==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-12 3W02 . COMPND 2 MOLECULE: HEPTAPRENYLGLYCERYL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.REN,X.FENG,T.P.KO,C.H.HUANG,Y.HU,H.C.CHAN,Y.L.LIU,K.WANG,C . 454 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 58 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 2 2 0 0 0 2 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 G > 0 0 100 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.6 92.7 8.9 34.6 2 0 A A G > + 0 0 61 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.658 360.0 78.8 -66.6 -15.8 92.0 9.6 38.4 3 1 A M G 3 S+ 0 0 95 1,-0.2 -1,-0.3 5,-0.0 5,-0.0 0.908 94.0 43.1 -56.1 -48.9 94.1 12.6 37.6 4 2 A Y G < S+ 0 0 109 -3,-1.1 2,-0.8 1,-0.1 -1,-0.2 0.029 83.2 106.2 -92.8 25.6 91.2 14.4 35.9 5 3 A D X - 0 0 68 -3,-1.2 3,-3.1 1,-0.1 4,-0.5 -0.767 53.4-162.4-108.8 89.7 88.4 13.6 38.4 6 4 A I G > S+ 0 0 21 -2,-0.8 3,-0.8 1,-0.3 -1,-0.1 0.674 81.8 74.2 -38.8 -26.5 87.8 16.9 40.3 7 5 A K G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.771 97.1 47.6 -68.5 -19.5 86.0 15.0 43.0 8 6 A K G < S+ 0 0 129 -3,-3.1 -1,-0.3 -6,-0.2 -2,-0.2 0.570 85.7 113.9 -93.8 -14.5 89.3 13.7 44.3 9 7 A W < + 0 0 5 -3,-0.8 3,-0.1 -4,-0.5 25,-0.1 -0.357 29.9 166.4 -61.9 130.6 91.1 17.1 44.2 10 8 A R + 0 0 86 1,-0.3 198,-2.9 197,-0.1 2,-0.4 0.682 65.3 29.8-114.6 -27.6 92.1 18.4 47.7 11 9 A H E -a 208 0A 2 196,-0.3 24,-2.5 22,-0.2 25,-0.7 -0.998 56.5-179.0-140.8 137.9 94.5 21.2 46.8 12 10 A I E -ab 209 36A 0 196,-2.0 198,-1.9 -2,-0.4 2,-0.5 -0.999 20.2-141.9-136.0 134.5 94.8 23.5 43.8 13 11 A F E -ab 210 37A 0 23,-2.2 25,-3.7 -2,-0.4 2,-0.6 -0.881 19.2-153.6 -98.2 129.2 97.5 26.2 43.3 14 12 A K E - b 0 38A 35 196,-2.8 2,-0.3 -2,-0.5 25,-0.2 -0.925 5.1-157.2-112.1 109.5 96.0 29.3 41.6 15 13 A L E - b 0 39A 0 23,-2.3 25,-2.5 -2,-0.6 197,-0.1 -0.646 12.0-143.4 -88.0 134.8 98.4 31.5 39.6 16 14 A D > - 0 0 43 -2,-0.3 3,-2.1 23,-0.2 25,-0.1 -0.862 12.9-154.4 -92.9 109.3 97.6 35.2 38.9 17 15 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.671 89.0 65.6 -62.2 -11.6 98.9 35.5 35.3 18 16 A A T 3 S+ 0 0 72 2,-0.1 2,-0.3 -3,-0.0 23,-0.0 0.609 93.5 69.5 -84.2 -13.5 99.5 39.2 35.9 19 17 A K S < S- 0 0 81 -3,-2.1 2,-0.4 1,-0.0 -4,-0.0 -0.694 90.5-103.8-102.5 159.4 102.2 38.6 38.5 20 18 A H - 0 0 159 -2,-0.3 2,-0.5 195,-0.1 -2,-0.1 -0.677 31.3-174.7 -86.6 126.3 105.7 37.2 37.9 21 19 A I - 0 0 13 -2,-0.4 194,-0.1 -4,-0.1 2,-0.0 -0.986 23.0-130.2-118.8 132.7 106.5 33.7 38.8 22 20 A S > - 0 0 27 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.350 22.3-114.6 -71.9 163.1 110.1 32.5 38.4 23 21 A D H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.652 116.1 51.3 -74.0 -13.1 110.8 29.3 36.5 24 22 A D H > S+ 0 0 128 