==== 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 29-SEP-11 3U1B . 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 . 669 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 11.8 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 . 55 8.2 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 . 152 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 6 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 . 4 2 3 5 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 -2 A S 0 0 144 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.9 4.2 64.8 11.1 2 -1 A N - 0 0 153 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.264 360.0 -90.7 -57.9 148.5 6.3 67.8 12.0 3 0 A A - 0 0 105 1,-0.0 -1,-0.1 3,-0.0 3,-0.0 -0.337 54.0-165.9 -58.4 144.7 8.1 69.5 9.2 4 1 A M - 0 0 74 -3,-0.1 2,-0.1 125,-0.0 125,-0.0 -0.832 30.7 -74.5-130.7 168.4 11.6 67.9 8.8 5 2 A P + 0 0 81 0, 0.0 100,-0.0 0, 0.0 0, 0.0 -0.518 56.3 177.8 -64.3 140.9 14.9 68.7 7.0 6 3 A L - 0 0 17 -2,-0.1 329,-0.2 124,-0.1 2,-0.1 -0.957 32.1-102.7-142.1 150.6 14.4 68.0 3.2 7 4 A P - 0 0 1 0, 0.0 329,-2.1 0, 0.0 102,-0.2 -0.437 45.0-100.8 -71.8 153.1 16.7 68.4 0.3 8 5 A K - 0 0 83 100,-0.5 102,-0.2 327,-0.2 3,-0.1 -0.471 45.5 -98.0 -68.9 143.5 16.2 71.5 -1.9 9 6 A S - 0 0 30 327,-2.9 152,-0.2 -2,-0.2 2,-0.2 -0.295 42.3-100.7 -58.2 149.8 14.3 70.8 -5.1 10 7 A L - 0 0 2 150,-2.4 2,-0.3 152,-0.1 -1,-0.1 -0.477 41.6-161.5 -67.5 141.3 16.4 70.3 -8.3 11 8 A K > - 0 0 63 -2,-0.2 3,-2.1 -3,-0.1 70,-0.1 -0.922 30.2 -92.1-124.5 152.0 16.5 73.5 -10.5 12 9 A Y T 3 S+ 0 0 132 -2,-0.3 33,-0.1 1,-0.3 32,-0.1 -0.360 116.5 30.2 -56.8 144.4 17.4 73.9 -14.1 13 10 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.371 89.8 137.4 84.1 -5.6 21.1 74.6 -14.3 14 11 A D < - 0 0 34 -3,-2.1 32,-2.3 1,-0.1 2,-0.5 -0.300 56.6-111.8 -68.8 161.5 21.9 72.7 -11.1 15 12 A T E -ab 46 80A 33 64,-0.5 66,-2.2 30,-0.2 67,-1.2 -0.833 22.3-156.0 -98.9 125.4 25.0 70.4 -10.9 16 13 A I E -ab 47 82A 0 30,-3.2 32,-2.6 -2,-0.5 2,-0.4 -0.898 10.2-150.1-100.4 116.6 24.5 66.6 -10.7 17 14 A G E -ab 48 83A 0 65,-3.2 67,-3.0 -2,-0.6 2,-0.3 -0.769 11.7-159.4 -84.5 138.8 27.4 64.8 -9.1 18 15 A I E +ab 49 84A 0 30,-2.5 32,-1.4 -2,-0.4 2,-0.3 -0.882 13.6 172.2-121.1 144.3 28.0 61.2 -10.3 19 16 A Y E - b 0 85A 0 65,-1.3 67,-2.1 -2,-0.3 68,-0.3 -0.971 28.9-133.5-147.0 161.2 29.9 58.4 -8.5 20 17 A S + 0 0 0 -2,-0.3 41,-0.3 65,-0.2 68,-0.1 -0.833 24.0 171.8-122.1 86.6 30.5 54.7 -9.0 21 18 A P S S- 0 0 0 0, 0.0 73,-0.2 0, 0.0 74,-0.1 0.546 76.0 -4.2 -74.5 -16.4 30.0 52.8 -5.8 22 19 A S S S+ 0 0 0 1,-0.4 39,-1.5 