==== 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 27-JUL-11 3T5M . 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 . 668 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.0 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 . 60 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 22.6 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 4 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 . 3 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 4 4 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 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.3 52.2 -8.4 20.9 2 0 A A - 0 0 109 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.112 360.0-141.7 -71.2-177.8 50.7 -9.2 17.4 3 1 A M - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.975 22.7 -85.8-148.7 157.0 47.3 -8.2 16.0 4 2 A P - 0 0 72 0, 0.0 100,-0.0 0, 0.0 0, 0.0 -0.424 45.5-175.2 -62.1 131.8 44.3 -9.2 14.0 5 3 A L - 0 0 17 -2,-0.1 329,-0.2 124,-0.1 104,-0.1 -0.944 30.3-102.9-128.2 148.4 44.8 -8.6 10.3 6 4 A P - 0 0 0 0, 0.0 329,-1.7 0, 0.0 102,-0.2 -0.401 45.5-101.4 -66.4 152.2 42.4 -9.0 7.4 7 5 A K - 0 0 66 100,-0.5 102,-0.2 327,-0.2 3,-0.1 -0.450 46.9 -96.4 -69.2 148.8 42.9 -12.1 5.3 8 6 A S - 0 0 21 327,-2.6 152,-0.2 -2,-0.1 -1,-0.1 -0.316 41.3-102.1 -65.2 148.6 44.7 -11.5 2.1 9 7 A L - 0 0 3 150,-2.2 2,-0.3 147,-0.1 -1,-0.1 -0.437 42.3-170.4 -65.7 144.3 42.6 -11.1 -1.1 10 8 A K > - 0 0 131 -2,-0.1 3,-2.0 -3,-0.1 70,-0.1 -0.976 33.1 -84.1-137.4 152.0 42.4 -14.1 -3.3 11 9 A Y T 3 S+ 0 0 127 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.238 115.7 27.6 -54.4 139.9 41.1 -14.7 -6.8 12 10 A G T 3 S+ 0 0 50 31,-1.0 -1,-0.3 1,-0.3 32,-0.1 0.383 89.6 139.1 86.6 -3.6 37.4 -15.3 -6.9 13 11 A D < - 0 0 12 -3,-2.0 32,-2.4 1,-0.1 2,-0.6 -0.331 56.5-112.8 -67.4 155.8 36.9 -13.3 -3.7 14 12 A T E -ab 45 79A 34 64,-0.6 66,-2.1 30,-0.2 67,-1.3 -0.830 21.9-159.2 -96.0 123.5 33.9 -11.0 -3.5 15 13 A I E -ab 46 81A 0 30,-3.0 32,-1.9 -2,-0.6 2,-0.4 -0.914 11.6-151.8 -98.4 113.4 34.5 -7.3 -3.3 16 14 A G E -ab 47 82A 0 65,-2.7 67,-2.7 -2,-0.7 2,-0.4 -0.704 11.3-157.3 -83.3 136.2 31.5 -5.5 -1.9 17 15 A I E +ab 48 83A 0 30,-2.2 32,-1.4 -2,-0.4 2,-0.3 -0.912 14.1 174.1-119.0 144.6 31.0 -2.0 -3.1 18 16 A Y E - b 0 84A 0 65,-1.3 67,-2.3 -2,-0.4 68,-0.4 -0.951 29.2-131.9-143.6 159.5 29.1 0.8 -1.4 19 17 A S + 0 0 1 -2,-0.3 41,-0.2 65,-0.2 50,-0.1 -0.870 24.6 171.9-118.0 95.9 28.5 4.6 -1.9 20 18 A P S S- 0 0 0 0, 0.0 73,-0.2 0, 0.0 74,-0.1 0.617 76.5 -3.1 -80.6 -11.3 29.1 6.4 1.4 21 19 A S S S+ 0 0 0 1,-0.4 39,-1.7 65,-0.4 40,-0.2 0.131 114.9 41.8-139.8-103.8 28.8 9.8 -0.3 22 20 A S S S- 0 0 40 65,-1.9 2,-2.0 37,-0.2 -1,-0.4 -0.265 70.8-123.8 -66.1 142.6 28.3 10.8 -4.0 23 21 A P >> + 0 0 7 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.379 51.9 152.6 -81.6 62.0 