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.813 110.7 46.0 -93.4 -32.4 112.1 27.7 39.6 25 23 A D H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.902 112.7 51.4 -73.7 -39.5 109.1 28.6 41.6 26 24 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.949 110.8 48.3 -60.1 -47.5 106.8 27.4 38.9 27 25 A D H X S+ 0 0 63 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.896 107.4 58.2 -57.9 -42.1 108.7 24.1 38.7 28 26 A A H X S+ 0 0 27 -4,-1.8 4,-0.9 2,-0.2 3,-0.4 0.951 112.8 36.4 -52.4 -57.4 108.4 23.9 42.5 29 27 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 5,-0.3 0.929 114.6 55.1 -67.7 -44.5 104.6 24.0 42.5 30 28 A C H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 111.0 47.1 -61.1 -19.3 104.1 22.0 39.4 31 29 A M H 3< S+ 0 0 124 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.691 97.7 98.1 -93.7 -16.3 106.2 19.3 40.9 32 30 A S S << S- 0 0 25 -3,-1.0 -3,-0.1 -4,-0.9 190,-0.0 0.234 92.4 -97.7 -62.1-176.3 104.3 19.3 44.2 33 31 A Q S S+ 0 0 137 189,-0.2 -22,-0.2 3,-0.0 -1,-0.1 0.426 77.7 131.2 -84.6 -2.9 101.6 17.1 45.4 34 32 A T - 0 0 10 -5,-0.3 -22,-0.2 1,-0.1 3,-0.1 -0.117 59.2-135.9 -50.2 151.3 99.0 19.7 44.4 35 33 A D S S- 0 0 50 -24,-2.5 2,-0.3 1,-0.3 -23,-0.2 0.733 75.7 -8.3 -85.5 -26.8 96.1 18.3 42.3 36 34 A A E -b 12 0A 0 -25,-0.7 -23,-2.2 26,-0.1 2,-0.5 -0.969 57.4-124.3-168.1 154.9 96.0 21.0 39.7 37 35 A I E -bc 13 64A 0 26,-2.0 28,-2.7 -2,-0.3 2,-0.5 -0.893 29.5-160.0-103.5 131.7 97.3 24.4 38.7 38 36 A M E -bc 14 65A 0 -25,-3.7 -23,-2.3 -2,-0.5 2,-0.5 -0.968 7.2-150.8-118.2 129.3 94.6 27.0 38.1 39 37 A I E +bc 15 66A 0 26,-2.8 28,-2.5 -2,-0.5 -23,-0.2 -0.849 37.7 139.8 -97.0 129.6 95.1 30.2 36.2 40 38 A G + 0 0 0 -25,-2.5 29,-0.1 -2,-0.5 3,-0.1 0.193 24.3 166.1-130.8-109.5 92.9 32.9 37.3 41 39 A G - 0 0 14 1,-0.1 2,-1.5 -25,-0.1 28,-0.2 0.946 46.9-125.0 73.9 85.0 93.2 36.5 37.9 42 40 A T S S+ 0 0 41 27,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.230 84.1 42.3 -46.0 11.0 89.6 37.8 38.2 43 41 A D S S- 0 0 63 -2,-1.5 2,-0.6 -3,-0.1 27,-0.2 -0.745 107.9 -8.0-143.9-170.0 90.1 40.3 35.4 44 42 A D - 0 0 113 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 0.070 62.8-150.5 -28.3 72.4 91.5 41.2 31.9 45 43 A V - 0 0 12 -2,-0.6 2,-1.1 -4,-0.1 3,-0.1 -0.339 13.3-132.7 -55.2 128.1 93.5 38.0 31.4 46 44 A T >> - 0 0 79 1,-0.2 4,-1.7 -3,-0.1 3,-1.0 -0.813 10.3-149.2 -89.9 93.6 96.4 39.2 29.2 47 45 A E H 3> S+ 0 0 107 -2,-1.1 4,-1.9 1,-0.3 5,-0.3 0.814 91.1 64.3 -32.5 -43.8 96.4 36.5 26.5 48 46 A D H 3> S+ 0 0 139 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.945 107.9 32.4 -53.9 -58.5 100.1 37.1 26.2 49 47 A N H <> S+ 0 0 58 -3,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.800 112.8 62.4 -73.7 -25.3 101.3 36.0 29.7 50 48 