==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON BINDING PROTEIN 28-OCT-04 1XVX . COMPND 2 MOLECULE: YFUA; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR S.R.SHOULDICE,D.E.MCREE,D.R.DOUGAN,L.W.TARI,A.B.SCHRYVERS . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.3 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 . 1 0.3 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 1 1 2 1 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 0 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 0 PARALLEL BRIDGES PER LADDER . 3 0 1 1 1 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 0 0 1 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 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 0 171 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.0 -6.2 32.6 15.2 2 3 A N - 0 0 86 1,-0.1 28,-0.1 27,-0.0 27,-0.0 -0.875 360.0-147.7 -97.2 140.5 -2.6 32.6 13.9 3 4 A D - 0 0 69 -2,-0.4 28,-0.4 28,-0.1 3,-0.1 -0.007 46.9 -70.5 -86.4-160.5 -1.7 35.0 11.1 4 5 A S S S- 0 0 101 1,-0.2 2,-0.1 26,-0.1 -1,-0.0 0.573 76.3-141.9 -74.0 -7.1 0.9 34.3 8.4 5 6 A G - 0 0 7 27,-0.1 -1,-0.2 25,-0.0 2,-0.2 -0.376 29.6 -31.8 84.9-158.3 3.7 34.6 11.0 6 7 A I E -a 32 0A 1 25,-2.3 27,-2.7 -3,-0.1 2,-0.5 -0.605 36.6-135.5-108.3 159.5 7.1 36.1 10.9 7 8 A V E -a 33 0A 18 47,-0.3 49,-2.9 -2,-0.2 50,-1.5 -0.965 22.7-163.1-109.2 124.0 10.0 36.6 8.5 8 9 A V E -ab 34 57A 0 25,-3.1 27,-2.8 -2,-0.5 2,-0.9 -0.949 15.6-147.8-112.5 120.4 13.4 35.8 9.8 9 10 A Y E -ab 35 58A 4 48,-2.7 50,-2.5 -2,-0.5 2,-0.6 -0.811 31.8-162.9 -79.3 108.9 16.6 37.0 8.1 10 11 A N E +ab 36 59A 1 25,-2.3 27,-1.8 -2,-0.9 50,-0.2 -0.880 35.8 158.1-112.1 111.6 18.7 34.0 9.0 11 12 A A + 0 0 3 48,-2.9 50,-0.4 -2,-0.6 28,-0.3 0.389 53.2 98.3-105.1 -1.1 22.4 34.1 8.8 12 13 A Q S S- 0 0 6 47,-0.2 25,-0.2 48,-0.2 49,-0.1 -0.457 98.0 -70.4 -79.3 158.6 22.9 31.1 11.2 13 14 A H >> - 0 0 63 1,-0.1 4,-2.1 -2,-0.1 3,-0.7 -0.296 47.0-128.7 -54.8 130.1 23.5 27.6 9.7 14 15 A E H 3> S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.830 103.6 52.4 -55.0 -40.1 20.2 26.5 8.2 15 16 A N H 3> S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.830 107.8 50.7 -71.1 -31.8 20.1 23.1 9.9 16 17 A L H <> S+ 0 0 1 -3,-0.7 4,-1.4 2,-0.2 3,-0.3 0.958 114.5 45.3 -61.4 -50.3 20.5 24.6 13.4 17 18 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.868 107.1 58.1 -68.4 -33.3 17.7 27.0 12.6 18 19 A K H X S+ 0 0 63 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.894 103.5 53.3 -61.9 -37.3 15.5 24.3 11.1 19 20 A S H X S+ 0 0 30 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.879 112.9 44.9 -64.4 -37.5 15.7 22.4 14.4 20 21 A W H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.936 112.7 48.7 -67.8 -51.4 14.5 25.6 16.2 21 22 A V H X S+ 0 0 7 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.911 108.7 54.0 -59.0 -43.8 11.7 26.5 13.8 22 23 A D H X S+ 0 0 110 