25.8 8.9 -6.1 24 22 A V H 3> + 0 0 3 -2,-2.0 4,-2.4 1,-0.3 8,-0.2 0.763 61.2 63.6 -68.8 -29.0 28.4 8.0 -8.7 25 23 A T H 34 S+ 0 0 9 -3,-0.3 -1,-0.3 1,-0.2 8,-0.1 0.763 112.3 38.9 -68.9 -21.9 26.8 4.7 -9.9 26 24 A Y H <4 S+ 0 0 129 -3,-1.1 -2,-0.2 28,-0.3 -1,-0.2 0.864 121.3 41.1 -87.3 -44.1 23.8 6.8 -11.1 27 25 A T H < S+ 0 0 80 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.686 125.1 33.6 -83.5 -19.0 25.7 9.8 -12.4 28 26 A S X + 0 0 10 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.3 -0.551 65.8 155.9-135.6 69.3 28.5 8.0 -14.1 29 27 A P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.804 71.7 54.6 -71.1 -30.7 27.1 4.7 -15.4 30 28 A K H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.921 112.9 40.8 -68.5 -45.3 29.7 4.1 -18.2 31 29 A R H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.850 114.5 54.3 -73.4 -33.6 32.7 4.4 -15.9 32 30 A F H X S+ 0 0 16 -4,-1.9 4,-2.1 -8,-0.2 -2,-0.2 0.951 112.0 42.9 -61.2 -51.1 30.9 2.4 -13.2 33 31 A E H X S+ 0 0 100 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 114.9 50.8 -61.1 -42.4 30.2 -0.5 -15.6 34 32 A R H X S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.852 109.9 49.5 -66.7 -35.5 33.7 -0.3 -17.1 35 33 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.900 111.8 48.2 -70.2 -41.0 35.3 -0.4 -13.6 36 34 A K H X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 110.7 50.7 -67.0 -41.8 33.2 -3.4 -12.6 37 35 A S H X S+ 0 0 46 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.853 105.3 57.9 -64.8 -35.3 34.0 -5.3 -15.8 38 36 A Y H X S+ 0 0 37 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.930 111.0 41.1 -60.8 -45.2 37.7 -4.6 -15.3 39 37 A L H <>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 -1,-0.2 0.776 112.4 56.1 -74.8 -26.7 37.7 -6.4 -11.9 40 38 A L H ><5S+ 0 0 89 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.885 103.4 52.9 -71.7 -38.9 35.4 -9.2 -13.2 41 39 A Q H 3<5S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.674 103.7 59.0 -70.7 -17.1 37.9 -10.1 -16.0 42 40 A K T 3<5S- 0 0 69 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.515 126.6-102.2 -86.7 -8.6 40.6 -10.4 -13.3 43 41 A G T < 5S+ 0 0 38 -3,-1.3 -31,-1.0 1,-0.3 2,-0.3 0.574 78.0 129.7 102.9 12.7 38.4 -13.0 -11.7 44 42 A F < - 0 0 5 -5,-2.1 -1,-0.3 -33,-0.2 2,-0.3 -0.690 50.1-133.9 -95.8 151.1 36.8 -11.2 -8.8 45 43 A H E -a 14 0A 41 -32,-2.4 -30,-3.0 -2,-0.3 2,-0.5 -0.795 16.4-146.0 -97.6 147.7 33.1 -11.1 -8.0 46 44 A I E -a 15 0A 33 -2,-0.3 2,-0.7 -32,-0.2 -30,-0.2 -0.966 6.8-161.5-120.0 126.5 31.4 -7.9 -7.2 47 45 A L E -a 16 0A 65 -32,-1.9 -30,-2.2 -2,-0.5 2,-0.3 -0.905 20.1-141.4-105.1 107.3 28.5 -7.5 -4.7 48 46 A E E -a 17 0A 85 -2,-0.7 -30,-0.1 -32,-0.2 -32,-0.1 -0.507 18.4-121.7 -72.2 128.6 26.7 -4.2 -5.4 49 47 A G > - 0 0 8 -32,-1.4 3,-1.7 -2,-0.3 -31,-0.1 -0.151 