==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-11 3SR3 . COMPND 2 MOLECULE: MICROCIN IMMUNITY PROTEIN MCCF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR B.NOCEK,M.ZHOU,M.GU,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STR . 637 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 5 2 2 0 0 2 0 2 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 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 0 PARALLEL BRIDGES PER LADDER . 3 2 4 2 2 1 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 1 2 2 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 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 1 A M 0 0 98 0, 0.0 126,-0.1 0, 0.0 125,-0.1 0.000 360.0 360.0 360.0 105.7 -15.0 13.3 -15.3 2 2 A P - 0 0 58 0, 0.0 123,-0.0 0, 0.0 100,-0.0 -0.418 360.0-147.9 -73.5 153.5 -14.7 16.7 -13.5 3 3 A L - 0 0 40 124,-0.1 329,-0.2 102,-0.1 2,-0.1 -0.875 10.1-118.0-128.2 146.1 -13.0 19.4 -15.6 4 4 A P - 0 0 0 0, 0.0 329,-2.4 0, 0.0 102,-0.2 -0.477 41.3-101.4 -71.7 150.8 -10.9 22.4 -15.0 5 5 A K - 0 0 147 100,-0.7 102,-0.2 327,-0.2 3,-0.1 -0.498 46.1 -96.7 -65.8 146.0 -12.2 25.9 -16.0 6 6 A S - 0 0 18 327,-2.6 152,-0.2 -2,-0.2 2,-0.2 -0.215 41.7-100.5 -58.3 146.9 -10.8 27.3 -19.2 7 7 A L - 0 0 2 150,-2.6 2,-0.3 147,-0.1 -1,-0.1 -0.502 42.1-158.7 -65.4 140.5 -7.9 29.7 -19.1 8 8 A K > - 0 0 118 -2,-0.2 3,-2.0 -3,-0.1 70,-0.1 -0.904 28.1 -91.7-122.1 151.8 -9.1 33.3 -19.5 9 9 A Y T 3 S+ 0 0 143 -2,-0.3 32,-0.1 1,-0.3 33,-0.1 -0.369 115.0 26.2 -58.8 140.1 -7.1 36.4 -20.5 10 10 A G T 3 S+ 0 0 35 30,-0.2 -1,-0.3 1,-0.2 32,-0.1 0.449 91.4 144.1 83.2 1.2 -5.7 38.1 -17.5 11 11 A D < - 0 0 22 -3,-2.0 32,-2.4 1,-0.1 2,-0.6 -0.199 54.0-108.2 -67.3 160.8 -5.6 34.9 -15.4 12 12 A T E -ab 43 77A 30 64,-0.6 66,-2.2 30,-0.2 67,-1.1 -0.851 26.3-162.6 -94.7 120.6 -2.9 34.0 -12.9 13 13 A I E -ab 44 79A 1 30,-2.9 32,-2.3 -2,-0.6 2,-0.4 -0.933 11.2-149.6 -99.5 118.7 -0.5 31.3 -13.9 14 14 A G E -ab 45 80A 0 65,-2.9 67,-2.8 -2,-0.6 2,-0.4 -0.762 9.8-156.4 -89.5 136.8 1.3 29.9 -10.9 15 15 A I E +ab 46 81A 1 30,-2.7 32,-1.9 -2,-0.4 2,-0.3 -0.885 14.3 174.0-115.4 144.3 4.8 28.6 -11.5 16 16 A Y E - b 0 82A 0 65,-1.4 67,-2.5 -2,-0.4 68,-0.4 -0.955 28.1-135.6-144.1 161.7 6.7 26.0 -9.4 17 17 A S + 0 0 1 -2,-0.3 41,-0.3 65,-0.2 68,-0.1 -0.825 24.5 170.8-124.7 87.4 10.1 24.1 -9.7 18 18 A P S S- 0 0 0 0, 0.0 73,-0.1 0, 0.0 74,-0.1 0.539 75.6 -4.3 -78.8 -5.8 9.5 20.5 -8.8 19 19 A S S S+ 0 0 0 1,-0.4 39,-1.2 65,-0.4 67,-0.2 -0.027 115.2 43.3-147.0-103.5 13.0 19.4 -9.8 20 20 A S S S- 0 0 40 65,-2.1 2,-1.6 37,-0.2 -1,-0.4 -0.228 70.1-127.5 -64.7 141.7 15.8 21.4 -11.5 21 21 A P >> + 0 0 6 0, 0.0 4,-2.1 0, 0.0 3,-1.7 -0.295 49.2 152.5 -82.8 55.3 16.5 24.9 -10.1 22 22 A V H 3> + 0 0 3 -2,-1.6 4,-2.5 1,-0.3 8,-0.2 0.787 64.8 62.7 -60.8 -28.0 16.3 26.7 -13.4 23 23 A T H 34 S+ 0 0 7 -3,-0.3 -1,-0.3 1,-0.2 8,-0.1 0.758 113.3 36.6 -74.2 -19.6 15.2 30.0 -11.9 24 24 A Y H <4 S+ 0 