==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-SEP-10 3OT5 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 1497 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1094 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 214 14.3 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 . 4 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 . 111 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 551 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 7 2 9 0 1 12 4 8 4 5 3 6 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 18 15 4 0 4 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 4 4 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 A A 0 0 146 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.0 42.2 -39.6 -5.6 2 3 A K - 0 0 94 30,-0.0 2,-0.8 1,-0.0 30,-0.2 -0.490 360.0-106.7 -94.9 167.8 41.0 -36.7 -3.4 3 4 A I E -a 32 0A 7 28,-3.0 30,-2.3 -2,-0.2 2,-0.8 -0.869 36.8-146.8 -92.1 110.4 39.5 -33.4 -4.4 4 5 A K E -a 33 0A 28 -2,-0.8 84,-1.8 28,-0.2 83,-1.6 -0.768 17.4-170.3 -87.0 112.1 42.4 -31.0 -3.5 5 6 A V E -ab 34 88A 0 28,-2.9 30,-3.0 -2,-0.8 2,-0.6 -0.911 9.6-160.4-107.6 124.8 40.9 -27.7 -2.4 6 7 A M E -ab 35 89A 0 82,-2.8 84,-3.1 -2,-0.5 2,-0.5 -0.923 8.4-162.6-105.6 114.9 43.1 -24.7 -1.9 7 8 A S E -ab 36 90A 0 28,-2.3 30,-2.4 -2,-0.6 2,-0.5 -0.880 5.1-160.9-102.6 123.5 41.4 -22.1 0.3 8 9 A I E +a 37 0A 0 82,-2.7 84,-0.4 -2,-0.5 2,-0.4 -0.898 15.7 166.3-109.1 127.6 42.9 -18.7 0.1 9 10 A F E +a 38 0A 0 28,-1.9 30,-1.8 -2,-0.5 31,-0.1 -0.998 14.1 174.0-140.6 139.8 42.4 -16.0 2.7 10 11 A G + 0 0 6 -2,-0.4 2,-0.3 28,-0.2 -1,-0.1 0.375 62.5 47.0-123.8 1.5 44.2 -12.7 3.3 11 12 A T S > S- 0 0 54 29,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.927 81.0-109.8-139.4 166.4 42.4 -10.8 6.1 12 13 A R H > S+ 0 0 89 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.936 118.5 49.9 -63.7 -47.8 41.0 -11.6 9.6 13 14 A P H > S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.900 111.8 48.5 -59.2 -39.3 37.4 -11.3 8.4 14 15 A E H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.908 108.5 55.8 -63.7 -39.9 38.1 -13.6 5.5 15 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 108.4 46.6 -57.1 -44.9 39.8 -16.0 7.9 16 17 A I H < S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.853 116.7 43.7 -66.6 -37.8 36.7 -16.1 10.1 17 18 A K H < S+ 0 0 35 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.709 120.3 40.6 -81.0 -24.1 34.4 -16.7 7.0 18 19 A M H >X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.1 3,-0.6 0.753 98.2 75.1 -94.5 -29.3 36.7 -19.3 5.3 19 20 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.900 93.4 52.6 -48.9 -50.2 37.7 -21.2 8.5 20 21 A P H 3> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.856 109.6 49.9 -56.4 -37.3 34.3 -23.0 8.8 21 22 A L H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.910 110.3 49.7 -67.5 -42.5 34.6 -24.1 5.2 22 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.937 110.5 50.9 -62.4 -44.9 38.1 -25.4 5.9 23 24 A L H X S+ 0 0 34 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.930 108.2 52.1 -55.3 -49.4 36.8 -27.2 8.9 24 25 A A H < S+ 0 0 5 -4,-2.5 3,-0.4 1,-0.2 4,-0.4 0.880 109.9 49.0 -54.7 -42.9 34.0 -28.8 6.8 25 26 A L H >< S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.2 7,-0.3 0.892 109.4 52.4 -63.6 -40.5 36.7 -30.0 4.3 26 27 A E H 3< S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.665 99.8 63.0 -72.1 -15.4 38.7 -31.4 7.2 27 28 A K T 3< S+ 0 0 152 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.621 107.7 45.0 -80.8 -13.4 35.6 -33.4 8.4 28 29 A E X> + 0 0 46 -3,-1.1 4,-2.7 -4,-0.4 3,-1.6 -0.464 63.7 151.6-128.4 62.0 35.6 -35.3 5.1 29 30 A P T 34 + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.652 67.5 70.1 -67.8 -16.0 39.3 -36.3 4.6 30 31 A E T 34 S+ 0 0 137 -3,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.703 116.7 24.1 -71.7 -18.1 38.3 -39.4 2.6 31 32 A T T <4 S+ 0 0 9 -3,-1.6 -28,-3.0 -6,-0.2 2,-0.3 0.756 120.8 51.3-111.0 -43.2 37.1 -37.0 -0.1 32 33 A F E < -a 3 0A 8 -4,-2.7 2,-0.5 -7,-0.3 -28,-0.2 -0.770 49.7-160.1-111.8 151.3 39.1 -33.8 0.3 33 34 A E E -a 4 0A 94 -30,-2.3 -28,-2.9 -2,-0.3 2,-0.6 -0.992 25.7-150.2-119.0 119.0 42.6 -32.7 0.7 34 35 A S E -a 5 0A 23 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.873 15.9-177.5-101.5 121.5 42.7 -29.2 2.2 35 36 A T E -a 6 0A 3 -30,-3.0 -28,-2.3 -2,-0.6 2,-0.6 -0.968 10.9-160.1-116.0 117.0 45.5 -26.7 1.4 36 37 A V E -a 7 0A 0 -2,-0.5 19,-2.3 16,-0.3 18,-1.8 -0.882 6.7-170.8-102.6 124.9 45.3 -23.4 3.3 37 38 A V E -ac 8 55A 0 -30,-2.4 -28,-1.9 -2,-0.6 2,-0.4 -0.963 7.2-154.6-117.7 122.8 47.2 -20.5 1.8 38 39 A I E +ac 9 56A 1 17,-3.2 19,-2.9 -2,-0.5 -28,-0.2 -0.815 18.6 171.5-100.2 137.9 47.6 -17.3 3.7 39 40 A T 0 0 0 -30,-1.8 19,-0.1 -2,-0.4 58,-0.1 -0.533 360.0 360.0-140.8 63.9 48.2 -13.9 1.9 40 41 A A 0 0 56 17,-0.4 19,-0.1 -31,-0.1 -29,-0.1 -0.771 360.0 360.0 -89.8 360.0 47.9 -11.4 4.7 41 ! 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 42 47 A L > 0 0 54 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 7.1 45.1 -13.6 11.9 43 48 A D H > + 0 0 105 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.660 360.0 64.6 -69.8 -15.2 46.9 -16.5 13.6 44 49 A Q H > S+ 0 0 90 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 102.2 47.8 -72.6 -39.5 44.4 -16.1 16.6 45 50 A V H > S+ 0 0 0 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.879 109.8 51.9 -67.5 -40.7 41.5 -17.1 14.3 46 51 A L H <>S+ 0 0 5 -4,-1.4 5,-2.8 1,-0.2 4,-0.4 0.851 106.7 54.2 -66.3 -33.6 43.3 -20.1 13.0 47 52 A E H <5S+ 0 0 159 -4,-1.3 3,-0.5 3,-0.2 -1,-0.2 0.886 106.4 52.4 -67.1 -38.5 44.1 -21.3 16.5 48 53 A I H <5S+ 0 0 69 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.0 37.5 -62.3 -44.7 40.4 -21.1 17.4 49 54 A F T <5S- 0 0 5 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.422 111.0-124.3 -86.3 0.5 39.5 -23.3 14.4 50 55 A D T 5 + 0 0 109 -3,-0.5 2,-0.5 -4,-0.4 -3,-0.2 0.973 53.5 160.6 51.2 60.5 42.6 -25.4 14.9 51 56 A I < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.0 -2,-0.1 -0.956 32.1-156.9-118.7 113.8 43.8 -24.7 11.3 52 57 A K - 0 0 157 -2,-0.5 -16,-0.3 -5,-0.0 2,-0.2 -0.809 23.2-133.5 -87.9 117.2 47.4 -25.2 10.4 53 58 A P - 0 0 52 0, 0.0 -16,-0.2 0, 0.0 3,-0.1 -0.552 11.0-156.4 -72.7 139.1 48.0 -23.0 7.4 54 59 A D S S+ 0 0 95 -18,-1.8 2,-0.4 1,-0.3 -17,-0.2 0.875 76.3 22.2 -82.5 -40.2 50.0 -24.9 4.6 55 60 A I E -c 37 0A 35 -19,-2.3 -17,-3.2 2,-0.0 2,-0.5 -0.993 62.6-167.6-132.4 135.5 51.5 -21.9 2.8 56 61 A D E -c 38 0A 99 -2,-0.4 2,-0.6 -19,-0.2 -17,-0.2 -0.917 5.3-165.5-128.0 104.4 52.1 -18.5 4.2 57 62 A L - 0 0 37 -19,-2.9 2,-1.6 -2,-0.5 -17,-0.4 -0.795 14.1-145.8 -91.3 122.0 53.0 -15.8 1.6 58 63 A D + 0 0 139 -2,-0.6 2,-0.5 -19,-0.1 -19,-0.1 -0.611 29.5 172.7 -89.0 79.6 54.4 -12.6 3.3 59 64 A I 0 0 28 -2,-1.6 10,-0.1 1,-0.2 -2,-0.0 -0.782 360.0 360.0 -91.6 127.9 53.0 -10.0 0.9 60 65 A M 0 0 100 -2,-0.5 4,-0.2 3,-0.0 -1,-0.2 0.899 360.0 360.0 -94.0 360.0 53.6 -6.4 2.0 61 ! 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 62 67 A K 0 0 200 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 49.5 52.9 -1.8 3.8 63 68 A G + 0 0 76 2,-0.0 2,-0.4 0, 0.0 -3,-0.0 -0.413 360.0 138.8-101.2 52.9 53.1 1.4 1.7 64 69 A Q - 0 0 60 -2,-0.4 2,-0.0 -4,-0.2 0, 0.0 -0.813 50.7-124.5-105.3 141.5 52.2 -0.6 -1.5 65 70 A T > - 0 0 76 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.200 29.5-106.2 -73.7 171.9 49.9 0.6 -4.2 66 71 A L H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.875 121.4 54.6 -66.3 -38.6 46.9 -1.4 -5.4 67 72 A A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.4 46.3 -62.0 -39.9 48.7 -2.3 -8.5 68 73 A E H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.871 110.3 50.9 -72.9 -39.5 51.6 -3.7 -6.5 69 74 A I H X S+ 0 0 47 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.927 112.6 48.7 -61.9 -45.9 49.5 -5.7 -4.1 70 75 A T H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.934 112.9 45.8 -61.4 -49.7 47.7 -7.2 -7.0 71 76 A S H X S+ 0 0 41 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.931 113.2 50.0 -62.4 -44.5 50.8 -8.2 -8.8 72 77 A