28.5-102.5 -63.7 165.2 25.5 -2.4 -2.2 50 48 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 19,-0.2 -32,-0.1 0.672 119.3 56.6 -67.5 -18.5 21.8 -1.6 -1.7 51 49 A L T > S+ 0 0 1 15,-0.1 3,-1.7 14,-0.1 -1,-0.3 0.400 75.2 128.5 -94.5 3.2 22.3 2.0 -2.7 52 50 A T T < S+ 0 0 26 -3,-1.7 3,-0.1 1,-0.3 -4,-0.0 -0.391 79.8 10.9 -60.2 128.9 23.8 1.2 -6.1 53 51 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.156 100.5 123.7 90.2 -18.0 21.9 3.0 -8.9 54 52 A R < - 0 0 114 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 -0.400 46.0-153.8 -80.8 154.9 20.0 5.2 -6.4 55 53 A Y + 0 0 109 -3,-0.1 5,-0.2 -2,-0.1 3,-0.1 -0.957 29.0 161.5-137.6 114.3 20.1 9.1 -6.5 56 54 A D B > -F 59 0B 26 3,-2.2 3,-1.4 -2,-0.4 2,-0.6 -0.335 59.6-110.6-120.5 49.2 19.6 11.6 -3.7 57 55 A Y T 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.1 554,-0.1 -0.469 103.3 16.9 66.5-108.8 21.3 14.5 -5.5 58 56 A Y T 3 S+ 0 0 21 -2,-0.6 -1,-0.3 551,-0.2 2,-0.3 0.625 135.7 34.4 -73.0 -10.3 24.6 15.3 -3.7 59 57 A R B < S-F 56 0B 8 -3,-1.4 -3,-2.2 -37,-0.2 -37,-0.2 -0.880 80.3-116.7-139.2 171.1 24.5 11.9 -2.0 60 58 A S S S- 0 0 3 -39,-1.7 2,-0.3 -2,-0.3 -3,-0.1 0.693 86.0 -44.5 -81.8 -20.9 23.4 8.3 -2.6 61 59 A G S S- 0 0 0 -40,-0.2 -1,-0.2 -5,-0.2 -5,-0.1 -0.979 80.7 -41.3 173.6-176.8 20.8 8.4 0.2 62 60 A S > - 0 0 29 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.161 60.0-102.9 -65.2 164.3 20.0 9.4 3.7 63 61 A I H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 123.3 47.4 -54.1 -46.2 22.5 8.9 6.5 64 62 A Q H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 110.1 51.9 -66.9 -40.2 20.6 5.8 7.8 65 63 A E H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 111.3 48.1 -60.4 -40.8 20.3 4.3 4.3 66 64 A R H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.878 110.6 49.0 -72.0 -38.1 24.1 4.7 3.8 67 65 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.859 111.6 52.2 -66.4 -34.7 25.0 3.2 7.1 68 66 A K H X S+ 0 0 55 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.896 107.1 52.0 -66.6 -41.6 22.7 0.3 6.3 69 67 A E H X S+ 0 0 1 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.946 115.2 40.6 -59.6 -50.6 24.4 -0.3 2.9 70 68 A L H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.909 112.8 53.7 -67.2 -43.4 27.8 -0.5 4.5 71 69 A N H 3X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.801 102.1 59.4 -64.7 -29.2 26.8 -2.5 7.5 72 70 A A H 3< S+ 0 0 56 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.853 108.9 44.5 -66.0 -34.9 25.2 -5.1 5.2 73 71 A L H X< S+ 0 0 7 -4,-1.0 3,-1.1 -3,-0.6 6,-0.2 0.886 112.0 52.0 -74.2 -40.1 28.6 -5.6 3.6 74 72 A I H 3< S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.856 111.0 47.6 -64.0 -35.8 30.4 -5.7 7.0 75 73 A R T 3< S+ 0 0 145 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.408 90.2 100.1 -87.4 1.9 