==== 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 BIOSYNTHETIC PROTEIN 22-FEB-06 2G4R . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS MOG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 447 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.4 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 . 3 0.7 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 . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 5 2 1 3 4 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 6 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 3 0 3 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 0 0 3 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 3 A T 0 0 64 0, 0.0 3,-0.1 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 106.3 13.7 13.8 10.1 2 4 A R + 0 0 192 1,-0.2 2,-0.4 61,-0.0 34,-0.4 0.274 360.0 47.0-168.1 -47.2 12.0 16.2 12.7 3 5 A S + 0 0 38 32,-0.1 60,-1.4 57,-0.1 59,-0.7 -0.948 57.5 152.9-124.4 137.5 9.3 14.6 15.1 4 6 A A E -a 63 0A 15 -2,-0.4 2,-0.3 58,-0.2 60,-0.2 -0.968 26.7-148.2-152.6 159.2 9.2 11.4 17.1 5 7 A R E -a 64 0A 61 58,-2.0 60,-2.5 -2,-0.3 2,-0.4 -0.985 11.0-148.7-128.6 157.9 8.0 9.5 20.1 6 8 A I E -a 65 0A 0 33,-0.5 35,-2.7 -2,-0.3 2,-0.5 -0.961 9.8-171.6-123.5 126.6 9.6 6.8 22.2 7 9 A V E -ab 66 41A 0 58,-2.4 60,-2.1 -2,-0.4 2,-0.6 -0.959 3.1-167.1-125.2 112.4 7.6 4.1 23.9 8 10 A V E -ab 67 42A 9 33,-3.0 35,-3.0 -2,-0.5 2,-0.7 -0.893 12.7-149.1 -98.6 124.9 9.3 1.8 26.3 9 11 A V E + b 0 43A 8 58,-3.2 2,-0.3 -2,-0.6 35,-0.2 -0.844 43.4 123.5-102.2 107.7 7.3 -1.3 27.2 10 12 A S > - 0 0 33 33,-2.8 4,-2.8 -2,-0.7 5,-0.2 -0.808 44.4-155.1-163.2 119.3 7.8 -2.6 30.7 11 13 A S H > S+ 0 0 15 -2,-0.3 4,-1.6 2,-0.2 315,-0.2 0.937 100.0 47.1 -66.2 -41.8 5.1 -3.1 33.3 12 14 A R H 4>S+ 0 0 139 2,-0.2 5,-2.1 1,-0.2 6,-0.4 0.944 115.4 44.4 -61.8 -48.8 7.6 -2.9 36.1 13 15 A A H >45S+ 0 0 2 1,-0.2 3,-1.8 4,-0.2 5,-0.3 0.908 110.7 54.9 -64.7 -36.8 9.3 0.3 34.7 14 16 A A H 3<5S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 104.8 54.1 -66.6 -31.6 5.9 1.8 33.9 15 17 A A T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.438 119.4-113.4 -78.5 -2.7 4.9 1.4 37.6 16 18 A G T < 5S+ 0 0 35 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.709 92.1 105.8 76.4 23.1 8.0 3.2 38.6 17 19 A V S + 0 0 85 -2,-0.7 4,-0.9 2,-0.1 -1,-0.2 0.731 68.1 58.8 -92.6 -17.4 18.0 2.2 30.4 22 24 A C H > S+ 0 0 6 -3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.888 95.6 59.3 -76.5 -44.5 16.7 1.8 26.9 23 25 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 103.7 50.5 -50.2 -51.5 14.7 5.0 26.6 24 26 A P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.884 