==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-NOV-07 3B9Z . COMPND 2 MOLECULE: AMMONIUM TRANSPORTER FAMILY RH-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA ATCC 19718; . AUTHOR X.LI,S.JAYACHANDRAN,H-H.T.NGUYEN,M.K.CHAN . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.1 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 2 0 1 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 1 2 1 1 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 31 A E 0 0 233 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.3 -10.8 2.8 -33.9 2 32 A I - 0 0 106 4,-0.0 2,-0.9 5,-0.0 0, 0.0 -0.868 360.0-120.8-108.6 142.9 -9.5 3.1 -30.4 3 33 A N > - 0 0 84 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 -0.721 25.3-166.5 -79.7 107.1 -5.9 3.6 -29.2 4 34 A E H > S+ 0 0 146 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.877 83.2 53.3 -68.4 -40.2 -5.3 0.6 -27.1 5 35 A A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.4 48.0 -59.4 -43.8 -2.1 1.8 -25.4 6 36 A R H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 110.3 52.1 -68.8 -33.2 -3.8 5.1 -24.4 7 37 A L H X S+ 0 0 80 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.899 109.1 49.5 -67.3 -42.1 -6.7 3.1 -22.9 8 38 A V H X S+ 0 0 86 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 110.5 51.9 -61.4 -42.7 -4.4 0.9 -20.9 9 39 A A H X S+ 0 0 19 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 110.7 47.7 -56.4 -48.6 -2.7 4.1 -19.7 10 40 A Q H X S+ 0 0 38 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 109.9 51.4 -61.1 -46.2 -6.1 5.5 -18.6 11 41 A Y H X S+ 0 0 118 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.920 110.9 48.7 -59.0 -46.0 -7.2 2.3 -16.8 12 42 A N H X S+ 0 0 79 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.863 108.1 53.8 -64.6 -36.7 -3.9 2.3 -14.8 13 43 A Y H X S+ 0 0 22 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.927 107.4 52.8 -57.5 -44.7 -4.4 6.0 -13.9 14 44 A S H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.854 110.5 45.8 -62.7 -37.7 -7.8 5.1 -12.6 15 45 A I H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.905 112.8 50.5 -71.4 -41.6 -6.4 2.3 -10.4 16 46 A N H X S+ 0 0 40 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.924 113.3 46.5 -56.5 -46.5 -3.6 4.6 -9.2 17 47 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.885 107.6 55.9 -65.8 -39.6 -6.2 7.3 -8.4 18 48 A L H X S+ 0 0 51 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.877 104.9 53.7 -61.8 -36.4 -8.5 4.7 -6.6 19 49 A A H X>S+ 0 0 25 -4,-1.9 5,-2.4 1,-0.2 4,-0.8 0.885 108.1 50.1 -62.5 -40.5 -5.6 3.9 -4.3 20 50 A M H <>S+ 0 0 2 -4,-1.5 5,-2.7 3,-0.2 6,-0.2 0.889 111.9 48.5 -62.0 -41.8 -5.2 7.6 -3.5 21 51 A L H <>S+ 0 0 0 -4,-2.2 5,-0.6 3,-0.2 -2,-0.2 0.945 125.1 25.1 -65.4 -50.2 -9.0 7.8 -2.7 22 52 A L H X5S+ 0 0 48 -4,-2.6 4,-1.1 3,-0.2 5,-0.3 0.986 137.2 20.2 -81.2 -69.8 -9.1 4.7 -0.4 23 53 A V H X5S+ 0 0 59 -4,-0.8 4,-2.2 -5,-0.3 5,-0.3 0.908 127.0 49.8 -71.3 -42.1 -5.7 4.0 1.1 24 54 A G H >< S+ 0 0 60 -4,-2.2 3,-0.6 -5,-0.3 150,-0.2 0.792 109.8 61.2 -81.4 -25.4 -5.0 6.4 6.1 28 58 A L H >< S+ 0 0 6 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.920 107.8 48.8 -56.9 -41.3 -3.9 10.1 6.1 29 59 A M G >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.554 89.0 82.3 -78.7 -9.8 -7.0 10.6 8.1 30 60 A V G < + 0 0 11 -3,-0.6 -1,-0.3 -4,-0.3 5,-0.2 0.558 64.6 93.8 -69.1 -6.5 -6.2 7.7 10.5 31 61 A F G < + 0 0 13 -3,-1.1 2,-0.4 -4,-0.2 136,-0.4 0.798 56.6 98.7 -58.7 -28.1 -3.9 10.2 12.3 32 62 A V S X S- 0 0 2 -3,-1.1 3,-1.9 1,-0.1 134,-0.2 -0.525 82.8-131.3 -67.3 118.5 -6.8 11.0 14.8 33 63 A R T 3 S+ 0 0 62 132,-2.6 3,-0.3 -2,-0.4 -1,-0.1 0.735 92.7 18.7 -48.7 -50.1 -5.9 8.7 17.7 34 64 A R T 3 S+ 0 0 47 314,-0.4 316,-2.6 1,-0.1 -1,-0.3 -0.129 112.0 75.5-116.3 35.8 -9.1 6.9 18.5 35 65 A Y <> + 0 0 3 -3,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.185 51.9 112.3-133.4 15.1 -10.9 7.5 15.2 36 66 A G H > S+ 0 0 15 -3,-0.3 4,-2.1 -4,-0.2 5,-0.2 0.801 78.8 52.3 -63.1 -34.2 -9.3 5.1 12.7 37 67 A F H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 114.9 41.7 -68.1 -45.9 -12.4 2.8 12.3 38 68 A S H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.849 113.6 53.5 -69.5 -37.1 -14.6 5.8 11.5 39 69 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.948 115.9 38.0 -62.3 -50.0 -11.9 7.4 9.2 40 70 A T H X S+ 0 0 40 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 120.0 46.5 -70.6 -40.8 -11.5 4.3 7.1 41 71 A T H X S+ 0 0 43 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.926 113.0 50.0 -66.5 -44.7 -15.2 3.4 7.2 42 72 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.880 109.1 52.4 -59.6 -41.0 -16.2 7.0 6.3 43 73 A T H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.934 108.9 50.2 -59.1 -47.8 -13.7 7.0 3.5 44 74 A Y H X S+ 0 0 156 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.908 110.9 49.8 -55.0 -45.2 -15.4 3.8 2.2 45 75 A L H X S+ 0 0 54 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.889 109.8 49.5 -64.9 -40.6 -18.8 5.4 2.4 46 76 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.928 115.9 43.3 -63.6 -45.1 -17.7 8.5 0.5 47 77 A V H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 115.7 47.2 -63.7 -49.5 -16.1 6.4 -2.3 48 78 A A H < S+ 0 0 66 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.727 120.4 38.8 -70.3 -24.7 -19.1 4.0 -2.5 49 79 A T H X S+ 0 0 39 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.882 117.9 47.1 -84.7 -49.6 -21.7 6.8 -2.5 50 80 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.862 106.4 54.9 -65.6 -43.4 -19.8 9.3 -4.7 51 81 A L H X S+ 0 0 35 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.965 113.3 38.6 -58.6 -57.8 -18.7 6.9 -7.5 52 82 A P H > S+ 0 0 74 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.870 116.4 53.9 -63.4 -35.4 -22.1 5.5 -8.5 53 83 A L H X S+ 0 0 33 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.951 111.9 42.0 -63.0 -51.7 -23.8 8.9 -7.9 54 84 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.918 115.3 51.2 -61.2 -44.1 -21.5 10.8 -10.3 55 85 A I H X S+ 0 0 42 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.908 110.5 49.3 -59.3 -44.1 -21.6 8.0 -12.8 56 86 A L H X S+ 0 0 105 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.912 111.9 48.7 -59.9 -45.6 -25.4 8.1 -12.7 57 87 A L H <>S+ 0 0 28 -4,-2.4 5,-2.3 1,-0.2 3,-0.3 0.915 114.3 43.7 -63.0 -47.0 -25.5 11.9 -13.2 58 88 A R H ><5S+ 0 0 16 -4,-2.7 