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.898 106.9 45.1 -60.1 -44.2 98.6 33.3 30.1 51 49 A I H X S+ 0 0 76 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.851 110.6 54.3 -70.3 -30.1 99.9 31.5 27.1 52 50 A H H X S+ 0 0 99 -4,-1.2 4,-1.7 -5,-0.3 -2,-0.2 0.965 111.6 45.4 -65.6 -47.8 103.4 31.9 28.5 53 51 A L H X S+ 0 0 4 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.908 112.3 48.9 -60.6 -48.2 102.4 30.4 31.7 54 52 A M H X S+ 0 0 24 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.877 105.3 59.5 -66.1 -30.9 100.5 27.5 30.2 55 53 A S H < S+ 0 0 61 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.931 111.5 40.7 -59.3 -43.6 103.4 26.7 27.9 56 54 A K H >< S+ 0 0 26 -4,-1.7 3,-1.8 1,-0.2 4,-0.3 0.953 113.7 53.5 -70.7 -43.2 105.6 26.2 30.9 57 55 A I H >< S+ 0 0 1 -4,-3.0 3,-1.6 1,-0.3 5,-0.3 0.813 97.5 64.7 -63.4 -28.9 102.9 24.4 32.8 58 56 A R T 3< S+ 0 0 93 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 85.6 72.9 -71.8 -8.4 102.3 21.8 30.1 59 57 A R T < S+ 0 0 191 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.720 94.7 64.2 -76.3 -17.8 105.8 20.5 30.5 60 58 A Y S < S- 0 0 42 -3,-1.6 2,-0.9 -4,-0.3 -29,-0.1 -0.627 91.0-120.4 -99.2 162.9 104.5 18.9 33.7 61 59 A P + 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.626 69.2 104.6-102.1 72.7 101.8 16.3 33.9 62 60 A L S S- 0 0 18 -2,-0.9 -26,-0.1 -5,-0.3 -25,-0.1 -0.984 78.2 -83.3-151.7 143.7 99.1 17.7 36.0 63 61 A P - 0 0 3 0, 0.0 -26,-2.0 0, 0.0 2,-0.6 -0.129 37.9-157.7 -46.0 129.1 95.7 19.2 35.2 64 62 A L E -c 37 0A 0 -28,-0.2 15,-3.0 13,-0.1 16,-0.8 -0.959 15.7-175.0-113.1 118.4 95.8 22.8 34.1 65 63 A V E -cd 38 80A 0 -28,-2.7 -26,-2.8 -2,-0.6 2,-0.4 -0.832 16.6-142.2-118.0 154.9 92.5 24.6 34.6 66 64 A L E -cd 39 81A 0 14,-2.3 16,-3.0 -2,-0.3 2,-1.0 -0.939 5.4-149.1-114.3 135.4 91.2 28.1 33.7 67 65 A E E - d 0 82A 4 -28,-2.5 2,-0.2 -2,-0.4 16,-0.1 -0.816 23.4-146.7-100.9 93.8 89.0 30.2 35.9 68 66 A I + 0 0 23 -2,-1.0 3,-0.1 14,-0.5 -26,-0.1 -0.396 30.2 163.6 -61.4 125.4 87.0 32.2 33.4 69 67 A S + 0 0 34 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.791 64.0 11.0-106.8 -49.6 86.1 35.7 34.6 70 68 A N S >> S- 0 0 22 -27,-0.2 3,-2.9 28,-0.1 4,-0.6 -0.962 80.5-100.6-136.4 150.7 85.2 37.6 31.5 71 69 A I T 34 S+ 0 0 49 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 0.632 119.3 66.1 -37.2 -22.7 84.4 36.8 27.8 72 70 A E T 34 S+ 0 0 123 1,-0.2 -1,-0.3 3,-0.0 -25,-0.1 0.855 92.6 58.5 -71.9 -39.4 88.0 38.0 27.2 73 71 A S T <4 S+ 0 0 0 -3,-2.9 -1,-0.2 -27,-0.0 -2,-0.2 0.711 73.0 118.1 -64.0 -29.5 89.7 35.1 29.2 74 72 A V < + 0 0 29 -4,-0.6 7,-0.0 -3,-0.1 -3,-0.0 -0.226 35.8 153.2 -49.8 109.4 88.2 32.4 27.1 75 73 A M > - 0 0 15 -2,-0.1 3,-0.5 -28,-0.0 -9,-0.0 -0.997 40.0-117.1-142.5 143.2 91.1 