28.0 -8.3 8.3 76 74 A N X - 0 0 42 -3,-1.1 3,-1.6 1,-0.1 -4,-0.0 -0.814 57.9-160.7 -96.7 113.4 28.4 -10.5 5.2 77 75 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.703 87.2 62.0 -64.3 -22.4 30.8 -13.4 5.7 78 76 A N T 3 S+ 0 0 125 -65,-0.0 -64,-0.6 2,-0.0 2,-0.6 0.432 83.0 92.2 -87.8 -0.8 31.3 -13.9 2.0 79 77 A V E < +b 14 0A 3 -3,-1.6 -64,-0.2 -6,-0.2 3,-0.1 -0.852 44.3 175.1 -96.1 124.5 32.8 -10.5 1.4 80 78 A S E S+ 0 0 32 -66,-2.1 29,-2.0 -2,-0.6 2,-0.3 0.612 70.0 31.6 -99.9 -17.0 36.6 -10.4 1.6 81 79 A C E -bc 15 109A 0 -67,-1.3 -65,-2.7 27,-0.2 2,-0.5 -0.995 60.7-157.9-148.2 134.6 37.0 -6.7 0.6 82 80 A I E +bc 16 110A 0 27,-3.0 29,-2.4 -2,-0.3 2,-0.4 -0.966 21.2 178.1-117.9 117.9 34.8 -3.6 1.1 83 81 A M E -bc 17 111A 0 -67,-2.7 -65,-1.3 -2,-0.5 29,-0.2 -0.971 25.6-127.4-129.1 130.1 35.5 -0.8 -1.4 84 82 A S E -b 18 0A 0 27,-1.4 53,-2.3 -2,-0.4 -65,-0.2 -0.451 11.3-140.8 -72.5 147.9 33.9 2.6 -1.8 85 83 A T S S- 0 0 0 -67,-2.3 53,-1.8 1,-0.3 2,-0.3 0.843 76.8 -34.5 -75.3 -35.2 32.6 3.5 -5.3 86 84 A I - 0 0 33 -68,-0.4 -65,-0.4 52,-0.1 -1,-0.3 -0.959 62.7-108.2-175.1 167.4 33.8 7.1 -4.9 87 85 A G + 0 0 9 -2,-0.3 -65,-1.9 -3,-0.1 2,-0.3 0.305 35.1 152.5 -87.0-142.3 34.3 9.8 -2.3 88 86 A G - 0 0 29 -67,-0.2 27,-0.1 1,-0.1 -1,-0.1 -0.972 61.1 -68.3 150.6-135.6 32.4 13.0 -1.7 89 87 A M S S+ 0 0 42 -2,-0.3 3,-0.4 -31,-0.2 -1,-0.1 0.515 108.6 66.3-123.3 -13.9 31.9 15.0 1.5 90 88 A N > + 0 0 0 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.123 53.4 104.9-119.8 23.3 29.6 12.9 3.7 91 89 A S G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.842 76.9 67.5 -65.6 -32.9 31.2 9.6 4.8 92 90 A N G > S+ 0 0 2 -3,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.734 85.1 72.5 -65.8 -19.2 31.7 11.0 8.3 93 91 A S G < S+ 0 0 3 -3,-0.8 -1,-0.3 1,-0.2 4,-0.2 0.830 94.5 53.7 -57.8 -33.4 27.9 11.0 8.8 94 92 A L G X> S+ 0 0 0 -3,-1.7 3,-2.1 -4,-0.3 4,-0.7 0.676 80.3 94.1 -78.8 -18.9 28.0 7.2 9.0 95 93 A L G X4 S+ 0 0 0 -3,-0.8 3,-0.7 -4,-0.4 -1,-0.2 0.792 81.5 51.1 -53.4 -40.0 30.5 6.9 11.8 96 94 A P G 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.744 114.6 44.9 -68.5 -18.1 28.2 6.7 14.8 97 95 A Y G <4 S+ 0 0 64 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.1 0.400 81.7 116.5-110.4 -0.5 26.1 3.9 13.1 98 96 A I << - 0 0 10 -3,-0.7 2,-1.5 -4,-0.7 3,-0.2 -0.441 68.8-123.0 -72.8 142.4 28.7 1.5 11.8 99 97 A D > + 0 0 41 -32,-0.2 4,-1.7 1,-0.2 5,-0.1 -0.659 40.5 165.6 -86.7 85.7 28.9 -2.0 13.2 100 98 A Y H > S+ 0 0 21 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.775 73.1 58.0 -74.5 -27.9 32.5 -2.0 14.4 101 99 A D H > S+ 0 0 132 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.916 107.3 47.5 -66.4 -42.7 31.9 -5.1 16.5 102 100 A A H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.893 111.4 50.6 -65.3 -40.5 30.8 -7.0 13.4 