3,-1.7 1,-0.2 9,-1.3 0.848 107.7 59.9 -68.1 -35.8 -23.1 11.9 -16.2 59 89 A A H 3<5S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.6 47.0 -58.7 -32.9 -24.9 8.9 -17.7 60 90 A N T 3<5S- 0 0 113 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.275 117.6-115.6 -92.4 8.1 -28.0 11.1 -17.8 61 91 A G T X 5 + 0 0 35 -3,-1.7 3,-0.5 1,-0.2 2,-0.5 0.822 55.7 163.9 62.1 35.6 -26.1 14.0 -19.3 62 92 A I T 3 < - 0 0 67 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.753 66.3 -8.6 -89.6 127.6 -26.6 16.3 -16.2 63 93 A F T 3 S+ 0 0 74 -2,-0.5 -1,-0.2 53,-0.0 2,-0.2 0.926 133.5 14.0 50.9 56.7 -24.3 19.3 -16.0 64 94 A G S < S- 0 0 15 -3,-0.5 3,-0.1 53,-0.1 53,-0.0 -0.666 106.4 -38.7 137.8 169.0 -22.1 18.3 -18.9 65 95 A H S S- 0 0 160 -2,-0.2 -4,-0.1 1,-0.1 -3,-0.1 -0.339 73.0 -98.0 -60.7 138.3 -21.7 16.0 -21.9 66 96 A A - 0 0 67 -5,-0.2 2,-0.5 -6,-0.1 -7,-0.2 -0.304 33.5-156.6 -63.1 138.4 -23.0 12.5 -21.2 67 97 A L - 0 0 28 -9,-1.3 -6,-0.2 -12,-0.2 4,-0.1 -0.983 19.4-124.1-116.9 126.4 -20.5 9.8 -20.3 68 98 A T - 0 0 94 -2,-0.5 6,-0.4 1,-0.1 3,-0.2 -0.512 18.6-131.2 -70.3 130.4 -21.4 6.2 -20.8 69 99 A P S S+ 0 0 60 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 0.886 99.6 66.0 -50.3 -46.7 -21.2 4.2 -17.6 70 100 A H S S+ 0 0 194 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.394 86.1 95.9 -78.4 63.8 -19.1 1.4 -19.1 71 101 A S S > S- 0 0 35 -2,-2.3 4,-1.1 -3,-0.2 3,-0.1 -0.988 75.3-132.0-147.8 148.3 -16.1 3.6 -19.8 72 102 A V H > S+ 0 0 32 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.860 110.5 62.1 -63.8 -36.1 -12.8 4.3 -18.0 73 103 A D H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.901 99.1 54.8 -52.6 -45.8 -13.5 8.0 -18.7 74 104 A A H > S+ 0 0 3 -6,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.878 110.0 46.9 -56.9 -40.6 -16.7 7.6 -16.5 75 105 A V H X S+ 0 0 48 -4,-1.1 4,-2.6 -3,-0.2 -2,-0.2 0.943 110.4 50.7 -67.7 -49.9 -14.6 6.3 -13.6 76 106 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.921 112.4 45.5 -58.0 -47.8 -11.8 8.9 -13.8 77 107 A Y H X S+ 0 0 57 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.888 113.4 50.6 -65.6 -37.7 -14.3 11.9 -13.7 78 108 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.869 105.7 57.5 -62.5 -39.4 -16.2 10.2 -10.9 79 109 A E H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.878 102.7 53.1 -59.7 -41.0 -13.0 9.7 -9.0 80 110 A F H X S+ 0 0 6 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.903 108.8 49.9 -62.0 -42.2 -12.3 13.5 -9.1 81 111 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.924 110.8 49.5 -58.7 -46.9 -15.7 14.2 -7.6 82 112 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.897 104.9 58.9 -60.5 -42.4 -15.0 11.6 -4.9 83 113 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 103.7 51.2 -53.4 -43.9 -11.6 13.3 -4.2 84 114 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.881 108.9 52.0 -63.1 -37.4 -13.4 16.6 -3.4 85 115 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.870 110.0 47.9 -63.2 -39.7 -15.7 14.7 -1.0 86 116 A L H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.830 111.1 50.9 -73.4 -32.7 -12.7 13.2 0.8 87 117 A I H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.2 3,-0.2 0.935 112.0 