108.2 54.4 -56.6 -38.7 17.6 7.4 27.3 25 27 A I H X S+ 0 0 28 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.945 111.6 44.1 -57.9 -47.8 19.7 5.6 24.6 26 28 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.921 111.5 53.9 -65.1 -42.2 16.9 6.2 22.0 27 29 A A H X S+ 0 0 16 -4,-2.7 4,-1.4 1,-0.2 11,-0.3 0.884 110.3 46.8 -60.2 -39.1 16.4 9.8 23.2 28 30 A G H X S+ 0 0 24 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.910 111.5 49.7 -71.2 -42.6 20.1 10.6 22.7 29 31 A W H X S+ 0 0 30 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.903 109.1 53.0 -63.1 -41.1 20.3 8.9 19.3 30 32 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.3 1,-0.2 3,-0.7 0.871 105.8 54.1 -60.5 -36.3 17.2 10.9 18.1 31 33 A E H ><5S+ 0 0 135 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.860 105.6 53.6 -66.0 -35.9 18.9 14.1 19.2 32 34 A Q H 3<5S+ 0 0 164 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.636 108.4 51.9 -71.5 -15.7 21.9 13.2 17.0 33 35 A H T <<5S- 0 0 59 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.004 126.3 -83.9-118.6 28.8 19.5 12.7 14.0 34 36 A G T < 5S+ 0 0 54 -3,-0.9 2,-0.2 1,-0.4 -3,-0.2 0.582 96.6 102.9 89.7 9.2 17.5 16.0 13.9 35 37 A F < - 0 0 5 -5,-2.3 -1,-0.4 -6,-0.2 2,-0.3 -0.503 57.7-141.7 -98.4-178.4 14.8 15.4 16.4 36 38 A S - 0 0 94 -34,-0.4 -32,-0.2 -2,-0.2 3,-0.1 -0.797 47.8 -16.2 168.9 161.5 14.9 16.8 19.8 37 39 A S + 0 0 70 -2,-0.3 2,-0.4 175,-0.2 -1,-0.1 0.600 61.1 167.8 -98.8 127.3 14.3 16.4 22.7 38 40 A V - 0 0 19 -11,-0.3 -1,-0.2 -12,-0.1 -7,-0.1 -0.886 20.2-150.8-105.9 137.3 12.0 13.5 23.1 39 41 A Q - 0 0 26 -2,-0.4 -33,-0.5 -3,-0.1 151,-0.1 -0.857 26.6-105.0-105.6 137.9 11.3 11.9 26.4 40 42 A P - 0 0 22 0, 0.0 2,-0.6 0, 0.0 -33,-0.2 -0.358 21.4-148.1 -58.0 137.6 10.5 8.2 26.8 41 43 A Q E -b 7 0A 14 -35,-2.7 -33,-3.0 150,-0.1 2,-0.5 -0.946 15.8-156.5 -98.1 123.3 6.9 7.1 27.6 42 44 A V E +b 8 0A 15 148,-1.0 2,-0.3 -2,-0.6 -33,-0.2 -0.884 20.4 169.2-106.4 126.3 7.1 4.0 29.6 43 45 A V E -b 9 0A 23 -35,-3.0 -33,-2.8 -2,-0.5 -29,-0.2 -0.924 33.4-100.6-136.2 158.4 4.0 1.8 29.5 44 46 A A - 0 0 11 -2,-0.3 5,-0.3 -35,-0.2 -33,-0.1 -0.339 48.6 -88.8 -73.3 161.6 2.9 -1.7 30.5 45 47 A D S S+ 0 0 31 3,-0.1 2,-0.3 -36,-0.1 -1,-0.1 -0.308 93.6 19.6 -63.0 148.0 2.7 -4.7 28.2 46 48 A G S >> S+ 0 0 13 1,-0.2 3,-2.1 29,-0.1 4,-1.1 -0.672 121.8 10.2 101.3-143.6 -0.6 -5.0 26.4 47 49 A N H 3> S+ 0 0 92 -2,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.814 119.1 64.6 -49.3 -41.5 -3.4 -2.5 25.8 48 50 A P H 3> S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.793 100.4 55.4 -55.7 -26.0 -1.2 0.5 27.0 49 51 A V H <> S+ 0 0 0 -3,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.947 108.6 45.1 -68.1 -53.9 1.0 -0.3 24.0 50 52 A G H X S+ 0 0 8 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.926 113.9 51.1 -50.2 -48.7 -1.9 -0.0 21.5 51 53 A E H X S+ 0 0 117 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 111.2 46.6 -58.7 -49.6 -3.1 3.1 23.3 52 54 A A H X S+ 0 0 6 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.914 114.9 46.6 -61.4 -40.1 0.4 4.8 23.1 53 55 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.940 112.3 48.1 -70.3 -46.9 0.8 3.9 19.4 54 56 A H H X S+ 0 0 85 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.945 112.9 50.3 -58.8 -45.1 -2.6 5.0 18.3 55 57 A D H X S+ 0 0 86 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.868 111.9 47.0 -59.8 -36.9 -2.1 8.2 20.1 56 58 A A H <>S+ 0 0 0 -4,-1.9 5,-1.5 2,-0.2 4,-0.3 0.923 113.4 46.8 -78.3 -36.1 1.2 8.8 18.5 57 59 A V H ><5S+ 0 0 24 -4,-2.7 3,-1.7 1,-0.2 63,-0.2 0.906 110.2 53.2 -66.6 -41.1 0.0 8.0 15.0 58 60 A N H 3<5S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 103.3 58.4 -74.1 -23.6 -3.0 10.3 15.5 59 61 A A T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.591 112.2-126.1 -67.9 -16.1 -0.6 13.0 16.5 60 62 A G T < 5 + 0 0 49 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.803 43.3 173.8 71.3 31.0 1.1 12.6 13.1 61 63 A V < - 0 0 9 -5,-1.5 -1,-0.2 1,-0.1 -57,-0.2 -0.382 35.1-133.3 -65.4 149.1 4.6 12.1 14.4 62 64 A D S S+ 0 0 37 -59,-0.7 60,-2.5 1,-0.2 2,-0.4 0.839 84.0 17.5 -70.4 -35.5 7.2 11.1 11.7 63 65 A V E -ac 4 122A 1 -60,-1.4 -58,-2.0 58,-0.2 2,-0.5 -0.991 54.6-165.4-147.1 134.5 8.7 8.2 13.7 64 66 A I E -ac 5 123A 0 58,-3.2 60,-3.0 -2,-0.4 2,-0.5 -0.981 10.8-166.6-119.2 126.8 7.9 6.0 16.7 65 67 A I E -ac 6 124A 0 -60,-2.5 -58,-2.4 -2,-0.5 2,-0.3 -0.941 8.2-169.7-111.8 120.0 10.6 4.0 18.3 66 68 A T E -ac 7 125A 0 58,-3.0 60,-2.4 -2,-0.5 2,-0.4 -0.861 5.2-163.0-108.2 149.8 9.6 1.2 20.7 67 69 A S E +ac 8 126A 1 -60,-2.1 -58,-3.2 -2,-0.3 61,-0.2 -0.994 48.3 2.8-134.5 127.2 11.7 -0.9 23.0 68 70 A G S S+ 0 0 5 58,-1.9 58,-0.1 -2,-0.4 -58,-0.1 -0.023 79.3 79.7 97.5 167.4 10.8 -4.2 24.8 69 71 A G + 0 0 11 -60,-0.2 9,-2.0 9,-0.1 -23,-0.1 0.628 66.0 110.4 76.4 15.6 7.9 -6.7 24.8 70 72 A T + 0 0 6 8,-0.2 42,-3.4 7,-0.2 -1,-0.1 0.492 53.7 88.8-101.3 -5.3 9.0 -8.4 21.5 71 73 A G S S- 0 0 20 40,-0.2 40,-0.1 41,-0.1 7,-0.1 0.186 90.4 -94.2 -80.2-156.5 10.2 -11.7 22.8 72 74 A I S S+ 0 0 114 3,-0.1 -1,-0.1 5,-0.0 39,-0.1 0.061 74.8 125.0-116.5 20.4 8.4 -14.9 23.4 73 75 A S S > S- 0 0 48 1,-0.1 3,-1.3 2,-0.0 260,-0.0 -0.318 77.4-102.6 -73.9 164.6 7.5 -14.6 27.1 74 76 