R H X S+ 0 0 109 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.912 115.3 42.5 -60.3 -44.5 52.5 -9.6 -5.7 73 78 A V H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.876 115.4 49.8 -68.5 -40.8 49.5 -11.7 -4.8 74 79 A M H X S+ 0 0 37 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.913 115.2 41.9 -66.1 -45.9 48.9 -12.9 -8.4 75 80 A N H X S+ 0 0 99 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.875 117.0 49.7 -69.4 -36.4 52.5 -13.9 -8.9 76 81 A G H X S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.964 115.6 41.0 -65.1 -54.2 52.7 -15.5 -5.5 77 82 A I H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.862 109.0 60.7 -64.5 -37.4 49.5 -17.5 -5.9 78 83 A N H X S+ 0 0 54 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.958 110.0 42.7 -52.1 -49.5 50.4 -18.3 -9.5 79 84 A E H X S+ 0 0 142 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.902 113.9 50.2 -65.5 -42.9 53.5 -20.1 -8.2 80 85 A V H X S+ 0 0 12 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.930 114.2 44.9 -63.2 -44.0 51.7 -21.7 -5.3 81 86 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.926 109.6 54.7 -65.7 -46.1 49.0 -23.1 -7.6 82 87 A A H < S+ 0 0 56 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.880 117.2 37.6 -54.1 -42.1 51.5 -24.3 -10.2 83 88 A A H < S+ 0 0 81 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.950 121.3 40.8 -76.5 -54.4 53.3 -26.3 -7.6 84 89 A E H < S- 0 0 68 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.787 87.5-157.1 -66.0 -30.2 50.5 -27.6 -5.4 85 90 A N < - 0 0 100 -4,-2.8 -81,-0.1 -5,-0.3 -3,-0.1 0.914 17.0-170.3 50.0 55.3 48.2 -28.3 -8.5 86 91 A P - 0 0 0 0, 0.0 -81,-0.2 0, 0.0 25,-0.2 -0.356 29.1-133.0 -71.4 157.2 44.9 -28.2 -6.6 87 92 A D S S+ 0 0 61 -83,-1.6 24,-1.1 1,-0.3 2,-0.3 0.769 89.9 11.4 -77.4 -28.5 41.7 -29.2 -8.3 88 93 A I E -bd 5 111A 0 -84,-1.8 -82,-2.8 22,-0.2 2,-0.4 -0.991 62.4-151.6-154.9 142.7 40.0 -26.1 -7.1 89 94 A V E -bd 6 112A 0 22,-2.5 24,-3.1 -2,-0.3 2,-0.5 -0.951 13.2-152.7-115.8 134.2 40.9 -22.8 -5.5 90 95 A L E +bd 7 113A 0 -84,-3.1 -82,-2.7 -2,-0.4 2,-0.3 -0.945 14.3 179.9-113.0 123.3 38.4 -21.0 -3.3 91 96 A V E - d 0 114A 0 22,-2.3 24,-2.9 -2,-0.5 2,-0.4 -0.849 20.0-130.4-116.1 154.1 38.6 -17.3 -3.0 92 97 A H E > - d 0 115A 8 -84,-0.4 3,-0.8 -2,-0.3 6,-0.2 -0.894 40.9 -53.7-117.3 140.4 36.3 -15.2 -0.8 93 98 A G T 3 S- 0 0 1 22,-2.9 25,-0.1 -2,-0.4 44,-0.1 0.006 92.3 -36.2 48.3-129.9 34.3 -12.1 -1.4 94 99 A D T 3 S+ 0 0 34 4,-0.1 39,-0.2 23,-0.1 40,-0.2 0.165 82.1 127.6-123.5 17.9 35.6 -8.9 -2.8 95 100 A T <> - 0 0 26 -3,-0.8 4,-1.7 1,-0.1 5,-0.1 -0.335 66.4-118.3 -73.5 161.5 39.2 -8.3 -1.5 96 101 A T H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 114.9 58.7 -66.1 -34.3 42.0 -7.6 -3.8 97 102 A T H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 105.2 49.8 -61.5 -43.5 43.7 -10.7 -2.7 98 103 A S H > S+ 0 0 1 -6,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 112.0 46.6 -63.5 -42.0 40.8 -12.9 -3.8 99 104 A F H X S+ 0 0 31 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.947 114.4 47.4 -64.8 -47.4 40.6 -11.3 -7.2 100 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.886 113.8 46.5 -61.4 -43.2 44.3 -11.7 -7.7 101 106 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.848 111.0 54.9 -67.9 -34.0 44.4 -15.3 -6.5 102 107 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.934 107.8 48.1 -64.1 -45.9 41.3 -15.9 -8.7 103 108 A L H X S+ 0 0 28 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.893 110.7 49.9 -63.0 -41.6 43.2 -14.6 -11.7 104 109 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.880 109.0 54.9 -64.9 -33.8 46.2 -16.7 -11.0 105 110 A T H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.919 109.9 45.5 -62.9 -43.5 43.8 -19.6 -10.6 106 111 A F H ><5S+ 0 0 117 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.925 110.3 52.8 -66.6 -45.2 42.5 -18.9 -14.2 107 112 A Y H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.888 110.9 48.4 -58.6 -34.1 46.0 -18.5 -15.5 108 113 A Q T 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.361 