103 101 A F H < S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.935 112.1 46.8 -62.3 -44.6 33.8 -5.8 11.5 104 102 A Q H < S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.737 107.9 57.2 -71.4 -23.0 36.2 -6.8 14.2 105 103 A N H < S+ 0 0 144 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 127.7 16.7 -75.2 -30.5 34.4 -10.2 14.5 106 104 A N S < S- 0 0 59 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 -0.562 88.8-154.2-141.4 74.6 35.2 -10.8 10.8 107 105 A P - 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0 0 0 -6,-0.5 -1,-0.3 -126,-0.1 -2,-0.2 -0.704 60.6-113.4 -85.0 125.7 38.3 37.9 27.5 464 128 B P - 0 0 0 0, 0.0 -20,-0.3 0, 0.0 2,-0.2 -0.261 34.2-164.5 -58.1 144.0 35.0 38.0 25.6 465 129 B T E - U 0 648H 0 183,-1.0 183,-2.9 -22,-0.1 2,-0.5 -0.734 15.7-111.6-123.3 175.9 35.3 38.8 21.9 466 130 B F E -tU 445 647H 1 -22,-2.7 -20,-1.4 -2,-0.2 2,-0.9 -0.929 5.8-152.0-128.1 122.2 32.7 39.8 19.3 467 131 B Y E +tU 446 646H 1 179,-2.7 179,-2.8 -2,-0.5 -20,-0.2 -0.785 62.6 92.3 -83.3 108.6 31.2 38.2 16.3 468 132 B G + 0 0 0 -22,-2.1 177,-0.1 -2,-0.9 176,-0.1 -0.874 64.0 3.9-172.0-162.3 30.3 41.1 14.2 469 133 B P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -51,-0.2 0.002 41.8-157.3 -48.3 134.5 31.2 43.6 11.5 470 134 B A >> - 0 0 1 -24,-0.2 4,-1.6 -53,-0.1 5,-0.8 -0.855 33.0-112.9-100.4 151.3 34.4 43.4 9.5 471 135 B L H >5S+ 0 0 0 -53,-2.5 4,-1.4 -2,-0.3 5,-0.4 0.910 103.0 34.5 -55.6 -55.1 35.4 46.7 8.0 472 136 B V H >5S+ 0 0 0 -53,-2.0 4,-1.0 3,-0.2 -1,-0.2 0.959 123.3 36.0 -77.2 -52.3 34.9 46.2 4.2 473 137 B P H 45S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.908 127.7 35.8 -66.9 -36.7 32.0 43.8 3.8 474 138 B S H <5S+ 0 0 2 -4,-1.6 3,-0.3 2,-0.1 -3,-0.2 0.930 129.3 27.2 -85.2 -47.8 30.0 45.2 6.7 475 139 B F H < - 0 0 40 37,-0.3 4,-1.3 1,-0.2 3,-0.3 -0.261 49.8 -44.6 -75.1 168.5 25.6 50.8 0.8 479 143 B E T 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.2 2,-0.0 -0.376 110.5 30.3 -62.5 153.7 22.4 52.1 2.3 480 144 B P T >> S+ 0 0 53 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.977 121.0 41.8 -87.1 -21.7 20.0 51.0 3.7 481 145 B F H >> S+ 0 0 3 -3,-0.3 4,-2.2 1,-0.3 3,-0.6 0.768 102.9 64.5 -65.0 -31.0 21.5 48.0 5.4 482 146 B V H 3X S+ 0 0 3 -4,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.861 99.9 55.5 -61.0 -32.7 24.8 49.5 6.6 483 147 B D H <> S+ 0 0 47 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.805 107.4 48.2 -71.4 -29.2 22.8 51.8 8.9 484 148 B D H S+ 0 0 16 -4,-2.5 5,-2.4 1,-0.2 4,-2.1 0.895 109.4 59.3 -66.1 -42.0 26.7 50.8 18.7 491 155 B E H <5S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.893 116.4 31.8 -55.9 -41.8 24.1 48.9 20.8 492 156 B T H <5S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.897 130.6 29.5 -84.9 -41.5 26.7 46.2 21.8 493 157 B L H <5S+ 0 0 0 -4,-2.2 -150,-2.5 -5,-0.2 -3,-0.2 0.734 129.9 20.9 -96.6 -24.5 30.0 48.1 21.9 494 158 B L T <5S+ 0 0 29 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.818 94.2 87.3-116.2 -51.1 29.1 51.7 22.8 495 159 B H S -c 571 0M 7 -98,-0.4 4,-1.6 -2,-0.3 26,-0.2 -0.580 62.1-154.9 -69.4 120.7 31.8 30.4 11.5 547 211 B L H > S+ 0 0 1 24,-2.2 4,-1.2 -2,-0.5 -1,-0.2 0.881 90.9 54.3 -70.9 -39.7 31.6 26.6 11.5 548 212 B N H 4 S+ 0 0 33 23,-0.4 -1,-0.2 1,-0.2 3,-0.2 0.877 111.7 47.0 -58.7 -37.8 33.8 26.0 8.5 549 213 B T H >4 S+ 0 0 2 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.821 102.3 63.1 -75.2 -33.1 36.5 28.1 10.2 550 214 B I H >X S+ 0 0 4 -4,-1.6 3,-1.5 1,-0.3 4,-1.4 0.828 93.9 62.5 -61.5 -32.0 36.1 26.2 13.5 551 215 B Q T 3< S+ 0 0 12 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.600 97.1 60.9 -70.1 -9.7 37.2 23.0 11.8 552 216 B G T <4 S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.564 116.4 27.7 -91.0 -10.9 40.5 24.8 11.2 553 217 B I T X4 S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.3 5,-0.3 0.398 86.7 134.1-125.1 -2.0 41.2 25.3 14.9 554 218 B W T 3< S+ 0 0 25 -4,-1.4 -333,-0.1 1,-0.2 -3,-0.0 -0.196 74.2 14.6 -56.0 135.9 39.4 22.3 16.4 555 219 B G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 5,-0.1 -334,-0.1 0.259 102.4 112.6 87.6 -11.1 41.3 20.4 19.0 556 220 B S S X S- 0 0 8 -3,-1.9 3,-1.7 1,-0.1 -1,-0.3 -0.373 85.7-103.0 -90.7 169.3 44.0 23.1 19.4 557 221 B P T 3 S+ 0 0 79 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.612 119.7 64.0 -62.0 -11.0 44.8 25.3 22.5 558 222 B Y T 3 S+ 0 0 26 -5,-0.3 -99,-0.3 -303,-0.2 -98,-0.1 0.424 84.5 80.9 -98.8 -1.5 43.0 28.0 20.5 559 223 B M S < S- 0 0 15 -3,-1.7 -103,-0.1 -6,-0.2 2,-0.1 -0.927 84.1-127.5-102.3 117.4 39.6 26.4 20.5 560 224 B P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.416 31.8-107.3 -62.0 137.6 37.7 26.9 23.7 561 225 B C - 0 0 96 -102,-0.1 2,-0.3 -4,-0.1 0, 0.0 -0.506 30.0-125.8 -69.3 126.1 36.6 23.6 25.2 562 226 B I - 0 0 24 -2,-0.3 2,-0.2 -3,-0.0 -1,-0.1 -0.592 32.7-161.6 -75.4 131.3 32.8 23.2 24.8 563 227 B Q > - 0 0 111 -2,-0.3 3,-2.0 -22,-0.1 2,-0.2 -0.712 30.0 -79.4-116.6 160.5 31.3 22.4 28.2 564 228 B E T 3 S+ 0 0 106 1,-0.2 32,-0.2 -2,-0.2 31,-0.1 -0.416 118.0 24.0 -61.0 124.7 28.0 20.9 29.4 565 229 B G T 3 S+ 0 0 23 30,-2.3 -1,-0.2 1,-0.3 32,-0.2 0.157 86.8 139.5 106.4 -17.6 25.3 23.6 29.2 566 230 B D < - 0 0 9 -3,-2.0 31,-2.1 -26,-0.2 32,-0.8 -0.205 51.9-128.4 -56.2 147.7 26.9 25.8 26.5 567 231 B I E -cd 542 598M 0 -26,-2.2 -24,-2.4 29,-0.2 2,-0.6 -0.903 23.1-139.0 -95.7 125.7 24.8 27.3 23.8 568 232 B L E -cd 543 599M 5 30,-2.6 32,-2.8 -2,-0.5 2,-0.5 -0.765 17.7-171.2 -90.8 123.1 26.2 26.6 20.4 569 233 B F E +cd 544 600M 0 -26,-2.5 -24,-1.9 -2,-0.6 2,-0.4 -0.964 15.4 165.2-113.6 122.7 26.2 29.4 17.9 570 234 B I E +cd 545 601M 1 