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 255,-0.0 0.940 121.9 43.0 -54.7 -43.5 3.8 -14.9 28.1 75 77 A T T 3 S+ 0 0 34 254,-0.1 2,-1.0 2,-0.0 -29,-0.1 0.386 82.4 109.9 -87.9 0.5 3.5 -11.2 28.5 76 78 A D < + 0 0 30 -3,-1.3 4,-0.1 1,-0.2 -6,-0.1 -0.697 27.0 140.3 -81.8 99.1 5.4 -10.0 25.3 77 79 A T > + 0 0 41 -2,-1.0 4,-2.2 2,-0.1 5,-0.2 0.171 27.6 112.5-124.0 17.8 2.7 -8.6 23.0 78 80 A T H > S+ 0 0 0 -9,-2.0 4,-2.2 2,-0.2 5,-0.2 0.916 78.9 52.5 -56.3 -46.4 4.4 -5.5 21.5 79 81 A P H > S+ 0 0 5 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.938 110.1 49.2 -60.8 -42.7 4.5 -7.0 17.9 80 82 A E H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.933 112.7 45.4 -59.4 -51.9 0.8 -7.8 18.0 81 83 A H H X S+ 0 0 39 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.823 115.1 48.9 -60.3 -34.0 -0.2 -4.3 19.2 82 84 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 3,-0.3 0.921 109.8 50.1 -70.3 -51.6 2.2 -2.7 16.5 83 85 A V H < S+ 0 0 77 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 106.9 57.6 -54.5 -39.2 0.8 -4.9 13.7 84 86 A A H < S+ 0 0 76 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.882 112.4 39.5 -61.2 -40.1 -2.7 -3.8 14.7 85 87 A V H < S+ 0 0 13 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.791 100.4 94.4 -77.0 -30.7 -1.9 -0.2 14.3 86 88 A L < - 0 0 17 -4,-2.3 32,-0.3 1,-0.1 3,-0.1 -0.283 61.2-153.2 -69.0 146.0 0.2 -0.6 11.1 87 89 A D S S- 0 0 112 30,-2.9 2,-0.3 1,-0.3 31,-0.2 0.871 84.6 -18.7 -73.1 -45.6 -1.0 -0.2 7.6 88 90 A Y E -D 117 0A 131 29,-1.7 29,-1.7 -3,-0.0 -1,-0.3 -0.988 68.8-107.9-155.4 166.2 1.8 -2.6 6.6 89 91 A V E -D 116 0A 69 -2,-0.3 27,-0.3 27,-0.2 25,-0.0 -0.587 10.5-144.1 -96.5 157.5 5.1 -4.1 7.7 90 92 A I > - 0 0 51 25,-2.7 4,-1.7 -2,-0.2 3,-0.4 -0.875 22.2-177.4-118.4 88.5 8.6 -3.5 6.4 91 93 A P H > S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.887 75.1 56.3 -62.4 -39.1 10.1 -7.1 6.7 92 94 A G H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.853 107.2 49.1 -63.2 -34.0 13.6 -6.2 5.6 93 95 A L H > S+ 0 0 18 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.939 112.2 46.8 -72.9 -46.4 14.1 -3.6 8.2 94 96 A A H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.921 114.4 48.9 -58.0 -44.9 12.8 -5.9 11.1 95 97 A D H X S+ 0 0 70 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.935 111.2 49.1 -60.7 -48.1 15.1 -8.7 9.8 96 98 A A H X S+ 0 0 25 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.881 109.1 52.8 -63.1 -42.9 18.2 -6.4 9.5 97 99 A I H X S+ 0 0 15 -4,-2.4 4,-0.8 2,-0.2 3,-0.2 0.917 111.4 47.4 -56.4 -45.3 17.5 -5.2 13.1 98 100 A R H >< S+ 0 0 60 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.943 