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.950 115.3 39.8 -54.7 -50.9 10.3 23.0 13.8 23 24 A G H X S+ 0 0 16 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.898 116.2 50.9 -64.7 -42.8 10.0 23.0 17.6 24 25 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 6,-0.4 0.909 111.6 44.9 -64.3 -46.4 8.9 26.7 17.8 25 26 A T H X S+ 0 0 45 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.898 113.2 52.1 -69.1 -38.4 6.0 26.3 15.2 26 27 A K H < S+ 0 0 183 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.934 116.7 40.2 -57.3 -47.5 4.9 23.1 16.9 27 28 A D H < S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.857 131.5 20.5 -70.0 -40.7 4.8 24.8 20.3 28 29 A T H < S- 0 0 44 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.613 87.5-127.2-111.9 -19.2 3.3 28.2 19.4 29 30 A G < + 0 0 25 -4,-2.2 2,-0.6 -5,-0.4 -4,-0.2 0.390 63.0 140.0 78.6 -2.1 1.5 27.8 16.1 30 31 A I - 0 0 17 -6,-0.4 -1,-0.3 213,-0.1 -2,-0.2 -0.649 48.4-137.7 -79.6 119.0 3.6 30.8 14.8 31 32 A K - 0 0 104 -2,-0.6 -25,-2.3 -28,-0.4 2,-0.4 -0.482 14.8-152.5 -75.0 144.3 4.7 30.2 11.2 32 33 A V E -a 6 0A 22 -27,-0.2 2,-0.6 -2,-0.2 -25,-0.2 -0.985 8.4-162.9-125.1 128.1 8.3 31.1 10.3 33 34 A T E -a 7 0A 65 -27,-2.7 -25,-3.1 -2,-0.4 2,-0.4 -0.956 17.1-150.6-107.5 118.3 9.5 32.2 6.9 34 35 A L E -a 8 0A 34 -2,-0.6 2,-0.5 -27,-0.2 -25,-0.2 -0.751 15.1-173.2 -92.3 131.6 13.3 31.9 6.5 35 36 A R E -a 9 0A 116 -27,-2.8 -25,-2.3 -2,-0.4 2,-0.2 -0.947 24.2-155.4-120.3 104.7 15.3 34.2 4.2 36 37 A N E +a 10 0A 73 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.503 30.9 122.4 -89.2 148.7 18.8 32.8 4.4 37 38 A G - 0 0 23 -27,-1.8 2,-0.2 -2,-0.2 -2,-0.0 -0.954 58.0 -64.5-174.6-172.9 22.1 34.6 3.7 38 39 A G > - 0 0 30 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.521 48.2-107.2 -88.1 161.0 25.5 35.4 5.3 39 40 A D H > S+ 0 0 3 -28,-0.3 4,-2.5 1,-0.2 5,-0.2 0.916 115.5 44.4 -48.7 -53.0 25.9 37.7 8.3 40 41 A S H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 114.3 45.3 -67.5 -48.6 27.4 40.6 6.4 41 42 A E H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 116.3 46.5 -66.2 -36.5 25.0 40.7 3.4 42 43 A L H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.896 112.1 51.1 -70.6 -40.7 21.9 40.3 5.6 43 44 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.938 113.2 45.0 -58.9 -47.5 23.1 43.0 8.0 44 45 A N H X S+ 0 0 83 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.900 109.7 56.2 -64.7 -38.6 23.7 45.4 5.1 45 46 A Q H X S+ 0 0 75 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.915 107.7 48.5 -58.1 -45.1 20.3 44.5 3.6 46 47 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.920 111.3 49.8 -62.4 -42.9 18.6 45.5 6.9 47 48 A V H < S+ 0 0 50 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 115.2 43.5 -60.4 -42.4 20.5 48.8 7.0 48 49 A Q H < S+ 0 0 164 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.804 116.4 45.8 -76.5 -31.6 19.6 49.6 3.3 49 50 