65,-0.4 40,-0.2 -0.021 115.5 43.2-135.3 -88.5 30.3 49.4 -7.4 23 20 A S S S- 0 0 40 65,-2.3 2,-2.0 37,-0.2 -1,-0.4 -0.303 71.2-125.9 -76.9 141.8 30.6 48.4 -11.1 24 21 A P >> + 0 0 7 0, 0.0 4,-2.0 0, 0.0 3,-1.6 -0.307 50.6 153.2 -82.7 57.1 33.1 50.4 -13.2 25 22 A V H 3> + 0 0 3 -2,-2.0 4,-2.5 1,-0.3 8,-0.2 0.743 62.7 63.6 -61.4 -28.2 30.5 51.2 -15.9 26 23 A T H 34 S+ 0 0 7 -3,-0.2 -1,-0.3 1,-0.2 8,-0.1 0.750 112.3 38.5 -71.7 -23.3 32.2 54.5 -17.0 27 24 A Y H <4 S+ 0 0 129 -3,-1.6 -2,-0.2 28,-0.3 -1,-0.2 0.854 121.8 41.1 -83.8 -44.9 35.1 52.4 -18.1 28 25 A T H < S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.739 125.3 31.0 -83.6 -22.1 33.3 49.4 -19.5 29 26 A S X + 0 0 11 -4,-2.5 4,-2.4 -5,-0.2 3,-0.2 -0.457 67.0 156.1-133.7 62.5 30.4 51.1 -21.3 30 27 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.779 70.9 56.9 -64.0 -29.7 31.9 54.5 -22.4 31 28 A K H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 111.8 40.2 -68.7 -45.0 29.4 54.9 -25.3 32 29 A R H > S+ 0 0 1 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 114.3 55.4 -70.5 -40.1 26.3 54.7 -23.1 33 30 A F H X S+ 0 0 5 -4,-2.4 4,-2.3 -8,-0.2 -2,-0.2 0.943 110.7 43.6 -55.0 -49.2 28.0 56.8 -20.4 34 31 A E H X S+ 0 0 95 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.875 113.5 51.8 -68.4 -36.8 28.8 59.6 -22.8 35 32 A R H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.901 110.3 48.2 -62.5 -43.0 25.3 59.5 -24.3 36 33 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.923 112.6 49.3 -65.7 -42.0 23.7 59.7 -20.8 37 34 A K H X S+ 0 0 22 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.958 111.0 48.9 -59.7 -50.2 25.9 62.6 -19.9 38 35 A S H X S+ 0 0 69 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.818 105.8 58.9 -60.4 -33.3 25.0 64.4 -23.1 39 36 A Y H X S+ 0 0 31 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.931 110.8 40.3 -61.8 -48.6 21.3 63.8 -22.4 40 37 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 3,-0.3 0.828 112.4 55.5 -73.6 -33.1 21.3 65.6 -19.1 41 38 A L H ><5S+ 0 0 81 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.862 102.3 57.7 -64.0 -33.4 23.6 68.4 -20.4 42 39 A Q H 3<5S+ 0 0 144 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 101.4 55.8 -68.3 -28.6 21.1 69.1 -23.2 43 40 A K T 3<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.489 127.7-100.6 -80.5 -5.5 18.4 69.8 -20.6 44 41 A G T < 5S+ 0 0 36 -3,-1.3 -31,-0.2 1,-0.3 -3,-0.2 0.531 79.1 131.6 97.1 6.9 20.7 72.4 -19.1 45 42 A F < - 0 0 2 -5,-2.0 2,-0.3 -33,-0.1 -1,-0.3 -0.493 50.9-129.7 -80.4 157.8 22.1 70.5 -16.1 46 43 A H E -a 15 0A 105 -32,-2.3 -30,-3.2 -2,-0.2 2,-0.5 -0.849 14.8-144.3-102.4 147.5 25.9 70.3 -15.3 47 44 A I E -a 16 0A 31 -2,-0.3 2,-0.6 -32,-0.2 -30,-0.2 -0.964 7.6-164.2-118.2 119.8 27.6 67.0 -14.6 48 45 A L E -a 17 0A 64 -32,-2.6 -30,-2.5 -2,-0.5 2,-0.4 -0.927 19.9-139.8-103.8 115.3 30.4 66.8 -12.0 49 46 A E E -a 18 0A 86 -2,-0.6 -30,-0.1 -32,-0.2 -32,-0.1 -0.613 16.1-124.9 -84.0 125.6 32.4 63.6 -12.5 50 47 A G > - 0 0 5 -32,-1.4 3,-2.0 -2,-0.4 -31,-0.1 -0.153 30.1-101.1 -65.1 161.9 33.4 61.7 -9.4 51 48 A S T 3 S+ 0 0 69 1,-0.3 -1,-0.1 19,-0.2 -32,-0.1 0.623 119.5 54.4 -63.6 -17.4 37.1 60.9 -8.8 52 49 A L T > S+ 0 0 14 15,-0.1 3,-2.2 14,-0.1 -1,-0.3 0.349 76.6 132.7 -95.7 4.5 36.7 57.2 -9.9 53 50 A T T < S+ 0 0 18 -3,-2.0 3,-0.1 1,-0.3 -4,-0.0 -0.374 78.8 9.0 -60.2 129.1 35.2 58.1 -13.3 54 51 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.419 103.1 127.0 82.8 -4.2 36.8 56.2 -16.1 55 52 A R < - 0 0 152 -3,-2.2 2,-0.4 2,-0.0 -28,-0.3 -0.482 43.8-153.3 -84.6 157.4 38.7 54.0 -13.6 56 53 A Y + 0 0 105 -2,-0.1 5,-0.2 -3,-0.1 3,-0.1 -0.971 29.2 160.0-138.2 125.4 38.8 50.2 -13.5 57 54 A D B > -F 60 0B 25 3,-2.2 3,-1.7 -2,-0.4 2,-0.7 -0.378 61.1-104.1-133.6 60.9 39.4 47.6 -10.8 58 55 A Y T 3 S+ 0 0 93 1,-0.3 -1,-0.2 3,-0.1 553,-0.1 -0.458 106.9 11.6 64.4-110.3 37.9 44.5 -12.4 59 56 A Y T 3 S+ 0 0 22 -2,-0.7 -1,-0.3 551,-0.2 2,-0.3 0.585 134.5 39.2 -73.3 -13.3 34.5 44.0 -10.7 60 57 A R B < S-F 57 0B 10 -3,-1.7 -3,-2.2 -37,-0.2 -37,-0.2 -0.846 79.4-117.6-135.8 167.0 34.6 47.4 -9.0 61 58 A S S S- 0 0 4 -39,-1.5 2,-0.3 -41,-0.3 -3,-0.1 0.720 87.1 -43.9 -75.4 -23.4 35.6 51.0 -9.7 62 59 A G S S- 0 0 0 -40,-0.2 -1,-0.2 -5,-0.2 -5,-0.1 -0.969 81.8 -41.5 172.7-179.3 38.2 51.0 -6.9 63 60 A S > - 0 0 28 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.051 59.9-102.1 -64.6 162.6 39.0 50.0 -3.3 64 61 A I H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 125.7 46.1 -50.2 -49.1 36.6 50.4 -0.5 65 62 A Q H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.9 50.8 -65.6 -39.7 38.4 53.5 0.6 66 63 A E H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 111.5 49.0 -62.0 -44.3 38.7 55.0 -2.9 67 64 A R H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.910 111.4 48.2 -63.7 -41.4 35.0 54.5 -3.4 68 65 A A H X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.925 110.9 51.8 -63.0 -42.4 34.1 56.1 -0.0 69 66 A K H X S+ 0 0 148 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.868 107.9 52.8 -59.5 -39.8 36.4 59.0 -0.8 70 67 A E H X S+ 0 0 1 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.942 114.0 40.5 -61.1 -51.1 34.7 59.5 -4.2 71 68 A L