113.7 46.7 -57.9 -47.9 17.5 -8.9 14.2 99 101 A R H >< S+ 0 0 151 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.717 98.3 73.3 -70.0 -19.1 20.6 -9.7 12.3 100 102 A S H 3< S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 105.1 34.9 -63.5 -37.0 22.3 -6.5 13.7 101 103 A G T < - 0 0 73 -4,-2.4 3,-2.5 -3,-0.1 4,-0.2 -0.831 59.5-173.4-110.3 88.8 23.7 -12.3 20.9 106 108 A P G > S+ 0 0 92 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.744 78.3 68.8 -55.5 -27.7 22.4 -15.5 19.3 107 109 A T G > + 0 0 90 1,-0.3 3,-2.2 2,-0.1 4,-0.2 0.487 69.4 97.4 -75.5 -3.2 19.0 -15.1 21.0 108 110 A S G X S+ 0 0 24 -3,-2.5 3,-2.0 1,-0.3 -1,-0.3 0.833 70.9 70.2 -41.7 -43.1 18.5 -12.1 18.7 109 111 A V G < S+ 0 0 95 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.536 88.6 63.5 -54.1 -15.8 16.5 -14.5 16.5 110 112 A L G < S+ 0 0 80 -3,-2.2 2,-0.5 -12,-0.1 -1,-0.3 0.504 74.4 105.3 -91.7 -10.5 13.8 -14.7 19.2 111 113 A S < - 0 0 21 -3,-2.0 -40,-0.2 -4,-0.2 -13,-0.1 -0.673 53.4-164.5 -74.6 128.4 12.8 -11.0 19.0 112 114 A R + 0 0 78 -42,-3.4 -1,-0.1 -2,-0.5 -41,-0.1 0.105 33.1 150.1 -99.1 21.5 9.5 -10.8 17.2 113 115 A G - 0 0 4 -19,-0.1 2,-0.3 1,-0.1 -15,-0.1 -0.111 25.8-164.9 -58.4 144.0 9.8 -7.1 16.4 114 116 A V - 0 0 25 12,-0.1 11,-2.0 -20,-0.0 2,-0.3 -0.788 7.1-157.9-116.7 166.7 8.2 -5.6 13.4 115 117 A C E + E 0 124A 0 -2,-0.3 -25,-2.7 9,-0.2 2,-0.3 -0.949 29.4 132.0-132.9 156.7 8.6 -2.2 11.7 116 118 A G E -DE 89 123A 0 7,-2.3 7,-2.9 -2,-0.3 2,-0.4 -0.975 48.3 -82.9-176.5-170.8 6.1 -0.6 9.3 117 119 A V E -DE 88 122A 4 -29,-1.7 -30,-2.9 -2,-0.3 -29,-1.7 -0.935 24.9-176.8-118.7 138.3 4.1 2.4 8.3 118 120 A A E > S- E 0 121A 2 3,-2.2 3,-2.4 -2,-0.4 2,-0.5 -0.952 74.1 -41.5-130.5 115.0 0.8 3.7 9.8 119 121 A G T 3 S- 0 0 49 -2,-0.4 -61,-0.1 1,-0.3 -62,-0.0 -0.573 124.7 -32.6 61.1-115.4 -0.6 6.7 8.0 120 122 A R T 3 S+ 0 0 152 -2,-0.5 2,-0.4 -63,-0.2 -1,-0.3 0.089 116.8 108.1-118.4 22.8 2.6 8.7 7.4 121 123 A T E < - 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0 0 11 32,-0.2 60,-1.4 33,-0.1 59,-0.6 -0.955 360.0-177.7-122.7 147.9 7.0 15.9 28.7 157 6 B A E -f 216 0B 3 -2,-0.3 34,-0.4 58,-0.2 2,-0.4 -0.964 16.3-154.3-137.7 154.3 7.2 15.9 32.5 158 7 B R E -f 217 0B 43 58,-2.0 60,-2.7 -2,-0.3 2,-0.5 -0.980 11.3-152.9-119.7 144.2 9.2 14.4 35.4 159 8 B I E -fg 218 193B 0 33,-0.7 35,-1.9 -2,-0.4 2,-0.7 -0.969 7.1-166.1-108.6 124.5 7.8 13.8 38.9 160 9 B V E -fg 219 194B 0 58,-2.8 60,-2.3 -2,-0.5 2,-0.5 -0.881 2.2-164.1-114.2 103.1 10.3 13.8 41.7 161 10 B V E -fg 220 195B 8 33,-2.8 35,-2.7 -2,-0.7 2,-0.7 -0.739 13.2-149.9 -79.7 125.0 8.8 12.5 44.9 162 11 B V E + g 0 196B 8 