==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-SEP-10 3OTG . COMPND 2 MOLECULE: CALG1; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR A.CHANG,S.SINGH,C.A.BINGMAN,J.S.THORSON,G.N.PHILLIPS JR.,CEN . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 4 2 2 0 0 1 2 1 1 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 G 0 0 75 0, 0.0 3,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 39.6 -7.0 52.2 52.6 2 -1 A R + 0 0 218 1,-0.2 29,-0.1 385,-0.1 30,-0.1 -0.699 360.0 7.4 -96.9 153.6 -6.1 55.0 55.0 3 0 A H S S- 0 0 128 27,-0.3 -1,-0.2 -2,-0.3 29,-0.2 0.902 83.9-177.2 41.8 60.2 -6.4 54.8 58.8 4 1 A X - 0 0 6 -3,-0.3 29,-2.9 110,-0.0 2,-0.6 -0.458 30.3-122.6 -78.8 157.9 -7.2 51.1 58.9 5 2 A R E -a 33 0A 60 108,-0.2 110,-2.5 27,-0.2 111,-1.3 -0.935 35.5-172.5 -96.9 116.9 -8.0 49.2 62.0 6 3 A V E -ab 34 116A 0 27,-2.5 29,-2.3 -2,-0.6 2,-0.7 -0.964 11.9-156.1-119.1 125.4 -5.5 46.4 62.1 7 4 A L E -ab 35 117A 1 109,-2.7 111,-2.5 -2,-0.5 2,-0.3 -0.891 7.1-167.6-104.3 109.9 -5.6 43.6 64.7 8 5 A F E -ab 36 118A 0 27,-2.7 29,-3.1 -2,-0.7 2,-0.3 -0.702 8.8-174.1 -86.7 147.2 -2.3 41.9 65.5 9 6 A A E +ab 37 119A 0 109,-2.2 111,-2.6 -2,-0.3 2,-0.3 -0.929 9.0 162.3-148.7 121.0 -2.6 38.6 67.5 10 7 A S - 0 0 1 27,-2.8 7,-0.1 -2,-0.3 2,-0.1 -0.871 44.3 -89.3-131.7 164.7 0.1 36.5 68.9 11 8 A L - 0 0 12 -2,-0.3 2,-1.5 5,-0.2 5,-0.1 -0.466 53.6-103.5 -66.0 150.0 0.7 33.7 71.5 12 9 A G S S+ 0 0 43 26,-0.2 2,-0.3 -2,-0.1 29,-0.1 -0.211 85.5 95.8 -84.0 46.9 1.5 35.2 74.9 13 10 A T S > S- 0 0 39 -2,-1.5 4,-1.9 1,-0.1 3,-0.3 -0.898 80.4-115.4-121.7 163.3 5.3 34.7 75.1 14 11 A H H > S+ 0 0 47 -2,-0.3 4,-2.6 1,-0.2 3,-0.1 0.933 115.9 54.2 -59.3 -45.5 8.1 37.0 74.3 15 12 A G H 4 S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.809 114.6 39.1 -59.7 -32.8 9.3 34.8 71.5 16 13 A H H 4 S+ 0 0 45 -3,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 0.715 124.0 39.1 -91.0 -20.2 5.9 34.7 69.8 17 14 A T H >X S+ 0 0 0 -4,-1.9 3,-1.7 -7,-0.1 4,-0.6 0.899 103.8 61.1 -94.7 -49.8 5.0 38.4 70.4 18 15 A Y G >< S+ 0 0 38 -4,-2.6 3,-1.5 -5,-0.3 -3,-0.1 0.829 94.6 62.8 -49.7 -42.6 8.2 40.4 69.9 19 16 A P G 34 S+ 0 0 21 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.748 104.0 49.6 -60.7 -22.7 8.7 39.4 66.2 20 17 A L G <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.590 89.0 83.8 -89.1 -13.4 5.4 41.1 65.3 21 18 A L H S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.933 110.6 45.2 -61.8 -45.1 8.2 46.1 64.3 23 20 A L H > S+ 0 0 0 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.889 114.5 50.2 -61.6 -38.3 5.5 45.6 61.6 24 21 