0 125 -3,-1.7 -2,-0.2 28,-0.3 -1,-0.2 0.836 121.5 43.0 -90.4 -43.1 18.5 30.2 -10.0 25 25 A T H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.789 128.4 26.1 -82.3 -27.1 20.8 28.6 -12.7 26 26 A S X + 0 0 33 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.3 -0.506 69.7 160.0-131.2 65.4 19.5 30.5 -15.7 27 27 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.846 73.6 53.0 -61.7 -35.9 18.0 33.7 -14.3 28 28 A K H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 110.1 44.7 -66.0 -48.7 18.0 35.5 -17.6 29 29 A R H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 112,-0.2 0.868 113.5 53.9 -60.2 -40.3 16.2 32.9 -19.7 30 30 A F H X S+ 0 0 6 -4,-2.1 4,-2.7 -8,-0.2 -2,-0.2 0.959 108.9 46.7 -57.8 -52.0 13.7 32.7 -16.8 31 31 A E H X S+ 0 0 98 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.901 112.4 50.5 -62.0 -36.4 13.0 36.4 -16.8 32 32 A R H X S+ 0 0 40 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.896 111.6 47.9 -68.0 -38.3 12.6 36.4 -20.6 33 33 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.911 112.5 48.3 -66.8 -45.0 10.1 33.5 -20.4 34 34 A K H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.953 110.7 52.1 -57.2 -46.7 8.2 35.2 -17.6 35 35 A S H X S+ 0 0 49 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.869 101.7 60.9 -62.4 -35.7 8.2 38.5 -19.7 36 36 A Y H X S+ 0 0 43 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.928 112.1 37.5 -56.6 -47.4 6.8 36.7 -22.7 37 37 A L H <>S+ 0 0 0 -4,-1.5 5,-1.8 -3,-0.3 3,-0.4 0.830 112.9 56.1 -76.3 -34.4 3.7 35.6 -20.8 38 38 A L H ><5S+ 0 0 78 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.893 104.4 55.4 -58.8 -38.6 3.4 38.9 -18.8 39 39 A Q H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 100.3 59.6 -69.8 -20.6 3.3 40.7 -22.2 40 40 A K T 3<5S- 0 0 77 -4,-0.5 -1,-0.3 -3,-0.4 -30,-0.2 0.432 125.4-104.3 -82.6 -3.2 0.4 38.5 -23.1 41 41 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.463 77.8 132.6 97.3 0.1 -1.5 39.9 -20.1 42 42 A F < - 0 0 3 -5,-1.8 2,-0.4 -33,-0.1 -1,-0.3 -0.481 53.6-129.2 -79.1 153.1 -1.2 37.0 -17.8 43 43 A H E -a 12 0A 115 -32,-2.4 -30,-2.9 -2,-0.1 2,-0.6 -0.871 17.6-147.4 -97.3 142.1 -0.1 37.4 -14.2 44 44 A I E -a 13 0A 25 -2,-0.4 2,-0.7 -32,-0.2 -30,-0.2 -0.951 5.6-160.5-114.7 113.7 2.7 35.1 -13.1 45 45 A L E -a 14 0A 64 -32,-2.3 -30,-2.7 -2,-0.6 2,-0.6 -0.840 16.8-142.1 -93.8 113.2 2.6 34.0 -9.5 46 46 A E E -a 15 0A 83 -2,-0.7 -30,-0.1 -32,-0.2 -32,-0.1 -0.682 16.5-126.5 -82.3 121.2 6.1 32.8 -8.6 47 47 A G > - 0 0 7 -32,-1.9 3,-2.1 -2,-0.6 20,-0.1 -0.098 30.5 -96.5 -60.9 162.2 6.2 29.8 -6.3 48 48 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 19,-0.2 -32,-0.1 0.658 120.0 55.3 -58.0 -22.9 8.1 29.8 -3.0 49 49 A L T > S+ 0 0 3 15,-0.1 3,-2.3 14,-0.1 -1,-0.3 0.344 72.9 128.7 -95.9 8.6 11.2 28.1 -4.4 50 50 A T T < S+ 0 0 29 -3,-2.1 3,-0.1 1,-0.3 -4,-0.0 -0.452 81.6 13.0 -63.0 128.7 11.7 30.6 -7.2 51 51 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.486 