30.4 25.4 76 74 A P T 3 S+ 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.021 81.4 63.6 -62.4 170.9 91.4 26.9 24.2 77 75 A G T 3 + 0 0 46 1,-0.3 -13,-0.1 2,-0.0 2,-0.1 0.267 66.2 119.7 99.9 -16.7 93.9 24.5 25.6 78 76 A F < - 0 0 8 -3,-0.5 -1,-0.3 1,-0.1 -13,-0.2 -0.386 60.3-135.3 -84.1 166.4 92.9 24.0 29.1 79 77 A D S S+ 0 0 34 -15,-3.0 2,-0.3 1,-0.3 -14,-0.2 0.817 90.5 5.9 -83.2 -31.4 91.9 20.7 30.8 80 78 A F E -d 65 0A 22 -16,-0.8 -14,-2.3 2,-0.0 2,-0.5 -0.981 63.3-147.3-147.7 147.8 88.9 22.2 32.6 81 79 A Y E -de 66 115A 24 33,-2.1 35,-1.6 -2,-0.3 2,-0.8 -0.984 13.0-152.4-117.0 130.1 87.2 25.7 32.5 82 80 A F E -de 67 116A 0 -16,-3.0 -14,-0.5 -2,-0.5 35,-0.2 -0.904 12.7-166.8-107.0 105.4 85.7 26.8 35.8 83 81 A V E - e 0 117A 17 33,-2.5 35,-3.2 -2,-0.8 2,-0.2 -0.814 7.4-153.3 -96.1 116.2 82.8 29.1 35.1 84 82 A P E - e 0 118A 30 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.527 13.7-163.0 -90.5 154.4 81.5 31.0 38.1 85 83 A T E - e 0 119A 2 33,-1.8 35,-2.6 -2,-0.2 2,-1.7 -0.990 25.1-135.1-130.8 118.1 78.1 32.4 38.6 86 84 A V E > - e 0 120A 7 8,-3.3 3,-2.5 -2,-0.4 5,-0.2 -0.615 22.0-172.9 -85.1 85.1 78.3 35.0 41.4 87 85 A L T 3 S+ 0 0 1 -2,-1.7 -1,-0.2 33,-1.3 34,-0.2 0.724 82.4 44.4 -46.0 -38.3 75.3 34.0 43.5 88 86 A N T 3 S+ 0 0 2 32,-0.6 48,-3.0 -3,-0.1 -1,-0.3 0.047 88.5 112.6-102.7 27.2 75.6 36.9 45.8 89 87 A S B < -I 135 0B 2 -3,-2.5 46,-0.2 46,-0.3 45,-0.2 -0.731 59.5-147.6 -93.3 148.0 76.2 39.5 43.0 90 88 A T S S+ 0 0 79 44,-1.4 2,-0.5 43,-0.7 229,-0.4 0.352 74.5 82.8 -99.6 8.9 73.5 42.1 42.4 91 89 A D S > S- 0 0 46 42,-0.5 3,-2.1 -5,-0.2 4,-0.3 -0.950 72.9-141.5-115.3 122.8 74.2 42.4 38.7 92 90 A V G >>>S+ 0 0 17 225,-0.5 5,-2.4 -2,-0.5 4,-1.7 0.735 95.4 76.3 -52.1 -18.2 72.6 39.9 36.3 93 91 A A G 34>S+ 0 0 30 1,-0.3 5,-2.6 4,-0.2 6,-0.4 0.830 97.1 41.6 -64.1 -34.2 75.9 40.1 34.3 94 92 A F G <45S+ 0 0 37 -3,-2.1 -8,-3.3 3,-0.2 -1,-0.3 0.280 111.7 59.6 -96.7 7.8 77.8 37.9 36.8 95 93 A H T <45S- 0 0 4 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.823 140.6 -43.2 -94.4 -72.7 74.9 35.6 37.2 96 94 A N T X5S+ 0 0 2 -4,-1.7 4,-2.0 218,-0.1 -3,-0.2 0.342 114.3 98.3-140.6 2.9 74.4 34.4 33.6 97 95 A G H >> S+ 0 0 19 -6,-0.4 4,-2.5 1,-0.3 5,-0.2 0.833 100.7 58.8 -50.0 -38.9 78.1 33.6 30.1 100 98 A L H 3X S+ 0 0 13 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.919 108.3 45.1 -60.1 -41.7 75.2 34.1 27.7 101 99 A E H < S+ 0 0 89 -4,-3.1 3,-1.9 -5,-0.2 4,-0.2 0.334 90.5 109.4-112.4 5.1 81.7 29.8 21.2 107 105 A G G >< S+ 0 0 6 -4,-2.1 3,-1.5 -5,-0.3 -3,-0.1 0.887 70.1 66.1 -47.5 -49.7 78.6 27.8 21.9 108 106 A H G 3 S+ 0 0 147 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.664 115.3 23.5 -46.7 -26.3 78.9 26.0 18.6 109 107 A S G < S+ 0 0 100 