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.921 110.4 49.1 -66.4 -43.0 2.9 46.9 64.2 25 22 A T H X S+ 0 0 58 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.903 111.7 49.1 -60.5 -41.1 5.1 49.9 64.9 26 23 A A H X S+ 0 0 3 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.870 108.9 54.4 -67.0 -34.8 5.4 50.6 61.2 27 24 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.2 0.930 109.6 45.4 -63.9 -46.9 1.7 50.2 60.8 28 25 A R H ><5S+ 0 0 130 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.898 110.5 54.4 -61.9 -40.1 1.0 52.8 63.5 29 26 A A H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.794 103.1 57.4 -66.2 -26.3 3.6 55.1 61.9 30 27 A A T 3<5S- 0 0 55 -4,-1.4 -27,-0.3 -3,-0.2 -1,-0.3 0.468 130.2 -96.4 -82.6 -3.0 1.8 54.8 58.6 31 28 A G T < 5S+ 0 0 27 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.476 79.1 136.4 105.1 5.5 -1.4 56.1 60.3 32 29 A H < - 0 0 16 -5,-2.3 2,-0.7 -29,-0.2 -1,-0.3 -0.517 56.8-119.0 -87.9 154.2 -3.2 52.9 61.2 33 30 A E E -a 5 0A 109 -29,-2.9 -27,-2.5 -2,-0.2 2,-0.5 -0.820 32.7-154.5 -92.0 113.8 -4.9 52.1 64.5 34 31 A V E -a 6 0A 7 -2,-0.7 18,-2.7 16,-0.3 2,-0.4 -0.798 16.7-177.5-100.8 124.6 -3.2 49.1 66.0 35 32 A T E -ac 7 52A 15 -29,-2.3 -27,-2.7 -2,-0.5 2,-0.5 -0.961 14.1-160.4-110.2 133.5 -4.9 46.7 68.4 36 33 A F E -ac 8 53A 0 16,-2.8 18,-2.2 -2,-0.4 2,-0.5 -0.936 5.0-162.6-126.5 114.4 -2.6 44.0 69.7 37 34 A A E +ac 9 54A 0 -29,-3.1 -27,-2.8 -2,-0.5 2,-0.3 -0.816 39.8 102.9 -96.0 126.2 -3.9 40.7 71.2 38 35 A T E S- c 0 55A 0 16,-2.2 18,-2.7 -2,-0.5 -26,-0.2 -0.899 71.6 -20.8-170.1-163.8 -1.5 38.6 73.3 39 36 A G > - 0 0 14 -2,-0.3 3,-1.8 16,-0.2 4,-0.2 -0.218 57.7-120.7 -56.9 146.6 -0.7 37.8 77.0 40 37 A E G > S+ 0 0 128 1,-0.3 3,-2.0 16,-0.3 4,-0.2 0.838 107.7 70.6 -56.1 -35.3 -1.9 40.3 79.6 41 38 A G G 3 S+ 0 0 77 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.622 90.8 59.4 -60.9 -14.1 1.7 40.8 80.8 42 39 A F G <> S+ 0 0 13 -3,-1.8 4,-2.9 1,-0.2 -1,-0.3 0.467 73.6 100.9 -92.8 -1.5 2.5 42.7 77.6 43 40 A A H <> S+ 0 0 6 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 0.873 81.6 49.0 -51.8 -46.3 -0.1 45.4 78.1 44 41 A G H > S+ 0 0 29 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.938 112.9 46.3 -61.0 -48.4 2.5 47.9 79.4 45 42 A T H > S+ 0 0 26 -4,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.914 114.4 49.1 -60.5 -42.5 4.9 47.4 76.5 46 43 A L H <>S+ 0 0 2 -4,-2.9 5,-2.5 1,-0.2 3,-0.5 0.918 109.6 49.7 -66.8 -44.3 2.0 47.6 74.0 47 44 A R H ><5S+ 0 0 153 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.914 106.7 56.8 -59.7 -42.4 0.6 50.8 75.4 48 45 A K H 3<5S+ 0 0 179 