H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.9 0.939 112.6 54.5 -68.6 -45.1 31.2 59.7 -2.7 72 69 A N H 3X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.857 101.0 60.1 -57.3 -35.5 32.3 61.8 0.3 73 70 A A H 3< S+ 0 0 54 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.854 109.7 43.2 -62.6 -33.5 33.8 64.4 -2.0 74 71 A L H X< S+ 0 0 7 -4,-1.0 3,-1.1 -3,-0.9 6,-0.3 0.897 112.1 52.4 -73.9 -46.8 30.4 64.9 -3.6 75 72 A I H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.892 112.9 45.7 -52.9 -40.6 28.6 64.9 -0.2 76 73 A R T 3< S+ 0 0 143 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.487 90.0 99.6 -83.5 -6.0 31.0 67.6 1.0 77 74 A N X - 0 0 41 -3,-1.1 3,-1.7 -4,-0.2 -4,-0.0 -0.752 58.1-160.2 -91.2 112.9 30.7 69.8 -2.1 78 75 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.727 86.8 62.5 -65.1 -20.2 28.3 72.7 -1.5 79 76 A N T 3 S+ 0 0 124 -65,-0.0 2,-0.5 2,-0.0 -64,-0.5 0.487 82.0 91.7 -84.6 -5.2 27.8 73.2 -5.3 80 77 A V E < +b 15 0A 2 -3,-1.7 -64,-0.2 -6,-0.3 3,-0.1 -0.817 46.5 178.6 -95.4 122.6 26.3 69.8 -6.0 81 78 A S E S+ 0 0 36 -66,-2.2 29,-1.9 -2,-0.5 2,-0.3 0.620 70.3 27.3 -93.3 -18.2 22.5 69.6 -5.8 82 79 A C E -bc 16 110A 0 -67,-1.2 -65,-3.2 27,-0.2 2,-0.5 -0.993 62.0-155.0-149.7 138.0 22.0 66.0 -6.6 83 80 A I E -bc 17 111A 0 27,-3.1 29,-2.7 -2,-0.3 2,-0.4 -0.967 21.1-178.5-120.9 117.8 24.2 62.9 -6.2 84 81 A M E -bc 18 112A 0 -67,-3.0 -65,-1.3 -2,-0.5 29,-0.2 -0.967 24.5-127.0-127.4 129.3 23.4 60.1 -8.6 85 82 A S E -b 19 0A 0 27,-1.5 53,-2.4 -2,-0.4 -65,-0.2 -0.422 12.1-141.2 -70.7 151.7 25.0 56.6 -8.9 86 83 A T S S- 0 0 0 -67,-2.1 53,-1.8 1,-0.4 2,-0.3 0.830 75.0 -36.9 -79.8 -35.5 26.4 55.7 -12.4 87 84 A I - 0 0 32 -68,-0.3 -1,-0.4 52,-0.1 -65,-0.4 -0.921 62.2-110.7-172.0 172.3 25.2 52.1 -12.0 88 85 A G + 0 0 8 -2,-0.3 -65,-2.3 -3,-0.1 2,-0.4 0.501 34.3 153.9 -92.7-136.6 24.8 49.4 -9.4 89 86 A G - 0 0 27 -67,-0.2 27,-0.1 1,-0.1 -1,-0.1 -0.989 62.4 -68.5 139.0-139.9 26.7 46.2 -8.9 90 87 A M S S+ 0 0 39 -2,-0.4 3,-0.3 -31,-0.2 -1,-0.1 0.465 107.5 69.3-126.3 -14.2 27.2 44.4 -5.7 91 88 A N > + 0 0 0 1,-0.2 3,-1.1 -3,-0.1 4,-0.3 0.252 52.5 104.3-112.0 13.6 29.5 46.4 -3.6 92 89 A S G > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.823 75.3 68.6 -60.9 -36.3 27.9 49.6 -2.3 93 90 A N G > S+ 0 0 2 -3,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.753 86.2 70.9 -60.8 -20.3 27.4 48.2 1.3 94 91 A S G < S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.817 94.2 55.3 -60.9 -29.6 31.2 48.3 1.7 95 92 A L G X> S+ 0 0 0 -3,-1.8 3,-2.2 -4,-0.3 4,-0.6 0.672 80.2 93.1 -77.2 -21.0 31.1 52.1 1.8 96 