==== 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 TRANSFERASE(PHOSPHOTRANSFERASE) 25-JAN-88 3PFK . COMPND 2 MOLECULE: PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.R.EVANS,P.J.HUDSON . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 1 0.3 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 1 1 0 0 1 1 0 2 1 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 2 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 M 0 0 76 0, 0.0 3,-0.1 0, 0.0 275,-0.0 0.000 360.0 360.0 360.0 142.5 27.8 -32.0 -0.9 2 2 A K + 0 0 119 1,-0.3 31,-2.2 91,-0.2 2,-0.4 0.572 360.0 29.2-111.8 -26.6 24.8 -34.0 -2.0 3 3 A R E +a 33 0A 41 29,-0.2 92,-2.9 90,-0.1 93,-0.9 -0.930 60.0 175.8-150.2 126.1 22.4 -32.8 0.6 4 4 A I E -ab 34 96A 0 29,-2.7 31,-2.1 -2,-0.4 2,-0.3 -0.688 16.0-141.7-120.3 170.7 21.9 -29.6 2.6 5 5 A G E -ab 35 97A 0 91,-2.4 93,-2.8 -2,-0.2 2,-0.4 -0.879 7.8-158.1-127.2 157.2 19.3 -28.4 5.1 6 6 A V E +ab 36 98A 0 29,-1.8 31,-2.3 -2,-0.3 2,-0.3 -0.995 14.3 171.3-143.7 138.3 17.8 -24.9 5.7 7 7 A L E - b 0 99A 0 91,-2.1 93,-2.8 -2,-0.4 2,-0.4 -0.955 23.8-143.3-144.8 159.9 16.1 -23.5 8.8 8 8 A T E + b 0 100A 0 29,-0.5 2,-0.3 61,-0.4 63,-0.2 -0.975 27.3 169.7-124.6 136.3 14.8 -20.2 10.1 9 9 A S E + b 0 101A 9 91,-1.9 93,-0.8 -2,-0.4 96,-0.2 -0.960 40.0 32.0-145.6 156.7 15.2 -19.4 13.8 10 10 A G S S- 0 0 35 61,-0.6 2,-0.2 -2,-0.3 115,-0.1 -0.399 110.9 -16.1 86.8-171.5 14.7 -16.3 16.0 11 11 A G S S- 0 0 36 -2,-0.1 -2,-0.1 1,-0.1 115,-0.1 -0.492 79.5-113.0 -68.0 131.8 12.0 -13.8 15.3 12 12 A D - 0 0 43 -2,-0.2 114,-0.2 -4,-0.1 -1,-0.1 -0.136 35.2-167.9 -58.9 160.5 10.5 -14.1 11.8 13 13 A S > - 0 0 0 112,-0.1 3,-1.9 52,-0.1 4,-0.2 -0.991 31.7 -94.0-151.5 147.0 11.2 -11.2 9.3 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.2 -0.516 112.3 38.3 -63.0 125.9 9.8 -10.3 5.9 15 15 A G T 3> S+ 0 0 0 48,-0.6 4,-1.9 50,-0.4 3,-0.1 0.137 78.5 110.4 115.5 -14.4 12.1 -11.7 3.2 16 16 A M H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.895 80.7 50.5 -59.6 -40.8 12.8 -15.0 5.0 17 17 A N H > S+ 0 0 2 48,-0.8 4,-2.5 46,-0.5 -1,-0.2 0.803 107.0 52.0 -67.7 -34.4 10.8 -16.8 2.4 18 18 A A H > S+ 0 0 0 43,-0.3 4,-1.8 45,-0.2 -1,-0.2 0.847 111.2 49.7 -67.4 -33.7 12.7 -15.2 -0.5 19 19 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.934 111.0 48.1 -62.9 -51.0 15.9 -16.4 1.3 20 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.895 109.5 54.7 -56.5 -46.3 14.5 -19.9 1.6 21 21 A R