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 105.0 52.1 -58.6 -30.2 4.0 52.4 75.3 49 46 A L T 3<5S- 0 0 37 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.467 123.2-108.1 -85.4 -1.0 4.1 51.6 71.6 50 47 A G T < 5S+ 0 0 38 -3,-2.0 -16,-0.3 1,-0.3 2,-0.3 0.688 76.0 133.7 82.5 20.7 0.8 53.3 71.2 51 48 A F < - 0 0 7 -5,-2.5 -1,-0.3 -6,-0.1 -16,-0.2 -0.698 61.6-119.4 -98.4 154.3 -1.2 50.1 70.6 52 49 A E E -c 35 0A 126 -18,-2.7 -16,-2.8 -2,-0.3 2,-0.2 -0.859 36.4-141.0 -90.3 113.7 -4.5 49.1 72.2 53 50 A P E -c 36 0A 20 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.462 18.2-171.0 -77.9 144.4 -3.7 45.9 74.1 54 51 A V E -c 37 0A 18 -18,-2.2 -16,-2.2 -2,-0.2 2,-0.6 -0.996 20.7-130.9-132.2 135.1 -6.1 43.0 74.3 55 52 A A E +c 38 0A 52 -2,-0.4 2,-0.3 -18,-0.2 -16,-0.2 -0.784 35.2 161.5 -95.6 120.3 -5.5 40.1 76.7 56 53 A T + 0 0 11 -18,-2.7 -16,-0.3 -2,-0.6 2,-0.1 -0.874 31.5 35.3-127.7 165.4 -5.7 36.5 75.3 57 54 A G - 0 0 25 -2,-0.3 -19,-0.0 40,-0.2 -17,-0.0 -0.308 67.4 -99.0 94.6-173.4 -4.6 33.1 76.2 58 55 A X - 0 0 38 -2,-0.1 -46,-0.1 -19,-0.0 5,-0.1 -0.946 41.7 -76.4-145.4 162.6 -4.2 31.3 79.5 59 56 A P > - 0 0 81 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.262 46.3-114.2 -59.1 150.9 -1.4 30.4 82.0 60 57 A V H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.898 114.2 56.7 -52.1 -45.4 0.9 27.5 80.8 61 58 A F H > S+ 0 0 148 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.918 103.3 51.9 -56.5 -48.3 -0.3 25.3 83.7 62 59 A D H > S+ 0 0 75 1,-0.2 4,-1.9 -3,-0.2 -1,-0.3 0.838 107.3 55.3 -59.9 -32.4 -4.0 25.6 82.7 63 60 A G H X S+ 0 0 2 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.938 111.1 41.0 -66.3 -49.0 -3.1 24.5 79.2 64 61 A F H X S+ 0 0 75 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.833 111.7 56.8 -71.6 -31.2 -1.4 21.3 80.1 65 62 A L H X S+ 0 0 36 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.925 109.2 46.7 -63.1 -42.3 -4.0 20.5 82.7 66 63 A A H X S+ 0 0 28 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.912 112.8 49.4 -65.1 -40.2 -6.7 20.7 80.0 67 64 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.901 108.4 53.3 -65.0 -43.4 -4.6 18.6 77.7 68 65 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 6,-0.6 0.911 112.2 44.7 -55.5 -46.3 -4.0 16.0 80.3 69 66 A R H X S+ 0 0 121 -4,-2.0 4,-1.4 4,-0.2 -2,-0.2 0.919 115.1 48.1 -66.7 -44.5 -7.8 15.7 80.9 70 67 A I H < S+ 0 0 65 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.920 123.7 29.3 -62.5 -45.5 -8.6 15.6 77.2 71 68 A R H < S+ 0 0 103 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.882 138.0 17.0 -87.1 -41.2 -6.0 13.0 76.3 72 69 A F H < S- 0 0 