46.7 -65.1 -47.9 -11.0 16.6 1.0 88 118 A A H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.8 0.888 107.9 57.8 -60.8 -39.8 -14.2 18.1 2.5 89 119 A M H 3X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.867 97.3 62.2 -56.6 -39.4 -14.3 15.1 4.9 90 120 A G H 3< S+ 0 0 2 -4,-1.4 198,-2.5 1,-0.2 199,-0.3 0.798 101.7 51.7 -58.1 -32.0 -10.9 16.1 6.2 91 121 A A H << S+ 0 0 0 -3,-0.8 196,-2.0 -4,-0.8 -1,-0.2 0.863 121.8 29.8 -70.9 -37.1 -12.2 19.4 7.4 92 122 A V H >< S+ 0 0 0 -4,-1.1 3,-2.5 -3,-0.3 4,-0.4 0.330 82.3 143.1-109.2 4.0 -15.1 17.8 9.4 93 123 A L T 3< S+ 0 0 0 -4,-1.4 194,-0.1 1,-0.3 -54,-0.1 -0.209 74.2 16.1 -51.2 127.0 -13.6 14.4 10.3 94 124 A G T 3 S+ 0 0 0 2,-0.2 254,-1.6 -59,-0.1 255,-0.3 0.178 112.0 76.9 94.9 -16.7 -14.7 13.4 13.8 95 125 A R S < S+ 0 0 2 -3,-2.5 2,-0.4 252,-0.2 249,-0.3 0.322 84.4 72.0-110.3 5.4 -17.6 15.8 14.0 96 126 A L S S- 0 0 0 -4,-0.4 -2,-0.2 247,-0.1 2,-0.2 -0.904 86.9-114.1-110.6 147.2 -19.9 13.8 11.8 97 127 A R >> - 0 0 77 -2,-0.4 3,-1.2 245,-0.2 4,-0.5 -0.509 38.8-109.5 -65.2 149.4 -21.6 10.6 12.6 98 128 A V H >> S+ 0 0 12 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.901 120.1 54.2 -53.2 -45.9 -20.2 7.8 10.4 99 129 A F H >> S+ 0 0 93 1,-0.3 4,-1.0 2,-0.2 3,-0.8 0.797 98.2 66.7 -58.2 -27.9 -23.5 7.6 8.3 100 130 A Q H <> S+ 0 0 2 -3,-1.2 4,-2.3 1,-0.2 -1,-0.3 0.658 85.4 68.9 -71.9 -16.9 -23.2 11.3 7.7 101 131 A Y H S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.854 114.9 49.3 -61.5 -35.7 -23.9 17.6 -7.4 111 141 A V H X S+ 0 0 30 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.919 112.2 48.0 -69.9 -43.3 -22.3 20.9 -6.3 112 142 A Y H X S+ 0 0 3 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.923 112.3 49.7 -58.0 -46.9 -18.9 19.7 -7.7 113 143 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.910 109.9 50.6 -60.1 -46.1 -20.5 18.7 -10.9 114 144 A L H X S+ 0 0 47 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.922 114.0 44.7 -56.3 -48.2 -22.3 22.1 -11.2 115 145 A N H X>S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.6 0.907 110.7 53.4 -64.1 -44.5 -19.0 23.9 -10.7 116 146 A E H X>S+ 0 0 9 -4,-3.1 5,-1.7 3,-0.2 4,-0.5 0.913 114.7 43.5 -53.2 -45.3 -17.1 21.6 -13.1 117 147 A W H <5S+ 0 0 92 -4,-2.5 6,-2.1 3,-0.2 7,-0.2 0.939 117.8 42.6 -67.4 -51.3 -19.8 22.4 -15.7 118 148 A L H <5S+ 0 0 41 -4,-3.0 6,-2.0 5,-0.2 7,-0.4 0.897 129.9 23.2 -64.8 -43.1 -20.0 26.2 -15.0 119 149 A V H ><5S+ 0 0 1 -4,-3.2 3,-0.7 -5,-0.2 11,-0.2 0.951 130.0 33.4 -92.4 -62.3 -16.2 26.8 -14.7 120 150 A L T 3< + 0 0 3 -9,-0.3 3,-1.8 191,-0.1 2,-0.2 0.022 58.8 148.4-122.2 28.1 -14.5 31.3 -17.8 128 158 A E T 3 S+ 0 0 160 1,-0.3 187,-0.2 -6,-0.1 188,-0.1 -0.474 74.9 21.4 -66.4 128.5 -13.2 30.7 -21.4 129 159 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -2,-0.2 187,-0.1 0.492 83.7 166.9 90.1 5.9 -9.5 30.0 -21.2 130 160 A F < - 0 0 29 -3,-1.8 2,-0.7 -11,-0.2 -1,-0.3 -0.310 26.2-146.5 -54.7 129.0 -9.6 28.9 -17.6 131 161 A Q + 0 0 36 171,-0.1 174,-0.2 181,-0.1 115,-0.1 -0.896 49.9 122.4-109.9 107.2 -6.3 27.1 -16.7 132 162 A D > + 0 0 13 -2,-0.7 3,-1.2 113,-0.1 114,-0.2 -0.350 23.5 170.9-160.6 65.2 -6.6 24.3 -14.2 133 163 A S T 3 S+ 0 0 25 113,-1.8 113,-0.2 1,-0.3 59,-0.2 