H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.889 109.5 44.9 -59.7 -44.8 13.6 -19.8 -2.0 22 22 A S H X S+ 0 0 10 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.891 112.3 51.8 -70.7 -40.0 17.2 -18.8 -3.2 23 23 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.967 114.9 43.2 -56.3 -53.3 18.8 -21.5 -0.9 24 24 A V H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.884 120.3 40.5 -59.7 -45.9 16.4 -24.1 -2.4 25 25 A R H X S+ 0 0 82 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.867 115.2 50.8 -73.8 -37.8 16.8 -23.0 -6.0 26 26 A K H X S+ 0 0 46 -4,-3.7 4,-1.5 2,-0.2 3,-0.2 0.969 112.2 46.7 -60.0 -56.8 20.6 -22.3 -5.8 27 27 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.3 -1,-0.2 0.829 113.2 47.8 -51.4 -49.6 21.3 -25.7 -4.3 28 28 A I H ><5S+ 0 0 58 -4,-1.6 3,-1.9 -5,-0.2 -1,-0.3 0.818 105.2 57.5 -68.4 -34.2 19.2 -27.7 -6.8 29 29 A Y H 3<5S+ 0 0 192 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.856 107.7 50.5 -61.7 -32.7 20.6 -25.8 -9.8 30 30 A H T 3<5S- 0 0 78 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.382 124.1-112.6 -81.8 0.5 23.9 -27.2 -8.5 31 31 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.378 75.8 131.0 79.0 1.4 22.3 -30.6 -8.3 32 32 A V < - 0 0 7 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.435 55.4-122.0 -79.2 160.4 22.4 -30.7 -4.5 33 33 A E E -a 3 0A 61 -31,-2.2 -29,-2.7 -2,-0.1 2,-0.4 -0.887 18.8-142.9-110.1 138.4 19.2 -31.7 -2.6 34 34 A V E -aC 4 52A 1 18,-0.6 18,-3.3 -2,-0.4 2,-0.4 -0.853 11.2-170.0-110.3 136.3 17.5 -29.5 0.0 35 35 A Y E -aC 5 51A 37 -31,-2.1 -29,-1.8 -2,-0.4 2,-0.3 -0.957 17.6-139.4-117.2 129.8 15.8 -30.6 3.2 36 36 A G E -aC 6 50A 0 14,-3.4 14,-2.0 -2,-0.4 2,-0.5 -0.702 6.5-150.9 -92.0 142.1 13.7 -28.1 5.3 37 37 A V E - C 0 49A 0 -31,-2.3 3,-0.5 -2,-0.3 -29,-0.5 -0.979 17.9-147.0-112.5 122.0 13.8 -28.1 9.1 38 38 A Y S S+ 0 0 34 10,-2.5 10,-0.2 -2,-0.5 31,-0.2 -0.698 72.7 16.9 -95.4 138.7 10.6 -26.9 10.7 39 39 A H S >> S- 0 0 75 29,-2.6 4,-0.7 -2,-0.3 3,-0.6 0.736 106.0-108.9 72.7 25.7 10.2 -24.9 13.9 40 40 A G H 3> S- 0 0 0 28,-0.5 4,-1.5 -3,-0.5 -31,-0.2 -0.322 83.7 -9.1 60.5-132.2 13.9 -24.0 13.8 41 41 A Y H 3> S+ 0 0 9 30,-0.4 4,-1.6 1,-0.2 3,-0.2 0.933 135.8 56.6 -64.9 -49.2 16.2 -25.5 16.3 42 42 A A H <> S+ 0 0 31 -3,-0.6 4,-1.7 1,-0.3 -1,-0.2 0.802 109.6 45.8 -51.1 -38.4 13.4 -27.1 18.3 43 43 A G H <>S+ 0 0 1 -4,-0.7 5,-2.9 1,-0.2 -1,-0.3 0.828 105.5 60.7 -76.2 -32.9 12.2 -28.9 15.2 