A E H >< S+ 0 0 57 -4,-2.5 3,-2.2 -5,-0.2 -1,-0.2 0.834 83.4 162.3 -76.7 -35.6 15.9 48.5 3.7 50 51 A G G >< S- 0 0 17 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 -0.225 70.9 -3.0 52.0-128.3 15.5 50.4 7.0 51 52 A S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.584 131.1 64.8 -73.2 -8.9 11.9 50.9 7.9 52 53 A A G < S+ 0 0 86 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.500 76.7 118.3 -89.1 -4.5 10.7 49.3 4.6 53 54 A S < - 0 0 4 -3,-1.6 -7,-0.0 -7,-0.2 -8,-0.0 -0.324 56.5-153.2 -64.0 139.9 12.2 45.9 5.6 54 55 A P + 0 0 61 0, 0.0 -47,-0.3 0, 0.0 185,-0.2 0.428 59.3 121.3 -84.7 -1.8 9.8 42.9 6.0 55 56 A A + 0 0 0 1,-0.1 -47,-0.2 -49,-0.1 3,-0.1 -0.411 35.7 176.3 -71.1 134.4 12.2 41.3 8.5 56 57 A D S S+ 0 0 5 -49,-2.9 179,-2.2 1,-0.3 2,-0.3 0.743 71.7 19.3 -99.9 -35.6 10.9 40.6 12.0 57 58 A V E -bC 8 234A 0 -50,-1.5 -48,-2.7 177,-0.2 2,-0.4 -0.977 61.6-153.6-136.7 146.5 14.0 38.9 13.4 58 59 A F E -bC 9 233A 0 175,-2.4 175,-1.9 -2,-0.3 2,-0.4 -0.994 13.0-173.2-118.0 126.6 17.7 38.8 12.5 59 60 A L E -bC 10 232A 0 -50,-2.5 -48,-2.9 -2,-0.4 2,-0.3 -0.977 7.1-174.3-117.7 138.1 19.8 35.8 13.4 60 61 A T E - C 0 231A 0 171,-2.5 171,-0.6 -2,-0.4 -48,-0.2 -0.911 34.1-137.6-129.1 155.3 23.6 35.7 12.9 61 62 A E S S+ 0 0 24 -50,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.811 92.5 23.3 -69.8 -34.6 26.4 33.2 13.3 62 63 A N S S- 0 0 0 168,-0.1 169,-0.4 169,-0.1 4,-0.4 -0.791 78.3-111.9-132.9 172.2 28.6 35.9 14.8 63 64 A S S >> S+ 0 0 1 -2,-0.2 4,-1.9 1,-0.2 3,-0.8 0.807 94.1 74.1 -77.7 -36.9 28.5 39.3 16.7 64 65 A P H 3> S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 234,-0.3 0.861 96.0 51.2 -53.7 -39.6 29.9 41.9 14.3 65 66 A A H 3> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.840 107.7 54.5 -65.8 -32.1 26.7 42.0 12.1 66 67 A M H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.4 -1,-0.2 0.911 107.2 50.3 -62.8 -44.4 24.6 42.5 15.2 67 68 A V H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.917 109.3 52.2 -59.2 -43.9 26.7 45.5 16.1 68 69 A L H X S+ 0 0 46 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.925 112.9 42.9 -57.8 -48.9 26.3 46.9 12.6 69 70 A V H <>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 6,-0.2 0.897 114.5 50.3 -69.4 -38.2 22.5 46.7 12.7 70 71 A D H ><5S+ 0 0 20 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.882 105.7 56.8 -65.3 -38.6 22.3 48.0 16.3 71 72 A N H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 102.8 55.5 -60.3 -31.4 24.5 51.0 15.3 72 73 A A T 3<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.407 114.6-122.3 -81.0 1.7 21.9 51.8 12.6 73 74 A K T < 5S+ 0 0 180 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.841 70.8 132.4 59.8 41.5 19.2 51.9 15.5 74 75 A L < + 0 0 29 -5,-1.6 162,-3.0 162,-0.1 163,-0.5 0.531 40.9 88.8-100.4 -9.7 17.1 49.1 13.8 75 76 A F B -F 235 0B 1 160,-0.3 160,-0.2 -6,-0.2 22,-0.1 -0.623 64.8-137.4 -92.2 