30,-2.3 32,-2.3 -2,-0.5 2,-0.3 -0.994 11.1 172.1-139.9 142.3 27.1 28.5 14.3 571 235 B E E -c 546 0M 0 -26,-1.8 -24,-2.2 -2,-0.4 -23,-0.4 -0.988 5.0-174.3-143.7 153.9 26.9 30.1 10.9 572 236 B D - 0 0 7 31,-0.4 33,-0.5 -2,-0.3 2,-0.3 -0.936 8.3-154.4-140.5 166.2 28.2 29.3 7.4 573 237 B S B -f 605 0N 5 -2,-0.3 33,-0.1 31,-0.2 3,-0.1 -0.997 63.2 -0.4-149.2 137.3 28.1 31.1 4.0 574 238 B S S S+ 0 0 70 31,-3.0 2,-0.2 -2,-0.3 32,-0.1 0.770 91.0 125.0 59.3 30.7 28.2 30.3 0.3 575 239 B K - 0 0 59 30,-0.2 33,-2.1 1,-0.0 2,-0.2 -0.536 55.0-121.0-104.2 177.4 28.6 26.5 0.9 576 240 B D B > -g 608 0O 48 31,-0.2 4,-2.0 -2,-0.2 3,-0.3 -0.659 32.5 -94.3-116.3 175.7 26.4 23.7 -0.5 577 241 B A H > S+ 0 0 0 31,-1.6 4,-2.1 1,-0.2 5,-0.2 0.869 122.0 55.3 -59.1 -39.2 24.4 21.0 1.2 578 242 B A H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 107.9 48.7 -60.4 -44.3 27.2 18.4 1.0 579 243 B T H > S+ 0 0 24 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.939 112.7 45.3 -64.8 -48.1 29.6 20.7 2.9 580 244 B I H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.823 107.4 58.0 -71.3 -29.2 27.3 21.6 5.7 581 245 B E H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.918 107.7 49.0 -62.4 -40.2 26.2 18.0 6.3 582 246 B R H X S+ 0 0 11 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.905 112.3 47.4 -64.0 -41.1 29.9 17.2 6.8 583 247 B S H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.905 112.3 48.8 -67.4 -41.9 30.3 20.1 9.3 584 248 B F H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.915 113.0 47.3 -63.0 -44.0 27.1 19.2 11.2 585 249 B S H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.842 104.9 61.3 -66.9 -32.9 28.2 15.5 11.4 586 250 B F H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.922 108.6 42.8 -57.8 -44.3 31.6 16.7 12.5 587 251 B L H ><>S+ 0 0 2 -4,-1.7 5,-2.0 2,-0.2 3,-0.6 0.943 112.8 54.9 -64.0 -46.2 30.0 18.3 15.6 588 252 B K H ><5S+ 0 0 42 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.907 109.0 44.3 -55.2 -50.1 27.8 15.2 16.0 589 253 B I H 3<5S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.661 107.0 61.0 -75.7 -15.2 30.7 12.7 16.2 590 254 B N T <<5S- 0 0 33 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.435 114.7-117.5 -86.0 -0.9 32.6 15.0 18.5 591 255 B G T X 5S+ 0 0 21 -3,-1.4 3,-0.6 -4,-0.3 -3,-0.2 0.723 71.7 137.4 74.3 23.2 29.8 14.7 21.0 592 256 B V G >>< + 0 0 3 -5,-2.0 4,-2.3 1,-0.2 3,-1.5 0.880 69.6 53.5 -67.3 -38.6 29.0 18.4 20.9 593 257 B F G 34 S+ 0 0 4 -6,-0.3 -1,-0.2 1,-0.3 -5,-0.1 0.568 100.8 60.8 -77.2 -9.0 25.2 17.8 20.8 594 258 B D G <4 S+ 0 0 113 -3,-0.6 -1,-0.3 -6,-0.1 -2,-0.2 0.413 115.5 35.4 -88.1 0.1 25.5 15.6 23.9 595 259 B K T <4 S+ 0 0 54 -3,-1.5 -30,-2.3 -4,-0.1 -2,-0.2 0.762 95.2 82.5-118.7 -51.4 26.8 18.7 25.7 596 260 B V < - 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