44 44 A L H ><5S+ 0 0 0 -4,-1.5 3,-0.5 -3,-0.2 -2,-0.2 0.828 107.4 45.5 -60.3 -38.6 15.7 -29.9 14.3 45 45 A I H 3<5S+ 0 0 26 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 111.3 50.7 -68.4 -51.3 15.8 -31.8 17.7 46 46 A A T 3<5S- 0 0 69 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.224 116.2-117.8 -72.8 11.8 12.4 -33.4 17.2 47 47 A G T < 5 + 0 0 19 -3,-0.5 2,-1.9 1,-0.2 -3,-0.2 0.736 54.2 164.2 49.9 34.5 13.6 -34.5 13.7 48 48 A N < + 0 0 73 -5,-2.9 -10,-2.5 -10,-0.2 2,-0.3 -0.516 22.3 139.0 -77.3 66.5 10.9 -32.3 12.0 49 49 A I E +C 37 0A 22 -2,-1.9 2,-0.3 -12,-0.2 -12,-0.2 -0.892 25.6 172.8-119.1 147.1 12.5 -32.4 8.5 50 50 A K E -C 36 0A 102 -14,-2.0 -14,-3.4 -2,-0.3 -2,-0.0 -0.969 36.0-107.8-153.7 136.0 11.1 -32.8 5.0 51 51 A K E -C 35 0A 73 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.3 -0.249 30.7-136.6 -61.5 155.7 12.8 -32.5 1.6 52 52 A L E -C 34 0A 2 -18,-3.3 -18,-0.6 -28,-0.0 2,-0.2 -0.978 12.0-154.5-121.6 122.6 11.9 -29.4 -0.5 53 53 A E > - 0 0 97 -2,-0.5 3,-2.3 -20,-0.1 4,-0.5 -0.550 36.0-100.9 -91.7 160.9 11.2 -29.6 -4.2 54 54 A V G > S+ 0 0 75 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.774 123.8 48.5 -48.7 -36.4 11.8 -26.7 -6.5 55 55 A G G > S+ 0 0 56 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.521 89.8 77.5 -84.1 -11.9 8.0 -26.0 -6.5 56 56 A D G < S+ 0 0 65 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.700 102.0 45.0 -69.7 -18.5 7.7 -26.1 -2.7 57 57 A V G X S+ 0 0 0 -3,-0.7 3,-0.6 -4,-0.5 -1,-0.3 0.117 86.1 111.8-110.1 18.3 9.2 -22.6 -3.0 58 58 A G T < S+ 0 0 28 -3,-1.2 -3,-0.0 1,-0.2 -37,-0.0 -0.520 80.8 19.5 -84.6 153.2 7.1 -21.2 -5.9 59 59 A D T 3 S+ 0 0 137 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.706 101.6 91.3 56.6 30.7 4.7 -18.4 -4.9 60 60 A I X + 0 0 15 -3,-0.6 3,-1.8 -43,-0.1 -43,-0.2 0.497 51.4 92.5-123.9 -14.3 6.5 -17.5 -1.7 61 61 A I T 3 S+ 0 0 51 1,-0.3 -43,-0.3 -4,-0.3 -42,-0.1 0.811 95.2 41.7 -51.3 -36.6 9.0 -14.8 -2.8 62 62 A H T 3 S+ 0 0 67 -45,-0.1 2,-0.3 193,-0.1 -1,-0.3 0.385 95.4 100.6 -92.9 -2.2 6.4 -12.1 -1.9 63 63 A R < - 0 0 143 -3,-1.8 -48,-0.6 192,-0.2 -46,-0.5 -0.646 63.2-135.5 -91.3 146.9 5.1 -13.5 1.3 64 64 A G + 0 0 21 -2,-0.3 191,-0.1 -50,-0.2 189,-0.1 -0.199 68.8 32.9 -83.0 179.8 6.1 -12.4 4.8 65 65 A G S S- 0 0 14 187,-0.4 -48,-0.8 189,-0.2 2,-0.4 -0.209 96.7 -73.6 66.1-163.8 7.0 -14.7 7.7 66 66 A T > - 0 0 17 -50,-0.2 3,-2.0 -49,-0.1 -1,-0.1 -0.995 18.2-148.7-134.4 126.8 8.6 -18.1 7.1 67 67 A I T 3 S+ 0 0 53 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.516 102.3 60.1 -67.4 -5.6 7.0 -21.2 5.6 68 68 A L T 3 S- 0 0 0 1,-0.2 -29,-2.6 -30,-0.1 -28,-0.5 0.445 101.6-141.5 -99.1 -7.2 9.5 -23.2 7.8 69 69 A Y < - 0 0 137 -3,-2.0 -29,-0.5 -31,-0.2 -61,-0.4 0.065 11.5-127.3 68.0 175.2 8.1 -21.7 11.0 70 70 A T - 0 0 43 -31,-0.2 2,-0.3 -32,-0.1 -30,-0.2 -0.970 23.0-179.6-157.7 154.8 10.4 -20.8 13.9 71 71 A A - 0 0 33 -2,-0.3 -61,-0.6 -63,-0.2 2,-0.5 -0.962 34.7-102.2-155.5 163.9 10.6 -21.5 17.7 72 72 A R - 0 0 119 -2,-0.3 3,-0.1 -63,-0.1 -2,-0.0 -0.831 34.8-172.9 -90.7 121.8 12.6 -20.7 20.8 73 73 A C > + 0 0 30 -2,-0.5 3,-1.4 1,-0.1 4,-0.1 -0.748 19.2 164.1-125.0 85.3 14.8 -23.7 21.6 74 74 A P G > S+ 0 0 109 0, 0.0 3,-2.4 0, 0.0 4,-0.4 0.854 73.7 71.5 -63.4 -35.6 16.6 -23.3 25.0 75 75 A E G 3 S+ 0 0 134 1,-0.3 6,-0.5 2,-0.2 3,-0.2 0.513 85.1 68.4 -59.8 -7.8 17.4 -27.0 25.0 76 76 A F G < S+ 0 0 10 -3,-1.4 -1,-0.3 5,-0.2 6,-0.2 0.522 76.9 76.7 -90.4 -11.9 19.9 -26.4 22.1 77 77 A K S < S+ 0 0 80 -3,-2.4 2,-0.2 -4,-0.1 -1,-0.2 0.779 88.8 91.9 -65.6 -23.4 22.3 -24.5 24.4 78 78 A T S > S- 0 0 67 -4,-0.4 4,-4.4 -3,-0.2 5,-0.3 -0.442 80.1-139.9 -82.8 138.5 23.0 -28.1 25.5 79 79 A E H > S+ 0 0 150 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.845 113.5 53.9 -57.3 -34.1 25.5 -30.5 24.3 80 80 A E H > S+ 0 0 65 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.942 110.3 44.4 -67.7 -47.5 22.6 -33.0 24.6 81 81 A G H > S+ 0 0 3 -6,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.971 114.2 49.7 -58.3 -56.9 20.4 -30.8 22.5 82 82 A Q H X S+ 0 0 5 -4,-4.4 4,-2.5 1,-0.2 -1,-0.2 0.812 112.6 48.7 -53.4 -33.4 23.3 -30.3 20.0 83 83 A K H X S+ 0 0 46 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.938 109.8 49.0 -71.9 -47.8 23.8 -34.1 19.9 84 84 A K H X S+ 0 0 58 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.900 115.1 48.3 -57.9 -38.6 20.2 -34.9 19.4 85 85 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.914 110.4 47.8 -68.6 -48.4 20.3 -32.4 16.6 86 86 A I H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.797 111.5 54.2 -65.1 -26.6 23.4 -33.7 15.0 87 87 A E H X S+ 0 0 123 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.957 107.5 47.6 -68.2 -50.6 21.9 -37.1 15.2 88 88 A Q H X S+ 0 0 33 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.838 111.0 54.1 -56.5 -40.2 18.7 -36.1 13.4 89 89 A L H >X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-1.9 