93 A L G X4 S+ 0 0 0 -3,-0.9 3,-0.7 -4,-0.4 -1,-0.2 0.782 82.0 50.0 -56.9 -40.3 28.6 52.4 4.7 97 94 A P G 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.699 115.0 46.7 -67.1 -21.1 31.0 52.7 7.7 98 95 A Y G <4 S+ 0 0 59 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.415 80.5 113.4-102.2 -3.3 33.0 55.4 5.9 99 96 A I S << S- 0 0 9 -3,-0.7 2,-1.7 -4,-0.6 3,-0.2 -0.434 70.7-122.1 -75.6 144.3 30.4 57.8 4.6 100 97 A D > + 0 0 44 1,-0.2 4,-1.7 -32,-0.2 5,-0.1 -0.603 38.9 168.8 -91.0 96.3 30.3 61.3 6.1 101 98 A Y H > S+ 0 0 23 -2,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.815 74.8 59.9 -75.7 -29.2 26.8 61.3 7.3 102 99 A D H > S+ 0 0 133 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 104.8 47.4 -64.5 -43.6 27.5 64.4 9.3 103 100 A A H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.894 112.7 49.7 -66.3 -37.1 28.4 66.3 6.1 104 101 A F H < S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.934 111.9 48.2 -66.5 -43.4 25.2 65.0 4.4 105 102 A Q H < S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.5 52.8 -62.4 -35.8 23.2 66.1 7.3 106 103 A N H < S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 129.0 16.3 -68.3 -31.6 24.9 69.5 7.3 107 104 A N S < S- 0 0 56 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.1 -0.616 85.1-155.1-144.4 79.0 24.1 70.1 3.6 108 105 A P - 0 0 35 0, 0.0 -100,-0.5 0, 0.0 2,-0.3 -0.258 15.1-178.2 -63.5 141.6 21.3 67.7 2.3 109 106 A K - 0 0 6 -102,-0.2 2,-0.6 -26,-0.0 -27,-0.2 -0.865 40.0 -88.4-130.8 163.5 21.2 66.9 -1.3 110 107 A I E -c 82 0A 0 -29,-1.9 -27,-3.1 -2,-0.3 2,-0.6 -0.694 44.1-162.6 -71.6 121.9 18.9 64.8 -3.5 111 108 A M E +c 83 0A 0 -2,-0.6 22,-2.5 20,-0.3 2,-0.3 -0.954 19.4 169.2-112.1 118.6 20.5 61.3 -3.3 112 109 A I E +cd 84 133A 0 -29,-2.7 -27,-1.5 -2,-0.6 2,-0.3 -0.968 14.0 93.9-139.1 146.7 19.2 59.1 -6.2 113 110 A G E - d 0 134A 0 20,-1.6 22,-1.9 -2,-0.3 2,-0.2 -0.942 42.5-127.3 163.3-170.3 19.8 55.8 -7.9 114 111 A Y > + 0 0 15 -2,-0.3 3,-2.2 20,-0.2 4,-0.1 -0.787 59.5 31.0-148.6-169.5 18.7 52.2 -7.8 115 112 A S G > S+ 0 0 20 1,-0.3 3,-2.5 -2,-0.2 98,-0.5 -0.215 126.2 6.4 54.1-129.2 19.7 48.5 -7.5 116 113 A D G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.786 120.6 73.6 -57.0 -26.4 22.8 48.0 -5.4 117 114 A A G X> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.3 3,-1.0 0.688 72.5 87.8 -63.7 -11.7 22.8 51.8 -4.5 118 115 A T H <> S+ 0 0 1 -3,-2.5 4,-2.8 1,-0.3 5,-0.4 0.841 78.2 63.7 -51.2 -34.6 19.8 50.8 -2.3 119 116 A A H <> S+ 0 0 0 -3,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.909 110.4 36.8 -57.9 -41.6 22.5 50.2 0.4 120 