0.820 84.5 21.9 -55.5 -41.1 -5.2 21.1 -15.7 134 164 A A T 3 S- 0 0 9 111,-1.8 -1,-0.3 108,-0.1 112,-0.2 0.067 115.7-100.0-119.8 21.6 -5.3 19.0 -12.6 135 165 A G <>> + 0 0 5 -3,-1.2 5,-2.5 110,-0.2 4,-1.8 0.816 58.4 157.5 71.1 38.2 -7.8 20.9 -10.5 136 166 A S T 4>S+ 0 0 0 3,-0.2 5,-2.1 4,-0.2 165,-0.1 0.895 95.1 20.7 -51.5 -38.7 -5.9 23.1 -8.0 137 167 A I T 4>S+ 0 0 0 3,-0.2 5,-2.1 4,-0.2 6,-0.1 0.890 127.5 47.6 -94.1 -53.6 -9.1 25.1 -8.0 138 168 A A T 45S+ 0 0 0 3,-0.2 -2,-0.1 1,-0.1 -22,-0.1 0.735 131.0 16.5 -68.6 -26.4 -11.8 22.7 -9.3 139 169 A I T X5S+ 0 0 8 -4,-1.8 4,-2.3 3,-0.1 -3,-0.2 0.790 133.2 32.1-107.5 -59.1 -10.8 19.8 -7.0 140 170 A H H > - 0 0 39 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.597 26.9-111.0-103.3 164.6 -21.0 22.5 18.1 157 187 A A H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.900 118.6 53.8 -57.4 -43.7 -19.4 24.0 21.2 158 188 A A H 4 S+ 0 0 73 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.868 108.7 49.4 -61.7 -38.3 -19.1 20.6 22.8 159 189 A Q H >4 S+ 0 0 3 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.885 106.2 55.6 -66.9 -40.9 -17.2 19.3 19.7 160 190 A R H 3< S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 100.7 60.5 -64.1 -27.0 -14.8 22.3 19.8 161 191 A A T 3< S+ 0 0 76 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.660 86.0 92.5 -74.0 -18.2 -13.9 21.5 23.4 162 192 A Q S < S- 0 0 66 -3,-1.3 2,-0.1 -4,-0.4 186,-0.0 -0.653 77.5-130.5 -80.2 127.1 -12.6 18.0 22.3 163 193 A P - 0 0 78 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.478 14.8-122.1 -74.4 149.3 -8.9 18.0 21.5 164 194 A I - 0 0 55 -2,-0.1 2,-0.2 -131,-0.0 184,-0.0 -0.848 41.9-168.8 -91.6 110.5 -7.6 16.4 18.3 165 195 A E + 0 0 86 -2,-0.8 -132,-2.6 183,-0.1 2,-0.3 -0.650 17.0 171.0-105.1 157.0 -5.2 13.7 19.5 166 196 A S - 0 0 49 -134,-0.2 2,-0.3 -2,-0.2 -134,-0.1 -0.964 6.8-169.5-151.8 163.7 -2.7 11.5 17.8 167 197 A D > - 0 0 68 -136,-0.4 4,-2.8 -2,-0.3 5,-0.3 -0.863 46.3 -78.3-145.3-176.1 0.1 9.0 18.8 168 198 A A H > S+ 0 0 68 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.866 126.7 44.0 -55.8 -42.1 3.0 7.0 17.3 169 199 A T H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 115.4 45.1 -68.9 -52.2 0.7 4.4 15.8 170 200 A S H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.881 115.1 49.8 -61.3 -37.9 -2.0 6.7 14.4 171 201 A D H X S+ 0 0 23 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.816 107.5 53.0 -71.0 -33.0 0.7 9.0 12.9 172 202 A R H X S+ 0 0 164 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.902 109.4 49.4 -67.7 -40.5 2.6 6.1 11.3 173 203 A F H X S+ 0 0 90 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.900 109.4 53.5 -59.9 -40.6 -0.6 5.0 9.6 174 204 A S H X S+ 0 0 4 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.885 104.4 53.6 -62.7 -40.8 -1.0 8.7 8.5 175 205 A M H X S+ 0 0 44 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.838 106.4 53.9 -63.1 -34.4 2.5 8.7 7.0 176 206 A L H X S+ 0 0 85 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.947 109.8 46.3 -61.7 -50.6 1.5 5.6 5.0 177 207 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -150,-0.2 -2,-0.2 0.915 112.0 52.9 -56.4 -44.8 -1.6 7.5 3.6 178 208 A S