101.2 126.5 81.4 3.3 15.3 31.7 -7.0 52 52 A R < - 0 0 100 -3,-2.3 2,-0.4 2,-0.0 -28,-0.3 -0.585 43.6-153.1 -94.3 160.2 16.3 28.9 -4.7 53 53 A Y + 0 0 99 -2,-0.2 5,-0.2 -3,-0.1 3,-0.1 -0.988 29.0 158.0-139.3 126.2 19.2 26.5 -5.1 54 54 A D B > -F 57 0B 22 3,-2.1 3,-1.5 -2,-0.4 2,-0.8 -0.301 62.2-105.1-139.4 53.2 19.7 22.9 -3.8 55 55 A Y T 3 S+ 0 0 84 1,-0.3 -1,-0.2 3,-0.1 526,-0.1 -0.506 106.4 11.3 72.7-100.8 22.3 21.7 -6.4 56 56 A Y T 3 S+ 0 0 21 -2,-0.8 -1,-0.3 524,-0.2 2,-0.3 0.560 135.9 38.2 -87.0 -5.6 20.4 19.3 -8.7 57 57 A R B < S-F 54 0B 7 -3,-1.5 -3,-2.1 -37,-0.2 -37,-0.2 -0.824 80.9-116.4-139.4 170.7 17.0 20.4 -7.3 58 58 A S S S- 0 0 0 -39,-1.2 2,-0.3 -41,-0.3 -3,-0.1 0.715 85.0 -39.7 -82.7 -21.2 15.2 23.5 -6.0 59 59 A G S S- 0 0 0 -5,-0.2 -1,-0.2 -40,-0.2 -5,-0.1 -0.973 82.6 -43.5 175.2-179.2 14.8 22.4 -2.5 60 60 A S > - 0 0 32 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.109 58.4-103.4 -63.8 164.8 14.0 19.4 -0.2 61 61 A I H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.944 124.6 46.9 -53.5 -50.1 11.1 17.0 -1.0 62 62 A Q H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 110.6 51.4 -64.0 -40.7 9.0 18.7 1.7 63 63 A E H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 111.2 48.4 -61.1 -40.7 9.8 22.2 0.5 64 64 A R H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.895 110.6 49.9 -68.0 -40.6 8.9 21.3 -3.1 65 65 A A H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.926 110.8 50.3 -63.7 -41.9 5.6 19.7 -2.0 66 66 A K H X S+ 0 0 144 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.894 108.1 54.3 -60.5 -39.7 4.8 22.9 0.0 67 67 A E H X S+ 0 0 1 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.941 113.8 39.8 -60.7 -51.0 5.6 25.0 -3.0 68 68 A L H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-0.7 0.925 111.9 55.6 -66.4 -43.6 3.1 23.1 -5.2 69 69 A N H 3X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.852 100.9 59.5 -62.8 -31.6 0.5 22.8 -2.6 70 70 A A H 3X S+ 0 0 58 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.3 0.875 108.9 45.0 -62.5 -34.9 0.4 26.5 -2.1 71 71 A L H X< S+ 0 0 5 -4,-0.9 3,-0.7 -3,-0.7 6,-0.3 0.903 111.7 51.0 -71.7 -44.1 -0.5 26.9 -5.7 72 72 A I H 3< S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 114.0 45.3 -58.5 -41.8 -3.1 24.2 -5.7 73 73 A R H 3< S+ 0 0 141 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.538 89.1 98.6 -80.5 -12.0 -4.8 25.7 -2.6 74 74 A N X< - 0 0 43 -3,-0.7 3,-1.7 -4,-0.5 -4,-0.0 -0.705 59.7-158.0 -82.0 116.1 -4.8 29.3 -3.9 75 75 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.659 88.0 64.6 -74.8 -9.3 -8.2 30.1 -5.4 76 76 A N T 3 S+ 0 0 119 -65,-0.0 -64,-0.6 2,-0.0 2,-0.5 0.573 83.6 90.6 -81.8 -11.5 -6.7 32.9 -7.5 77 77 A V E < +b 12 0A 5 -3,-1.7 -64,-0.2 -6,-0.3 3,-0.1 -0.774 44.3 173.9 -95.5 126.1 -4.6 30.5 -9.6 78 78 A S E + 0 0 33 -66,-2.2 29,-2.0 -2,-0.5 2,-0.3 0.620 69.5 28.2 -97.9 -22.4 -6.2 29.1 -12.7 79 79 