==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-SEP-11 3TYX . COMPND 2 MOLECULE: MICROCIN IMMUNITY PROTEIN MCCF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR B.NOCEK,M.GU,M.ZHOU,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STR . 667 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 9.1 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 . 53 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 22.8 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 5 2 2 0 0 2 0 2 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 6 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 . 4 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 N 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.7 7.5 52.7 12.9 2 0 A A - 0 0 97 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.270 360.0-162.1 -41.6 152.9 9.1 50.9 9.7 3 1 A M - 0 0 67 1,-0.1 -1,-0.1 125,-0.0 125,-0.1 -0.879 27.5 -72.9-139.3 162.5 7.7 47.5 8.8 4 2 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 100,-0.0 -0.252 50.7-178.4 -61.8 145.4 8.5 44.3 6.9 5 3 A L - 0 0 20 124,-0.1 2,-0.2 102,-0.1 329,-0.2 -0.958 28.1-107.5-143.7 148.0 8.3 44.7 3.2 6 4 A P - 0 0 0 0, 0.0 329,-2.0 0, 0.0 102,-0.2 -0.564 43.1 -98.5 -75.1 150.1 8.8 42.4 0.3 7 5 A K - 0 0 62 100,-0.6 102,-0.2 327,-0.2 3,-0.1 -0.404 47.0-101.3 -64.0 138.4 11.9 42.8 -1.9 8 6 A S - 0 0 25 327,-2.3 2,-0.2 1,-0.1 152,-0.2 -0.213 43.7 -99.4 -46.7 154.2 11.2 44.7 -5.1 9 7 A L - 0 0 2 150,-3.3 2,-0.3 147,-0.1 -1,-0.1 -0.608 41.2-160.9 -81.5 147.1 10.8 42.6 -8.2 10 8 A K > - 0 0 142 -2,-0.2 3,-1.8 -3,-0.1 70,-0.1 -0.929 29.7 -91.7-126.5 146.5 13.9 42.3 -10.4 11 9 A Y T 3 S+ 0 0 128 -2,-0.3 33,-0.1 1,-0.3 32,-0.1 -0.305 115.1 30.8 -57.2 140.5 14.3 41.3 -14.1 12 10 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.389 89.6 142.0 91.5 -2.4 14.9 37.6 -14.2 13 11 A D < - 0 0 27 -3,-1.8 32,-2.6 1,-0.1 2,-0.5 -0.347 54.9-113.1 -73.7 152.7 12.9 36.8 -11.1 14 12 A T E -ab 45 79A 25 64,-0.6 66,-2.1 30,-0.2 67,-1.1 -0.732 23.6-158.1 -81.5 128.2 10.8 33.8 -10.7 15 13 A I E -ab 46 81A 0 30,-3.3 32,-3.0 -2,-0.5 2,-0.5 -0.954 12.2-145.7-103.3 119.0 7.0 34.5 -10.5 16 14 A G E -ab 47 82A 0 65,-3.9 67,-2.6 -2,-0.6 2,-0.3 -0.790 14.9-159.6 -86.3 129.9 5.2 31.6 -8.8 17 15 A I E +ab 48 83A 0 30,-2.9 32,-1.4 -2,-0.5 2,-0.3 -0.862 14.5 169.9-115.8 147.1 1.7 31.0 -10.1 18 16 A Y E - b 0 84A 0 65,-1.4 67,-2.8 -2,-0.3 68,-0.4 -0.973 31.8-134.8-152.4 157.7 -1.1 29.1 -8.4 19 17 A S + 0 0 0 -2,-0.3 41,-0.3 65,-0.2 42,-0.1 -0.774 24.2 172.6-121.6 80.1 -4.9 28.6 -9.0 20 18 A P S S- 0 0 0 0, 0.0 73,-0.2 0, 0.0 74,-0.1 0.577 77.4 -4.1 -71.6 -7.3 -6.6 29.1 -5.6 21 19 A S S S+ 0 0 0 1,-0.4 39,-1.6 65,-0.3 40,-0.2 0.132 116.2 41.8-143.5-103.3 -10.0 28.8 -7.3 22 20 A S S S- 0 0 37 65,-2.1 2,-1.5 37,-0.2 -1,-0.4 -0.393 70.9-124.4 -69.6 143.4 -11.1 28.4 -10.9 23 21 A P >> + 0 0 6 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.394 52.0 150.4 -83.6 55.4 -9.0 26.0 -13.1 24 22 A V H 3> + 