117 A L H <> S+ 0 0 0 -3,-1.0 4,-2.7 -4,-0.4 5,-0.3 0.850 114.6 54.1 -80.1 -38.4 23.4 53.8 0.3 121 118 A L H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.930 117.9 37.0 -60.6 -48.4 19.9 55.2 -0.2 122 119 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.863 115.1 55.4 -73.3 -35.7 18.6 53.3 2.9 123 120 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 5,-0.2 0.932 110.4 44.9 -62.6 -42.9 21.9 53.9 4.8 124 121 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 6,-0.5 0.939 114.7 48.6 -68.0 -42.4 21.6 57.7 4.4 125 122 A Y H X S+ 0 0 28 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.920 112.3 49.5 -61.7 -43.5 17.9 57.6 5.3 126 123 A A H < S+ 0 0 35 -4,-2.9 -1,-0.2 99,-0.4 -2,-0.2 0.876 118.7 37.5 -63.1 -38.8 18.6 55.5 8.4 127 124 A K H < S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.826 132.1 22.8 -81.5 -41.7 21.4 57.7 9.6 128 125 A T H < S- 0 0 15 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.591 87.2-130.6-102.4 -13.7 20.1 61.1 8.8 129 126 A G < + 0 0 35 -4,-2.2 -4,-0.2 -5,-0.4 -3,-0.1 0.471 62.5 136.6 69.3 2.2 16.3 60.8 8.5 130 127 A I - 0 0 1 -6,-0.5 -1,-0.2 1,-0.1 -2,-0.2 -0.682 60.5-113.9 -81.7 127.3 16.5 62.6 5.1 131 128 A P - 0 0 0 0, 0.0 -20,-0.3 0, 0.0 2,-0.2 -0.303 34.1-163.8 -59.8 142.1 14.3 61.0 2.3 132 129 A T E - E 0 315A 0 183,-0.8 183,-2.9 -22,-0.1 2,-0.5 -0.711 14.8-113.2-119.6 176.1 16.2 59.5 -0.5 133 130 A F E -dE 112 314A 0 -22,-2.5 -20,-1.6 -2,-0.2 2,-0.9 -0.939 6.1-153.1-126.9 124.9 15.1 58.5 -4.0 134 131 A Y E +dE 113 313A 1 179,-2.8 179,-3.0 -2,-0.5 -20,-0.2 -0.813 62.8 95.2 -88.8 111.2 14.8 55.2 -5.8 135 132 A G + 0 0 0 -22,-1.9 177,-0.1 -2,-0.9 176,-0.1 -0.853 63.9 3.0-173.1-163.3 15.1 56.3 -9.4 136 133 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -51,-0.2 -0.041 41.8-158.2 -50.6 135.6 17.5 56.8 -12.3 137 134 A A >> - 0 0 1 -24,-0.2 4,-1.9 -53,-0.1 5,-0.8 -0.888 32.8-114.8-102.2 147.0 21.1 55.8 -12.3 138 135 A L H >>S+ 0 0 0 -53,-2.4 4,-1.6 -2,-0.4 5,-0.5 0.895 102.6 37.2 -54.6 -55.1 23.1 57.8 -14.9 139 136 A V H >5S+ 0 0 0 -53,-1.8 4,-1.2 3,-0.2 -1,-0.2 0.972 123.7 33.1 -71.8 -56.2 24.2 55.1 -17.3 140 137 A P H 45S+ 0 0 8 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.927 128.5 37.5 -61.8 -42.5 21.3 52.6 -17.5 141 138 A S H <5S+ 0 0 0 -4,-1.9 3,-0.2 1,-0.2 -3,-0.2 0.931 128.4 27.0 -81.5 -48.0 18.5 55.2 -17.1 142 139 A F H < - 0 0 45 37,-0.3 4,-1.0 1,-0.1 3,-0.5 -0.370 51.3 -53.5 -70.2 158.2 17.9 55.5 -26.4 146 143 A E T 4 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.317 110.4 36.5 -55.1 157.0 14.7 57.2 -27.2 147 144 A P T >> S+ 0 0 