32 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.403 88.5-126.5-119.0 0.8 -5.7 10.8 79.4 73 70 A D S < S+ 0 0 145 -4,-1.4 2,-0.3 -5,-0.5 -4,-0.2 0.899 73.9 105.1 52.3 46.8 -8.7 11.6 81.6 74 71 A T - 0 0 49 -6,-0.6 -2,-0.2 -9,-0.2 -1,-0.2 -0.972 67.6-140.9-148.4 159.5 -6.6 12.5 84.6 75 72 A D S S+ 0 0 102 -2,-0.3 -6,-0.1 -3,-0.1 -7,-0.1 0.536 84.8 63.8 -95.7 -8.6 -5.5 15.6 86.5 76 73 A S - 0 0 46 2,-0.1 -1,-0.0 -8,-0.1 -11,-0.0 -0.919 64.6-148.3-125.8 142.2 -2.0 14.4 87.1 77 74 A P > + 0 0 65 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.664 64.2 119.0 -74.9 -18.5 1.0 13.4 85.0 78 75 A E T 3 S+ 0 0 174 1,-0.3 -2,-0.1 0, 0.0 3,-0.1 -0.200 75.0 20.5 -57.1 135.2 2.1 10.8 87.5 79 76 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.322 96.3 120.2 90.2 -8.1 2.2 7.2 86.2 80 77 A L < - 0 0 33 -3,-2.0 -1,-0.3 1,-0.0 -8,-0.0 -0.764 65.4-120.9 -92.9 134.1 2.4 8.4 82.6 81 78 A T >> - 0 0 63 -2,-0.4 4,-2.6 1,-0.1 3,-0.6 -0.343 24.8-113.0 -66.6 149.7 5.3 7.4 80.5 82 79 A P H 3> S+ 0 0 108 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.813 121.5 57.4 -51.0 -29.9 7.5 10.2 79.0 83 80 A E H 34 S+ 0 0 147 2,-0.2 4,-0.3 1,-0.2 -3,-0.0 0.886 106.5 46.3 -68.9 -40.8 6.1 9.0 75.7 84 81 A Q H X4 S+ 0 0 62 -3,-0.6 3,-1.7 1,-0.2 -1,-0.2 0.927 111.6 52.3 -64.6 -43.1 2.6 9.5 76.8 85 82 A L H >< S+ 0 0 60 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.797 99.3 63.3 -63.8 -29.9 3.5 13.0 78.1 86 83 A S T 3< S+ 0 0 73 -4,-1.4 4,-0.3 1,-0.3 -1,-0.3 0.609 90.6 69.5 -72.6 -9.8 5.0 13.8 74.8 87 84 A E T < S+ 0 0 54 -3,-1.7 4,-0.5 -4,-0.3 -1,-0.3 0.530 86.5 71.4 -79.9 -6.0 1.5 13.5 73.3 88 85 A L S X> S+ 0 0 8 -3,-1.7 4,-2.6 1,-0.2 3,-0.9 0.879 79.2 65.1 -83.4 -42.7 0.4 16.6 75.2 89 86 A P H 3> S+ 0 0 35 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.864 99.2 55.4 -51.7 -40.1 2.0 19.6 73.4 90 87 A Q H 3> S+ 0 0 39 -4,-0.3 4,-1.9 1,-0.2 5,-0.2 0.857 111.7 44.7 -63.7 -32.9 0.1 19.0 70.2 91 88 A I H <>>S+ 0 0 7 -3,-0.9 5,-2.7 -4,-0.5 4,-1.5 0.890 112.7 50.5 -76.5 -40.7 -3.1 19.2 72.1 92 89 A V H <>S+ 0 0 4 -4,-2.6 5,-2.5 3,-0.2 -2,-0.2 0.968 123.4 29.5 -60.1 -49.8 -2.0 22.3 74.1 93 90 A F H <5S+ 0 0 72 -4,-3.0 31,-0.3 -5,-0.2 -2,-0.2 0.747 127.8 38.6 -87.3 -25.1 -1.0 24.2 70.9 94 91 A G H <5S+ 0 0 0 -4,-1.9 67,-0.3 -5,-0.3 -3,-0.2 0.624 133.9 10.8 -99.0 -16.9 -3.3 22.8 68.3 95 92 A R T X5S+ 0 0 79 -4,-1.5 4,-2.1 -5,-0.2 -3,-0.2 0.704 122.1 43.0-124.4 -59.8 -6.5 22.5 70.4 96 93 A V H > S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.888 109.2 51.7 -60.9 -39.7 -6.6 28.0 69.8 99 96 A Q H X S+ 0 0 63 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.952 