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.097 84.8 122.4-137.8 27.4 82.1 24.2 19.6 110 108 A I < - 0 0 55 -3,-1.5 2,-0.9 -4,-0.2 3,-0.0 -0.633 54.2-139.1 -89.7 151.8 82.5 23.9 23.3 111 109 A D > - 0 0 68 -2,-0.2 3,-2.9 1,-0.1 4,-0.4 -0.848 15.0-164.6-108.4 92.0 82.9 20.5 24.9 112 110 A F G > S+ 0 0 18 -2,-0.9 3,-0.6 1,-0.3 -1,-0.1 0.586 79.4 76.6 -56.9 -7.8 80.7 21.0 27.9 113 111 A E G 3 S+ 0 0 162 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.797 99.3 43.9 -72.6 -26.7 82.2 17.9 29.4 114 112 A E G < S+ 0 0 67 -3,-2.9 -33,-2.1 -34,-0.1 2,-0.3 0.477 97.1 90.5 -97.7 1.9 85.2 20.0 30.2 115 113 A V E < -e 81 0A 15 -3,-0.6 2,-0.4 -4,-0.4 -33,-0.2 -0.694 57.4-164.8 -93.8 147.8 83.2 23.1 31.5 116 114 A I E -e 82 0A 22 -35,-1.6 -33,-2.5 -2,-0.3 2,-0.5 -0.959 9.4-148.1-138.2 119.7 82.3 23.3 35.2 117 115 A F E -e 83 0A 5 -2,-0.4 42,-0.8 264,-0.3 2,-0.5 -0.735 19.2-160.1 -90.3 122.0 79.7 25.7 36.5 118 116 A E E -ef 84 159A 0 -35,-3.2 -33,-1.8 -2,-0.5 2,-1.2 -0.877 22.5-133.6-113.6 134.1 80.5 26.9 40.0 119 117 A G E -ef 85 160A 0 40,-3.1 42,-3.2 -2,-0.5 2,-0.5 -0.692 38.1-164.0 -78.2 104.7 78.2 28.5 42.6 120 118 A Y E -ef 86 161A 7 -35,-2.6 -33,-1.3 -2,-1.2 -32,-0.6 -0.802 13.4-172.3 -99.2 128.9 80.6 31.3 43.5 121 119 A V E - f 0 162A 0 40,-2.7 42,-2.1 -2,-0.5 2,-0.5 -0.961 14.3-148.0-127.4 115.0 80.0 33.3 46.6 122 120 A V E + f 0 163A 0 -2,-0.5 42,-0.2 40,-0.2 40,-0.1 -0.700 22.5 170.6 -80.0 117.1 82.1 36.4 47.3 123 121 A C + 0 0 16 40,-2.0 2,-0.6 -2,-0.5 41,-0.1 0.176 47.9 87.6-115.3 10.4 82.7 36.8 51.0 124 122 A N > - 0 0 12 39,-0.4 3,-0.6 1,-0.1 6,-0.2 -0.910 57.4-160.2-117.8 104.9 85.3 39.6 51.4 125 123 A A T 3 S+ 0 0 49 -2,-0.6 2,-0.5 1,-0.3 -1,-0.1 0.765 86.0 52.6 -53.6 -26.9 83.7 43.0 51.5 126 124 A D T 3 S+ 0 0 145 -3,-0.1 2,-0.3 39,-0.1 -1,-0.3 -0.485 84.1 111.5-113.2 64.8 86.9 44.7 50.5 127 125 A S S <> S- 0 0 17 -3,-0.6 4,-2.0 -2,-0.5 5,-0.2 -0.876 72.4-121.0-132.2 162.7 88.1 43.0 47.4 128 126 A K H > S+ 0 0 178 -2,-0.3 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364 135 B T + 0 0 33 -2,-1.2 2,-1.3 1,-0.1 -12,-0.2 0.195 48.7 101.0 -84.1 14.1 62.6 40.4 25.6 365 136 B D + 0 0 142 -13,-0.1 2,-0.6 5,-0.0 -1,-0.1 -0.732 52.6 160.3 -95.8 85.2 64.7 41.2 22.6 366 137 B L - 0 0 17 -2,-1.3 2,-0.1 -16,-0.1 -2,-0.0 -0.924 26.3-158.5-116.6 121.9 65.9 37.7 22.0 367 138 B T > - 0 0 54 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.317 38.9-103.2 -82.2 174.6 67.3 36.5 18.8 368 139 B T H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.954 126.4 54.5 -63.3 -42.2 67.3 32.9 17.8 369 140 B E H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 107.1 50.4 -54.0 -48.0 71.0 32.9 18.7 370 141 B D H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.952 111.2 48.1 -54.2 -51.5 