==== 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 09-JUN-05 1ZXX . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS DELBRUECKII SUBSP. BULGA . AUTHOR N.M.PARICHARTTANAKUL,S.YE,A.L.MENEFEE,F.JAVID-MAJD,J.C.SACCH . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 75.9 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 . 11 3.4 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 . 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 . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.8 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 0 0 1 0 2 1 0 1 3 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 1 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 96 0, 0.0 3,-0.1 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 127.7 -17.5 30.1 23.5 2 2 A K + 0 0 142 1,-0.3 31,-3.0 91,-0.2 2,-0.4 0.632 360.0 42.9-127.4 -34.6 -18.1 28.3 26.8 3 3 A R E -a 33 0A 81 90,-0.3 92,-2.9 29,-0.2 93,-1.1 -0.978 59.0-169.3-127.5 133.3 -16.7 30.4 29.6 4 4 A I E -ab 34 96A 1 29,-2.8 31,-2.6 -2,-0.4 2,-0.3 -0.922 9.4-146.1-122.2 148.7 -16.8 34.1 30.3 5 5 A G E -ab 35 97A 0 91,-2.7 93,-2.9 -2,-0.3 2,-0.4 -0.770 7.2-157.5-106.9 152.8 -15.0 36.4 32.8 6 6 A I E +ab 36 98A 0 29,-1.8 31,-2.4 -2,-0.3 2,-0.3 -0.998 15.3 168.8-131.0 134.3 -16.2 39.5 34.5 7 7 A L E - b 0 99A 0 91,-1.8 93,-2.9 -2,-0.4 2,-0.4 -0.987 24.4-144.1-139.5 151.8 -14.2 42.4 36.0 8 8 A T E - b 0 100A 0 61,-0.5 32,-0.4 29,-0.5 63,-0.3 -0.970 26.5-178.1-113.8 134.0 -14.8 45.9 37.3 9 9 A S + 0 0 14 91,-2.5 93,-0.5 -2,-0.4 96,-0.2 -0.930 38.8 13.4-136.1 149.4 -12.1 48.5 36.7 10 10 A G S S- 0 0 14 -2,-0.3 2,-0.1 91,-0.2 115,-0.0 -0.335 109.9 -8.4 80.6-169.6 -11.5 52.1 37.5 11 11 A G S S- 0 0 26 1,-0.1 -2,-0.1 -2,-0.1 115,-0.1 -0.397 81.7-114.7 -66.3 133.8 -13.5 54.1 40.1 12 12 A D - 0 0 49 -2,-0.1 114,-0.4 113,-0.1 -1,-0.1 -0.138 32.1-167.9 -66.0 165.1 -16.5 52.2 41.5 13 13 A A > - 0 0 0 112,-0.1 3,-1.8 52,-0.1 4,-0.2 -0.989 32.6 -93.1-154.5 144.6 -20.0 53.2 40.9 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.1 -0.424 111.4 36.2 -60.8 128.6 -23.5 52.3 42.2 15 15 A G T 3> S+ 0 0 0 48,-0.5 4,-1.7 50,-0.3 5,-0.1 0.236 77.2 111.0 109.4 -12.6 -25.0 49.6 40.0 16 16 A M H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.893 81.4 52.1 -54.4 -41.3 -21.8 47.7 39.1 17 17 A N H > S+ 0 0 2 48,-0.7 4,-2.7 46,-0.5 -1,-0.2 0.905 105.5 53.3 -65.3 -41.2 -23.1 44.8 41.2 18 18 A A H > S+ 0 0 0 43,-0.3 4,-2.3 45,-0.3 -1,-0.2 0.853 109.3 51.1 -60.9 -33.2 -26.4 44.8 39.3 19 19 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.927 109.0 48.2 -69.9 -44.6 -24.3 44.6 36.0 20 20 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.935 