113.8 44.3 -56.9 -51.4 -10.1 27.2 71.2 100 97 A R H X S+ 0 0 96 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.954 116.8 44.6 -58.2 -51.6 -9.5 29.7 74.0 101 98 A V H X S+ 0 0 2 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.916 110.9 54.5 -62.4 -43.4 -8.1 32.4 71.7 102 99 A F H X S+ 0 0 17 -4,-3.2 4,-0.9 -5,-0.3 -1,-0.2 0.937 112.4 44.0 -53.6 -48.4 -10.8 31.8 69.1 103 100 A D H >< S+ 0 0 81 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.919 112.6 50.6 -65.8 -43.7 -13.5 32.4 71.7 104 101 A E H 3X S+ 0 0 55 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.835 109.2 51.4 -63.9 -33.5 -11.8 35.4 73.2 105 102 A L H 3X S+ 0 0 2 -4,-2.3 4,-3.1 -5,-0.2 5,-0.4 0.651 89.7 80.7 -81.7 -13.9 -11.4 37.1 69.8 106 103 A Q H S+ 0 0 65 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.888 117.2 53.9 -60.6 -41.6 -16.2 39.7 71.0 108 105 A V H X S+ 0 0 9 -4,-0.9 4,-2.4 2,-0.2 5,-0.3 0.933 111.6 42.7 -61.5 -47.7 -13.1 41.7 70.1 109 106 A I H X S+ 0 0 11 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.903 112.9 55.1 -67.3 -39.0 -13.5 41.3 66.3 110 107 A E H < S+ 0 0 130 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.948 116.8 34.4 -57.4 -51.9 -17.3 42.0 66.7 111 108 A R H < S+ 0 0 167 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.818 122.4 45.3 -77.0 -30.4 -16.8 45.3 68.4 112 109 A L H < S- 0 0 31 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.830 80.2-157.3 -84.1 -33.0 -13.6 46.4 66.6 113 110 A R < - 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0 0 85 -4,-2.6 3,-1.6 -5,-0.2 4,-0.6 -0.675 67.0-155.3 -86.1 115.0 38.0 30.0 64.3 360 357 A E H 3> S+ 0 0 159 -2,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.615 82.4 77.9 -66.5 -13.5 37.3 33.0 62.2 361 358 A S H 3> S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.795 88.2 56.9 -69.8 -27.2 34.9 31.1 59.9 362 359 A Y H <> S+ 0 0 34 -3,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.928 108.8 44.2 -70.9 -45.4 32.1 31.2 62.4 363 360 A R H X S+ 0 0 134 -4,-0.6 4,-2.7 -7,-0.2 -2,-0.2 0.895 113.8 53.7 -62.1 -39.7 32.1 35.0 62.6 364 361 A A H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.957 109.5 46.4 -58.2 -52.2 32.4 35.0 58.8 365 362 A G H X S+ 0 0 11 -4,-2.9 4,-1.7 -31,-0.5 -30,-0.3 0.926 113.8 48.6 -55.5 -47.3 29.3 32.8 58.4 366 363 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -32,-0.3 -55,-0.3 0.911 109.9 51.6 -62.7 -41.8 27.3 34.8 60.9 367 364 A R H X S+ 0 0 138 -4,-2.7 4,-2.0 -56,-0.3 -1,-0.2 0.830 104.2 57.7 -67.6 -31.1 28.3 38.1 59.2 368 365 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.932 109.6 44.6 -61.2 -44.9 