151.1 16.4 46.8 16.8 76 77 A A - 0 0 19 158,-2.8 158,-0.5 -2,-0.2 2,-0.1 -0.724 40.4 -92.3 -90.6 152.3 13.6 46.9 19.3 77 78 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 19,-0.1 -0.409 45.5-114.3 -64.7 143.3 14.5 46.3 23.0 78 79 A L - 0 0 10 1,-0.1 5,-0.1 19,-0.1 19,-0.1 -0.551 35.5 -97.1 -78.6 143.9 14.2 42.6 24.0 79 80 A D > - 0 0 77 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.176 35.6-109.5 -56.7 150.7 11.5 41.6 26.5 80 81 A A H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.828 116.1 54.0 -55.1 -41.2 12.6 41.3 30.1 81 82 A V H > S+ 0 0 54 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.929 107.1 52.3 -62.6 -43.5 12.2 37.5 30.2 82 83 A T H >> S+ 0 0 0 -3,-0.3 3,-0.8 1,-0.2 4,-0.6 0.920 108.6 50.4 -56.5 -45.6 14.5 37.1 27.1 83 84 A Q H 3< S+ 0 0 73 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.840 110.6 49.4 -64.5 -32.3 17.2 39.3 28.8 84 85 A A H 3< S+ 0 0 75 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.635 101.4 66.2 -78.1 -16.2 17.1 37.2 32.0 85 86 A Q H << S+ 0 0 45 -4,-1.0 187,-2.5 -3,-0.8 2,-0.4 0.674 89.7 71.0 -81.5 -20.8 17.3 33.9 30.0 86 87 A V B < S-G 271 0C 5 -4,-0.6 185,-0.2 -3,-0.5 5,-0.1 -0.842 89.4-106.1-108.4 135.0 20.9 34.4 28.7 87 88 A A > - 0 0 15 183,-2.4 3,-2.4 -2,-0.4 12,-0.2 -0.244 32.0-117.9 -55.3 140.9 24.1 34.2 30.7 88 89 A Q G > S+ 0 0 166 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.819 112.2 60.6 -52.5 -38.6 25.7 37.7 31.3 89 90 A E G 3 S+ 0 0 113 1,-0.3 -1,-0.3 181,-0.1 -2,-0.1 0.656 104.6 51.4 -65.4 -13.9 28.8 36.8 29.4 90 91 A Y G < S+ 0 0 30 -3,-2.4 9,-1.5 180,-0.2 -1,-0.3 0.109 94.4 83.5-112.4 20.2 26.7 36.2 26.2 91 92 A R S < S- 0 0 61 -3,-1.6 7,-0.1 7,-0.2 203,-0.1 -0.973 85.2-111.1-120.5 138.0 24.8 39.5 26.3 92 93 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.388 13.2-135.4 -69.5 145.5 26.3 42.6 24.8 93 94 A E S S+ 0 0 163 1,-0.2 2,-0.4 -2,-0.1 199,-0.0 0.848 97.8 22.4 -64.4 -34.6 27.3 45.4 27.2 94 95 A H S S+ 0 0 136 2,-0.0 -1,-0.2 -3,-0.0 2,-0.1 -1.000 100.1 64.2-133.4 132.6 25.7 47.8 24.8 95 96 A G S S- 0 0 27 -2,-0.4 2,-1.0 -3,-0.1 -28,-0.1 -0.327 74.0-100.0 131.4 149.8 23.0 47.0 22.2 96 97 A R S S+ 0 0 126 -30,-0.1 138,-0.3 -2,-0.1 2,-0.3 -0.515 89.6 79.7 -97.3 58.3 19.5 45.8 21.7 97 98 A W - 0 0 4 -2,-1.0 2,-0.3 136,-0.1 136,-0.2 -0.932 62.0-138.8-150.7 174.7 20.3 42.2 20.9 98 99 A T E -D 232 0A 0 134,-2.3 134,-2.3 -2,-0.3 -7,-0.2 -0.983 24.0-104.5-138.3 151.5 21.2 38.9 22.6 99 100 A G E +D 231 0A 0 -9,-1.5 132,-0.3 -2,-0.3 3,-0.1 -0.470 32.6 176.2 -62.6 146.8 23.5 36.0 22.3 100 101 A I E - 0 0 0 130,-2.4 170,-0.4 1,-0.6 2,-0.3 0.494 64.3 -9.2-128.0 -18.8 21.7 32.9 21.1 101 102 A A E -D 230 0A 0 129,-0.8 129,-2.3 168,-0.2 -1,-0.6 -0.943 63.8-140.3-168.4 168.4 24.5 30.3 20.7 102 103 A A E -DE 229 268A 0 166,-1.6 166,-2.6 -2,-0.3 2,-0.3 -0.968 7.0-163.1-142.7 162.2 28.3 30.2 20.7 103 104 A R E -D 228 0A 0 125,-2.1 125,-2.0 -2,-0.3 2,-0.5 -0.991 17.7-127.8-145.2 146.6 31.1 28.6 18.9 104 105 A S E -D 227 0A 3 -2,-0.3 92,-2.3 123,-0.2 123,-0.2 -0.835 20.4-123.7 -99.4 133.0 34.8 28.1 19.7 105 106 A T E +H 195 0D 0 121,-2.5 2,-0.3 -2,-0.5 90,-0.2 -0.421 41.4 177.6 -58.3 143.0 37.7 29.0 17.3 106 107 A V E -H 194 0D 0 88,-2.4 88,-1.9 111,-0.1 2,-0.7 -0.967 36.5-125.7-141.9 161.1 39.9 25.9 16.7 107 108 A F E -HI 193 216D 0 109,-2.5 109,-2.3 -2,-0.3 2,-0.3 -0.960 30.2-155.7-102.6 108.1 42.9 24.8 14.7 108 109 A V E +HI 192 215D 0 84,-2.3 84,-2.3 -2,-0.7 2,-0.3 -0.691 22.3 173.2 -79.9 137.4 41.7 21.8 12.7 109 110 A Y E -HI 191 214D 19 105,-2.5 105,-2.4 -2,-0.3 82,-0.2 -0.965 37.2-120.5-145.5 161.9 44.6 19.6 11.7 110 111 A N >> - 0 0 6 80,-1.9 4,-2.4 -2,-0.3 3,-2.0 -0.912 17.7-158.7-105.4 107.6 45.4 16.2 10.1 111 112 A P T 34 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 102,-0.1 0.696 91.9 61.9 -63.5 -19.0 47.3 14.0 12.7 112 113 A E T 34 S+ 0 0 146 100,-0.4 3,-0.1 1,-0.1 101,-0.1 0.610 116.8 31.5 -76.9 -12.2 48.7 11.9 9.8 113 114 A K T <4 S+ 0 0 85 -3,-2.0 2,-0.3 1,-0.4 -1,-0.1 0.674 132.2 18.5-109.4 -32.2 50.5 15.0 8.5 114 115 A I S < S- 0 0 2 -4,-2.4 -1,-0.4 76,-0.2 2,-0.2 -0.993 71.3-133.6-162.9 147.0 51.2 16.9 11.8 115 116 A S > - 0 0 42 -2,-0.3 3,-1.7 -3,-0.1 4,-0.5 -0.528 28.2-108.3-124.2 148.7 51.3 15.9 15.3 116 117 A E G > S+ 0 0 107 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.900 118.4 54.4 -44.5 -48.8 49.7 17.7 18.4 117 118 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.625 103.9 57.0 -66.6 -14.4 53.1 18.8 19.7 118 119 A E G < S+ 0 0 102 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.505 82.2 109.7 -94.8 -8.1 53.8 20.5 16.3 119 120 A L S < S- 0 0 6 -3,-1.6 -10,-0.0 -4,-0.5 -3,-0.0 -0.282 83.4 -86.9 -70.3 154.7 50.8 22.8 16.3 120 121 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.361 27.7-146.2 -62.8 138.4 51.1 26.5 16.8 121 122 A K S S+ 0 0 153 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.859 85.6 18.3 -69.0 -36.2 51.1 27.6 20.5 122 123 A S S > S- 0 0 20 1,-0.1 3,-1.4 101,-0.0 4,-0.4 -0.946 77.1-121.3-131.9 150.5 49.2 30.8 19.7 123 124 A I G > S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.3 4,-0.1 0.812 114.7 65.9 -59.2 -26.7 47.2 31.9 16.6 124 125 A M G > S+ 0 0 42 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.769 86.8 68.8 -67.2 -23.1 49.7 34.7 16.4 125 126 A D G X S+ 0 0 37 -3,-1.4 3,-2.1 1,-0.3 -1,-0.3 0.736 78.9 77.9 -68.0 -21.9 52.4 32.1 15.6 126 127 A L G < S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.627 85.0 64.8 -63.7 -12.1 50.8 31.4 12.2 127 128 A A G < S+ 0 0 30 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.619 80.2 103.6 -81.2 -18.0 52.4 34.7 11.0 128 129 A K S X S- 0 0 84 -3,-2.1 3,-2.2 -4,-0.2 4,-0.2 -0.360 84.2-116.4 -70.0 148.3 55.9 33.2 11.5 129 130 A P G > S+ 0 0 105 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.795 111.5 67.8 -56.4 -31.4 