==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-10 3OZA . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR C.D.SMITH,D.CHATTOPADHYAY,B.PAL . 1256 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 883 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 5.0 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 103 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.6 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 14 2 2 4 4 5 6 3 2 2 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 8 10 7 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 . 3 3 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 3 0 3 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 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 H 0 0 115 0, 0.0 2,-0.6 0, 0.0 202,-0.1 0.000 360.0 360.0 360.0 144.1 22.4 62.6 20.9 2 0 A H + 0 0 78 1,-0.1 201,-0.0 2,-0.1 197,-0.0 -0.089 360.0 107.4 81.1 -30.7 22.0 63.8 17.3 3 1 A H + 0 0 51 -2,-0.6 2,-0.4 3,-0.0 -1,-0.1 0.615 53.6 89.6 -59.8 -22.3 23.5 60.7 15.5 4 2 A L S S- 0 0 18 2,-0.1 -2,-0.1 198,-0.1 198,-0.0 -0.676 96.3 -5.3 -86.5 127.0 20.2 59.3 14.0 5 3 A G S S+ 0 0 11 -2,-0.4 3,-0.1 1,-0.1 191,-0.1 -0.086 91.5 92.8 70.3 175.7 19.4 60.7 10.6 6 4 A N S S+ 0 0 146 1,-0.3 2,-0.1 0, 0.0 -1,-0.1 0.606 70.5 126.8 67.7 14.0 21.5 63.4 9.0 7 5 A K - 0 0 25 1,-0.1 -1,-0.3 185,-0.1 410,-0.2 -0.441 66.0 -88.7 -92.1 172.6 23.3 60.4 7.4 8 6 A L - 0 0 44 408,-1.9 179,-2.2 177,-0.3 2,-0.3 -0.384 42.6-178.9 -85.8 159.9 24.0 59.9 3.7 9 7 A S B -a 187 0A 10 2,-0.6 179,-0.2 177,-0.3 180,-0.1 -0.932 46.4-101.1-148.5 169.4 21.8 58.1 1.1 10 8 A I S > S+ 0 0 2 177,-1.7 3,-0.8 -2,-0.3 178,-0.1 0.924 107.4 83.9 -60.4 -43.6 21.6 57.1 -2.5 11 9 A S T 3 S+ 0 0 34 1,-0.3 -2,-0.6 176,-0.2 176,-0.1 -0.418 99.3 21.8 -52.6 130.4 19.4 60.2 -2.8 12 10 A D T 3 S+ 0 0 153 1,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.927 90.2 135.9 63.6 48.0 21.9 63.1 -3.2 13 11 A L < - 0 0 31 -3,-0.8 3,-0.2 -5,-0.1 -1,-0.2 -0.913 33.7-167.9-123.9 104.9 24.8 60.9 -4.5 14 12 A K + 0 0 174 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.287 64.4 34.5 -73.2 169.0 26.7 62.3 -7.5 15 13 A D + 0 0 126 1,-0.1 -1,-0.2 -2,-0.0 41,-0.1 0.879 63.6 131.5 54.2 56.2 29.2 60.2 -9.5 16 14 A I > + 0 0 4 39,-0.3 3,-1.6 -3,-0.2 41,-0.7 0.596 39.3 115.6-102.9 -23.7 27.6 56.7 -9.3 17 15 A K T 3 S+ 0 0 149 1,-0.3 39,-0.2 39,-0.2 35,-0.0 -0.229 85.3 4.7 -49.0 127.3 28.1 56.4 -13.1 18 16 A N T 3 S+ 0 0 99 1,-0.2 2,-0.3 96,-0.1 -1,-0.3 0.690 100.9 