70.1 34.3 22.1 371 142 B L H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.921 111.2 51.1 -60.4 -39.2 67.5 31.6 22.7 372 143 B E H X S+ 0 0 57 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.888 109.5 49.4 -64.9 -37.6 70.0 28.9 21.6 373 144 B A H X S+ 0 0 3 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.953 110.7 51.1 -65.5 -45.9 72.6 30.2 24.0 374 145 B Y H X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.922 109.6 50.6 -55.7 -45.9 70.0 30.2 26.7 375 146 B A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.953 111.5 47.2 -54.4 -56.1 69.1 26.6 25.8 376 147 B Q H X>S+ 0 0 17 -4,-2.6 4,-3.2 1,-0.2 5,-0.8 0.895 110.4 53.3 -50.2 -48.4 72.8 25.6 25.9 377 148 B M H X>S+ 0 0 0 -4,-3.0 5,-2.4 3,-0.2 4,-0.9 0.909 115.4 39.5 -55.8 -47.4 73.1 27.4 29.3 378 149 B V H <>S+ 0 0 0 -4,-2.7 5,-1.4 3,-0.2 6,-1.3 0.948 120.0 45.0 -67.8 -50.0 70.2 25.5 30.8 379 150 B N H <5S+ 0 0 5 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.886 130.4 16.4 -63.3 -44.1 71.0 22.2 29.2 380 151 B H H <5S+ 0 0 45 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.807 130.7 34.3-103.6 -38.9 74.7 22.0 29.8 381 152 B M T < - 0 0 19 25,-3.7 3,-1.8 -2,-0.7 26,-0.2 0.289 38.6-136.5 -91.5 14.7 55.0 33.2 25.4 392 163 B S T 3 - 0 0 24 1,-0.3 25,-0.1 24,-0.2 -39,-0.1 0.844 68.7 -28.6 33.8 81.1 52.6 34.7 27.9 393 164 B G T 3 S+ 0 0 40 1,-0.1 2,-0.3 -39,-0.0 -1,-0.3 0.210 119.4 84.1 78.3 -20.7 49.2 34.5 26.2 394 165 B I S < S- 0 0 84 -3,-1.8 2,-0.7 22,-0.1 25,-0.2 -0.906 85.8-103.7-121.4 153.8 50.1 34.6 22.6 395 166 B Y - 0 0 51 -2,-0.3 23,-0.2 23,-0.3 3,-0.1 -0.614 48.3-144.8 -73.3 111.4 51.3 31.9 20.3 396 167 B G - 0 0 8 -2,-0.7 2,-1.0 21,-0.6 -1,-0.1 0.012 30.1 -62.2 -74.8-179.1 55.0 32.3 19.9 397 168 B D >> - 0 0 67 1,-0.2 4,-1.9 2,-0.0 3,-1.1 -0.463 40.4-160.7 -64.3 89.6 57.5 31.8 17.1 398 169 B V H 3> S+ 0 0 36 -2,-1.0 4,-2.5 1,-0.3 -1,-0.2 0.780 88.5 56.4 -43.8 -38.5 57.5 28.1 16.2 399 170 B S H 3> S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.909 107.9 47.3 -62.8 -44.7 60.9 28.3 14.5 400 171 B K H <> S+ 0 0 41 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.879 111.2 49.6 -65.6 -42.2 62.6 29.7 17.6 401 172 B V H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.955 111.1 51.8 -61.2 -44.4 61.0 27.1 19.9 402 173 B Q H X S+ 0 0 79 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.828 109.3 49.8 -58.4 -34.7 62.2 24.5 17.3 403 174 B A H X S+ 0 0 13 -4,-1.6 4,-0.8 2,-0.2 3,-0.4 0.948 109.9 50.5 -68.7 -51.2 65.8 26.0 17.6 404 175 B V H >X S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 4,-1.1 0.924 105.4 55.7 -54.3 -45.8 65.7 25.9 21.4 405 176 B S H >< S+ 0 0 22 -4,-2.8 3,-0.8 1,-0.3 -1,-0.3 0.903 95.2 69.6 -55.4 -39.2 64.6 22.3 21.3 406 177 B E H 3< S+ 0 0 