7 -11.7 336 55 C K T < S+ 0 0 155 -3,-3.2 -1,-0.2 1,-0.3 6,-0.1 0.937 79.1 33.8 -53.6 -59.0 61.4 39.5 -10.5 337 56 C E T 3 S+ 0 0 177 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.194 95.8 113.2 -87.7 20.1 61.2 43.3 -10.4 338 57 C R S X S- 0 0 111 -3,-1.3 3,-0.6 1,-0.1 4,-0.4 -0.505 73.4-124.6 -85.4 157.3 57.5 43.3 -9.5 339 58 C P T 3 S+ 0 0 121 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.848 109.6 53.7 -71.6 -35.6 56.3 44.6 -6.0 340 59 C F T 3> S+ 0 0 83 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.488 85.3 95.0 -78.0 -1.9 54.5 41.4 -5.0 341 60 C F H <> S+ 0 0 36 -3,-0.6 4,-2.3 1,-0.2 5,-0.4 0.963 81.8 46.1 -52.4 -64.7 57.7 39.4 -5.8 342 61 C G H > S+ 0 0 57 -4,-0.4 4,-1.1 -3,-0.3 -1,-0.2 0.759 120.5 39.4 -52.9 -31.3 59.1 39.3 -2.2 343 62 C D H > S+ 0 0 71 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.719 110.5 57.1 -92.0 -25.0 55.7 38.4 -0.7 344 63 C L H X S+ 0 0 29 -4,-2.5 4,-1.3 -3,-0.4 -2,-0.2 0.872 116.9 37.3 -70.2 -37.2 54.7 36.0 -3.5 345 64 C V H X S+ 0 0 4 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.835 110.3 61.7 -80.3 -38.9 57.9 34.1 -2.8 346 65 C G H < S+ 0 0 31 -4,-1.1 4,-0.3 -5,-0.4 3,-0.3 0.883 110.3 40.7 -56.0 -40.0 57.7 34.7 1.0 347 66 C F H >< S+ 0 0 41 -4,-1.7 3,-1.1 2,-0.2 4,-0.4 0.893 110.0 56.1 -75.2 -43.3 54.4 32.7 1.1 348 67 C M H 3< S+ 0 0 1 -4,-1.3 -25,-0.4 1,-0.3 -1,-0.2 0.599 114.7 43.3 -65.6 -7.9 55.5 30.1 -1.4 349 68 C T T 3< S+ 0 0 25 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.445 86.9 92.2-111.6 -10.2 58.4 29.6 1.2 350 69 C S S < S- 0 0 72 -3,-1.1 -2,-0.1 -4,-0.3 -3,-0.1 0.629 102.3 -24.2 -62.9 -14.8 56.3 29.7 4.3 351 70 C G S S- 0 0 7 -4,-0.4 -28,-0.4 -28,-0.1 -57,-0.1 -0.989 88.4 -43.8-177.6-179.7 55.8 26.0 4.3 352 71 C P - 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0 0 149 -3,-1.4 3,-1.2 1,-0.1 4,-0.3 -0.415 68.7-123.7 -76.5 151.5 65.7 -27.9 1.4 480 58 D P T > S+ 0 0 122 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.845 106.9 51.9 -57.9 -44.8 67.1 -31.2 2.9 481 59 D F T 3> S+ 0 0 85 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.400 82.9 100.9 -77.6 5.5 64.4 -31.9 5.5 482 60 D F H <> S+ 0 0 28 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 0.941 76.0 52.6 -55.4 -54.2 61.7 -31.5 2.8 483 61 D G H <> S+ 0 0 53 -3,-0.6 4,-2.3 -4,-0.3 -1,-0.2 0.886 113.9 42.3 -49.6 -47.9 61.2 -35.2 2.2 484 62 D D H > S+ 0 0 117 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.900 111.3 57.0 -66.7 -41.8 60.6 -35.9 5.9 485 63 D L H X S+ 0 0 22 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.870 112.3 40.5 -57.8 -40.5 58.4 -32.7 6.2 486 64 D V H X S+ 0 0 6 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.956 113.6 52.1 -74.5 -51.2 56.1 -33.9 3.4 487 65 D G H >X S+ 0 0 36 -4,-2.3 3,-0.9 -5,-0.2 4,-0.6 0.903 112.3 47.1 -50.2 -47.0 55.9 -37.6 4.5 488 66 D F H >< S+ 0 0 29 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.942 107.2 53.6 -62.5 -50.8 55.0 -36.5 8.0 489 67 D M H 3< S+ 0 0 0 -4,-1.7 -25,-0.5 1,-0.3 -1,-0.3 0.544 116.4 43.4 -63.5 -2.9 52.3 -34.1 7.0 490 68 D T H << S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.448 87.7 90.1-117.4 -8.0 50.9 -37.0 5.1 491 