112.7-124.5 -86.1 6.2 46.8 -21.9 -14.1 109 114 A Q T < 5 + 0 0 169 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.869 60.8 144.2 49.5 45.8 43.6 -23.3 -15.6 110 115 A K < - 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0 0 43 -3,-0.5 4,-2.1 1,-0.1 3,-0.9 -0.538 57.2-136.2 -70.6 122.5 17.4 10.0 15.3 319 324 A K H 3> S+ 0 0 49 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.840 103.1 52.3 -44.3 -45.3 17.6 9.9 19.1 320 325 A E H 3> S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.869 109.8 48.9 -65.4 -33.4 13.8 9.7 19.5 321 326 A N H <> S+ 0 0 23 -3,-0.9 4,-2.1 2,-0.2 5,-0.3 0.850 108.2 53.8 -76.2 -34.7 13.6 6.7 17.1 322 327 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.967 113.5 43.1 -60.0 -51.8 16.5 4.9 19.0 323 328 A I H X S+ 0 0 22 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.946 115.4 47.3 -58.8 -55.6 14.6 5.2 22.3 324 329 A K H X S+ 0 0 134 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.946 116.2 43.2 -52.5 -54.4 11.1 4.3 20.9 325 330 A E H X S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.862 115.8 49.0 -64.7 -37.3 12.3 1.3 19.0 326 331 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.966 112.0 47.4 -65.4 -53.2 14.6 0.1 21.9 327 332 A L H X S+ 0 0 33 -4,-3.3 4,-3.6 1,-0.2 5,-0.4 0.900 106.7 59.2 -55.2 -43.6 11.8 0.5 24.5 328 333 A D H X S+ 0 0 44 -4,-2.6 4,-1.9 -5,-0.3 7,-0.2 0.941 111.3 40.5 -48.9 -54.2 9.4 -1.4 22.2 329 334 A L H < S+ 0 0 0 -4,-1.7 7,-0.2 1,-0.2 -1,-0.2 0.865 117.5 48.4 -65.1 -39.6 11.7 -4.4 22.2 330 335 A L H < S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 119.0 37.3 -69.9 -37.0 12.5 -4.1 25.9 331 336 A D H < S+ 0 0 78 -4,-3.6 2,-0.6 -5,-0.2 -2,-0.2 0.671 111.6 59.4 -90.5 -20.0 8.8 -3.7 27.1 332 337 A N >X - 0 0 66 -4,-1.9 4,-1.5 -5,-0.4 3,-0.6 -0.872 55.3-175.5-117.8 96.9 7.1 -6.1 24.7 333 338 A K H 3> S+ 0 0 131 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.797 87.1 61.7 -57.5 -30.2 8.4 -9.7 24.9 334 339 A E H 3> S+ 0 0 156 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 104.5 46.2 -64.6 -42.4 6.2 -10.5 21.9 335 340 A S H <> S+ 0 0 23 -3,-0.6 4,-1.4 -7,-0.2 -1,-0.2 0.811 113.0 51.9 -68.8 -31.6 8.1 -8.1 19.7 336 341 A H H X S+ 0 0 17 -4,-1.5 4,-3.6 -7,-0.2 3,-0.4 0.970 111.5 42.4 -70.6 -55.7 11.4 -9.4 20.9 337 342 A D H X S+ 0 0 47 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.783 107.3 64.6 -62.9 -26.8 10.7 -13.1 20.3 338 343 A K H X S+ 0 0 155 -4,-1.3 4,-0.7 -5,-0.2 -1,-0.2 0.941 114.8 30.5 -60.1 -47.0 9.1 -12.1 16.9 339 344 A M H < S+ 0 0 9 -4,-1.4 3,-0.4 -3,-0.4 -2,-0.2 0.893 117.4 58.8 -77.0 -40.1 12.5 -10.9 15.9 340 345 A A H < S+ 0 0 25 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.803 115.5 34.7 -59.2 -33.0 14.4 -13.4 18.0 341 346 A Q H < S+ 0 0 163 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.538 87.9 119.3-101.5 -7.2 12.7 -16.3 16.2 342 347 A A S < S- 0 0 23 -4,-0.7 2,-0.2 -3,-0.4 -32,-0.1 -0.331 77.3 -99.7 -58.8 137.4 12.5 -14.7 12.7 343 348 A A - 0 0 68 -34,-0.2 -32,-0.2 1,-0.1 -1,-0.1 -0.410 32.1-121.7 -64.2 124.6 14.4 -16.8 10.1 344 349 A N > - 0 0 16 -2,-0.2 3,-1.2 -56,-0.2 -1,-0.1 -0.536 20.0-161.3 -69.1 113.3 17.9 -15.4 9.4 345 350 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.620 84.3 63.3 -73.0 -9.7 17.8 -14.8 5.6 346 351 A Y T 3 S- 0 0 4 1,-0.3 -176,-3.1 -61,-0.2 -173,-0.2 0.460 118.9 -49.9 -94.2 -1.1 21.6 -14.7 5.5 347 352 A G < - 0 0 2 -3,-1.2 -1,-0.3 -178,-0.3 -3,-0.1 -0.609 27.4-126.9 145.1 156.1 22.2 -18.3 6.6 348 353 A D - 0 0 71 -2,-0.2 -1,-0.1 -3,-0.1 -179,-0.1 0.319 68.2 -93.9-107.9 1.3 21.4 -21.1 9.1 349 354 A G S S+ 0 0 2 -179,-0.2 3,-0.1 -173,-0.0 -172,-0.1 0.572 108.3 90.8 96.0 11.8 25.1 -21.9 9.9 350 355 A F > + 0 0 97 -182,-0.2 4,-1.7 1,-0.1 5,-0.2 0.015 39.5 117.6-127.6 29.3 25.5 -24.7 7.3 351 356 A A H > S+ 0 0 1 -181,-0.3 4,-2.6 1,-0.2 5,-0.1 0.885 75.5 58.3 -62.4 -37.1 26.7 -22.7 4.3 352 357 A A H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 104.2 50.0 -59.1 -44.4 30.0 -24.7 4.5 353 358 A N H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 