==== 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 ISOMERASE 18-FEB-10 3LUY . COMPND 2 MOLECULE: PROBABLE CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM ADOLESCENTIS; . AUTHOR J.OSIPIUK,L.BIGELOW,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FO . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 3 2 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 1 1 1 2 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 0 0 0 0 1 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 X 0 0 237 0, 0.0 3,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 -9.3 66.7 20.8 -3.8 2 2 A S - 0 0 107 1,-0.1 31,-0.2 34,-0.0 32,-0.1 -0.001 360.0 -85.5 -65.4 164.6 69.5 19.1 -5.8 3 3 A A - 0 0 40 1,-0.1 2,-0.4 30,-0.1 32,-0.2 -0.383 51.7-105.2 -56.8 143.2 70.9 15.6 -5.5 4 4 A R E -a 35 0A 60 30,-2.2 32,-2.7 27,-0.1 2,-0.2 -0.650 37.9-125.8 -72.8 127.7 73.6 15.4 -2.9 5 5 A K E -a 36 0A 74 49,-0.4 51,-2.4 -2,-0.4 2,-0.4 -0.524 21.0-163.9 -76.7 141.3 76.9 15.1 -4.7 6 6 A L E -ab 37 56A 0 30,-2.2 32,-2.3 49,-0.2 2,-0.4 -0.922 9.3-154.0-128.7 106.6 79.2 12.2 -3.8 7 7 A F E +ab 38 57A 5 49,-3.1 51,-2.6 -2,-0.4 2,-0.3 -0.679 21.6 167.4 -82.7 126.3 82.8 12.7 -5.0 8 8 A Y E -a 39 0A 0 30,-2.0 32,-1.9 -2,-0.4 2,-0.6 -0.891 46.0 -82.0-136.4 162.2 84.8 9.5 -5.6 9 9 A L E S-a 40 0A 62 49,-0.4 8,-0.3 -2,-0.3 7,-0.2 -0.567 72.0-115.2 -70.6 112.4 88.1 8.6 -7.3 10 10 A G S S+ 0 0 16 30,-3.2 2,-0.2 -2,-0.6 6,-0.1 -0.093 74.8 81.1 -70.3 178.9 87.4 8.3 -11.0 11 11 A P S > S- 0 0 42 0, 0.0 3,-1.2 0, 0.0 6,-0.3 0.583 80.3 -94.7 -86.8-172.6 87.0 7.2 -13.6 12 12 A Q T 3 S+ 0 0 92 1,-0.2 130,-0.1 -2,-0.2 -2,-0.0 -0.323 107.8 37.8 -57.2 136.9 83.7 5.5 -13.7 13 13 A G T 3 S+ 0 0 0 1,-0.3 143,-0.4 128,-0.1 -1,-0.2 0.307 81.7 129.6 104.8 -8.6 83.8 1.7 -13.0 14 14 A T S <> S- 0 0 18 -3,-1.2 4,-2.4 -5,-0.2 -1,-0.3 -0.239 74.1-108.2 -73.4 168.9 86.5 1.7 -10.3 15 15 A F H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.816 124.0 57.2 -64.0 -31.7 86.1 -0.0 -6.9 16 16 A T H > S+ 0 0 15 2,-0.2 4,-2.1 -7,-0.2 -1,-0.2 0.868 103.2 53.0 -67.9 -34.3 85.8 3.4 -5.4 17 17 A H H > S+ 0 0 11 -8,-0.3 4,-2.4 -6,-0.3 3,-0.3 0.961 108.2 50.3 -61.4 -48.1 82.8 4.0 -7.8 18 18 A Q H X S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.876 107.3 54.7 -54.6 -38.5 81.3 0.8 -6.5 19 19 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.877 106.0 51.7 -61.5 -41.4 81.9 2.2 -3.0 20 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -3,-0.3 -2,-0.2 0.912 108.9 50.4 -60.4 -44.7 80.0 5.4 -3.9 21 21 A V H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.955 