H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 109.7 46.8 -56.0 -48.9 0.7 10.4 2.9 179 209 A M H X S+ 0 0 120 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.855 109.5 53.4 -67.1 -36.8 3.1 8.4 0.9 180 210 A V H X S+ 0 0 16 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.910 112.1 45.5 -63.2 -43.4 0.4 6.6 -1.1 181 211 A L H X S+ 0 0 1 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.934 115.2 48.6 -61.1 -47.7 -1.0 10.0 -2.1 182 212 A W H < S+ 0 0 60 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.925 113.5 44.9 -55.9 -51.8 2.5 11.3 -2.9 183 213 A L H < S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.4 40.0 -73.2 -33.8 3.5 8.3 -5.1 184 214 A F H >X S+ 0 0 50 -4,-1.8 4,-1.3 -5,-0.2 3,-1.3 0.548 88.9 96.9 -91.0 -9.2 0.3 8.0 -7.1 185 215 A W H 3X S+ 0 0 5 -4,-1.0 4,-2.7 -3,-0.4 5,-0.2 0.821 72.5 63.3 -52.1 -42.4 -0.2 11.8 -7.5 186 216 A P H 3> S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.866 104.9 48.5 -52.4 -37.2 1.5 12.0 -11.0 187 217 A S H <> S+ 0 0 16 -3,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.875 109.1 52.6 -67.9 -40.3 -1.3 9.7 -12.3 188 218 A F H < S+ 0 0 8 -4,-1.3 4,-0.3 1,-0.2 3,-0.2 0.920 114.7 43.3 -57.1 -45.0 -3.9 12.0 -10.6 189 219 A A H < S+ 0 0 1 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.803 118.5 41.2 -73.7 -33.6 -2.4 15.0 -12.4 190 220 A T H >< S+ 0 0 1 -4,-1.9 3,-1.3 -5,-0.2 -1,-0.2 0.565 85.4 98.9 -93.2 -9.0 -1.9 13.5 -15.8 191 221 A A T 3< S+ 0 0 1 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.794 96.4 24.4 -53.7 -42.0 -5.2 11.6 -16.1 192 222 A I T 3 S+ 0 0 72 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.232 100.6 103.0-111.6 12.5 -7.1 14.1 -18.2 193 223 A V S < S- 0 0 12 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.728 88.9 -90.0 -86.8 141.1 -4.1 15.7 -19.8 194 224 A P > - 0 0 66 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.212 34.2-117.8 -51.9 143.9 -3.4 14.7 -23.4 195 225 A F G > S+ 0 0 84 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.821 112.0 64.2 -52.8 -38.0 -1.1 11.6 -23.7 196 226 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.746 104.7 47.1 -58.8 -25.2 1.6 13.7 -25.6 197 227 A Q G <> S+ 0 0 63 -3,-1.8 4,-2.5 1,-0.1 -1,-0.3 0.353 82.2 102.0-100.5 4.3 2.0 15.8 -22.5 198 228 A M H <> S+ 0 0 51 -3,-1.7 4,-3.0 -4,-0.2 5,-0.3 0.922 79.2 48.7 -56.9 -53.0 2.3 12.9 -20.0 199 229 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.918 115.2 45.4 -57.1 -44.5 6.1 12.9 -19.5 200 230 A Q H > S+ 0 0 81 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.933 115.7 47.9 -58.8 -47.7 6.2 16.7 -18.9 201 231 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.928 114.0 43.5 -62.5 -49.8 3.1 16.5 -16.5 202 232 A I H X S+ 0 0 43 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.873 115.1 48.8 -70.1 -36.2 4.3 13.6 -14.4 203 233 A V H X S+ 0 0 67 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.935 112.6 48.7 -65.9 -45.9 7.9 14.9 -14.1 204 234 A N H X S+ 0 0 5 -4,-2.5 4,-2.4 44,-0.3 -2,-0.2 0.899 111.1 50.4 -59.0 -42.1 6.6 18.3 -13.1 205 235 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.930 112.4 47.2 -61.8 -46.2 4.3 16.8 -10.5 206 236 A L H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 