111.9 47.5 -63.3 -43.2 28.2 -28.0 4.1 354 359 A R H X S+ 0 0 49 -4,-1.7 4,-2.3 -186,-0.2 -1,-0.2 0.899 110.8 52.7 -65.2 -39.6 26.2 -26.8 1.1 355 360 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.965 112.0 44.7 -60.8 -49.4 29.5 -25.4 -0.4 356 361 A L H X S+ 0 0 5 -4,-2.7 4,-3.6 2,-0.2 5,-0.2 0.910 112.1 51.0 -61.8 -43.9 31.2 -28.8 -0.0 357 362 A A H X S+ 0 0 34 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.900 109.8 52.7 -60.2 -38.5 28.2 -30.7 -1.4 358 363 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.947 112.0 43.9 -61.3 -47.5 28.3 -28.3 -4.3 359 364 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 3,-0.5 0.932 114.6 49.3 -64.7 -44.4 32.0 -29.0 -4.9 360 365 A K H X>S+ 0 0 38 -4,-3.6 4,-3.3 1,-0.2 5,-0.6 0.928 105.6 59.8 -57.8 -45.1 31.4 -32.8 -4.5 361 366 A S H <5S+ 0 0 21 -4,-3.1 4,-0.2 -5,-0.2 -1,-0.2 0.820 109.0 42.9 -50.2 -39.8 28.5 -32.5 -6.9 362 367 A H H <5S+ 0 0 101 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.941 122.5 34.6 -76.2 -48.9 30.9 -31.2 -9.6 363 368 A F H <5S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.850 132.8 25.5 -78.3 -36.9 33.8 -33.6 -9.1 364 369 A E T <5S- 0 0 82 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.377 98.5-130.0-107.0 1.4 32.1 -36.8 -8.1 365 370 A E < + 0 0 171 -5,-0.6 -4,-0.2 -4,-0.2 2,-0.2 0.871 54.4 151.5 49.3 44.7 28.8 -36.0 -9.8 366 371 A T - 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0 0 101 1,-0.1 2,-0.4 3,-0.0 0, 0.0 0.207 360.0-169.9 -28.8 119.4 -0.8 -20.8 -27.9 378 3 B K - 0 0 77 30,-0.0 2,-0.7 31,-0.0 30,-0.2 -0.898 29.7-112.5-116.3 146.2 0.3 -18.0 -25.6 379 4 B I E -l 408 0C 6 28,-2.5 30,-2.4 -2,-0.4 2,-0.8 -0.692 31.4-147.8 -78.4 111.0 -0.6 -14.4 -26.0 380 5 B K E -l 409 0C 56 -2,-0.7 87,-2.3 28,-0.2 88,-1.8 -0.767 17.7-169.2 -86.9 110.9 2.7 -12.6 -26.8 381 6 B V E -lm 410 468C 0 28,-3.4 30,-2.6 -2,-0.8 2,-0.6 -0.893 11.4-163.9-109.2 124.2 2.6 -9.2 -25.3 382 7 B M E -lm 411 469C 0 86,-3.0 88,-2.8 -2,-0.5 2,-0.4 -0.927 9.4-163.4-108.2 113.1 5.2 -6.5 -26.1 383 8 B S E -lm 412 470C 0 28,-2.7 30,-2.8 -2,-0.6 2,-0.4 -0.824 5.3-164.5 -99.7 132.7 5.2 -3.6 -23.6 384 9 B I E +lm 413 471C 0 86,-2.4 88,-0.5 -2,-0.4 2,-0.3 -0.951 20.5 143.5-123.7 134.9 6.9 -0.4 -24.5 385 10 B F E -l 414 0C 0 28,-1.6 30,-1.7 -2,-0.4 31,-0.1 -0.964 20.1-178.5-162.8 151.2 8.0 2.5 -22.4 386 11 B G + 0 0 2 -2,-0.3 31,-0.8 28,-0.2 32,-0.3 0.128 61.3 62.1-145.7 26.4 10.8 5.0 -22.2 387 12 B T S > S- 0 0 27 29,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.983 78.9-113.9-147.8 154.9 10.4 7.4 -19.2 388 13 B R H > S+ 0 0 41 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.919 116.1 51.7 -56.8 -50.8 10.3 7.0 -15.5 389 14 B P H > S+ 0 0 86 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.903 114.6 44.8 -53.9 -39.8 6.7 8.0 -15.2 390 15 B E H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.828 110.6 53.9 -69.7 -37.1 5.8 5.5 -17.9 391 16 B A H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.931 107.4 50.7 -63.4 -45.7 8.0 2.8 -16.3 392 17 B I H < S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.0 42.1 -59.2 -40.9 6.2 3.2 -13.0 393 18 B K H < S+ 0 0 11 -4,-1.5 4,-0.4 -5,-0.2 -1,-0.2 0.826 120.2 41.2 -78.0 -31.2 2.8 2.9 -14.7 394 19 B M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.1 3,-0.2 0.716 97.8 77.4 -88.0 -21.8 3.8 0.0 -17.0 395 20 B A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.1 0.888 93.6 48.2 -56.0 -48.8 5.8 -2.0 -14.4 396 21 B P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.838 112.2 50.8 -62.1 -34.4 2.9 -3.4 -12.6 397 22 B L H > S+ 0 0 0 -4,-0.4 4,-2.2 -3,-0.2 -2,-0.2 0.907 111.7 46.6 -69.5 -41.3 1.3 -4.4 -15.9 398 23 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.939 112.7 51.0 -65.6 -43.8 4.6 -6.1 -16.9 399 24 B L H X S+ 0 0 51 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.958 109.4 49.4 -56.4 -52.5 4.8 -7.8 -13.5 400 25 B A H < S+ 0 0 9 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.886 111.2 50.5 -56.1 -40.8 1.2 -9.1 -13.8 401 26 B L H >< S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.2 