69 D S S << S- 0 0 82 -3,-1.6 -2,-0.1 -4,-0.6 -3,-0.1 0.236 103.4 -5.3 -75.3 14.1 51.4 -39.7 7.8 492 70 D G S S- 0 0 9 -28,-0.1 -28,-0.4 -3,-0.1 -57,-0.1 -0.883 88.7 -69.2 168.8 161.2 47.9 -38.9 9.2 493 71 D P - 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0 0 39 1,-0.1 5,-0.2 5,-0.1 6,-0.2 -0.208 66.3-131.9 -50.7 123.6 58.9 -22.0 19.8 515 93 D T S S+ 0 0 84 4,-0.1 -1,-0.1 2,-0.0 23,-0.1 0.849 96.2 70.9 -43.0 -43.9 58.6 -24.0 16.6 516 94 D N S > S- 0 0 24 1,-0.1 3,-1.0 3,-0.1 17,-0.1 -0.703 74.4-157.2 -82.3 118.9 61.1 -26.5 18.1 517 95 D P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.867 86.2 60.5 -64.2 -41.7 59.4 -28.4 20.9 518 96 D K G 3 S+ 0 0 137 1,-0.3 9,-0.1 13,-0.1 14,-0.1 0.482 119.9 30.4 -69.6 1.1 62.5 -29.5 22.9 519 97 D E G < S+ 0 0 137 -3,-1.0 -1,-0.3 -5,-0.2 2,-0.2 0.185 92.1 119.4-139.2 10.5 63.3 -25.8 23.4 520 98 D A S < S- 0 0 14 -3,-1.3 3,-0.1 6,-0.2 -7,-0.1 -0.555 75.4 -96.3 -79.3 145.6 59.8 -24.3 23.3 521 99 D E > - 0 0 120 -2,-0.2 3,-1.4 1,-0.1 6,-0.3 -0.346 45.1-101.8 -63.3 140.6 58.8 -22.5 26.5 522 100 D A T 3 S+ 0 0 83 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.335 105.8 37.3 -64.2 141.9 56.8 -24.6 29.0 523 101 D G T 3 S+ 0 0 53 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.297 93.1 110.8 99.4 -8.5 53.0 -23.9 29.0 524 102 D T S X> S- 0 0 9 -3,-1.4 4,-1.8 1,-0.1 3,-0.8 -0.615 80.7-108.9 -98.1 160.2 52.8 -23.4 25.2 525 103 D I H 3> S+ 0 0 0 -14,-2.4 4,-1.6 1,-0.2 3,-0.2 0.898 116.8 47.9 -52.8 -49.4 51.1 -25.7 22.7 526 104 D R H 3> S+ 0 0 16 -14,-2.4 4,-0.6 -15,-0.3 -1,-0.2 0.699 113.5 47.7 -69.2 -19.2 54.4 -27.0 21.1 527 105 D A H <4 S+ 0 0 34 -3,-0.8 -1,-0.2 -6,-0.3 -2,-0.2 0.729 116.4 42.6 -91.6 -24.5 56.0 -27.7 24.5 528 106 D D H < S+ 0 0 71 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.620 128.1 24.0 -95.9 -15.6 53.0 -29.6 25.9 529 107 D Y H < S+ 0 0 32 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.392 99.4 91.4-132.4 6.2 52.1 -31.6 22.8 530 108 D A < - 0 0 17 -4,-0.6 6,-0.2 -5,-0.2 3,-0.1 -0.830 42.9-167.8-114.9 148.5 55.1 -32.1 20.6 531 109 D Q - 0 0 139 4,-1.6 2,-0.2 -2,-0.3 -1,-0.2 0.943 69.4 -8.7 -86.1 -73.5 57.9 -34.7 20.3 532 110 D S S S- 0 0 37 3,-0.3 -1,-0.3 -15,-0.1 0, 0.0 -0.672 79.9 -83.7-123.7 177.7 60.6 -33.3 18.0 533 111 D I S S+ 0 0 91 1,-0.2 3,-0.3 -2,-0.2 -1,-0.0 0.845 128.4 41.4 -49.8 -41.9 61.3 -30.3 15.7 534 112 D D S S+ 0 0 76 1,-0.2 2,-1.1 -18,-0.0 -1,-0.2 0.893 112.4 55.2 -76.1 -40.8 59.5 -32.0 12.8 535 113 D A S S+ 0 0 11 -101,-0.1 -4,-1.6 -100,-0.0 2,-0.4 -0.552 73.2 150.5 -95.9 69.5 56.6 -33.4 14.8 536 114 D N - 0 0 5 -2,-1.1 -103,-0.3 -3,-0.3 -100,-0.2 -0.841 53.1-116.6-103.7 139.3 55.2 -30.3 16.5 537 115 D A S S+ 0 0 0 -2,-0.4 -104,-1.7 -12,-0.2 -101,-0.3 0.750 82.1 10.8 -39.2 -46.0 51.5 -30.0 17.4 538 116 D V E -L 432 0C 0 -106,-0.2 2,-0.3 -23,-0.1 -106,-0.2 -0.688 53.6-136.4-135.4-175.3 50.5 -27.1 15.2 539 117 D H E +L 431 0C 22 -108,-0.9 -108,-1.2 -2,-0.2 2,-0.3 -0.980 20.3 180.0-140.2 148.8 51.2 -24.6 12.4 540 118 D G E -L 430 0C 11 -2,-0.3 -110,-0.2 -110,-0.2 -35,-0.0 -0.976 32.8-107.6-156.3 139.3 50.6 -20.9 12.2 541 119 D S - 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