112.7 48.4 -61.5 -44.9 7.2 14.8 -9.1 207 237 A L H X S+ 0 0 54 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.884 111.2 50.3 -66.4 -38.1 9.5 17.8 -8.9 208 238 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.906 110.8 49.6 -64.6 -42.4 6.8 20.0 -7.3 209 239 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 31,-0.2 -2,-0.2 0.912 110.3 50.6 -61.8 -43.2 6.2 17.2 -4.7 210 240 A C H X S+ 0 0 50 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 111.0 49.3 -58.9 -47.4 10.0 17.1 -4.1 211 241 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 112.9 45.9 -56.6 -48.7 10.1 20.9 -3.6 212 242 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.860 110.5 54.2 -64.5 -36.3 7.2 20.9 -1.2 213 243 A T H X S+ 0 0 34 -4,-2.3 4,-2.2 24,-0.3 -2,-0.2 0.924 112.2 43.0 -65.3 -45.9 8.7 17.9 0.8 214 244 A L H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.940 116.9 46.5 -64.7 -48.9 12.0 19.7 1.3 215 245 A A H X S+ 0 0 14 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.900 111.5 53.8 -59.7 -42.6 10.4 23.1 2.1 216 246 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.943 110.7 43.5 -59.0 -52.3 7.9 21.3 4.5 217 247 A Y H X S+ 0 0 98 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.945 117.2 43.5 -62.4 -50.3 10.6 19.6 6.6 218 248 A F H X S+ 0 0 132 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.851 117.0 45.9 -69.9 -32.9 13.0 22.5 6.9 219 249 A L H X S+ 0 0 43 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.884 111.6 51.7 -74.3 -39.3 10.3 25.0 7.7 220 250 A S H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.941 112.0 47.4 -57.9 -47.3 8.5 22.8 10.2 221 251 A A H <>S+ 0 0 14 -4,-2.5 5,-3.1 -5,-0.2 6,-0.3 0.889 112.4 50.5 -59.9 -41.1 11.9 22.3 11.9 222 252 A L H ><5S+ 0 0 122 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.913 113.2 43.7 -62.5 -45.8 12.4 26.1 11.8 223 253 A F H 3<5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.690 112.8 51.9 -77.6 -20.2 9.0 27.0 13.3 224 254 A H T ><5S- 0 0 74 -4,-1.6 3,-1.5 3,-0.3 -1,-0.2 -0.118 118.8-100.9-111.9 34.6 9.2 24.3 16.0 225 255 A K T < 5S- 0 0 206 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.776 87.4 -36.5 59.0 36.1 12.6 25.2 17.5 226 256 A G T 3 - 0 0 31 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.950 8.0-150.5-105.9 129.6 5.9 18.0 13.3 230 260 A I H > S+ 0 0 73 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.768 100.7 56.7 -68.1 -25.9 4.9 14.7 11.8 231 261 A V H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.918 107.6 47.3 -69.7 -44.3 1.5 16.2 11.0 232 262 A D H >>S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.6 0.928 114.1 49.2 -55.8 -47.1 3.2 19.0 9.0 233 263 A M H X5S+ 0 0 40 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.918 111.4 46.3 -63.4 -48.0 5.3 16.3 7.3 234 264 A A H <5S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.861 127.7 25.2 -63.6 -37.1 2.4 14.0 6.3 235 265 A N H ><5S+ 0 0 3 -4,-1.8 3,-1.2 -5,-0.2 4,-0.3 0.919 118.3 49.4 -97.4 -54.2 0.2 16.8 5.0 236 266 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.4 4,-0.3 0.740 99.5 67.4 -65.9 -26.6 2.3 19.8 3.8 237 267 A A T >< S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.2 3,-0.8 0.582 81.9 87.3 -77.5 -11.4 