128.5 67.3 27.6 30.5 53.5 -14.0 19 17 A K < - 0 0 71 -3,-1.6 40,-0.9 40,-0.0 2,-0.6 -0.847 62.8-121.4-118.0 147.8 31.0 52.3 -10.4 20 18 A K E -b 59 0A 34 -2,-0.3 140,-2.8 38,-0.2 141,-2.1 -0.771 35.1-160.6 -83.2 118.8 30.8 48.9 -8.8 21 19 A V E -bc 60 161A 0 38,-2.8 40,-2.3 -2,-0.6 2,-0.6 -0.921 9.3-155.0-113.1 124.9 28.2 49.2 -6.1 22 20 A L E -bc 61 162A 0 139,-3.1 141,-3.1 -2,-0.5 2,-0.5 -0.872 13.4-167.1-100.0 118.7 27.9 46.8 -3.2 23 21 A V E -bc 62 163A 0 38,-2.8 40,-2.7 -2,-0.6 2,-0.8 -0.930 13.2-152.6-114.2 122.6 24.4 46.7 -1.7 24 22 A R E -bc 63 164A 0 139,-2.6 141,-2.4 -2,-0.5 2,-0.3 -0.853 30.6-178.8 -91.8 110.9 23.6 45.0 1.6 25 23 A V - 0 0 0 38,-2.2 2,-0.9 -2,-0.8 40,-0.4 -0.721 34.6-118.9-115.5 160.2 20.0 43.9 1.4 26 24 A D + 0 0 34 139,-0.4 19,-0.1 -2,-0.3 38,-0.1 -0.835 44.9 151.2 -97.8 96.3 17.4 42.2 3.6 27 25 A F + 0 0 0 -2,-0.9 2,-1.7 38,-0.5 -1,-0.1 0.041 19.5 134.5-111.9 22.8 16.5 39.0 1.7 28 26 A N + 0 0 40 38,-0.1 38,-0.1 13,-0.1 13,-0.1 -0.561 40.2 162.8 -74.9 88.2 15.6 37.0 4.8 29 27 A V - 0 0 7 -2,-1.7 2,-0.2 11,-0.0 10,-0.1 -0.821 44.4-100.1-125.0 144.4 12.5 35.7 3.2 30 28 A P + 0 0 47 0, 0.0 7,-1.6 0, 0.0 8,-0.6 -0.424 47.2 178.0 -68.0 134.9 10.0 32.8 3.8 31 29 A I E -G 36 0B 23 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.984 24.2-174.7-143.9 145.8 10.5 29.8 1.5 32 30 A E E > S-G 35 0B 85 3,-1.4 3,-2.2 -2,-0.3 522,-0.0 -0.970 79.3 -20.3-139.2 126.4 9.2 26.2 0.8 33 31 A N T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 43,-0.0 0.796 127.3 -49.5 44.8 42.6 10.8 23.9 -1.8 34 32 A G T 3 S+ 0 0 43 1,-0.2 2,-0.6 42,-0.1 -1,-0.3 0.609 114.9 119.3 76.1 12.9 12.6 26.7 -3.6 35 33 A I E < -G 32 0B 107 -3,-2.2 -3,-1.4 2,-0.0 2,-0.4 -0.911 62.3-138.1-117.4 105.0 9.3 28.7 -3.8 36 34 A I E -G 31 0B 20 -2,-0.6 -5,-0.3 45,-0.2 3,-0.2 -0.437 12.9-163.1 -64.8 113.3 9.4 32.1 -2.1 37 35 A K S S+ 0 0 135 -7,-1.6 2,-0.2 -2,-0.4 -1,-0.2 0.398 77.1 26.2 -86.6 3.8 6.1 32.4 -0.3 38 36 A D - 0 0 73 -8,-0.6 3,-0.4 1,-0.0 -1,-0.2 -0.648 58.4-177.9-165.2 108.0 6.2 36.1 0.3 39 37 A T >> + 0 0 52 -3,-0.2 4,-2.3 1,-0.2 3,-1.4 0.383 51.7 109.1 -92.3 2.7 8.2 38.4 -2.0 40 38 A N H 3> S+ 0 0 90 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.846 78.1 52.1 -48.1 -46.4 7.6 41.8 -0.2 41 39 A R H 34 S+ 0 0 101 -3,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.781 112.9 46.2 -63.5 -29.6 11.1 42.1 1.1 42 40 A I H X4 S+ 0 0 0 -3,-1.4 3,-1.0 2,-0.2 4,-0.4 0.903 110.8 49.2 -80.5 -45.7 12.5 41.6 -2.4 43 41 A T H >< S+ 0 0 51 