0 0 4 -2,-1.5 4,-2.5 1,-0.3 8,-0.3 0.792 62.9 67.1 -60.3 -27.6 -8.2 28.6 -15.8 25 23 A T H 34 S+ 0 0 8 -3,-0.3 -1,-0.3 1,-0.2 8,-0.1 0.788 113.3 33.1 -69.0 -23.6 -4.9 26.9 -16.7 26 24 A Y H <4 S+ 0 0 132 -3,-1.3 -1,-0.2 28,-0.3 -2,-0.2 0.793 123.1 42.9 -89.5 -42.5 -7.0 24.0 -18.0 27 25 A T H < S+ 0 0 74 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.747 122.8 34.4 -90.1 -20.9 -10.1 25.8 -19.3 28 26 A S X + 0 0 12 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 -0.601 68.7 157.9-127.4 73.9 -8.4 28.7 -21.1 29 27 A P H > S+ 0 0 56 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.837 70.7 51.1 -71.5 -34.0 -5.1 27.3 -22.4 30 28 A K H > S+ 0 0 128 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 112.2 44.7 -74.1 -42.9 -4.4 29.8 -25.1 31 29 A R H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.957 116.3 49.2 -60.2 -47.2 -4.8 32.8 -22.8 32 30 A F H X S+ 0 0 5 -4,-2.2 4,-2.5 -8,-0.3 5,-0.2 0.935 113.1 45.0 -56.8 -53.2 -2.7 31.0 -20.2 33 31 A E H X S+ 0 0 89 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.911 115.4 49.6 -60.1 -36.8 0.1 30.1 -22.6 34 32 A R H X S+ 0 0 55 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.842 109.5 50.2 -73.3 -30.4 -0.0 33.6 -24.0 35 33 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.918 111.0 49.0 -73.5 -42.2 0.1 35.2 -20.6 36 34 A K H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.951 112.0 49.5 -55.2 -49.8 3.1 33.1 -19.7 37 35 A S H X S+ 0 0 71 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.839 105.1 57.5 -62.6 -36.4 4.8 34.0 -22.9 38 36 A Y H X S+ 0 0 30 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.917 113.6 38.0 -60.7 -42.4 4.2 37.7 -22.4 39 37 A L H <>S+ 0 0 0 -4,-1.7 5,-2.3 -3,-0.4 4,-0.3 0.765 113.5 56.5 -81.7 -26.8 6.1 37.7 -19.1 40 38 A L H ><5S+ 0 0 82 -4,-2.1 3,-2.2 -5,-0.2 -2,-0.2 0.968 105.3 52.3 -69.3 -45.9 8.7 35.3 -20.3 41 39 A Q H 3<5S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 103.7 57.0 -55.3 -39.8 9.5 37.7 -23.1 42 40 A K T 3<5S- 0 0 60 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.513 128.3 -96.7 -71.3 -7.3 9.9 40.5 -20.6 43 41 A G T < 5S+ 0 0 40 -3,-2.2 -31,-0.3 1,-0.3 -3,-0.2 0.438 81.8 124.1 108.7 3.1 12.6 38.5 -18.9 44 42 A F < - 0 0 6 -5,-2.3 2,-0.4 -32,-0.1 -1,-0.3 -0.501 51.1-133.6 -92.2 164.9 10.8 36.7 -16.0 45 43 A H E -a 14 0A 103 -32,-2.6 -30,-3.3 -2,-0.1 2,-0.5 -0.950 13.8-144.6-116.5 137.3 10.6 33.1 -15.2 46 44 A I E -a 15 0A 12 -2,-0.4 2,-0.6 -32,-0.2 -30,-0.2 -0.881 3.4-158.4-101.6 128.4 7.3 31.4 -14.3 47 45 A L E -a 16 0A 58 -32,-3.0 -30,-2.9 -2,-0.5 2,-0.5 -0.959 21.5-139.6 -99.7 118.5 7.2 28.6 -11.7 48 46 A E E -a 17 0A 84 -2,-0.6 -30,-0.1 -32,-0.2 -32,-0.1 -0.676 18.5-123.7 -86.1 123.0 4.0 26.7 -12.4 49 47 A G > - 0 0 6 -32,-1.4 3,-2.5 -2,-0.5 20,-0.1 -0.205 29.8 -97.7 -65.5 161.8 2.2 25.6 -9.1 50 48 A S T 3 S+ 0 0 65 1,-0.3 -1,-0.1 19,-0.2 -32,-0.1 0.618 121.3 52.1 -55.7 -19.4 1.4 22.0 -8.5 51 49 A L T > S+ 0 0 1 15,-0.1 3,-1.6 14,-0.1 -1,-0.3 0.291 