7,-0.3 0.910 110.1 49.0 -64.5 -42.2 2.0 -10.4 -17.3 402 27 B E H 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 105.8 59.5 -69.6 -23.0 5.1 -12.3 -16.1 403 28 B K T 3< S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.508 102.9 51.9 -84.5 -5.5 3.2 -13.8 -13.2 404 29 B E X> + 0 0 58 -3,-1.1 4,-2.5 -4,-0.4 3,-1.8 -0.453 65.8 154.4-124.8 58.9 0.7 -15.5 -15.6 405 30 B P T 34 + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.667 66.1 65.6 -62.9 -19.1 3.3 -17.3 -17.8 406 31 B E T 34 S+ 0 0 158 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.689 117.1 26.9 -76.7 -16.1 0.8 -20.1 -18.8 407 32 B T T <4 S+ 0 0 20 -3,-1.8 -28,-2.5 1,-0.2 2,-0.3 0.731 123.6 39.2-111.5 -37.9 -1.3 -17.4 -20.6 408 33 B F E < -l 379 0C 5 -4,-2.5 2,-0.4 -7,-0.3 -28,-0.2 -0.835 51.9-155.4-120.5 158.7 1.1 -14.7 -21.6 409 34 B E E -l 380 0C 94 -30,-2.4 -28,-3.4 -2,-0.3 2,-0.5 -0.999 26.4-151.5-125.5 123.9 4.6 -14.2 -22.9 410 35 B S E +l 381 0C 25 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.884 17.7 179.1-109.4 131.1 6.0 -10.8 -22.0 411 36 B T E -l 382 0C 14 -30,-2.6 -28,-2.7 -2,-0.5 2,-0.5 -0.992 13.5-156.3-125.6 131.0 8.6 -8.9 -24.0 412 37 B V E -l 383 0C 0 -2,-0.4 23,-2.1 20,-0.2 22,-1.6 -0.953 6.3-169.1-114.9 125.6 9.7 -5.5 -22.7 413 38 B V E -ln 384 435C 0 -30,-2.8 -28,-1.6 -2,-0.5 2,-0.4 -0.970 8.7-153.3-116.9 124.0 11.1 -2.9 -25.0 414 39 B I E +ln 385 436C 0 21,-3.3 23,-3.2 -2,-0.5 -28,-0.2 -0.842 16.1 178.6-100.1 131.4 12.8 0.3 -23.6 415 40 B T + 0 0 0 -30,-1.7 2,-0.5 -2,-0.4 -29,-0.1 -0.521 24.3 164.2-126.7 60.7 12.9 3.5 -25.6 416 41 B A - 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0 0 39 -34,-0.1 6,-0.3 2,-0.1 -1,-0.1 -0.416 22.5-112.2 -76.8 156.9 26.1 23.3 38.7 995 242 C L S S+ 0 0 92 -2,-0.1 5,-0.3 4,-0.1 -1,-0.1 0.973 83.2 104.9 -53.7 -69.4 23.1 23.7 36.4 996 243 C N >> - 0 0 81 1,-0.1 4,-1.2 3,-0.1 3,-1.2 0.211 68.9-140.7 -20.7 108.8 23.3 20.4 34.4 997 244 C P H 3> S+ 0 0 108 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.775 97.9 59.3 -49.0 -38.7 20.5 18.2 35.9 998 245 C A H 3> S+ 0 0 55 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.850 102.4 54.4 -62.9 -35.6 22.6 15.0 35.7 999 246 C V H <> S+ 0 0 10 -3,-1.2 4,-1.9 1,-0.2 3,-0.4 0.938 106.3 49.8 -64.5 -49.5 25.3 16.6 37.9 1000 247 C R H X S+ 0 0 49 -4,-1.2 4,-2.6 -5,-0.3 5,-0.3 0.876 102.2 61.0 -59.1 -40.5 22.9 17.4 40.8 1001 248 C E H X S+ 0 0 141 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.910 108.5 44.7 -54.4 -41.9 21.4 13.9 40.9 1002 249 C K H X>S+ 0 0 35 -4,-1.2 4,-2.9 -3,-0.4 5,-0.5 0.897 111.0 56.1 -67.5 -39.8 24.9 12.7 41.7 1003 250 C A H X>S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.9 0.983 112.3 38.3 -55.3 -65.6 25.3 15.5 44.2 1004 251 C M H X5S+ 0 0 72 -4,-2.6 4,-2.0 3,-0.2 -2,-0.2 0.939 116.5 54.3 -49.9 -53.6 22.2 14.7 46.3 1005 252 C A H <5S+ 0 0 77 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.915 127.7 16.9 -46.4 -56.0 22.8 11.0 45.9 1006 253 C I H <5S+ 0 0 40 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.948 136.9 33.5 -85.9 -55.8 26.4 11.2 47.3 1007 254 C L H < - 0 0 24 -3,-0.4 3,-2.5 3,-0.4 -1,-0.2 -0.976 58.5-145.4-129.7 120.6 24.7 15.3 55.8 1011 258 C E T 3 S+ 0 0 148 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.819 102.4 49.0 -47.8 -39.0 24.5 18.3 58.3 1012 259 C R T 3 S+ 0 0 23 1,-0.1 -23,-2.8 -24,-0.1 2,-0.6 0.340 97.2 81.4 -88.3 8.0 28.0 19.4 57.4 1013 260 C I E < -e 989 0F 13 -3,-2.5 2,-0.8 -25,-0.2 -3,-0.4 -0.936 61.5-166.5-118.6 111.3 27.4 19.3 53.7 1014 261 C H E -e 990 0F 45 -25,-3.4 -23,-1.8 -2,-0.6 2,-0.8 -0.857 0.5-167.4-100.9 107.1 25.6 22.3 52.2 1015 262 C L E +e 991 0F 45 -2,-0.8 2,-0.2 -25,-0.2 -25,-0.1 -0.866 27.8 159.2 -93.7 110.7 24.4 21.7 48.7 1016 263 C I E -e 992 0F 36 -25,-1.5 -23,-2.1 -2,-0.8 3,-0.1 -0.674 41.5 -84.5-128.1-179.2 23.4 25.1 47.4 1017 264 C E - 0 0 122 -25,-0.2 -23,-0.1 -2,-0.2 -1,-0.1 -0.435 67.0 -70.2 -81.5 159.4 22.7 27.1 44.2 1018 265 C P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.261 54.8-127.7 -53.1 131.7 25.6 28.8 42.3 1019 