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.782 102.0 67.4 -63.5 -26.8 10.2 44.0 -4.2 44 42 A A T 3< S+ 0 0 31 -4,-1.7 4,-0.3 -5,-0.3 -1,-0.2 0.784 96.6 52.4 -64.7 -31.3 11.1 46.6 -1.5 45 43 A T T X> S+ 0 0 2 -3,-1.0 4,-2.5 -4,-0.4 3,-0.6 0.542 83.7 92.2 -80.8 -9.5 14.7 46.8 -2.8 46 44 A L H <> S+ 0 0 27 -3,-1.1 4,-3.1 -4,-0.4 5,-0.2 0.888 82.1 53.4 -55.8 -44.6 13.6 47.4 -6.4 47 45 A P H 3> S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.871 111.7 46.6 -53.7 -39.1 13.7 51.2 -5.9 48 46 A T H <> S+ 0 0 1 -3,-0.6 4,-2.1 -4,-0.3 -2,-0.2 0.940 115.7 42.8 -72.0 -50.0 17.3 50.9 -4.7 49 47 A I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -3,-0.2 0.939 116.0 50.8 -60.0 -49.2 18.5 48.6 -7.5 50 48 A N H X S+ 0 0 76 -4,-3.1 4,-3.5 -5,-0.2 -2,-0.2 0.917 109.5 47.8 -54.2 -54.7 16.5 50.7 -10.1 51 49 A H H < S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.917 114.9 46.9 -57.3 -44.0 17.9 54.0 -9.1 52 50 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.945 115.1 46.8 -59.0 -50.4 21.4 52.5 -9.1 53 51 A K H >< S+ 0 0 32 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.924 109.9 53.0 -50.4 -54.3 20.7 50.9 -12.5 54 52 A K T 3< S+ 0 0 167 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.230 106.1 57.7 -71.6 12.9 19.3 54.2 -13.9 55 53 A E T < S- 0 0 73 -3,-1.3 2,-0.5 1,-0.2 -39,-0.3 0.457 117.5 -95.4-124.2 -5.2 22.4 56.1 -12.8 56 54 A G < + 0 0 28 -3,-1.4 -39,-0.2 -4,-0.3 -1,-0.2 -0.940 55.5 167.3 126.0-105.5 25.2 54.2 -14.6 57 55 A A - 0 0 1 -41,-0.7 -1,-0.2 -2,-0.5 -37,-0.2 0.900 31.3-147.1 58.5 109.4 26.8 51.6 -12.4 58 56 A S S S+ 0 0 12 -39,-0.5 58,-0.7 1,-0.2 2,-0.3 0.955 83.5 11.1 -62.1 -51.3 29.1 49.0 -13.9 59 57 A K E -bd 20 116A 7 -40,-0.9 -38,-2.8 56,-0.2 2,-0.5 -0.965 54.5-158.9-136.1 142.5 28.0 46.4 -11.4 60 58 A I E -bd 21 117A 0 56,-1.8 58,-3.1 -2,-0.3 2,-0.6 -0.887 21.5-172.7-121.5 96.1 25.3 46.0 -8.8 61 59 A I E -bd 22 118A 0 -40,-2.3 -38,-2.8 -2,-0.5 2,-0.5 -0.820 7.3-155.9 -95.6 121.8 26.5 43.3 -6.4 62 60 A L E -bd 23 119A 0 56,-3.5 58,-2.3 -2,-0.6 2,-0.4 -0.857 10.7-175.3-103.3 127.1 24.0 42.2 -3.8 63 61 A I E +b 24 0A 0 -40,-2.7 -38,-2.2 -2,-0.5 2,-0.3 -0.978 20.2 138.1-121.5 137.1 25.0 40.6 -0.5 64 62 A S - 0 0 0 -2,-0.4 59,-3.1 56,-0.3 2,-0.3 -0.928 37.6-120.6-159.5 178.0 22.5 39.3 2.1 65 63 A H - 0 0 5 -40,-0.4 -38,-0.5 -2,-0.3 2,-0.4 -0.946 9.1-157.3-133.2 157.6 21.6 36.6 4.5 66 64 A C - 0 0 7 -2,-0.3 -38,-0.1 11,-0.2 13,-0.0 -0.980 58.1 -43.6-138.1 117.8 18.7 34.2 4.9 67 65 A G S S- 0 0 8 -2,-0.4 