112.7 46.4 -59.1 -48.4 77.1 3.3 -5.1 22 22 A N H X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.894 112.0 51.2 -58.9 -41.1 77.1 1.3 -1.9 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.935 106.0 54.6 -64.1 -45.6 77.3 4.5 0.2 24 24 A A H < S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.1 47.7 -55.1 -41.7 74.3 6.1 -1.7 25 25 A Q H >< S+ 0 0 136 -4,-2.0 3,-1.4 2,-0.2 4,-0.2 0.969 114.4 42.3 -64.1 -53.1 72.3 3.0 -0.7 26 26 A E H 3< S+ 0 0 120 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.793 121.2 43.3 -67.7 -27.0 73.2 2.9 3.0 27 27 A L T >X S+ 0 0 12 -4,-2.6 3,-1.9 -5,-0.2 4,-0.9 0.249 77.4 115.6-102.2 11.9 72.9 6.7 3.3 28 28 A A G X4 S+ 0 0 52 -3,-1.4 3,-0.5 1,-0.3 6,-0.3 0.806 71.2 58.5 -54.7 -36.7 69.6 7.0 1.3 29 29 A R G 34 S+ 0 0 178 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.752 99.8 56.6 -70.8 -21.4 67.7 8.2 4.3 30 30 A F G <4 S+ 0 0 53 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.796 119.3 31.3 -78.1 -26.2 70.0 11.3 4.8 31 31 A E X< + 0 0 24 -4,-0.9 3,-2.4 -3,-0.5 -1,-0.3 -0.728 66.9 178.6-136.5 81.7 69.3 12.5 1.3 32 32 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.770 82.5 60.3 -53.8 -34.9 65.8 11.5 0.1 33 33 A Q T 3 S- 0 0 84 1,-0.2 -30,-0.1 -31,-0.2 2,-0.1 0.482 111.4-126.8 -77.2 -2.7 66.3 13.2 -3.2 34 34 A G < - 0 0 24 -3,-2.4 -30,-2.2 -6,-0.3 2,-0.3 -0.266 26.2 -63.2 92.0-173.5 69.3 10.8 -3.9 35 35 A F E -a 4 0A 37 -32,-0.2 2,-0.6 -3,-0.1 -30,-0.2 -0.865 19.8-146.6-119.8 150.7 72.9 11.2 -4.9 36 36 A D E -a 5 0A 71 -32,-2.7 -30,-2.2 -2,-0.3 2,-0.6 -0.912 24.6-148.1-108.8 100.1 74.8 12.5 -7.8 37 37 A L E -a 6 0A 43 -2,-0.6 -30,-0.2 -32,-0.2 -32,-0.1 -0.571 17.4-170.8 -75.6 115.3 78.0 10.4 -8.0 38 38 A X E -a 7 0A 56 -32,-2.3 -30,-2.0 -2,-0.6 2,-0.1 -0.925 14.4-142.2-112.9 116.2 80.9 12.5 -9.4 39 39 A P E -a 8 0A 54 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.476 20.0-168.8 -72.0 145.4 84.2 11.0 -10.4 40 40 A X E -a 9 0A 42 -32,-1.9 -30,-3.2 -2,-0.1 3,-0.1 -0.917 29.3-120.3-129.8 161.7 87.3 13.2 -9.6 41 41 A D S S- 0 0 137 -2,-0.3 2,-0.3 -32,-0.2 -1,-0.1 0.863 86.1 -1.9 -75.9 -36.1 90.9 12.8 -10.7 42 42 A D S > S- 0 0 57 1,-0.1 4,-1.5 -34,-0.1 3,-0.5 -0.956 70.4-101.4-150.5 171.4 92.5 12.3 -7.3 43 43 A V H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.847 112.7 59.2 -66.0 -39.0 91.9 12.3 -3.5 44 44 A P H > S+ 0 0 85 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.871 106.4 49.8 -62.1 -29.4 93.1 15.7 -2.7 45 45 A Q H > S+ 0 0 78 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.884 109.0 52.8 -72.6 -39.0 90.5 