58,-3.7 2,-0.2 -2,-0.5 35,-0.2 -0.888 43.4 121.0-107.4 104.5 11.2 13.5 47.7 163 12 B S > - 0 0 34 33,-2.4 4,-2.8 -2,-0.7 5,-0.2 -0.767 46.6-154.4-160.0 120.2 11.3 11.1 50.6 164 13 B S H > S+ 0 0 52 -2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.937 103.4 48.8 -60.0 -43.0 14.3 9.1 52.1 165 14 B R H >>S+ 0 0 140 2,-0.2 5,-2.3 1,-0.2 6,-1.7 0.899 113.5 44.7 -62.8 -42.3 11.8 6.5 53.4 166 15 B A H >45S+ 0 0 15 4,-0.2 3,-1.3 1,-0.2 -2,-0.2 0.940 112.8 51.7 -68.7 -42.6 10.0 6.1 50.0 167 16 B A H 3<5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 109.5 51.5 -54.2 -36.8 13.4 6.1 48.2 168 17 B A H 3<5S- 0 0 71 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.582 115.0-116.5 -79.1 -9.8 14.4 3.3 50.6 169 18 B G T <<5S+ 0 0 48 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.524 90.3 112.9 78.7 9.2 11.3 1.2 49.9 170 19 B V S + 0 0 87 -2,-1.0 4,-0.9 2,-0.1 -1,-0.2 0.774 69.7 56.2 -92.7 -30.1 1.2 7.6 47.0 175 24 B C H > S+ 0 0 3 1,-0.2 4,-2.4 106,-0.2 3,-0.3 0.864 95.4 64.6 -72.0 -40.7 1.7 11.1 45.7 176 25 B G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 104.5 44.6 -48.5 -53.8 3.8 10.2 42.6 177 26 B P H > S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.759 111.0 55.4 -60.2 -31.5 0.8 8.2 40.9 178 27 B I H X S+ 0 0 9 -4,-0.9 4,-1.3 -3,-0.3 -2,-0.2 0.911 112.0 42.7 -67.3 -44.2 -1.6 11.0 41.8 179 28 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -3,-0.2 0.930 110.3 56.6 -70.1 -44.0 0.6 13.5 40.0 180 29 B A H X S+ 0 0 17 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.925 107.1 48.5 -52.7 -47.4 1.2 11.2 37.0 181 30 B G H X S+ 0 0 23 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.861 108.6 53.7 -63.3 -37.2 -2.6 10.7 36.3 182 31 B W H X S+ 0 0 37 -4,-1.3 4,-0.7 2,-0.2 3,-0.4 0.953 106.9 52.5 -62.3 -44.6 -3.2 14.5 36.4 183 32 B L H ><>S+ 0 0 5 -4,-2.3 3,-1.4 1,-0.2 5,-1.1 0.920 103.6 56.8 -61.4 -41.2 -0.5 15.1 33.9 184 33 B E H ><5S+ 0 0 94 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.893 102.9 54.0 -59.2 -38.0 -1.9 12.5 31.4 185 34 B Q H 3<5S+ 0 0 165 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.659 105.1 56.6 -68.2 -16.9 -5.3 14.4 31.3 186 35 B H T <<5S- 0 0 82 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.166 128.3 -94.1-104.0 17.5 -3.4 17.5 30.4 187 36 B G T < 5S+ 0 0 53 -3,-1.6 2,-0.5 1,-0.3 -3,-0.2 0.884 73.0 147.2 81.1 39.5 -1.8 16.0 27.4 188 37 B F < - 0 0 13 -5,-1.1 -1,-0.3 1,-0.2 -32,-0.2 -0.932 30.5-167.5-104.5 133.2 1.5 14.8 28.7 189 38 B S + 0 0 28 -34,-1.7 -1,-0.2 -2,-0.5 -33,-0.1 0.959 59.5 80.3 -79.2 -61.7 2.9 11.5 27.1 190 39 B S + 0 0 9 -35,-0.5 -148,-1.0 -149,-0.1 -32,-0.1 0.702 49.5 94.8 