27.2 36.8 55.8 369 366 A V H X S+ 0 0 4 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.908 108.5 57.1 -67.7 -38.9 23.7 36.1 57.2 370 367 A A H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.904 107.3 49.9 -55.5 -41.0 23.8 39.6 58.9 371 368 A A H X S+ 0 0 63 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.926 110.5 48.7 -64.2 -44.6 24.4 41.0 55.4 372 369 A E H X S+ 0 0 51 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.891 111.6 50.5 -60.6 -38.6 21.4 39.0 54.0 373 370 A I H >< S+ 0 0 12 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.915 107.1 53.4 -67.6 -41.0 19.2 40.2 56.8 374 371 A A H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.3 53.2 -63.2 -33.8 20.2 43.8 56.3 375 372 A A H 3< S+ 0 0 90 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.575 87.3 103.8 -79.2 -10.0 19.2 43.6 52.6 376 373 A X S << S- 0 0 5 -3,-1.1 -173,-0.0 -4,-0.5 2,-0.0 -0.384 89.9 -84.9 -69.6 152.5 15.7 42.2 53.4 377 374 A P - 0 0 29 0, 0.0 -173,-3.0 0, 0.0 -1,-0.1 -0.336 47.9-129.1 -59.5 133.6 12.7 44.7 53.1 378 375 A G >> - 0 0 11 -175,-0.2 4,-2.4 -3,-0.1 3,-1.0 -0.367 24.9-100.2 -82.8 163.2 12.2 46.7 56.3 379 376 A P H 3> S+ 0 0 18 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.869 121.7 56.5 -49.4 -43.8 8.9 47.2 58.2 380 377 A D H 3> S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -357,-0.0 0.851 111.5 42.9 -60.9 -34.5 8.3 50.6 56.6 381 378 A E H X4 S+ 0 0 110 -3,-1.0 3,-0.7 2,-0.2 -1,-0.2 0.922 116.6 46.2 -74.4 -44.8 8.5 49.1 53.1 382 379 A V H >< S+ 0 0 4 -4,-2.4 3,-2.3 1,-0.2 4,-0.3 0.873 102.2 64.4 -67.2 -37.0 6.5 45.9 53.9 383 380 A V H >< S+ 0 0 7 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.783 86.2 73.7 -59.2 -25.9 3.7 47.9 55.7 384 381 A R T << S+ 0 0 181 -3,-0.7 4,-0.4 -4,-0.5 -1,-0.3 0.662 90.4 60.6 -61.7 -13.5 2.9 49.6 52.4 385 382 A L T <> S+ 0 0 70 -3,-2.3 4,-2.3 -4,-0.2 -1,-0.3 0.623 78.4 88.2 -87.7 -14.1 1.3 46.3 51.4 386 383 A L H <> S+ 0 0 1 -3,-1.8 4,-2.2 -4,-0.3 5,-0.2 0.908 83.8 53.4 -57.1 -46.8 -1.3 46.2 54.1 387 384 A P H > S+ 0 0 43 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.931 110.2 49.1 -54.7 -45.4 -4.0 48.1 52.2 388 385 A G H >4 S+ 0 0 53 -4,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.912 109.7 51.8 -55.8 -45.6 -3.6 45.6 49.3 389 386 A F H 3< S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.847 108.6 51.6 -59.5 -34.1 -3.9 42.7 51.8 390 387 A A H 3< 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.580 360.0 360.0 -84.5 -9.1 -7.1 44.3 53.2 391 388 A S << 0 0 140 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.502 360.0 360.0 -72.6 360.0 -8.7 44.6 49.8