17.1 -5.1 46 46 A I H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.951 111.0 45.6 -57.0 -52.9 87.8 15.0 -3.4 47 47 A L H X S+ 0 0 20 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.877 112.3 52.9 -58.3 -40.3 88.8 16.3 0.1 48 48 A D H X S+ 0 0 110 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.964 110.7 44.3 -64.9 -46.5 88.9 19.9 -1.3 49 49 A A H X>S+ 0 0 10 -4,-2.5 5,-2.0 1,-0.2 4,-0.5 0.841 115.7 49.1 -65.7 -35.8 85.4 19.7 -2.8 50 50 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.2 5,-0.3 0.949 112.5 47.6 -63.5 -46.9 84.0 18.1 0.4 51 51 A Q H 3<5S+ 0 0 53 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.745 106.2 57.1 -71.8 -25.8 85.7 20.6 2.6 52 52 A H H 3<5S- 0 0 153 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.677 119.0-113.3 -73.4 -18.4 84.4 23.5 0.5 53 53 A G T <<5S+ 0 0 42 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.585 79.1 127.7 94.6 15.2 80.9 22.2 1.2 54 54 A D S -DC 67 177A 10 4,-2.7 4,-1.8 -2,-0.3 114,-0.2 -0.919 23.5-135.3-114.9 142.3 92.1 -3.1 2.8 64 64 A N T 4 S+ 0 0 99 112,-2.2 113,-0.1 -2,-0.4 -1,-0.1 0.756 104.0 35.4 -70.7 -24.6 92.5 -6.3 4.7 65 65 A V T 4 S+ 0 0 80 111,-0.2 -1,-0.2 2,-0.1 112,-0.1 0.779 129.5 32.1 -92.0 -35.8 95.4 -7.6 2.5 66 66 A E T 4 S- 0 0 110 1,-0.3 -2,-0.2 3,-0.0 2,-0.1 0.471 99.2-139.8-105.8 -5.9 97.1 -4.4 1.7 67 67 A G E < -D 63 0A 28 -4,-1.8 -4,-2.7 2,-0.1 -1,-0.3 -0.374 50.5 -8.0 79.3-163.7 96.5 -2.3 4.9 68 68 A Y E -D 62 0A 28 -6,-0.3 2,-1.6 1,-0.1 -6,-0.3 -0.374 61.5-120.8 -65.5 147.4 95.7 1.3 5.2 69 69 A V >> - 0 0 46 -8,-2.5 4,-2.3 1,-0.2 3,-1.4 -0.687 36.6-166.1 -83.8 90.2 95.7 3.7 2.3 70 70 A V H 3> S+ 0 0 45 -2,-1.6 4,-3.2 1,-0.3 5,-0.3 0.820 78.2 54.5 -58.1 -40.9 98.3 5.8 4.0 71 71 A P H 3> S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.841 111.9 47.5 -59.9 -32.1 98.1 8.9 1.9 72 72 A N H <> S+ 0 0 19 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.919 112.0 49.2 -72.3 -47.1 94.4 9.0 2.6 73 73 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 3,-0.3 0.952 114.0 46.0 -49.7 -55.3 94.9 8.5 6.3 74 74 A D H X S+ 0 0 44 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.907 110.7 52.8 -60.9 -38.9 97.5 11.2 6.3 75 75 A A H < S+ 0 0 32 -4,-1.8 -1,-0.2 -5,-0.3 4,-0.2 0.878 110.6 47.1 -65.1 -36.2 95.4 13.6 4.3 76 76 A L H >< S+ 0 0 3 -4,-2.0 3,-1.3 -3,-0.3 -2,-0.2 0.905 107.4 57.6 -74.5 -39.9 92.4 13.1 6.7 77 77 A I H 3< S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 113.8 38.7 -50.7 -40.9 94.6 13.7 9.7 78 78 A D T 3< S+ 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.304 86.4 