57.9 32.1 8.3 130 131 A E G 3 S+ 0 0 103 1,-0.3 -4,-0.1 -5,-0.1 -3,-0.0 0.679 95.3 58.6 -62.7 -15.1 57.9 28.4 9.4 131 132 A W G X S+ 0 0 12 -3,-2.2 3,-2.1 -6,-0.2 4,-0.3 0.429 74.2 129.7 -94.3 1.2 54.1 28.4 8.9 132 133 A K T < S+ 0 0 138 -3,-1.9 38,-0.2 1,-0.3 39,-0.1 -0.360 82.9 2.1 -60.0 125.2 54.3 29.4 5.2 133 134 A G T 3 S+ 0 0 48 37,-2.5 -1,-0.3 2,-0.2 57,-0.3 0.537 109.7 98.0 76.3 11.6 52.1 27.0 3.1 134 135 A R S < S+ 0 0 71 -3,-2.1 57,-1.2 36,-0.3 2,-0.3 0.403 72.2 50.5-116.0 2.0 50.9 25.1 6.2 135 136 A W E -jk 171 191D 0 35,-0.6 37,-1.8 -4,-0.3 57,-0.3 -0.996 54.7-158.9-148.2 152.4 47.5 26.5 7.0 136 137 A A E +jk 172 192D 0 55,-1.7 57,-2.2 -2,-0.3 2,-0.3 -0.798 12.5 166.0-122.5 160.3 44.1 27.4 5.4 137 138 A A E -j 173 0D 0 35,-1.4 37,-1.8 -2,-0.3 57,-0.1 -0.957 38.5-118.2-161.0 170.7 41.2 29.6 6.2 138 139 A S > + 0 0 5 55,-0.4 3,-1.4 -2,-0.3 6,-0.5 -0.804 31.7 177.3-116.0 84.7 38.0 31.1 4.5 139 140 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 0.709 71.8 63.1 -66.6 -22.4 38.7 34.8 4.7 140 141 A S T 3 S+ 0 0 54 34,-0.2 2,-0.2 4,-0.1 35,-0.1 0.620 87.5 92.6 -78.3 -11.6 35.5 35.9 2.8 141 142 A G S <> S- 0 0 22 -3,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.496 79.3-128.8 -87.4 151.2 33.2 34.4 5.5 142 143 A A H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.814 106.8 64.5 -62.7 -28.9 31.7 36.2 8.5 143 144 A D H > S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.977 108.5 35.4 -58.8 -59.7 33.1 33.4 10.7 144 145 A F H > S+ 0 0 2 -6,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.890 114.6 57.7 -63.2 -39.3 36.7 34.1 10.0 145 146 A Q H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.848 103.8 53.9 -62.0 -30.5 36.1 37.8 9.9 146 147 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.3 -1,-0.2 0.893 105.4 52.6 -68.9 -39.2 34.7 37.6 13.4 147 148 A I H X S+ 0 0 4 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.931 110.2 48.9 -59.9 -44.4 38.0 35.9 14.6 148 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.899 106.7 56.0 -60.2 -40.1 39.9 38.8 13.1 149 150 A S H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.873 106.9 49.9 -62.1 -36.9 37.6 41.3 14.9 150 151 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.897 110.2 50.1 -64.0 -43.7 38.5 39.6 18.2 151 152 A M H X>S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 5,-0.6 0.905 109.3 51.8 -59.0 -44.3 42.2 39.9 17.3 152 153 A L H X5S+ 0 0 27 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.923 112.9 45.6 -56.9 -46.8 41.6 43.6 16.5 153 154 A E H <5S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.881 121.5 36.4 -64.5 -40.4 40.0 44.1 19.9 154 155 A L H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.852 132.0 23.0 -84.4 -38.3 42.6 42.1 21.9 155 156 A K H <5S- 0 0 108 -4,-3.2 4,-0.5 -5,-0.2 -3,-0.2 0.549 103.5-125.3-111.3 -15.1 45.9 43.0 20.1 156 157 A G X< - 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