3,-0.1 1,-0.2 57,-0.1 -0.114 89.4 -53.9 62.5-153.1 17.9 32.6 8.2 68 66 A R + 0 0 89 1,-0.1 -1,-0.2 -3,-0.1 57,-0.0 -0.606 56.9 157.8-127.7 71.5 20.4 31.3 10.7 69 67 A P - 0 0 10 0, 0.0 3,-0.3 0, 0.0 65,-0.1 0.652 47.3-135.9 -69.7 -16.9 22.7 28.7 9.0 70 68 A D - 0 0 46 1,-0.2 64,-2.2 -3,-0.1 55,-0.1 0.869 64.4 -45.6 65.6 45.0 25.3 29.4 11.7 71 69 A G S S+ 0 0 10 53,-1.9 56,-0.5 55,-0.2 2,-0.4 0.659 114.0 105.0 77.0 18.6 28.5 29.6 9.6 72 70 A L S S- 0 0 74 52,-0.4 2,-0.3 -3,-0.3 -1,-0.2 -0.997 79.0-109.4-132.5 135.7 27.8 26.5 7.4 73 71 A R + 0 0 154 -2,-0.4 2,-0.4 52,-0.3 5,-0.1 -0.456 48.5 175.2 -52.4 115.0 26.6 26.1 3.8 74 72 A N > - 0 0 57 -2,-0.3 3,-2.3 1,-0.1 -3,-0.0 -0.963 31.3-142.5-139.4 119.5 23.1 24.7 4.5 75 73 A E G > S+ 0 0 152 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.684 95.0 65.4 -60.7 -25.9 20.7 24.1 1.6 76 74 A K G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -43,-0.0 -45,-0.1 0.587 107.4 44.6 -71.4 -9.7 17.5 25.3 3.4 77 75 A Y G < S+ 0 0 20 -3,-2.3 -1,-0.3 -10,-0.1 -11,-0.2 -0.005 79.1 134.3-126.6 27.9 19.0 28.8 3.5 78 76 A T < - 0 0 28 -3,-1.2 -44,-0.1 1,-0.1 4,-0.1 -0.524 49.5-145.2 -77.0 146.5 20.4 29.3 -0.0 79 77 A L S >> S+ 0 0 1 -2,-0.2 3,-1.3 1,-0.2 4,-1.3 0.345 72.1 104.7 -94.2 5.6 19.6 32.6 -1.8 80 78 A K H 3> S+ 0 0 101 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.888 74.3 55.8 -52.4 -49.1 19.4 31.0 -5.3 81 79 A P H 3> S+ 0 0 17 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.658 102.2 59.8 -63.9 -14.5 15.6 31.1 -5.5 82 80 A V H X> S+ 0 0 2 -3,-1.3 4,-3.1 2,-0.2 3,-0.7 0.935 100.0 52.7 -75.0 -49.5 15.8 34.9 -4.8 83 81 A A H 3X S+ 0 0 1 -4,-1.3 4,-1.8 1,-0.3 -1,-0.1 0.882 108.0 53.9 -48.5 -43.0 17.9 35.4 -8.0 84 82 A E H 3X S+ 0 0 99 -4,-1.6 4,-1.0 2,-0.2 -1,-0.3 0.826 110.6 46.0 -60.0 -35.6 15.1 33.6 -9.8 85 83 A T H S+ 0 0 54 -4,-1.8 4,-1.6 -5,-0.3 5,-0.6 0.927 106.8 46.2 -59.1 -44.8 15.0 38.0 -12.8 88 86 A G H <5S+ 0 0 71 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.783 116.2 45.3 -65.6 -30.3 11.2 38.2 -12.9 89 87 A L H <5S+ 0 0 65 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.770 121.7 33.7 -89.1 -30.9 11.1 41.6 -11.2 90 88 A L H <5S- 0 0 30 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.573 98.5-132.7 -99.0 -16.7 13.9 43.3 -13.2 91 89 A G T <5S+ 0 0 70 -4,-1.6 2,-0.2 -5,-0.4 -3,-0.2 0.761 72.4 84.5 70.9 27.5 13.2 41.5 -16.5 92 90 A E S S- 0 0 18 -2,-0.3 4,-1.6 1,-0.2 -3,-0.0 -0.429 87.1 -49.1 113.1 178.1 37.7 35.4 -3.0 103 101 A K H > S+ 0 0 155 