122.7 -97.8 5.2 95.6 17.0 8.3 79 79 A A < - 0 0 12 -3,-1.3 3,-0.2 -4,-0.2 -3,-0.1 -0.388 56.6-143.6 -66.5 150.2 92.3 18.2 6.9 80 80 A K S S+ 0 0 198 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.0 0.816 88.3 5.7 -81.1 -32.6 91.0 21.5 8.3 81 81 A D S S+ 0 0 63 103,-0.1 2,-0.3 104,-0.0 -1,-0.2 -0.359 95.1 106.4-156.4 66.7 87.3 20.5 8.4 82 82 A L + 0 0 2 -6,-0.2 2,-0.3 -3,-0.2 -3,-0.1 -0.995 30.3 174.7-141.8 147.8 86.4 16.9 7.5 83 83 A V E -E 183 0A 8 100,-2.1 100,-2.0 -2,-0.3 2,-0.3 -0.989 30.1-116.8-147.3 145.7 85.2 13.9 9.5 84 84 A G E +Ef 182 281A 0 196,-2.3 198,-2.5 -2,-0.3 98,-0.2 -0.643 30.7 168.1 -80.2 141.7 84.1 10.5 8.5 85 85 A F E + 0 0 10 96,-2.7 2,-0.3 -2,-0.3 97,-0.1 0.395 62.1 38.1-136.2 2.4 80.6 9.4 9.2 86 86 A A E -E 181 0A 8 95,-0.7 95,-2.3 197,-0.2 2,-0.4 -0.976 57.5-157.7-149.3 146.6 80.0 6.2 7.3 87 87 A R E -E 180 0A 27 -2,-0.3 2,-0.4 93,-0.2 93,-0.2 -0.987 17.7-176.6-129.2 117.1 82.3 3.2 6.6 88 88 A V E -E 179 0A 1 91,-2.4 91,-2.5 -2,-0.4 2,-0.3 -0.940 12.9-140.5-122.0 142.2 81.4 1.1 3.6 89 89 A G E -E 178 0A 34 -2,-0.4 2,-0.4 89,-0.2 89,-0.2 -0.713 10.5-169.5-103.0 147.9 82.9 -2.0 2.2 90 90 A V E -E 177 0A 9 87,-2.6 87,-2.2 -2,-0.3 2,-0.1 -0.957 23.0-132.8-132.1 117.8 83.6 -3.3 -1.2 91 91 A N E -E 176 0A 109 -2,-0.4 2,-1.2 85,-0.2 85,-0.3 -0.402 24.3-124.4 -58.8 132.9 84.7 -6.9 -1.9 92 92 A V + 0 0 11 83,-3.1 83,-0.5 -2,-0.1 2,-0.4 -0.806 53.2 150.1 -84.3 97.4 87.7 -6.9 -4.2 93 93 A E - 0 0 84 -2,-1.2 2,-0.4 81,-0.1 61,-0.3 -0.997 32.0-151.7-127.2 133.4 86.3 -9.2 -7.0 94 94 A F - 0 0 1 -2,-0.4 75,-3.1 59,-0.1 76,-0.4 -0.923 6.1-160.1-105.6 134.4 87.4 -9.0 -10.6 95 95 A D E -J 152 0B 4 57,-3.5 57,-2.4 -2,-0.4 2,-0.5 -0.674 17.9-126.0 -99.6 156.3 85.1 -10.0 -13.5 96 96 A A E -JK 151 166B 0 70,-2.0 69,-3.0 -2,-0.3 70,-1.6 -0.928 31.3-175.0-106.3 136.7 86.3 -10.8 -16.9 97 97 A Y E -JK 150 164B 0 53,-2.7 53,-2.1 -2,-0.5 2,-0.3 -0.902 16.7-161.7-135.5 149.8 84.9 -9.0 -19.9 98 98 A V E - K 0 163B 3 65,-2.4 65,-3.3 -2,-0.3 51,-0.1 -0.933 42.6 -90.1-122.5 152.8 84.9 -8.8 -23.7 99 99 A A E > - K 0 162B 11 49,-0.4 3,-2.3 46,-0.3 63,-0.2 -0.412 63.4 -88.2 -51.1 138.6 83.8 -6.1 -26.1 100 100 A Q T 3 S+ 0 0 118 61,-1.4 -1,-0.1 1,-0.3 3,-0.1 -0.288 116.3 16.9 -57.1 138.9 80.2 -6.7 -26.9 101 101 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.128 95.6 124.8 80.0 -17.8 80.0 -9.1 -29.9 102 102 A A < - 0 0 18 -3,-2.3 -1,-0.3 1,-0.1 -4,-0.1 -0.486 63.1-122.1 -78.1 145.5 83.6 -10.2 -29.6 103 103 A D > - 0 0 85 -2,-0.1 3,-1.5 1,-0.1 4,-0.2 -0.778 9.9-144.2 -91.7 125.5 84.2 -14.0 -29.3 104 104 A