0.968 111.5 41.9 -58.2 -61.2 20.9 -34.4 10.8 90 90 A K H ><5S+ 0 0 127 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.829 104.0 67.4 -56.8 -37.7 22.9 -37.5 10.1 91 91 A K H 3<5S+ 0 0 154 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 111.2 34.8 -60.2 -19.8 19.8 -39.7 10.2 92 92 A H H <<5S- 0 0 54 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.453 113.1-120.0-110.7 -6.9 18.7 -37.9 7.0 93 93 A G T <<5 + 0 0 31 -4,-0.7 2,-0.7 -3,-0.5 -3,-0.2 0.788 52.7 163.7 72.6 29.9 22.2 -37.6 5.7 94 94 A I < - 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -90,-0.2 -0.786 15.2-175.0 -79.3 118.0 21.9 -33.8 5.6 95 95 A Q + 0 0 77 -92,-2.9 2,-0.3 -2,-0.7 -91,-0.2 0.756 58.0 27.1 -85.3 -34.6 25.6 -32.7 5.3 96 96 A G E -b 4 0A 0 -93,-0.9 -91,-2.4 21,-0.1 2,-0.4 -0.918 64.2-142.6-134.0 157.6 25.3 -28.9 5.6 97 97 A L E -bd 5 119A 0 21,-2.5 23,-2.2 -2,-0.3 2,-0.6 -0.977 6.7-162.3-134.4 129.9 23.1 -26.3 7.1 98 98 A V E -bd 6 120A 0 -93,-2.8 -91,-2.1 -2,-0.4 2,-0.5 -0.926 18.6-164.8-100.9 119.1 21.9 -22.9 6.1 99 99 A V E -bd 7 121A 0 21,-3.1 23,-2.6 -2,-0.6 2,-0.5 -0.948 4.3-168.9-109.4 123.8 20.6 -21.0 9.1 100 100 A I E +bd 8 122A 0 -93,-2.8 -91,-1.9 -2,-0.5 2,-0.3 -0.972 45.0 63.5-109.2 120.0 18.5 -17.9 8.5 101 101 A G E S-bd 9 123A 0 21,-2.9 23,-1.7 -2,-0.5 -91,-0.2 -0.995 77.7 -31.3 165.6-164.2 17.8 -15.8 11.6 102 102 A G > - 0 0 16 -93,-0.8 4,-0.6 -2,-0.3 -1,-0.1 0.328 67.5 -89.8 -68.5-158.7 19.0 -13.6 14.6 103 103 A D H > S+ 0 0 63 2,-0.2 4,-2.3 26,-0.2 5,-0.1 0.706 125.7 65.1 -92.4 -22.7 22.3 -13.8 16.4 104 104 A G H > S+ 0 0 48 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.786 104.6 49.9 -64.9 -26.9 20.9 -16.3 18.9 105 105 A S H > S+ 0 0 2 2,-0.2 4,-1.2 -96,-0.2 -1,-0.2 0.799 104.3 56.2 -80.5 -34.5 20.7 -18.4 15.7 106 106 A Y H X S+ 0 0 4 -4,-0.6 4,-2.0 2,-0.2 3,-0.3 0.901 102.2 56.3 -65.9 -43.7 24.3 -17.7 14.8 107 107 A Q H X S+ 0 0 98 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.880 106.3 51.0 -51.4 -45.2 25.6 -19.1 18.1 108 108 A G H X S+ 0 0 7 -4,-0.8 4,-1.8 1,-0.2 -1,-0.3 0.833 108.6 50.8 -62.8 -38.1 23.8 -22.3 17.3 109 109 A A H X S+ 0 0 0 -4,-1.2 4,-1.0 -3,-0.3 -1,-0.2 0.807 110.8 50.5 -70.6 -29.6 25.5 -22.4 13.9 110 110 A K H >X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 3,-1.5 0.983 109.3 48.7 -67.7 -61.1 28.8 -21.9 15.7 111 111 A K H 3X S+ 0 0 91 -4,-2.9 4,-0.7 1,-0.3 -2,-0.2 0.820 109.8 55.2 -47.2 -40.2 28.3 -24.7 18.2 