122 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.827 104.6 39.8 -44.0 -42.5 67.7 21.5 19.2 407 178 B H H << S+ 0 0 50 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.3 0.695 95.5 87.5 -86.2 -22.3 70.0 22.2 22.1 408 179 B L << + 0 0 17 -4,-1.1 5,-0.1 -3,-0.8 -32,-0.1 -0.617 39.8 141.4 -80.2 136.1 68.0 20.6 25.0 409 180 B T S S+ 0 0 98 -2,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.346 79.2 26.5-134.4 -72.7 68.8 16.9 25.4 410 181 B E S S+ 0 0 123 -31,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.817 114.2 78.6 -65.0 -27.5 68.9 16.0 29.0 411 182 B T S S- 0 0 4 -25,-0.1 2,-0.3 1,-0.0 -25,-0.2 -0.658 82.1-124.3 -88.6 135.3 66.5 19.0 29.8 412 183 B Q E -p 386 0C 20 -27,-2.7 -25,-2.6 -2,-0.3 2,-0.7 -0.589 21.1-134.7 -78.8 130.5 62.7 18.8 29.2 413 184 B L E -p 387 0C 1 -2,-0.3 21,-2.2 -27,-0.2 20,-1.9 -0.784 20.9-171.1 -90.3 114.6 61.3 21.5 27.0 414 185 B F E -pq 388 434C 0 -27,-2.9 -25,-3.2 -2,-0.7 2,-0.4 -0.863 5.1-169.4-102.0 133.0 58.0 23.1 28.4 415 186 B Y E +pq 389 435C 0 19,-2.4 21,-3.3 -2,-0.4 2,-0.3 -0.977 10.7 167.2-127.4 140.1 56.2 25.5 26.1 416 187 B G E +pq 390 436C 2 -27,-2.1 -25,-3.7 -2,-0.4 -24,-0.2 -0.996 25.8 94.0-151.6 142.2 53.3 27.7 26.9 417 188 B G S S- 0 0 8 19,-0.7 -21,-0.6 -2,-0.3 -25,-0.1 0.127 86.2 -8.0 135.9 106.4 51.6 30.6 25.2 418 189 B G + 0 0 24 1,-0.2 2,-0.3 -23,-0.2 -23,-0.3 0.356 65.9 153.6 75.8 -2.4 48.6 30.7 22.9 419 190 B I + 0 0 8 17,-0.3 21,-0.4 1,-0.2 19,-0.3 -0.483 10.8 143.3 -65.6 124.6 47.7 27.1 22.3 420 191 B S + 0 0 39 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.134 51.9 54.7-146.9 18.6 43.9 27.2 21.6 421 192 B S S > S- 0 0 33 1,-0.1 4,-2.8 27,-0.1 5,-0.4 -0.996 79.2-118.3-154.4 147.6 43.4 24.6 18.9 422 193 B E H > S+ 0 0 96 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.843 118.2 58.8 -54.3 -26.6 44.1 20.9 18.4 423 194 B Q H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 110.4 37.4 -67.7 -49.9 46.1 22.2 15.5 424 195 B Q H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.837 113.9 55.0 -70.4 -37.1 48.4 24.4 17.6 425 196 B A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.972 112.7 46.3 -60.7 -47.1 48.6 22.0 20.5 426 197 B T H < S+ 0 0 20 -4,-2.0 4,-0.3 -5,-0.4 -2,-0.2 0.867 108.9 51.8 -63.3 -42.2 49.7 19.5 17.9 427 198 B E H >X S+ 0 0 70 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.967 119.0 37.1 -57.1 -54.7 52.3 21.7 16.2 428 199 B M H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 3,-1.1 0.881 107.2 60.9 -68.4 -44.7 54.0 22.6 19.4 429 200 B A H 3< S+ 0 0 4 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.538 102.1 59.6 -64.1 -0.2 53.7 19.3 21.2 430 201 B A H <4 S+ 0 0 79 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.777 115.9 29.9 -92.6 -36.9 55.8 