P G > S+ 0 0 56 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.765 96.7 63.9 -57.6 -32.3 86.2 -15.1 -26.1 105 105 A A G 3 S+ 0 0 88 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.676 101.0 53.8 -61.0 -21.7 88.1 -17.9 -28.0 106 106 A E G < S+ 0 0 134 -3,-1.5 2,-0.4 42,-0.1 -1,-0.2 0.494 80.8 112.2 -98.0 -2.0 89.7 -15.2 -30.1 107 107 A A < + 0 0 10 -3,-1.3 41,-0.2 -4,-0.2 3,-0.1 -0.589 29.4 162.9 -73.9 127.2 91.0 -13.2 -27.1 108 108 A R + 0 0 182 39,-2.3 22,-2.5 -2,-0.4 2,-0.4 0.439 56.6 62.2-118.9 -9.0 94.8 -13.3 -26.9 109 109 A I E -lm 130 148B 39 38,-1.5 40,-2.4 20,-0.2 2,-0.5 -0.972 60.3-154.0-129.5 132.7 95.4 -10.3 -24.6 110 110 A A E -lm 131 149B 0 20,-2.2 22,-3.0 -2,-0.4 2,-0.4 -0.928 17.9-166.7-101.9 133.0 94.5 -9.6 -21.0 111 111 A T E +lm 132 150B 6 38,-2.3 40,-1.7 -2,-0.5 2,-0.3 -0.968 28.2 113.0-123.4 133.9 94.2 -5.9 -20.1 112 112 A A E S-l 133 0B 0 20,-1.1 22,-1.4 -2,-0.4 25,-0.2 -0.933 73.4 -63.1-175.0 169.4 94.0 -4.3 -16.6 113 113 A H >> - 0 0 72 38,-0.3 4,-2.0 -2,-0.3 3,-1.3 -0.423 60.9-108.8 -56.4 146.1 96.0 -2.1 -14.2 114 114 A P H 3> S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.846 122.9 56.8 -53.3 -32.9 99.2 -4.2 -13.5 115 115 A H H 3> S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.867 107.4 50.3 -67.9 -28.2 98.0 -4.8 -9.9 116 116 A G H <> S+ 0 0 0 -3,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.900 109.1 48.9 -75.8 -41.1 94.8 -6.3 -11.5 117 117 A L H >< S+ 0 0 15 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.907 108.6 55.4 -62.0 -38.2 96.8 -8.6 -13.8 118 118 A A H >< S+ 0 0 50 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.846 108.6 47.7 -62.5 -33.4 98.8 -9.6 -10.7 119 119 A Q H 3< S+ 0 0 32 -4,-1.2 52,-4.0 1,-0.2 53,-0.4 0.588 113.5 48.4 -84.4 -11.3 95.5 -10.6 -9.0 120 120 A C T S+ 0 0 141 -3,-0.6 4,-2.9 1,-0.2 -1,-0.1 0.928 70.9 52.4 -63.7 -45.8 97.3 -14.7 -12.9 122 122 A R H > S+ 0 0 143 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.875 109.4 48.5 -61.3 -44.2 95.5 -18.1 -13.0 123 123 A F H > S+ 0 0 14 46,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.891 111.5 49.7 -59.6 -43.5 92.9 -16.8 -15.4 124 124 A I H <>S+ 0 0 18 -4,-1.7 5,-2.2 2,-0.2 4,-0.3 0.940 115.7 45.3 -63.8 -46.6 95.6 -15.3 -17.6 125 125 A A H ><5S+ 0 0 69 -4,-2.9 3,-2.6 1,-0.2 -2,-0.2 0.993 111.1 50.0 -52.3 -68.1 97.4 -18.7 -17.5 126 126 A E H 3<5S+ 0 0 140 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.733 116.9 43.3 -51.7 -24.6 94.4 -20.9 -18.1 127 127 A H T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.345 105.5-123.1-105.1 7.3 93.5 -18.7 -21.2 128 128 A R T < 5 + 0 0 215 -3,-2.6 2,-0.4 -4,-0.3 -3,-0.2 0.922 53.3 163.1 53.1 50.1 97.0 -18.4 -22.7 129 129 A L < - 0 0 17 -5,-2.2 -20,-0.2 -6,-0.1 -1,-0.2 -0.772 36.0-144.0-100.8 142.1 96.8 -14.6 -22.6 130 130 A S E -l 109 0B 62 -22,-2.5 -20,-2.2 -2,-0.4 2,-0.4 -0.366 33.6-115.2 -76.6 179.0 99.7 -12.2 -23.0 131 131 A T E -l 110 0B 81 -22,-0.2 -20,-0.2 -2,-0.1 -22,-0.0 -0.967 26.7-173.6-125.1 142.8 99.3 -9.1 -20.8 132 132 A Q E -l 111 0B 88 -22,-3.0 -20,-1.1 -2,-0.4 2,-0.1 -1.000 25.4-128.1-127.1 129.6 98.8 -5.4 -21.6 133 133 A P E -l 112 0B 105 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.451 21.8-168.6 -78.5 151.4 98.8 -2.7 -18.9 134 134 A A - 0 0 24 -22,-1.4 3,-0.1 -2,-0.1 4,-0.1 -0.920 35.6-112.9-130.0 159.3 96.1 -0.1 -18.5 135 135 A T S S- 0 0 122 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.829 99.8 -5.8 -63.0 -31.4 96.0 3.0 -16.3 136 136 A S S > S- 0 0 22 1,-0.2 4,-2.0 -23,-0.1 -1,-0.2 -0.974 70.3-111.6-153.0 160.3 93.2 1.4 -14.2 137 137 A N H > S+ 0 0 24 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 0.977 121.2 53.6 -56.2 -52.0 91.2 -1.7 -14.3 138 138 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.842 105.3 52.1 -47.9 -42.4 88.2 0.4 -15.1 139 139 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 106.5 55.6 -66.9 -36.6 90.0 2.1 -18.0 140 140 A A H < S+ 0 0 4 -4,-2.0 4,-0.2 -3,-0.4 -2,-0.2 0.926 109.6 44.3 -58.7 -46.3 90.7 -1.4 -19.4 141 141 A C H >< S+ 0 0 0 -4,-1.9 3,-1.1 10,-0.2 -2,-0.2 0.926 114.4 51.2 -68.9 -41.5 87.0 -2.3 -19.3 142 142 A R H 3< S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 113.9 43.5 -54.2 -43.5 86.1 1.2 -20.9 143 143 A D T 3< S+ 0 0 88 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.297 82.8 145.5 -95.8 9.0 88.6 0.7 -23.7 144 144 A L < + 0 0 19 -3,-1.1 -44,-0.1 -4,-0.2 -46,-0.1 -0.162 17.9 170.6 -50.5 138.6 87.8 -2.9 -24.5 145 145 A I > - 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0 0 13 -76,-0.4 -50,-0.3 2,-0.1 -51,-0.1 -0.135 68.2-118.6 -74.2 164.5 90.7 -13.3 -9.3 171 171 A D S S+ 0 0 39 -52,-4.0 2,-0.4 -53,-0.0 -51,-0.1 0.931 92.4 63.9 -68.4 -46.2 93.3 -15.6 -7.6 172 172 A Y - 0 0 129 -53,-0.4 2,-0.4 2,-0.0 3,-0.4 -0.657 69.8-151.1 -91.2 129.4 92.7 -14.5 -4.0 173 173 A Q S S+ 0 0 140 -2,-0.4 -80,-0.1 1,-0.2 -2,-0.0 -0.851 72.9 23.5 -93.3 134.1 89.3 -15.1 -2.2 174 174 A G + 0 0 54 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.647 69.6 142.7 97.6 18.7 88.3 -12.7 0.5 175 175 A A + 0 0 7 -83,-0.5 -83,-3.1 -3,-0.4 2,-0.3 -0.733 22.7 173.4 -88.2 145.4 90.0 -9.3 0.0 176 176 A A E - E 0 91A 25 -2,-0.3 -112,-2.2 -85,-0.3 2,-0.4 -0.993 22.3-147.2-152.8 146.0 88.0 -6.2 0.8 177 177 A T E -CE 63 90A 19 -87,-2.2 -87,-2.6 -2,-0.3 2,-0.4 -0.936 10.8-149.6-115.8 136.2 88.5 -2.5 1.1 178 178 A D E -CE 62 89A 39 -116,-3.3 -117,-2.7 -2,-0.4 -116,-1.6 -0.851 13.5-162.8-102.8 149.0 86.7 -0.2 3.4 179 179 A F E -CE 60 88A 3 -91,-2.5 -91,-2.4 -2,-0.4 2,-0.4 -0.910 10.0-136.6-130.0 147.5 86.0 3.4 2.5 180 180 A L E -CE 59 87A 0 -121,-2.6 -121,-2.0 -2,-0.3 2,-0.5 -0.866 9.6-140.8-106.2 141.6 85.1 6.4 4.6 181 181 A V E -CE 58 86A 0 -95,-2.3 -96,-2.7 -2,-0.4 -95,-0.7 -0.890 26.8-157.4 -97.4 131.9 82.4 9.0 3.7 182 182 A L E +CE 57 84A 1 -125,-3.0 -125,-1.9 -2,-0.5 -98,-0.2 -0.870 21.5 157.2-121.3 141.8 83.5 12.5 4.6 183 183 A S E - E 0 83A 0 -100,-2.0 -100,-2.1 -2,-0.3 -132,-0.1 -0.968 50.4 -73.3-153.5 161.8 81.8 15.8 5.4 184 184 A P > - 0 0 14 0, 0.0 4,-1.8 0, 0.0 -102,-0.2 -0.203 48.7-117.6 -57.7 153.3 82.4 19.0 7.2 185 185 A R H > S+ 0 0 76 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.893 108.3 53.9 -69.6 -42.4 82.2 18.6 11.0 186 186 A A H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 109.7 50.9 -59.6 -41.3 79.2 20.9 11.9 187 187 A E H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 112.1 46.3 -59.2 -47.7 77.1 19.0 9.3 188 188 A V H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.930 107.9 56.1 -63.0 -47.0 78.0 15.6 10.8 189 189 A A H < S+ 0 0 43 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.914 109.7 47.1 -50.5 -44.1 77.4 16.8 14.4 190 190 A R H >< S+ 0 0 193 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.909 109.5 52.8 -62.7 -43.0 73.9 17.7 13.3 191 191 A L H 3< S+ 0 0 38 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.831 111.6 48.2 -62.4 -27.2 73.5 14.3 11.6 192 192 A L T 3X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.270 79.2 106.9 -98.0 11.5 74.5 12.7 14.8 193 193 A A H <> S+ 0 0 44 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.888 77.7 49.1 -62.2 -43.8 72.2 14.7 17.1 194 194 A K H > S+ 0 0 140 -3,-0.3 4,-2.9 -4,-0.3 -1,-0.2 0.977 115.5 40.0 -61.9 -58.4 69.7 11.9 17.7 195 195 A P H 4>S+ 0 0 11 0, 0.0 5,-2.6 0, 0.0 4,-0.3 0.907 115.8 52.3 -63.7 -36.3 72.3 9.1 18.7 196 196 A R H ><5S+ 0 0 101 -4,-2.5 3,-1.4 3,-0.2 -2,-0.2 0.953 112.9 45.8 -56.7 -46.4 74.3 11.6 20.7 197 197 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.876 114.5 46.3 -66.3 -39.0 71.1 12.6 22.5 198 198 A E T 3<5S- 0 0 121 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.406 110.0-124.5 -80.3 7.9 70.1 9.0 23.1 199 199 A A T < 5 - 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