113.2 50.1 -60.0 -45.0 -22.3 41.6 37.3 21 21 A R H X S+ 0 0 72 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.933 111.7 47.1 -55.8 -50.1 -25.6 40.0 38.3 22 22 A A H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.902 114.2 46.1 -64.7 -44.1 -27.1 40.7 34.9 23 23 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.938 114.7 48.0 -60.2 -51.3 -24.1 39.3 32.9 24 24 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.941 116.2 42.0 -55.6 -52.0 -23.8 36.3 35.1 25 25 A R H X S+ 0 0 79 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.877 116.0 47.1 -70.1 -39.0 -27.6 35.3 35.0 26 26 A V H < S+ 0 0 30 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.882 113.9 49.8 -69.4 -36.9 -28.0 36.0 31.2 27 27 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.3 3,-0.9 0.910 111.3 47.6 -64.6 -44.5 -24.8 34.1 30.5 28 28 A I H ><5S+ 0 0 61 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.846 106.2 58.5 -66.9 -33.8 -26.0 31.1 32.6 29 29 A A T 3<5S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.660 107.3 49.6 -66.6 -15.7 -29.4 31.2 30.9 30 30 A N T < 5S- 0 0 79 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.048 125.8 -97.6-113.9 22.1 -27.5 30.7 27.6 31 31 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.568 78.3 135.5 80.0 12.4 -25.4 27.7 28.7 32 32 A L < - 0 0 12 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.624 51.5-130.4 -93.2 151.0 -22.2 29.6 29.6 33 33 A E E -a 3 0A 94 -31,-3.0 -29,-2.8 -2,-0.2 2,-0.4 -0.794 26.4-146.6 -93.4 144.7 -20.0 29.2 32.6 34 34 A V E -a 4 0A 5 18,-0.4 18,-2.9 -2,-0.4 2,-0.4 -0.902 12.9-168.9-120.4 140.3 -19.1 32.4 34.4 35 35 A F E -aC 5 51A 13 -31,-2.6 -29,-1.8 -2,-0.4 2,-0.3 -0.992 15.9-137.7-130.2 134.8 -16.0 33.5 36.3 36 36 A G E -aC 6 50A 0 14,-2.9 14,-2.3 -2,-0.4 2,-0.5 -0.671 11.7-158.6 -86.1 143.4 -15.4 36.5 38.5 37 37 A I E - C 0 49A 0 -31,-2.4 -29,-0.5 -2,-0.3 3,-0.5 -0.988 15.9-146.6-122.9 117.2 -12.1 38.4 38.2 38 38 A R > + 0 0 80 10,-2.5 5,-0.5 -2,-0.5 31,-0.2 -0.369 69.4 17.3 -84.8 159.9 -11.2 40.4 41.3 39 39 A Y T >>5S- 0 0 93 29,-2.1 3,-1.3 4,-0.2 4,-1.2 0.809 105.3-101.2 51.7 40.9 -9.4 43.8 41.5 40 40 A G H 3>5S- 0 0 0 29,-1.0 4,-1.3 -3,-0.5 3,-0.3 -0.137 88.4 -16.0 51.9-137.8 -10.0 44.6 37.8 41 41 A F H 3>5S+ 0 0 14 30,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.708 134.3 67.4 -71.5 -19.7 -7.0 44.1 35.5 42 42 A A H <>5S+ 0 0 21 -3,-1.3 4,-1.7 29,-0.7 -2,-0.2 0.928 105.3 39.0 -63.7 -49.1 -4.7 43.9 38.6 43 43 A G H XXS+ 0 0 2 -4,-1.2 5,-2.8 -5,-0.5 4,-1.5 0.749 108.6 63.9 -74.7 -24.9 -6.3 40.6 39.8 44 44 A L H <5S+ 0 0 0 -4,-1.3 3,-0.2 -5,-0.2 -2,-0.2 0.941 108.3 41.3 -58.6 -48.7 -6.5 39.4 36.2 45 45 A V H <5S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 116.2 49.8 -66.3 -37.7 -2.7 39.5 36.1 46 46 A A H <5S- 0 0 79 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.694 114.0-119.4 -73.4 -19.4 -2.5 38.0 39.6 47 47 A G T <5 + 0 0 19 -4,-1.5 2,-2.1 -3,-0.2 -3,-0.2 0.716 55.0 157.8 83.8 24.5 -4.9 35.2 38.7 48 48 A D < + 0 0 49 -5,-2.8 -10,-2.5 -10,-0.2 2,-0.4 -0.562 26.9 139.4 -80.6 76.3 -7.6 36.1 41.2 49 49 A I E +C 37 0A 14 -2,-2.1 -12,-0.2 -12,-0.2 -44,-0.0 -0.981 23.2 168.4-129.6 133.2 -10.3 34.3 39.1 50 50 A F E -C 36 0A 36 -14,-2.3 -14,-2.9 -2,-0.4 2,-0.2 -0.974 39.9 -90.2-146.7 155.9 -13.1 32.1 40.5 51 51 A P E -C 35 0A 72 0, 0.0 2,-0.7 0, 0.0 -16,-0.3 -0.506 33.1-151.4 -72.3 133.4 -16.3 30.4 39.3 52 52 A L - 0 0 3 -18,-2.9 -18,-0.4 -2,-0.2 2,-0.1 -0.929 12.6-164.2-105.1 106.7 -19.5 32.6 39.7 53 53 A E > - 0 0 105 -2,-0.7 3,-0.8 1,-0.1 4,-0.4 -0.454 34.2-108.8 -81.7 162.5 -22.6 30.4 40.2 54 54 A S G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.866 121.2 55.1 -58.5 -37.0 -26.0 31.9 39.7 55 55 A E G > S+ 0 0 154 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.749 95.8 68.6 -67.5 -23.8 -26.6 31.7 43.5 56 56 A D G < S+ 0 0 72 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.626 95.5 53.9 -73.6 -14.5 -23.4 33.8 44.0 57 57 A V G X S+ 0 0 0 -3,-1.2 3,-0.6 -4,-0.4 4,-0.3 0.221 81.2 119.1-104.8 13.7 -25.1 36.9 42.5 58 58 A A T < S+ 0 0 46 -3,-1.3 -3,-0.0 1,-0.2 -37,-0.0 -0.406 74.5 20.1 -67.9 153.0 -28.1 36.8 44.8 59 59 A H T 3 S+ 0 0 172 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.848 99.7 99.6 52.6 42.3 -28.6 39.9 47.1 60 60 A L X + 0 0 17 -3,-0.6 3,-1.9 -43,-0.1 -42,-0.2 0.603 50.2 83.1-123.4 -26.1 -26.5 42.1 44.8 61 61 A I T 3 S+ 0 0 50 -4,-0.3 -43,-0.3 1,-0.3 -44,-0.1 0.814 101.9 37.3 -56.3 -32.6 -28.9 44.1 42.7 62 62 A N T 3 S+ 0 0 69 -45,-0.1 2,-0.4 193,-0.1 -1,-0.3 0.385 96.1 106.3 -99.4 2.8 -29.4 46.7 45.4 63 63 A V < - 0 0 57 -3,-1.9 -48,-0.5 192,-0.1 -46,-0.5 -0.717 61.1-139.1 -96.7 129.2 -25.8 46.7 46.7 64 64 A S + 0 0 32 -2,-0.4 191,-0.1 -50,-0.1 189,-0.1 -0.066 63.8 26.3 -68.7 176.0 -23.4 49.6 46.0 65 65 A G S S- 0 0 12 187,-0.3 -48,-0.7 189,-0.2 2,-0.4 -0.096 98.1 -68.1 69.2-166.0 -19.7 49.3 45.0 66 66 A T > - 0 0 16 -50,-0.1 3,-1.2 1,-0.1 4,-0.1 -0.981 28.4-158.4-128.3 124.6 -18.3 46.2 43.4 67 67 A F T 3 S+ 0 0 64 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.680 97.7 57.7 -73.5 -16.3 -18.1 43.0 45.3 68 68 A L T 3 S- 0 0 0 1,-0.1 -29,-2.1 -30,-0.1 -1,-0.3 0.598 110.4-131.4 -82.7 -13.5 -15.3 41.9 43.0 69 69 A Y < - 0 0 125 -3,-1.2 -29,-1.0 -31,-0.2 -61,-0.5 0.235 10.8-119.0 73.6 156.8 -13.3 