49 0, 0.0 3,-1.1 0, 0.0 4,-0.9 -0.992 119.8 42.8 -77.6 -21.7 11.7 56.8 -26.7 148 145 A F H >> S+ 0 0 1 -3,-0.5 4,-2.2 1,-0.3 3,-0.6 0.824 104.6 62.6 -65.8 -33.5 11.9 55.4 -23.2 149 146 A V H 3X S+ 0 0 2 -4,-1.0 4,-2.6 1,-0.2 -1,-0.3 0.857 99.1 58.1 -57.7 -32.9 14.6 57.8 -21.9 150 147 A D H <> S+ 0 0 53 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.859 106.7 47.1 -70.4 -32.3 12.1 60.7 -22.4 151 148 A D H S+ 0 0 14 -4,-2.9 5,-2.6 1,-0.2 4,-2.2 0.895 112.9 52.4 -66.3 -42.4 11.6 66.2 -13.5 158 155 A E H <5S+ 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.890 118.2 36.4 -64.7 -37.6 8.1 65.9 -12.2 159 156 A T H <5S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.855 129.3 28.0 -83.0 -41.2 9.2 64.4 -8.9 160 157 A L H <5S+ 0 0 0 -4,-2.6 -150,-2.4 -5,-0.2 -3,-0.2 0.720 131.4 21.8 -98.0 -17.4 12.5 66.3 -8.3 161 158 A L T <5S+ 0 0 26 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.794 100.4 76.6-117.8 -58.9 12.1 69.7 -10.0 162 159 A H S -m 238 0F 4 -98,-0.5 4,-1.8 -2,-0.3 26,-0.2 -0.630 62.8-153.8 -74.4 120.0 16.2 46.4 -4.3 214 211 A L H > S+ 0 0 0 24,-2.3 4,-1.3 -2,-0.6 -1,-0.2 0.907 90.4 54.5 -71.8 -39.8 15.4 43.3 -2.2 215 212 A N H 4 S+ 0 0 12 23,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.919 110.3 48.6 -55.9 -39.8 18.5 41.3 -3.0 216 213 A T H >4 S+ 0 0 5 1,-0.2 3,-1.8 2,-0.2 4,-0.5 0.853 100.6 64.9 -71.9 -31.9 20.6 44.3 -1.9 217 214 A I H >X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.3 3,-1.5 0.870 91.9 63.3 -59.5 -33.2 18.6 44.7 1.3 218 215 A Q T 3< S+ 0 0 5 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.591 98.0 58.2 -66.9 -10.3 19.9 41.2 2.4 219 216 A G T <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.537 117.0 30.2 -92.6 -18.2 23.4 42.8 2.4 220 217 A I T X4 S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.5 5,-0.3 0.493 85.9 129.9-110.9 -6.2 22.5 45.5 5.0 221 218 A W T 3< S+ 0 0 29 -4,-1.7 335,-0.1 1,-0.2 -3,-0.0 -0.156 74.5 15.9 -57.0 140.2 19.8 43.9 7.1 222 219 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 5,-0.1 334,-0.1 0.238 102.7 112.0 86.5 -15.4 20.2 44.1 10.8 223 220 A S S X S- 0 0 9 -3,-1.8 3,-1.5 1,-0.1 -1,-0.3 -0.355 85.7-104.1 -85.6 167.6 22.8 46.9 10.7 224 221 A P T 3 S+ 0 0 80 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.571 119.1 64.0 -60.1 -13.5 22.5 50.5 11.7 225 222 A Y T 3 S+ 0 0 25 -5,-0.3 -99,-0.4 365,-0.1 -98,-0.1 0.450 85.3 80.4 -93.5 -5.1 22.2 51.3 8.0 226 223 A M S < S- 0 0 16 -3,-1.5 -103,-0.1 -6,-0.3 -4,-0.1 -0.907 83.4-128.8-101.5 119.0 18.9 49.5 7.6 227 224 A P - 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