266 C L - 0 0 20 -3,-0.1 2,-0.1 4,-0.1 -3,-0.0 -0.612 20.3-130.0 -83.2 142.5 26.9 31.7 44.3 1020 267 C D > - 0 0 22 -2,-0.3 4,-2.7 4,-0.0 5,-0.3 -0.442 39.5 -76.5 -90.4 165.9 27.1 35.1 42.6 1021 268 C A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.722 127.2 39.8 -23.0 -66.2 30.2 37.5 42.5 1022 269 C I H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.986 120.8 41.6 -55.8 -66.2 29.9 38.9 46.1 1023 270 C D H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.928 112.8 54.3 -46.9 -58.2 28.9 35.7 47.9 1024 271 C F H X S+ 0 0 26 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 110.3 44.2 -48.6 -50.6 31.3 33.5 46.0 1025 272 C H H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.854 114.8 49.6 -66.8 -33.2 34.4 35.6 46.8 1026 273 C N H X S+ 0 0 3 -4,-2.0 4,-1.3 -3,-0.3 -2,-0.2 0.902 111.7 47.6 -71.9 -41.1 33.4 36.0 50.5 1027 274 C F H X S+ 0 0 0 -4,-3.1 4,-0.6 -5,-0.2 3,-0.5 0.923 112.6 51.1 -60.6 -43.5 32.8 32.2 50.8 1028 275 C L H >< S+ 0 0 0 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.916 104.6 56.1 -59.8 -44.6 36.1 31.7 49.2 1029 276 C R H 3< S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 111.5 44.0 -57.9 -30.7 37.8 34.1 51.6 1030 277 C K H 3< S+ 0 0 111 -4,-1.3 -75,-0.5 -3,-0.5 -1,-0.3 0.474 90.3 114.6 -94.2 -3.8 36.6 32.0 54.5 1031 278 C S << - 0 0 9 -3,-1.3 -75,-0.2 -4,-0.6 3,-0.1 -0.416 56.3-154.0 -73.7 142.1 37.5 28.7 53.0 1032 279 C Y S S- 0 0 41 -77,-3.2 2,-0.3 1,-0.4 -76,-0.2 0.823 83.7 -10.9 -79.9 -34.0 40.1 26.5 54.5 1033 280 C L E -d 956 0F 0 -78,-1.6 -76,-1.9 17,-0.1 2,-0.4 -0.974 66.5-141.2-159.6 154.3 40.8 24.9 51.1 1034 281 C V E -df 9571052F 0 17,-2.1 19,-3.6 -2,-0.3 2,-0.5 -0.985 1.2-157.6-128.1 135.1 39.1 24.9 47.7 1035 282 C F E +df 9581053F 0 -78,-2.8 -76,-2.2 -2,-0.4 2,-0.3 -0.953 38.1 147.8-102.8 125.3 38.7 22.2 45.1 1036 283 C T E -df 9591054F 0 17,-2.3 19,-3.1 -2,-0.5 -76,-0.2 -0.994 51.7-162.8-157.8 160.3 38.1 23.7 41.7 1037 284 C D + 0 0 6 -78,-0.7 2,-0.4 -2,-0.3 -77,-0.1 0.047 65.4 117.1-126.5 17.1 38.6 23.4 37.9 1038 285 C S > - 0 0 38 -79,-0.3 4,-1.1 1,-0.1 -79,-0.0 -0.711 60.2-147.6 -89.2 134.0 37.9 27.1 37.5 1039 286 C G H >> S+ 0 0 18 -2,-0.4 4,-0.7 1,-0.2 3,-0.5 0.955 96.5 53.7 -63.9 -49.6 40.6 29.4 36.1 1040 287 C G H >> S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 3,-0.8 0.831 102.8 55.2 -53.9 -42.4 39.5 32.4 38.2 1041 288 C V H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 101.4 58.5 -62.8 -37.8 39.6 30.6 41.6 1042 289 C Q H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.744 115.0 37.7 -64.0 -23.8 43.2 29.6 41.0 1043 290 C E H < S+ 0 0 9 -4,-2.8 3,-0.7 2,-0.2 -3,-0.2 0.934 105.9 57.9 -74.4 -54.0 41.6 34.7 43.4 1045 292 C A G ><>S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 5,-1.9 0.900 104.8 50.9 -45.9 -54.2 42.0 32.2 46.2 1046 293 C P G >45S+ 0 0 12 0, 0.0 3,-1.8 0, 0.0 56,-0.3 0.826 98.8 65.7 -58.1 -32.6 45.8 32.7 46.7 1047 294 C G G <<5S+ 0 0 39 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.442 111.0 38.6 -67.8 0.1 45.3 36.4 46.8 1048 295 C M G < 5S- 0 0 45 -3,-2.2 -1,-0.3 -4,-0.1 -3,-0.1 0.193 121.3-105.4-131.2 9.7 43.4 35.6 50.0 1049 296 C G T < 5S+ 0 0 25 -3,-1.8 -2,-0.1 1,-0.2 -4,-0.1 0.807 70.7 144.4 68.3 33.3 45.7 32.9 51.3 1050 297 C V < - 0 0 5 -5,-1.9 -1,-0.2 -6,-0.1 -17,-0.1 -0.916 48.9-127.8-107.4 114.7 43.4 30.0 50.5 1051 298 C P - 0 0 1 0, 0.0 -17,-2.1 0, 0.0 2,-0.4 -0.315 25.1-151.4 -59.5 140.3 45.0 26.8 49.3 1052 299 C V E -fg10341070F 0 17,-1.4 19,-2.0 -19,-0.2 2,-0.7 -0.962 14.3-160.3-122.9 129.4 43.6 25.5 46.0 1053 300 C L E -fg10351071F 0 -19,-3.6 -17,-2.3 -2,-0.4 2,-0.6 -0.928 21.4-145.6-105.6 112.5 43.4 21.9 44.7 1054 301 C V E -fg10361072F 2 17,-3.0 2,-2.2 -2,-0.7 19,-1.8 -0.718 3.4-145.4 -85.3 116.3 43.0 22.0 40.9 1055 302 C L + 0 0 0 -19,-3.1 2,-0.3 -2,-0.6 20,-0.1 -0.387 66.4 95.0 -79.6 62.6 40.8 19.2 39.6 1056 303 C R - 0 0 22 -2,-2.2 18,-1.6 18,-0.1 -2,-0.1 -0.988 66.8-144.0-152.1 150.7 42.8 18.8 36.4 1057 304 C D S S+ 0 0 122 -2,-0.3 2,-0.3 16,-0.2 -1,-0.1 0.692 94.9 27.8 -85.8 -26.0 45.6 16.7 35.0 