45.0 44.0 70 70 A S + 0 0 39 -31,-0.3 2,-0.3 -4,-0.1 -61,-0.2 -0.953 32.2 169.0-125.3 150.4 -11.5 47.4 41.6 71 71 A A - 0 0 33 -63,-0.3 -29,-0.7 -2,-0.3 -30,-0.4 -0.942 32.6-109.5-163.5 139.7 -7.8 48.2 41.4 72 72 A R - 0 0 188 -2,-0.3 -63,-0.0 -31,-0.1 -2,-0.0 -0.447 27.5-177.5 -78.4 143.3 -5.5 50.1 39.0 73 73 A Y > + 0 0 72 -2,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.784 12.3 176.0-145.2 95.0 -3.0 48.3 36.9 74 74 A P G >> S+ 0 0 95 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.865 80.6 62.0 -64.2 -38.9 -0.6 50.4 34.6 75 75 A E G 34 S+ 0 0 90 1,-0.3 6,-1.7 2,-0.2 7,-0.5 0.605 88.2 71.1 -69.8 -13.4 1.4 47.3 33.4 76 76 A F G <4 S+ 0 0 5 -3,-0.8 -1,-0.3 5,-0.3 6,-0.1 0.777 91.1 59.1 -73.0 -27.7 -1.7 45.8 31.7 77 77 A A T <4 S+ 0 0 69 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.885 102.5 69.6 -61.9 -39.2 -1.6 48.5 29.1 78 78 A E S X S- 0 0 114 -4,-0.6 4,-1.9 1,-0.1 3,-0.4 -0.381 98.8-111.0 -76.8 158.6 1.9 47.1 28.3 79 79 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.699 111.8 67.8 -63.1 -24.1 2.6 43.7 26.7 80 80 A E H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.968 108.8 34.4 -57.8 -56.9 4.0 42.4 30.0 81 81 A G H > S+ 0 0 0 -6,-1.7 4,-3.1 -3,-0.4 5,-0.3 0.874 113.8 59.9 -68.9 -41.0 0.7 42.5 31.8 82 82 A Q H X S+ 0 0 7 -4,-1.9 4,-2.9 -7,-0.5 -2,-0.2 0.955 108.7 42.9 -50.0 -58.4 -1.4 41.6 28.7 83 83 A L H X S+ 0 0 90 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.864 114.4 51.4 -58.8 -40.1 0.4 38.3 28.3 84 84 A A H X S+ 0 0 29 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.910 112.5 45.1 -65.4 -44.2 0.3 37.5 32.0 85 85 A G H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.908 112.9 51.9 -62.2 -44.8 -3.5 38.2 32.1 86 86 A I H X S+ 0 0 12 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.892 107.1 51.7 -60.2 -43.6 -3.9 36.1 28.9 87 87 A E H X S+ 0 0 109 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.881 111.3 48.7 -59.1 -39.7 -2.0 33.2 30.5 88 88 A Q H X S+ 0 0 46 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.898 109.8 51.4 -66.4 -42.9 -4.4 33.5 33.5 89 89 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-0.7 0.955 112.0 46.6 -56.0 -51.9 -7.4 33.6 31.2 90 90 A K H ><5S+ 0 0 111 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.851 105.1 61.6 -58.6 -38.6 -6.2 30.4 29.4 91 91 A K H 3<5S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.3 38.2 -57.5 -37.0 -5.5 28.8 32.7 92 92 A H T <<5S- 0 0 47 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.311 112.8-115.4 -99.5 6.5 -9.2 29.0 33.6 93 93 A G T < 5 + 0 0 31 -3,-1.1 -90,-0.3 -4,-0.3 2,-0.3 0.660 56.3 163.1 71.9 16.8 -10.5 28.2 30.1 94 94 