18.1 18.3 431 202 B I H << S+ 0 0 21 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.1 0.925 120.8 50.4 -86.5 -56.6 58.6 20.4 19.0 432 203 B A S < S- 0 0 4 -4,-2.8 -18,-0.2 1,-0.1 3,-0.1 -0.368 75.4-132.6 -81.7 165.5 58.4 20.8 22.8 433 204 B D S S+ 0 0 56 -20,-1.9 2,-0.4 1,-0.3 -19,-0.2 0.758 92.3 20.0 -84.3 -38.9 58.1 17.9 25.3 434 205 B T E - q 0 414C 0 -21,-2.2 -19,-2.4 -6,-0.1 2,-0.4 -0.989 68.8-154.7-138.7 128.2 55.3 19.3 27.3 435 206 B I E -jq 238 415C 0 -198,-2.8 -196,-2.1 -2,-0.4 2,-0.6 -0.859 10.8-148.5-101.0 141.1 52.8 21.9 26.2 436 207 B I E -jq 239 416C 7 -21,-3.3 -19,-0.7 -2,-0.4 2,-0.5 -0.933 12.6-165.6-111.2 113.2 51.1 24.0 28.9 437 208 B V E +j 240 0C 1 -198,-2.5 -196,-3.4 -2,-0.6 -17,-0.1 -0.835 27.1 135.7-102.9 129.9 47.6 25.1 28.0 438 209 B G > + 0 0 18 -2,-0.5 3,-2.4 -19,-0.3 4,-0.5 0.550 54.3 50.6-131.3 -77.3 45.9 27.9 30.0 439 210 B D G > S+ 0 0 71 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.755 101.7 62.0 -45.7 -37.9 43.9 30.8 28.7 440 211 B I G >> S+ 0 0 16 -21,-0.4 4,-2.8 1,-0.2 3,-0.9 0.744 89.2 72.2 -68.0 -17.4 41.6 28.8 26.4 441 212 B I G <4 S+ 0 0 1 -3,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.862 102.5 42.8 -63.0 -34.4 40.2 26.9 29.4 442 213 B Y G <4 S+ 0 0 50 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.481 121.4 39.8 -90.9 -2.6 38.4 30.1 30.4 443 214 B K T <4 S+ 0 0 161 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.758 130.6 5.8-115.3 -34.2 37.2 31.0 26.9 444 215 B D >X - 0 0 64 -4,-2.8 4,-2.5 -5,-0.1 3,-1.7 -0.500 55.9-173.5-153.6 76.4 36.2 27.8 25.1 445 216 B I H 3> S+ 0 0 36 -4,-0.3 4,-2.1 1,-0.3 5,-0.1 0.775 88.2 57.1 -42.0 -33.4 36.2 24.7 27.3 446 217 B K H 34 S+ 0 0 155 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.884 109.5 41.9 -69.8 -39.1 35.5 22.7 24.2 447 218 B K H X> S+ 0 0 106 -3,-1.7 3,-2.0 -7,-0.2 4,-0.7 0.919 110.9 58.8 -72.6 -42.5 38.5 23.9 22.3 448 219 B A H >< S+ 0 0 0 -4,-2.5 3,-1.6 -8,-0.4 4,-0.3 0.914 101.5 52.3 -52.6 -47.3 40.6 23.6 25.4 449 220 B L T 3< S+ 0 0 55 -4,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.613 100.8 66.4 -68.4 -4.7 39.8 19.9 25.7 450 221 B K T X4 S+ 0 0 105 -3,-2.0 3,-1.0 1,-0.2 -1,-0.3 0.708 85.3 71.2 -84.7 -22.4 41.0 19.6 22.1 451 222 B T T << S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.611 89.8 58.6 -70.6 -12.6 44.5 20.5 23.1 452 223 B V T 3 S+ 0 0 15 -3,-0.5 2,-1.7 -4,-0.3 -1,-0.2 0.573 82.9 84.2 -93.0 -7.9 45.1 17.2 24.8 453 224 B K < + 0 0 120 -3,-1.0 2,-0.3 1,-0.1 -1,-0.2 -0.517 55.2 150.7 -89.7 66.3 44.4 15.3 21.7 454 225 B I 0 0 24 -2,-1.7 -1,-0.1 -29,-0.1 -3,-0.1 -0.252 360.0 360.0 -97.0 45.1 48.0 15.9 20.5 455 226 B K 0 0 221 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.1 0.216 360.0 360.0 68.2 360.0 48.4 12.7 18.4