A C E -bc 13 107A 0 -67,-1.1 -65,-2.9 27,-0.2 2,-0.5 -0.991 61.9-154.8-150.2 134.8 -3.2 27.3 -14.2 80 80 A I E +bc 14 108A 0 27,-3.0 29,-2.4 -2,-0.3 2,-0.4 -0.977 20.1 179.9-119.3 117.7 -0.2 25.6 -12.6 81 81 A M E -bc 15 109A 0 -67,-2.8 -65,-1.4 -2,-0.5 29,-0.2 -0.970 25.2-125.2-126.0 132.3 2.9 25.4 -14.8 82 82 A S E -b 16 0A 0 27,-1.2 53,-2.6 -2,-0.4 -65,-0.2 -0.466 10.1-141.6 -70.6 147.8 6.3 23.9 -14.1 83 83 A T S S- 0 0 0 -67,-2.5 53,-2.3 1,-0.4 2,-0.3 0.877 79.9 -37.2 -73.4 -35.6 9.3 26.1 -14.7 84 84 A I - 0 0 35 -68,-0.4 -1,-0.4 52,-0.1 -65,-0.4 -0.919 60.6-123.7-173.6 166.8 11.2 23.1 -16.0 85 85 A G + 0 0 7 -2,-0.3 -65,-2.1 -3,-0.1 2,-0.3 0.414 29.9 159.2 -94.8-128.7 11.4 19.3 -15.2 86 86 A G - 0 0 31 -67,-0.2 -1,-0.1 1,-0.1 27,-0.1 -0.911 64.0 -62.2 141.8-111.0 14.5 17.3 -14.4 87 87 A M S S+ 0 0 35 -2,-0.3 3,-0.3 26,-0.1 -1,-0.1 0.437 108.3 71.4-146.1 -12.0 14.2 14.0 -12.6 88 88 A N > + 0 0 0 1,-0.2 3,-1.2 2,-0.1 4,-0.3 0.243 52.3 106.1-117.8 16.7 12.6 14.4 -9.2 89 89 A S G > S+ 0 0 0 1,-0.2 3,-2.0 2,-0.2 4,-0.4 0.843 73.8 69.3 -62.6 -32.7 9.0 15.3 -9.4 90 90 A N G > S+ 0 0 1 -3,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.784 84.8 70.9 -60.9 -23.5 7.9 11.8 -8.3 91 91 A S G < S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.760 93.9 56.0 -58.6 -29.4 9.3 12.6 -4.8 92 92 A L G X> S+ 0 0 0 -3,-2.0 3,-2.3 -4,-0.3 4,-0.5 0.641 79.9 94.1 -76.7 -20.9 6.4 15.0 -4.2 93 93 A L G X4 S+ 0 0 0 -3,-1.2 3,-0.8 -4,-0.4 -1,-0.2 0.793 79.8 51.1 -53.4 -41.8 3.6 12.5 -4.9 94 94 A P G 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.673 114.6 46.6 -64.2 -13.6 2.9 11.3 -1.3 95 95 A Y G <4 S+ 0 0 59 -3,-2.3 -2,-0.2 -4,-0.1 2,-0.2 0.383 80.6 114.2-116.4 -2.3 2.5 14.9 -0.1 96 96 A I S << S- 0 0 11 -3,-0.8 2,-1.7 -4,-0.5 3,-0.2 -0.483 70.1-120.9 -77.5 142.2 0.3 16.6 -2.7 97 97 A D > + 0 0 38 1,-0.2 4,-1.9 -32,-0.2 5,-0.1 -0.627 40.9 166.4 -84.7 81.5 -3.1 17.8 -1.6 98 98 A Y H > S+ 0 0 20 -2,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.842 73.1 58.8 -64.2 -33.1 -5.2 15.8 -4.1 99 99 A D H > S+ 0 0 124 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.907 106.0 47.6 -63.1 -45.0 -8.4 16.6 -2.1 100 100 A A H > S+ 0 0 15 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.928 114.1 47.8 -63.7 -40.3 -7.8 20.4 -2.6 101 101 A F H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.948 109.2 53.0 -62.9 -45.5 -7.2 19.8 -6.3 102 102 A Q H 3< S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.869 113.2 44.0 -58.8 -37.6 -10.3 17.6 -6.7 103 103 A N H 3< S+ 0 0 121 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.554 124.9 32.2 -92.4 -2.9 -12.5 20.2 -5.2 104 104 A N S << S- 0 0 91 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.1 -0.500 85.7-161.1-145.1 67.5 -11.0 23.1 -7.1 105 105 A P + 0 0 38 0, 0.0 -100,-0.7 0, 0.0 2,-0.3 -0.246 17.9 167.8 -62.6 135.0 -10.0 21.7 -10.4 106 106 A K - 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