112 112 A L H 3<>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 -1,-0.3 0.761 107.6 46.9 -67.5 -32.6 27.3 -26.9 15.2 113 113 A T H X<5S+ 0 0 36 -3,-1.5 3,-3.5 -4,-1.0 -2,-0.2 0.876 102.6 61.4 -76.8 -42.0 30.5 -26.4 13.3 114 114 A E H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.4 50.0 -55.1 -24.0 32.6 -27.0 16.4 115 115 A H T 3<5S- 0 0 82 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.148 131.1-102.5-101.1 20.6 30.9 -30.4 16.1 116 116 A G T < 5S+ 0 0 61 -3,-3.5 -3,-0.3 1,-0.2 -2,-0.2 0.723 79.5 133.9 67.4 29.5 31.9 -30.5 12.5 117 117 A F < - 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0 0 98 -173,-0.1 2,-0.5 -2,-0.0 -171,-0.2 -0.836 10.5-117.6-117.6 155.1 29.7 -4.8 17.7 304 305 A H + 0 0 50 -2,-0.3 2,-0.3 -173,-0.1 -175,-0.1 -0.809 38.2 169.6 -90.6 126.4 26.7 -3.1 16.2 305 306 A T - 0 0 109 -2,-0.5 2,-0.3 -132,-0.1 -132,-0.0 -0.890 23.6-137.9-134.4 160.6 26.9 0.6 15.6 306 307 A I - 0 0 17 -2,-0.3 2,-1.1 -113,-0.1 3,-0.1 -0.775 37.3 -95.1-113.4 159.5 24.8 3.3 13.8 307 308 A D >> - 0 0 93 -2,-0.3 4,-1.4 1,-0.2 3,-1.3 -0.687 33.7-165.0 -76.3 99.9 26.1 6.2 11.7 308 309 A Q H 3> S+ 0 0 95 -2,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.757 87.2 63.6 -57.1 -30.1 26.2 9.0 14.2 309 310 A R H 3> S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.846 101.3 51.3 -63.0 -34.9 26.5 11.5 11.3 310 311 A M H <> S+ 0 0 39 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.888 108.4 51.3 -66.7 -39.9 23.0 10.3 10.3 311 312 A Y H X S+ 0 0 16 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.890 110.0 49.7 -64.7 -38.0 21.8 10.9 13.8 312 313 A A H >X S+ 0 0 35 -4,-2.1 4,-1.6 1,-0.2 3,-0.6 0.948 106.5 53.7 -63.6 -50.8 23.3 14.5 13.7 313 314 A L H 3X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.845 99.3 65.1 -51.8 -36.9 21.6 15.3 10.4 314 315 A S H 3< S+ 0 0 9 -4,-1.6 4,-0.5 1,-0.2 3,-0.3 0.924 103.9 46.2 -55.1 -47.6 18.3 14.3 12.0 315 316 A K H X< S+ 0 0 95 -4,-1.1 3,-0.8 -3,-0.6 -1,-0.2 0.832 110.1 51.9 -65.5 -36.3 18.8 17.2 14.3 316 317 A E H 3< S+ 0 0 123 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 106.1 55.6 -72.9 -23.7 19.7 19.8 11.6 317 318 A L T 3< S+ 0 0 121 -4,-1.8 2,-0.4 -3,-0.3 -1,-0.2 0.586 85.0 100.7 -87.2 -7.4 16.7 18.9 9.5 318 319 A S < 0 0 20 -3,-0.8 -131,-0.1 -4,-0.5 -132,-0.1 -0.637 360.0 360.0 -84.7 132.3 14.2 19.6 12.3 319 320 A I 0 0 104 -2,-0.4 -1,-0.1 -111,-0.0 -108,-0.1 0.647 360.0 360.0 -65.4 360.0 12.4 22.9 12.1