1.6 16.9 -0.5 239 269 A A H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.3 -1,-0.2 0.699 78.7 65.1 -64.7 -20.4 1.0 20.7 -1.1 240 270 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.3 0.903 102.6 47.5 -64.1 -43.1 3.5 20.5 -4.1 241 271 A G H <> S+ 0 0 1 -3,-0.8 4,-0.5 -4,-0.3 -2,-0.2 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G > - 0 0 13 -2,-0.1 3,-1.3 1,-0.1 -1,-0.1 -0.192 32.2-104.1 -65.6 164.7 -14.6 3.9 25.9 360 390 A P G > S+ 0 0 29 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.662 111.4 76.9 -68.1 -17.1 -11.6 6.2 26.4 361 391 A E G 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.758 90.3 55.8 -63.2 -25.9 -12.3 6.4 30.2 362 392 A D G X S+ 0 0 89 -3,-1.3 3,-0.9 1,-0.2 -1,-0.3 0.442 83.8 91.7 -85.9 -1.2 -10.8 2.9 30.6 363 393 A E T < S+ 0 0 71 -3,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.920 96.2 25.0 -63.7 -51.6 -7.4 3.9 29.0 364 394 A H T 3> S+ 0 0 110 -4,-0.4 4,-1.4 -3,-0.3 -1,-0.2 -0.100 83.3 119.5-108.6 34.8 -5.4 5.0 32.0 365 395 A K H <> S+ 0 0 126 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.812 72.0 56.8 -67.3 -32.1 -7.2 2.9 34.7 366 396 A A H > S+ 0 0 72 -3,-0.3 4,-0.7 -4,-0.2 -1,-0.2 0.927 112.1 38.5 -67.0 -48.1 -4.1 1.0 35.6 367 397 A E H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.710 111.1 61.7 -76.0 -22.4 -2.0 4.1 36.5 368 398 A R H X S+ 0 0 124 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.871 102.2 50.4 -68.9 -39.8 -5.0 5.8 38.1 369 399 A L H X S+ 0 0 109 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.730 106.5 55.8 -72.3 -24.4 -5.3 3.0 40.7 370 400 A V H X S+ 0 0 91 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.878 108.2 47.2 -72.7 -40.8 -1.6 3.3 41.6 371 401 A L H X S+ 0 0 96 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.792 112.6 50.2 -70.3 -30.3 -2.0 7.0 42.4 372 402 A E H X S+ 0 0 98 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.834 112.0 47.0 -73.4 -35.9 -5.1 6.2 44.4 373 403 A A H X S+ 0 0 47 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.762 106.7 59.0 -73.9 -27.9 -3.1 3.5 46.3 374 404 A K H X S+ 0 0 106 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.793 105.7 49.1 -68.6 -31.0 -0.3 6.0 46.7 375 405 A T H X S+ 0 0 92 -4,-0.9 4,-0.7 2,-0.2 -2,-0.2 0.819 110.1 51.5 -75.4 -33.5 -2.8 8.3 48.6 376 406 A E H < S+ 0 0 142 -4,-1.1 4,-0.5 1,-0.2 -2,-0.2 0.801 105.5 53.1 -76.4 -31.9 -3.9 5.4 50.8 377 407 A I H X S+ 0 0 92 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.702 104.0 58.2 -76.1 -20.8 -0.4 4.4 51.9 378 408 A Q H X S+ 0 0 96 -4,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.777 98.3 60.4 -73.8 -29.9 0.3 8.0 53.0 379 409 A G H < S+ 0 0 42 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.697 107.6 44.7 -69.9 -22.0 -2.7 7.7 55.3 380 410 A L H > S+ 0 0 116 -4,-0.5 4,-0.6 -3,-0.2 3,-0.4 0.783 118.4 42.1 -88.6 -34.2 -1.0 4.8 57.2 381 411 A K H >X S+ 0 0 144 -4,-1.2 2,-1.8 1,-0.2 3,-0.6 0.941 110.8 53.2 -78.0 -52.5 2.5 6.6 57.3 382 412 A N H 3< S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.2 -4,-0.1 -0.417 108.1 53.4 -83.5 61.7 1.4 10.1 58.2 383 413 A R H 3> S+ 0 0 187 -2,-1.8 4,-0.6 -3,-0.4 3,-0.4 0.317 97.8 54.5-157.7 -41.2 -0.7 8.9 61.2 384 414 A I H