1058 305 C T S S- 0 0 72 16,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.916 71.3-171.6-132.3 160.9 46.9 19.6 33.0 1059 306 C T - 0 0 23 -2,-0.3 -181,-0.1 -181,-0.1 13,-0.0 -0.985 32.4-148.0-152.3 155.7 46.8 23.4 33.4 1060 307 C E S S+ 0 0 5 -2,-0.3 -182,-0.5 1,-0.2 3,-0.1 0.154 94.1 73.6-106.8 12.2 47.6 26.7 31.7 1061 308 C R > + 0 0 8 1,-0.1 4,-0.7 -184,-0.1 3,-0.5 -0.559 49.1 147.6-123.4 64.9 48.4 28.2 35.1 1062 309 C P H > + 0 0 40 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.741 60.6 75.6 -72.3 -20.6 51.7 26.6 36.0 1063 310 C E H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 94.0 50.8 -57.0 -45.6 52.8 29.7 37.9 1064 311 C G H >>S+ 0 0 0 -3,-0.5 5,-1.7 2,-0.2 6,-1.7 0.842 110.0 49.6 -61.1 -37.7 50.6 28.8 40.9 1065 312 C I H ><5S+ 0 0 68 -4,-0.7 3,-0.6 -3,-0.2 -2,-0.2 0.955 112.8 47.2 -65.0 -49.6 52.0 25.3 41.0 1066 313 C E H 3<5S+ 0 0 161 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 113.2 48.0 -60.7 -40.0 55.6 26.7 41.0 1067 314 C A H 3<5S- 0 0 40 -4,-2.7 -1,-0.2 -5,-0.2 34,-0.2 0.673 112.3-120.8 -75.8 -17.8 54.8 29.3 43.7 1068 315 C G T <<5S+ 0 0 29 -4,-0.9 32,-0.2 -3,-0.6 -3,-0.2 0.633 83.6 113.1 87.1 14.7 53.1 26.6 45.8 1069 316 C T S > - 0 0 120 -3,-0.3 4,-1.9 1,-0.1 3,-1.2 -0.307 58.3-132.3 -61.0 133.4 41.0 10.5 41.0 1077 324 C K H 3> S+ 0 0 45 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.904 103.1 50.4 -49.8 -55.5 39.1 10.0 44.2 1078 325 C E H 3> S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.682 109.8 53.1 -63.4 -16.4 42.0 8.8 46.4 1079 326 C N H <> S+ 0 0 48 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.861 107.5 48.4 -85.8 -40.5 44.1 11.8 45.3 1080 327 C L H X S+ 0 0 0 -4,-1.9 4,-2.5 -3,-0.2 5,-0.3 0.926 115.4 48.7 -61.8 -41.6 41.5 14.4 46.3 1081 328 C I H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.971 114.2 41.0 -63.2 -57.2 41.2 12.5 49.6 1082 329 C K H X S+ 0 0 113 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.885 117.7 49.7 -63.2 -35.2 44.9 12.3 50.4 1083 330 C E H X S+ 0 0 27 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.926 115.0 40.5 -70.2 -46.7 45.6 15.8 49.2 1084 331 C A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.926 114.5 54.1 -66.4 -43.6 42.8 17.5 51.2 1085 332 C L H X S+ 0 0 28 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.849 104.6 55.2 -60.3 -32.7 43.5 15.3 54.2 1086 333 C D H X S+ 0 0 46 -4,-1.7 4,-1.7 -5,-0.2 7,-0.3 0.926 112.3 42.4 -65.2 -43.5 47.2 16.5 54.0 1087 334 C L H < S+ 0 0 0 -4,-1.5 7,-0.4 2,-0.2 -2,-0.2 0.899 118.5 44.3 -69.0 -43.1 46.1 20.1 54.2 1088 335 C L H < S+ 0 0 9 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 120.4 41.4 -68.7 -36.5 43.4 19.5 56.9 1089 336 C D H < S+ 0 0 70 -4,-2.6 2,-0.5 -5,-0.3 -2,-0.2 0.684 113.2 52.2 -87.5 -20.3 45.7 17.3 58.9 1090 337 C N >X - 0 0 74 -4,-1.7 4,-2.1 -5,-0.2 3,-1.0 -0.849 57.6-171.3-125.8 97.0 49.0 19.2 58.7 1091 338 C K H 3> S+ 0 0 150 -2,-0.5 4,-3.2 1,-0.3 5,-0.2 0.841 90.7 57.9 -51.5 -37.7 48.8 22.9 59.6 1092 339 C E H 3> S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.869 105.4 48.9 -63.0 -38.1 52.3 23.3 58.3 1093 340 C S H <> S+ 0 0 25 -3,-1.0 4,-1.7 -7,-0.3 -2,-0.2 0.913 114.6 45.5 -67.9 -41.7 51.3 22.0 54.8 1094 341 C H H X S+ 0 0 20 -4,-2.1 4,-3.3 -7,-0.4 -2,-0.2 0.920 112.9 49.8 -66.7 -44.4 48.3 24.4 54.8 1095 342 C D H X S+ 0 0 56 -4,-3.2 4,-3.5 2,-0.2 5,-0.2 0.900 105.8 56.7 -64.1 -38.4 50.3 27.3 56.0 1096 343 C K H X S+ 0 0 140 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.944 115.3 38.0 -57.1 -47.3 53.0 26.7 53.4 1097 344 C M H < S+ 0 0 9 -4,-1.7 3,-0.4 2,-0.2 -2,-0.2 0.916 116.9 51.0 -70.5 -43.0 50.4 27.0 50.7 1098 345 C A H < S+ 0 0 22 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.890 113.8 44.7 -61.7 -39.3 48.5 29.8 52.5 1099 346 C Q H < S+ 0 0 154 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.642 86.2 113.5 -81.3 -15.0 51.6 31.9 52.9 1100 347 C A S < S- 0 0 22 -4,-1.0 2,-0.4 -3,-0.4 -51,-0.1 -0.244 77.3-105.1 -58.6 145.0 52.9 31.4 49.3 1101 348 C A - 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