75.2 129.1-104.0 14.0 -2.2 22.4 -9.7 52 50 A T T < S+ 0 0 30 -3,-2.5 3,-0.1 1,-0.3 -4,-0.0 -0.434 79.8 13.8 -67.8 137.8 -1.4 23.9 -13.0 53 51 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.266 100.5 126.1 82.3 -13.4 -3.2 22.1 -15.8 54 52 A R < - 0 0 124 -3,-1.6 2,-0.4 2,-0.0 -28,-0.3 -0.472 44.4-156.1 -84.7 155.7 -5.5 20.3 -13.3 55 53 A Y + 0 0 105 -2,-0.1 5,-0.2 -3,-0.1 3,-0.1 -0.960 28.5 160.0-138.7 112.9 -9.3 20.3 -13.5 56 54 A D B > -F 59 0B 25 3,-2.3 3,-1.4 -2,-0.4 2,-1.0 -0.363 62.1-107.2-123.1 48.7 -11.9 19.7 -10.6 57 55 A Y T 3 S+ 0 0 98 1,-0.3 -1,-0.2 3,-0.1 552,-0.1 -0.465 105.3 14.0 69.6 -96.5 -14.8 21.4 -12.4 58 56 A Y T 3 S+ 0 0 19 -2,-1.0 -1,-0.3 550,-0.2 2,-0.3 0.632 134.7 40.1 -86.9 -14.1 -15.4 24.7 -10.6 59 57 A R B < S-F 56 0B 9 -3,-1.4 -3,-2.3 -37,-0.2 -37,-0.2 -0.848 77.3-122.7-129.2 170.0 -12.1 24.5 -8.9 60 58 A S S S- 0 0 3 -39,-1.6 2,-0.3 -41,-0.3 -3,-0.1 0.700 85.7 -40.8 -78.7 -25.3 -8.5 23.5 -9.6 61 59 A G S S- 0 0 2 -40,-0.2 -1,-0.2 -5,-0.2 -5,-0.1 -0.964 81.0 -45.4 176.1-178.1 -8.4 21.0 -6.8 62 60 A S > - 0 0 28 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.148 58.2-101.5 -69.8 166.2 -9.4 20.2 -3.2 63 61 A I H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.952 125.0 44.1 -51.8 -50.6 -9.1 22.6 -0.4 64 62 A Q H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.882 111.6 53.3 -63.9 -40.9 -6.0 20.8 0.8 65 63 A E H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 111.5 46.1 -61.9 -37.1 -4.5 20.4 -2.6 66 64 A R H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.890 110.9 51.1 -77.7 -36.9 -4.9 24.2 -3.2 67 65 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.931 110.0 52.7 -61.6 -45.0 -3.4 25.1 0.2 68 66 A K H X S+ 0 0 134 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.877 106.9 51.8 -55.4 -44.2 -0.5 22.8 -0.7 69 67 A E H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -19,-0.2 0.928 114.9 40.5 -60.2 -50.6 0.1 24.5 -4.1 70 68 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.906 112.3 55.0 -68.0 -42.7 0.3 28.0 -2.6 71 69 A N H X S+ 0 0 10 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.823 103.0 56.4 -62.0 -32.4 2.3 26.9 0.5 72 70 A A H < S+ 0 0 57 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.896 109.8 46.7 -67.6 -39.6 5.0 25.3 -1.7 73 71 A L H >< S+ 0 0 6 -4,-1.2 3,-1.1 1,-0.2 6,-0.2 0.920 111.8 50.6 -63.0 -44.6 5.4 28.7 -3.4 74 72 A I H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.880 113.1 45.5 -62.9 -36.4 5.5 30.5 -0.1 75 73 A R T 3< S+ 0 0 147 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.499 90.4 98.7 -84.6 -5.1 8.2 28.1 1.2 76 74 A N X - 0 0 40 -3,-1.1 3,-1.6 -4,-0.4 -4,-0.0 -0.760 58.6-161.2 -94.3 113.6 10.3 28.4 -1.9 77 75 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.645 86.1 62.6 -71.3 -15.5 13.1 30.9 -1.4 78 76 A N T 3 S+ 0 0 124 -65,-0.0 -64,-0.6 2,-0.0 2,-0.6 0.439 82.5 95.5 -85.5 -2.6 13.7 31.3 -5.2 79 77 A V E < +b 14 0A 4 -3,-1.6 -64,-0.2 -6,-0.2 3,-0.1 -0.802 45.7 176.9 -92.8 123.2 10.2 32.7 -5.7 80 78 A S E + 0 0 36 -66,-2.1 29,-2.2 -2,-0.6 2,-0.4 0.674 69.2 24.8 -93.4 -21.9 10.1 36.6 -5.7 81 79 A C E -bc 15 109A 0 -67,-1.1 -65,-3.9 27,-0.2 2,-0.5 -0.994 61.6-153.1-152.7 133.6 6.4 37.0 -6.5 82 80 A I E -bc 16 110A 0 27,-3.3 29,-2.5 -2,-0.4 2,-0.4 -0.974 21.5-179.2-117.2 118.4 3.4 34.9 -6.0 83 81 A M E -bc 17 111A 0 -67,-2.6 -65,-1.4 -2,-0.5 29,-0.2 -0.948 24.6-128.1-126.7 126.7 0.6 35.6 -8.5 84 82 A S E -b 18 0A 0 27,-1.5 53,-2.3 -2,-0.4 -65,-0.2 -0.449 12.5-139.5 -69.7 150.7 -2.8 34.0 -8.8 85 83 A T S S- 0 0 0 -67,-2.8 53,-1.9 1,-0.4 2,-0.3 0.899 76.7 -36.4 -75.6 -39.7 -3.8 32.6 -12.3 86 84 A I - 0 0 32 -68,-0.4 -1,-0.4 52,-0.1 -65,-0.3 -0.943 62.9-110.6-167.0 177.0 -7.3 33.9 -11.9 87 85 A G + 0 0 2 -2,-0.3 -65,-2.1 -66,-0.1 2,-0.3 0.395 35.2 153.3 -96.3-134.6 -10.0 34.3 -9.2 88 86 A G - 0 0 26 -67,-0.2 27,-0.2 1,-0.1 -1,-0.1 -0.972 62.6 -66.2 140.9-137.9 -13.3 32.5 -8.7 89 87 A M S S+ 0 0 39 -2,-0.3 3,-0.4 -31,-0.2 -1,-0.1 0.471 108.3 68.7-121.9 -17.7 -15.1 31.9 -5.5 90 88 A N > + 0 0 0 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.273 53.5 103.6-110.0 13.1 -13.0 29.7 -3.4 91 89 A S G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.847 76.0 68.1 -60.3 -37.2 -9.8 31.3 -2.2 92 90 A N G > S+ 0 0 1 -3,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.740 86.6 71.1 -62.7 -17.5 -11.2 31.8 1.3 93 91 A S G < S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.824 93.2 55.8 -64.4 -30.0 -11.1 28.0 1.7 94 92 A L G X> S+ 0 0 0 -3,-1.9 3,-2.5 -4,-0.4 4,-0.6 0.721 81.1 93.5 -75.5 -19.4 -7.3 28.0 1.9 95 93 A L T <4 S+ 0 0 0 -3,-0.8 3,-0.4 -4,-0.4 -1,-0.2 0.683 80.9 49.4 -57.8 -38.8 -7.0 30.5 4.8 96 94 A P T 34 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.653 115.9 47.9 -68.9 -15.3 -6.8 28.2 7.8 97 95 A Y T <4 S+ 0 0 61 -3,-2.5 -2,-0.2 -4,-0.2 2,-0.2 0.434 81.1 113.2-110.0 -2.0 -4.1 26.2 6.0 98 96 A I S < S- 0 0 11 -4,-0.6 2,-1.6 -3,-0.4 3,-0.2 -0.445 70.4-123.8 -74.0 141.2 -1.7 28.8 4.7 99 97 A D > + 0 0 37 1,-0.2 4,-1.8 -32,-0.2 5,-0.1 -0.676 39.3 168.0 -87.8 85.2 1.8 28.9 6.2 100 98 A Y H > S+ 0 0 19 -2,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.861 72.5 58.5 -67.8 -35.4 1.7 32.6 7.3 101 99 A D H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.882 106.8 47.5 -65.6 -37.5 4.9 32.1 9.4 102 100 A A H > S+ 0 0 24 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.910 111.4 49.9 -74.0 -37.9 6.9 31.1 6.3 103 101 A F H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.967 111.9 50.7 -54.4 -50.3 5.5 34.0 4.3 104 102 A Q H 3< S+ 0 0 65 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.805 109.0 48.3 -61.4 -34.6 6.5 36.3 7.2 105 103 A N H 3< S+ 0 0 134 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.595 129.1 24.1 -86.7 -10.6 10.1 35.0 7.4 106 104 A N S << S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.1 -0.515 88.4-162.3-143.6 73.8 10.6 35.3 3.6 107 105 A P - 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