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.950 127.0 46.2 -49.8 -61.2 39.7 35.3 -6.2 104 102 A E H > S+ 0 0 130 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.832 108.6 54.0 -61.6 -41.2 37.0 33.6 -8.4 105 103 A V H > S+ 0 0 5 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 107.6 50.8 -60.4 -47.1 34.1 35.9 -7.3 106 104 A E H X S+ 0 0 39 -4,-1.6 4,-1.4 -3,-0.2 -1,-0.2 0.842 114.2 45.0 -58.9 -38.7 36.0 39.1 -8.2 107 105 A D H X S+ 0 0 85 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.937 112.7 48.4 -70.0 -51.0 36.8 37.7 -11.7 108 106 A K H < S+ 0 0 115 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.728 111.4 52.5 -66.4 -22.7 33.3 36.4 -12.4 109 107 A I H < S+ 0 0 0 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.903 108.6 50.7 -70.8 -44.1 31.9 39.8 -11.3 110 108 A N H < S+ 0 0 102 -4,-1.4 2,-1.0 1,-0.2 -2,-0.2 0.784 103.8 57.3 -68.8 -32.0 34.3 41.6 -13.7 111 109 A A S < S+ 0 0 90 -4,-1.7 2,-0.3 2,-0.0 -1,-0.2 -0.612 88.7 99.0-100.2 70.7 33.4 39.6 -16.8 112 110 A A S S- 0 0 28 -2,-1.0 4,-0.2 -3,-0.3 -3,-0.0 -0.985 87.0 -57.1-155.2 150.8 29.7 40.3 -16.9 113 111 A K > - 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0 0 79 -5,-1.5 2,-0.3 1,-0.1 -1,-0.3 -0.242 58.3-107.4 -67.8 160.9 -0.7 79.6 49.3 1248 406 C E - 0 0 105 -237,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.724 25.1-131.0 -88.1 142.5 -3.0 82.7 49.9 1249 407 C L >> - 0 0 3 -2,-0.3 4,-2.4 1,-0.2 3,-1.2 -0.865 10.2-156.1 -96.5 109.0 -2.7 84.5 53.2 1250 408 C P H 3> S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 -239,-0.2 0.845 93.8 55.6 -51.6 -39.3 -6.3 84.9 54.6 1251 409 C G H 34 S+ 0 0 0 -241,-2.8 -240,-0.1 -239,-0.2 -241,-0.1 0.787 111.4 44.5 -65.7 -29.3 -5.1 87.9 56.7 1252 410 C V H X4 S+ 0 0 2 -3,-1.2 3,-2.1 -242,-0.5 -1,-0.2 0.927 110.1 52.5 -78.7 -50.0 -3.8 89.6 53.6 1253 411 C L H 3< S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.807 103.1 60.7 -54.4 -34.6 -6.8 88.9 51.4 1254 412 C A T 3< S+ 0 0 31 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.3 0.528 86.1 97.7 -74.3 -8.8 -9.1 90.4 54.1 1255 413 C L S < S- 0 0 5 -3,-2.1 -229,-0.2 -5,-0.1 -406,-0.0 -0.625 84.2-104.9 -82.8 142.0 -7.3 93.7 53.8 1256 414 C S - 0 0 30 -231,-2.1 -408,-2.9 -2,-0.3 -229,-0.2 -0.298 33.3-130.4 -62.5 145.7 -8.9 96.4 51.6 1257 415 C N 0 0 86 -410,-0.2 -410,-0.2 -4,-0.1 -409,-0.2 0.183 360.0 360.0 -75.7-155.6 -7.4 97.2 48.2 1258 416 C K 0 0 197 -412,-0.5 -1,-0.0 -411,-0.1 -406,-0.0 -0.694 360.0 360.0 71.3 360.0 -6.4 100.6 46.7