==== 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 OXIDOREDUCTASE 09-FEB-10 3LQK . COMPND 2 MOLECULE: DIPICOLINATE SYNTHASE SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR B.NOCEK,O.KAGAN,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST C . 195 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.6 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 . 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 . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.1 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 0 0 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 104 0, 0.0 2,-0.4 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 111.6 13.4 29.2 7.7 2 2 A N - 0 0 119 2,-0.1 31,-0.1 1,-0.1 27,-0.0 -0.962 360.0-175.3-148.8 118.7 11.1 28.2 4.9 3 3 A F > + 0 0 3 29,-2.0 3,-2.4 -2,-0.4 32,-0.3 0.124 31.5 152.3-103.6 17.0 8.5 30.3 3.1 4 4 A A T 3 S+ 0 0 58 28,-0.4 30,-0.2 1,-0.3 3,-0.1 -0.238 73.2 12.4 -45.2 126.2 7.0 27.5 0.9 5 5 A G T 3 S+ 0 0 79 28,-0.9 2,-0.4 1,-0.3 -1,-0.3 0.500 98.8 130.1 85.3 -1.6 3.4 28.3 0.1 6 6 A K < - 0 0 78 -3,-2.4 29,-3.4 27,-0.3 2,-0.7 -0.766 49.9-148.0-100.1 138.6 3.7 31.9 1.3 7 7 A H E -a 35 0A 31 -2,-0.4 79,-2.5 27,-0.2 80,-1.2 -0.899 22.9-179.4-104.8 107.8 2.5 34.9 -0.7 8 8 A V E -ab 36 87A 2 27,-2.7 29,-2.4 -2,-0.7 2,-0.4 -0.929 17.7-147.0-113.8 128.8 4.7 37.9 0.1 9 9 A G E -ab 37 88A 0 78,-2.8 80,-2.9 -2,-0.4 2,-0.4 -0.781 10.4-161.3 -90.7 145.3 4.2 41.3 -1.4 10 10 A F E -ab 38 89A 0 27,-2.9 29,-2.3 -2,-0.4 2,-0.4 -0.887 8.4-171.7-135.4 96.5 7.4 43.3 -2.0 11 11 A G E -ab 39 90A 0 78,-3.1 80,-2.7 -2,-0.4 2,-0.5 -0.770 6.3-157.5 -94.2 138.9 6.9 47.0 -2.5 12 12 A L - 0 0 0 27,-2.1 29,-0.4 -2,-0.4 2,-0.3 -0.925 11.1-175.3-115.0 128.9 9.6 49.4 -3.5 13 13 A T + 0 0 0 79,-1.4 2,-0.1 -2,-0.5 27,-0.0 -0.906 42.7 19.8-119.3 161.8 9.5 53.1 -2.9 14 14 A G S S+ 0 0 33 -2,-0.3 27,-0.1 80,-0.1 2,-0.1 -0.430 103.3 3.9 90.0-162.7 11.8 56.1 -3.8 15 15 A S > - 0 0 69 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.320 63.2-130.0 -64.4 136.2 14.4 56.3 -6.7 16 16 A H G > S+ 0 0 95 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.705 104.4 63.2 -54.2 -26.1 14.7 53.3 -9.0 17 17 A C G 3 S+ 0 0 96 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.421 90.0 65.5 -89.3 1.9 18.5 53.2 -8.6 18 18 A T G X S+ 0 0 44 -3,-2.1 3,-0.9 1,-0.1 4,-0.3 0.331 77.8 87.8 -96.4 0.1 18.3 52.5 -4.8 19 19 A Y G X> + 0 0 3 -3,-0.9 4,-2.5 1,-0.2 3,-0.6 0.527 61.8 84.8 -82.7 -1.0 16.8 49.0 -5.4 20 20 A H G 34 S+ 0 0 133 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.750 88.1 55.9 -70.1 -20.3 20.1 47.3 -5.8 21 21 A E G <4 S+ 0 0 69 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.754 117.6 31.2 -80.8 -21.4 20.1 46.9 -2.0 22 22 A V T X> S+ 0 0 0 -3,-0.6 4,-1.9 -4,-0.3 3,-1.0 0.732 99.3 75.5-109.4 -24.6 16.7 45.1 -1.9 23 23 A L H 3X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.3 5,-0.1 0.882 94.0 55.9 -60.4 -36.8 16.4 43.0 -5.1 24 24 A P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.834 108.2 49.8 -60.6 -29.0 18.9 40.4 -3.8 25 25 A Q H <> S+ 0 0 17 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.873 107.3 52.7 -77.4 -35.1 16.6 40.1 -0.8 26 26 A X H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.916 109.4 51.0 -58.9 -42.8 13.6 39.7 -3.1 27 27 A E H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.926 106.6 53.3 -63.4 -43.6 15.6 36.9 -4.8 28 28 A R H X S+ 0 0 69 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.863 105.7 53.9 -57.6 -41.4 16.3 35.1 -1.5 29 29 A L H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 -1,-0.2 0.934 109.6 47.1 -60.9 -43.7 12.6 35.1 -0.6 30 30 A V H ><5S+ 0 0 49 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.915 112.0 51.4 -63.4 -39.8 11.8 33.3 -4.0 31 31 A E H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.9 54.3 -66.8 -31.8 14.7 30.9 -3.3 32 32 A L T 3<5S- 0 0 44 -4,-2.1 -29,-2.0 -5,-0.2 -28,-0.4 0.298 130.0 -98.1 -80.7 2.7 13.3 30.2 0.1 33 33 A G T < 5S+ 0 0 35 -3,-1.6 -28,-0.9 1,-0.3 -27,-0.3 0.449 73.8 142.8 105.4 -0.8 10.0 29.3 -1.6 34 34 A A < - 0 0 7 -5,-2.4 2,-0.7 -30,-0.2 -1,-0.3 -0.459 51.6-129.7 -72.9 147.8 7.9 32.4 -1.3 35 35 A K E -a 7 0A 114 -29,-3.4 -27,-2.7 -32,-0.3 2,-0.6 -0.909 34.3-157.3 -88.2 113.7 5.6 33.6 -4.1 36 36 A V E -a 8 0A 1 -2,-0.7 31,-0.4 -29,-0.2 -27,-0.2 -0.880 14.9-167.5-108.9 120.3 6.6 37.2 -4.4 37 37 A T E -a 9 0A 3 -29,-2.4 -27,-2.9 -2,-0.6 2,-0.2 -0.913 18.0-140.5-101.6 117.6 4.4 39.9 -5.8 38 38 A P E -a 10 0A 0 0, 0.0 32,-3.5 0, 0.0 2,-0.4 -0.556 14.9-166.9 -78.4 138.7 6.2 43.2 -6.6 39 39 A F E -ac 11 70A 0 -29,-2.3 -27,-2.1 -2,-0.2 2,-0.3 -0.982 7.2-175.3-120.7 137.2 4.4 46.5 -5.9 40 40 A V - 0 0 2 30,-2.6 70,-0.3 -2,-0.4 -27,-0.1 -0.831 31.9-120.7-135.3 168.4 5.7 49.8 -7.2 41 41 A T S S+ 0 0 31 -29,-0.4 2,-0.3 -2,-0.3 30,-0.1 0.684 88.5 26.3 -94.4 -16.1 4.7 53.4 -6.8 42 42 A H S S- 0 0 143 66,-0.1 30,-0.1 30,-0.1 -1,-0.1 -0.954 95.9 -74.0-140.9 165.4 3.9 54.4 -10.4 43 43 A T - 0 0 93 -2,-0.3 3,-0.1 1,-0.1 29,-0.1 -0.235 34.7-142.4 -56.3 138.2 2.9 52.8 -13.7 44 44 A V S S+ 0 0 36 1,-0.2 2,-0.3 25,-0.1 -1,-0.1 0.629 80.7 26.7 -85.2 -13.9 5.7 50.9 -15.2 45 45 A Q - 0 0 136 9,-0.1 2,-0.2 4,-0.0 -1,-0.2 -0.997 60.7-156.4-148.3 141.6 4.8 51.9 -18.8 46 46 A T > - 0 0 61 -2,-0.3 3,-1.2 -3,-0.1 -2,-0.0 -0.694 41.8-104.9-103.3 167.1 3.0 54.8 -20.5 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.901 123.0 58.2 -53.3 -35.1 1.4 54.5 -24.0 48 48 A D T 3 S+ 0 0 90 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.747 77.5 117.9 -66.8 -29.4 4.5 56.4 -25.1 49 49 A T < - 0 0 59 -3,-1.2 2,-0.2 1,-0.1 -4,-0.0 -0.145 51.8-143.0 -61.6 133.9 7.2 54.0 -23.9 50 50 A K > - 0 0 47 1,-0.0 3,-2.3 2,-0.0 4,-0.4 -0.580 27.8 -84.7-101.3 164.4 9.5 52.4 -26.5 51 51 A F T 3 S+ 0 0 113 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.613 116.2 11.3 -36.1 -65.3 11.2 48.9 -26.9 52 52 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 -0.027 99.0 101.3-109.1 28.6 14.4 48.9 -24.8 53 53 A E < + 0 0 133 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.698 50.3 110.3 -81.2 -21.9 13.8 52.1 -22.9 54 54 A S S S- 0 0 43 -4,-0.4 5,-0.1 -3,-0.3 -9,-0.1 -0.294 78.1-107.9 -62.9 133.1 12.6 50.4 -19.7 55 55 A S >> - 0 0 56 1,-0.1 4,-1.2 3,-0.0 3,-0.9 -0.201 24.9-110.2 -61.7 154.5 15.1 50.8 -16.9 56 56 A E H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 111.9 66.7 -53.4 -43.9 17.3 47.8 -15.8 57 57 A W H 3> S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.832 99.0 50.6 -51.2 -41.0 15.5 47.5 -12.4 58 58 A I H <> S+ 0 0 11 -3,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.956 110.8 48.2 -62.6 -51.1 12.2 46.5 -14.1 59 59 A N H X S+ 0 0 76 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.902 110.2 53.9 -52.0 -45.8 14.0 43.8 -16.1 60 60 A K H >X S+ 0 0 112 -4,-2.5 4,-1.0 1,-0.2 3,-0.5 0.937 107.4 49.1 -59.4 -44.3 15.7 42.6 -12.9 61 61 A I H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-1.1 0.943 109.4 53.6 -56.4 -44.9 12.4 42.2 -11.0 62 62 A K H 3< S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 106.3 52.4 -66.6 -23.2 11.1 40.2 -14.0 63 63 A Q H << S+ 0 0 161 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.656 112.9 45.3 -80.0 -24.3 14.1 37.9 -13.8 64 64 A I H << S+ 0 0 26 -3,-1.1 2,-0.3 -4,-1.0 -2,-0.2 0.855 125.1 11.8 -85.2 -43.5 13.4 37.3 -10.1 65 65 A T < - 0 0 17 -4,-2.5 -1,-0.3 -5,-0.1 -30,-0.0 -0.993 48.4-153.1-143.6 142.8 9.6 36.7 -10.2 66 66 A E + 0 0 100 -2,-0.3 -4,-0.1 -3,-0.1 -29,-0.1 0.452 62.0 117.6 -92.9 -3.9 6.9 36.1 -12.8 67 67 A E S S- 0 0 62 -31,-0.4 -2,-0.1 1,-0.1 3,-0.1 -0.480 80.1-100.7 -62.4 130.7 4.1 37.6 -10.6 68 68 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.300 38.2-110.0 -52.5 133.9 2.7 40.7 -12.4 69 69 A I - 0 0 17 -32,-0.1 2,-1.0 1,-0.1 -30,-0.2 -0.491 25.4-134.5 -66.7 124.6 4.1 43.9 -11.0 70 70 A V B +c 39 0A 6 -32,-3.5 -30,-2.6 -2,-0.3 43,-0.1 -0.791 43.3 153.0 -88.7 106.9 1.3 45.8 -9.2 71 71 A D + 0 0 17 -2,-1.0 2,-0.3 -32,-0.2 -1,-0.1 0.123 50.9 52.8-124.4 21.1 1.7 49.3 -10.4 72 72 A S S > S- 0 0 31 -30,-0.1 4,-1.4 1,-0.1 5,-0.1 -0.971 79.8-114.6-152.4 159.3 -1.8 50.8 -10.0 73 73 A X H > S+ 0 0 73 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.892 115.8 56.1 -62.8 -42.3 -4.6 51.2 -7.4 74 74 A V H 4 S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.859 109.9 45.3 -55.5 -44.0 -6.9 48.9 -9.4 75 75 A K H 4 S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.793 114.4 48.7 -72.2 -27.9 -4.3 46.1 -9.3 76 76 A A H >< S+ 0 0 0 -4,-1.4 3,-1.4 -3,-0.2 -2,-0.2 0.806 95.0 72.5 -82.0 -32.0 -3.5 46.6 -5.6 77 77 A E G >< S+ 0 0 103 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.810 85.2 62.3 -61.0 -38.3 -7.0 46.6 -4.2 78 78 A P G 3>>S+ 0 0 34 0, 0.0 5,-2.5 0, 0.0 4,-1.9 0.678 82.3 82.1 -63.3 -17.7 -7.8 42.8 -4.7 79 79 A F G <45S+ 0 0 19 -3,-1.4 6,-0.7 3,-0.2 -2,-0.2 0.534 92.7 52.6 -63.9 -4.8 -5.0 42.0 -2.3 80 80 A G T <45S+ 0 0 2 -3,-1.8 -1,-0.1 4,-0.1 -3,-0.1 0.887 127.4 8.0 -84.3 -76.6 -7.6 42.7 0.4 81 81 A P T 45S+ 0 0 75 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 0.779 136.4 28.9 -83.7 -26.0 -10.7 40.7 -0.4 82 82 A K T <5S+ 0 0 181 -4,-1.9 -3,-0.2 -5,-0.2 -5,-0.0 0.882 126.9 19.3-104.1 -49.9 -9.6 38.3 -3.3 83 83 A T S - 0 0 34 -2,-0.6 4,-2.6 34,-0.2 36,-0.2 -0.105 26.6-104.2 -73.1 170.6 11.5 56.4 2.0 95 95 A G H > S+ 0 0 9 34,-0.4 4,-2.4 2,-0.2 5,-0.2 0.912 122.3 50.6 -61.9 -42.1 10.8 59.3 4.3 96 96 A N H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 113.0 44.9 -62.3 -49.0 7.9 60.4 2.2 97 97 A S H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.868 110.9 56.0 -61.6 -38.9 6.3 56.9 2.2 98 98 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.935 109.8 44.1 -59.0 -45.8 7.0 56.6 5.9 99 99 A S H X S+ 0 0 28 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.870 114.3 48.6 -77.7 -27.2 5.0 59.7 6.7 100 100 A K H ><>S+ 0 0 34 -4,-2.0 5,-2.5 2,-0.2 3,-0.5 0.944 114.5 46.4 -64.6 -48.9 2.2 58.9 4.4 101 101 A F H ><5S+ 0 0 21 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.947 112.7 49.5 -60.3 -47.6 2.0 55.3 5.8 102 102 A A H 3<5S+ 0 0 12 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.718 112.1 48.7 -65.5 -24.4 2.1 56.5 9.4 103 103 A N T <<5S- 0 0 84 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.236 117.8-108.9-103.5 11.7 -0.6 59.1 8.8 104 104 A A T < 5 + 0 0 85 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.734 66.9 147.5 72.4 22.8 -3.0 56.6 7.0 105 105 A X < - 0 0 90 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.691 23.7-177.1 -86.2 146.6 -2.6 58.0 3.6 106 106 A T + 0 0 31 -2,-0.3 -5,-0.0 -3,-0.1 -1,-0.0 -0.621 30.3 132.6-145.9 73.5 -2.9 55.4 1.0 107 107 A D + 0 0 87 -2,-0.2 -1,-0.1 -34,-0.0 3,-0.1 -0.138 56.3 63.5-124.6 29.5 -2.3 57.0 -2.4 108 108 A S S > S- 0 0 5 1,-0.1 4,-2.3 -36,-0.1 5,-0.2 -0.972 85.4-113.2-142.8 159.4 0.2 54.6 -4.0 109 109 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 -68,-0.2 0.883 117.3 52.9 -57.9 -36.6 -0.0 51.0 -5.1 110 110 A V H > S+ 0 0 0 -70,-0.3 4,-2.0 1,-0.2 5,-0.1 0.936 110.4 45.3 -62.5 -47.7 2.5 50.1 -2.4 111 111 A L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.833 110.5 55.2 -70.4 -29.3 0.6 51.8 0.4 112 112 A X H X S+ 0 0 37 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.917 105.6 52.2 -69.5 -37.8 -2.6 50.2 -0.8 113 113 A G H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.919 111.5 46.8 -57.5 -44.0 -0.9 46.8 -0.6 114 114 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 3,-0.5 0.938 113.3 48.1 -63.2 -47.9 0.0 47.5 3.0 115 115 A K H X S+ 0 0 121 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.931 110.8 51.4 -58.7 -45.2 -3.5 48.8 3.8 116 116 A A H X S+ 0 0 8 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.763 111.9 47.3 -65.1 -24.2 -5.0 45.7 2.2 117 117 A T H ><>S+ 0 0 0 -4,-1.2 5,-2.2 -3,-0.5 3,-0.7 0.907 111.3 49.3 -85.1 -43.0 -2.8 43.4 4.3 118 118 A L H ><5S+ 0 0 48 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.838 100.2 66.9 -62.1 -32.0 -3.5 45.3 7.5 119 119 A R H 3<5S+ 0 0 160 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.6 45.0 -54.3 -41.3 -7.2 45.0 6.8 120 120 A N T <<5S- 0 0 46 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.256 119.1-107.8 -87.8 8.7 -6.8 41.2 7.2 121 121 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.743 74.9 139.9 72.8 16.4 -4.8 41.4 10.4 122 122 A K < - 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0 0 0 -27,-2.7 -25,-0.3 -2,-0.4 21,-0.1 -0.589 59.1 -86.4 -62.9 133.9 13.7 45.3 9.6 154 154 A P - 0 0 2 0, 0.0 16,-2.9 0, 0.0 2,-0.3 -0.167 62.5-178.9 -52.8 143.4 16.5 46.0 12.1 155 155 A F E +Gh 169 191B 6 35,-2.6 37,-2.8 14,-0.3 2,-0.3 -0.858 17.0 168.3-143.3 173.4 17.9 49.5 11.5 156 156 A G E -G 168 0B 7 12,-1.6 12,-2.3 -2,-0.3 2,-0.5 -0.959 48.9 -60.4-172.7 176.9 20.6 52.0 12.7 157 157 A Q E -G 167 0B 78 35,-0.3 37,-0.5 -2,-0.3 10,-0.2 -0.635 38.2-164.5 -78.3 126.7 22.3 55.2 11.9 158 158 A D S S+ 0 0 52 8,-0.7 -1,-0.2 -2,-0.5 9,-0.1 0.781 81.1 4.4 -88.1 -21.5 24.2 54.8 8.6 159 159 A N > + 0 0 64 4,-0.4 4,-3.1 7,-0.4 -1,-0.2 -0.526 65.1 178.4-159.6 83.0 26.5 57.9 9.0 160 160 A P T 4 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.794 80.2 49.9 -65.0 -28.9 26.1 59.7 12.2 161 161 A Q T 4 S+ 0 0 179 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.916 124.6 26.2 -77.2 -36.7 28.7 62.4 11.6 162 162 A V T 4 S+ 0 0 111 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.839 137.3 24.1 -97.6 -39.7 27.4 63.4 8.2 163 163 A K >< + 0 0 79 -4,-3.1 3,-2.3 1,-0.1 -4,-0.4 -0.647 69.4 173.6-124.8 74.3 23.8 62.5 8.3 164 164 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.734 78.3 47.4 -63.9 -21.0 22.9 62.6 12.0 165 165 A N T 3 S+ 0 0 73 -34,-0.4 -31,-2.4 -6,-0.1 -32,-0.5 0.365 87.7 115.2 -92.9 1.6 19.1 62.0 11.5 166 166 A S < + 0 0 1 -3,-2.3 -8,-0.7 -7,-0.2 2,-0.4 -0.644 38.3 179.4 -83.3 127.0 19.5 59.2 9.0 167 167 A L E +FG 130 157B 13 -37,-1.9 -37,-2.0 -2,-0.4 2,-0.3 -0.986 3.3 178.4-119.3 138.2 18.3 55.7 9.8 168 168 A V E -FG 129 156B 19 -12,-2.3 -12,-1.6 -2,-0.4 -39,-0.2 -0.992 24.9-120.9-138.1 137.4 18.6 52.8 7.3 169 169 A A E - G 0 155B 0 -41,-2.0 2,-1.1 -2,-0.3 -14,-0.3 -0.390 23.1-116.1 -71.4 151.6 17.6 49.1 7.6 170 170 A R > - 0 0 96 -16,-2.9 3,-2.0 1,-0.2 4,-0.1 -0.828 29.5-163.1 -83.7 101.0 20.0 46.2 7.3 171 171 A X G > S+ 0 0 17 -2,-1.1 3,-1.9 1,-0.3 -1,-0.2 0.755 81.3 69.7 -66.2 -28.1 18.4 44.7 4.3 172 172 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.712 92.4 61.1 -57.6 -26.3 20.1 41.3 4.9 173 173 A A G <> S+ 0 0 10 -3,-2.0 4,-2.1 -19,-0.2 -1,-0.3 0.353 75.0 103.0 -78.7 6.0 17.9 40.9 7.9 174 174 A L H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.953 77.8 46.8 -61.9 -46.9 14.7 41.0 5.8 175 175 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.891 112.4 49.5 -63.6 -41.3 13.9 37.2 5.8 176 176 A E H > S+ 0 0 46 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.886 109.9 52.3 -59.4 -41.1 14.4 36.8 9.4 177 177 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.907 110.3 48.5 -63.4 -40.4 12.2 39.9 10.1 178 178 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.949 108.9 53.8 -63.7 -45.5 9.5 38.2 7.9 179 179 A E H X S+ 0 0 78 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.893 113.0 42.0 -58.3 -40.7 9.8 35.0 9.8 180 180 A A H ><>S+ 0 0 2 -4,-2.1 5,-2.8 1,-0.2 3,-0.8 0.900 112.3 54.8 -74.1 -38.8 9.3 36.6 13.1 181 181 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.839 100.0 59.5 -60.1 -39.0 6.5 38.8 11.8 182 182 A L H 3<5S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 107.2 48.6 -63.6 -24.2 4.6 35.8 10.5 183 183 A R T <<5S- 0 0 150 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.252 126.5-102.0 -92.4 7.4 4.6 34.6 14.2 184 184 A G T < 5S+ 0 0 40 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.737 83.2 121.2 82.8 21.9 3.4 37.9 15.5 185 185 A Q < - 0 0 108 -5,-2.8 2,-0.5 -8,-0.1 -1,-0.2 -0.922 63.4-126.8-127.5 146.4 6.8 39.1 16.7 186 186 A Q - 0 0 36 -2,-0.3 2,-0.1 -3,-0.1 4,-0.1 -0.781 39.0-120.7 -78.1 123.5 9.3 41.9 16.1 187 187 A Y - 0 0 85 -2,-0.5 -35,-0.1 -35,-0.2 -10,-0.1 -0.433 43.0 -99.9 -68.8 141.0 12.7 40.4 15.3 188 188 A Q S S+ 0 0 114 1,-0.1 2,-0.1 -2,-0.1 -1,-0.0 -0.896 94.9 34.9-128.5 147.3 15.4 41.4 17.8 189 189 A P + 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.474 64.2 176.4 -71.1 133.6 17.7 43.3 18.1 190 190 A V + 0 0 14 -36,-0.1 -35,-2.6 1,-0.1 2,-0.6 0.727 67.4 66.1 -81.2 -22.0 15.7 45.9 16.2 191 191 A L B S+h 155 0B 117 -37,-0.2 2,-0.2 -35,-0.0 -35,-0.2 -0.901 70.6 165.8-101.7 119.3 18.4 48.5 16.7 192 192 A I - 0 0 21 -37,-2.8 2,-0.7 -2,-0.6 -35,-0.3 -0.766 42.0-104.2-123.8 173.6 21.7 47.5 15.0 193 193 A E - 0 0 170 -2,-0.2 2,-0.3 -37,-0.1 -35,-0.1 -0.902 39.7-132.2 -99.5 113.7 25.0 49.2 14.1 194 194 A K 0 0 59 -2,-0.7 -37,-0.0 -37,-0.5 -25,-0.0 -0.548 360.0 360.0 -73.4 129.5 25.0 49.9 10.4 195 195 A F 0 0 148 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.025 360.0 360.0 39.3 360.0 28.2 48.8 8.6