10.8-127.0 5.7 10.9 29.7 191 40 B V + 0 0 40 -34,-0.4 -7,-0.1 1,-0.2 -150,-0.1 -0.079 20.5 166.5-112.7 148.3 6.3 9.6 33.0 192 41 B Q - 0 0 33 1,-0.1 -33,-0.7 -2,-0.0 -1,-0.2 -0.594 53.8-118.9 -53.9 136.9 7.3 7.3 35.7 193 42 B P E -g 159 0B 18 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.249 22.9-137.1 -61.9 177.4 7.7 9.2 38.7 194 43 B Q E -g 160 0B 48 -35,-1.9 -33,-2.8 -3,-0.1 2,-0.4 -0.920 9.4-152.8-124.8 160.1 11.1 9.2 40.3 195 44 B V E +g 161 0B 48 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.993 20.2 171.4-132.5 123.5 11.6 8.8 44.0 196 45 B V E -g 162 0B 24 -35,-2.7 -33,-2.4 -2,-0.4 -29,-0.2 -0.916 33.1-102.4-132.0 158.3 14.7 10.3 45.7 197 46 B A - 0 0 30 -2,-0.3 5,-0.3 -35,-0.2 -33,-0.0 -0.301 49.8 -87.2 -71.9 160.6 16.0 10.9 49.2 198 47 B D S S+ 0 0 40 3,-0.1 2,-0.3 -36,-0.1 -1,-0.1 -0.267 94.1 17.9 -57.2 152.5 15.9 14.3 50.9 199 48 B G S >> S+ 0 0 15 1,-0.2 3,-2.3 29,-0.2 4,-0.7 -0.616 122.1 11.9 91.0-140.0 18.9 16.5 50.2 200 49 B N H 3> S+ 0 0 120 1,-0.3 4,-2.1 -2,-0.3 -1,-0.2 0.744 117.0 65.6 -55.9 -33.6 21.5 16.2 47.5 201 50 B P H 3> S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.818 95.7 59.5 -57.3 -31.6 19.6 13.7 45.5 202 51 B V H <> S+ 0 0 0 -3,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.948 105.9 46.8 -57.1 -51.8 17.0 16.3 44.9 203 52 B G H X S+ 0 0 11 -4,-0.7 4,-2.7 1,-0.2 5,-0.2 0.902 112.4 52.1 -54.9 -44.2 19.6 18.5 43.2 204 53 B E H X S+ 0 0 130 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.891 110.8 46.2 -57.9 -47.8 20.8 15.5 41.2 205 54 B A H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 112.7 48.5 -69.2 -42.9 17.4 14.7 40.0 206 55 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.922 112.4 49.9 -64.0 -42.0 16.5 18.3 39.0 207 56 B H H X S+ 0 0 91 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.939 110.6 48.6 -66.0 -40.2 19.7 18.6 37.1 208 57 B D H X S+ 0 0 91 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.909 114.5 46.3 -60.0 -44.3 19.3 15.4 35.2 209 58 B A H X>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 4,-0.8 0.894 112.9 48.9 -69.5 -36.9 15.7 16.4 34.3 210 59 B V H ><5S+ 0 0 25 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.961 111.9 49.7 -67.4 -48.3 16.8 20.0 33.3 211 60 B N H 3<5S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.4 53.7 -52.7 -37.2 19.6 18.6 31.1 212 61 B A H 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.685 113.1-127.2 -75.6 -20.3 17.3 16.2 29.4 213 62 B G T <<5 + 0 0 25 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.800 39.5 176.4 87.2 32.0 15.2 19.2 28.6 214 63 B V < - 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