A I < - 0 0 2 -5,-2.0 -1,-0.2 -6,-0.2 -90,-0.2 -0.534 19.5-178.9 -75.2 131.0 -12.1 31.7 29.8 95 95 A D + 0 0 62 -92,-2.9 23,-0.5 -2,-0.3 2,-0.3 0.668 64.0 15.6-100.5 -26.7 -13.0 32.6 26.2 96 96 A A E -b 4 0A 1 -93,-1.1 -91,-2.7 21,-0.2 2,-0.4 -0.965 62.5-145.7-152.1 159.6 -14.4 36.1 26.5 97 97 A V E -bd 5 119A 0 21,-1.9 23,-1.9 -2,-0.3 2,-0.6 -0.993 6.8-150.0-136.0 134.1 -14.5 39.0 29.1 98 98 A V E -bd 6 120A 0 -93,-2.9 -91,-1.8 -2,-0.4 2,-0.6 -0.941 20.2-157.4 -98.4 126.0 -17.0 41.6 30.0 99 99 A V E -bd 7 121A 0 21,-3.4 23,-3.2 -2,-0.6 2,-0.7 -0.912 4.9-165.6-106.7 112.8 -15.2 44.7 31.3 100 100 A I E +bd 8 122A 0 -93,-2.9 -91,-2.5 -2,-0.6 2,-0.3 -0.881 46.2 74.9-100.3 114.2 -17.3 47.0 33.5 101 101 A G E S- d 0 123A 0 21,-2.7 23,-2.1 -2,-0.7 -91,-0.2 -0.952 78.0 -43.4 178.6-160.5 -15.7 50.4 34.0 102 102 A G >> - 0 0 15 -93,-0.5 3,-1.4 -2,-0.3 4,-0.8 -0.258 66.5 -88.8 -87.4 177.3 -14.9 53.8 32.5 103 103 A D H 3> S+ 0 0 53 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.806 125.9 67.4 -63.1 -22.5 -13.6 54.5 29.0 104 104 A G H >4 S+ 0 0 48 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.864 98.4 50.2 -56.6 -39.5 -10.1 54.0 30.4 105 105 A S H X> S+ 0 0 7 -3,-1.4 4,-1.3 1,-0.2 3,-0.6 0.690 92.8 76.6 -74.9 -19.7 -10.9 50.3 31.0 106 106 A Y H 3X S+ 0 0 2 -4,-0.8 4,-2.2 -3,-0.5 -1,-0.2 0.785 83.8 65.7 -61.8 -28.7 -12.1 50.0 27.4 107 107 A H H S+ 0 0 7 -3,-0.6 4,-2.4 -4,-0.4 -2,-0.2 0.834 107.8 53.9 -66.1 -36.3 -8.1 46.7 28.2 109 109 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 172,-0.2 0.894 111.0 47.5 -63.0 -40.7 -11.2 45.2 26.5 110 110 A L H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 111.0 49.3 -67.4 -46.0 -9.7 46.1 23.1 111 111 A Q H X S+ 0 0 46 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.938 111.5 50.1 -59.1 -47.5 -6.3 44.6 23.9 112 112 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.9 0.912 110.2 50.4 -52.9 -47.4 -8.0 41.4 25.1 113 113 A T H ><5S+ 0 0 27 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.904 106.2 55.2 -59.7 -44.3 -10.1 41.3 21.9 114 114 A R H 3<5S+ 0 0 141 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.664 105.1 54.9 -62.6 -19.1 -6.9 41.7 19.8 115 115 A H T <<5S- 0 0 61 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.264 129.5 -92.1-101.6 10.8 -5.4 38.6 21.5 116 116 A G T < 5S+ 0 0 63 -3,-1.8 2,-0.6 1,-0.1 -3,-0.2 0.582 96.7 111.6 92.3 12.4 -8.4 36.4 20.7 117 117 A F < - 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0 0 104 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.0 -0.618 66.8-136.8-115.8 170.6 -14.5 61.0 19.9 303 303 A S - 0 0 91 -2,-0.2 -171,-0.3 -173,-0.1 2,-0.2 -0.965 30.7-102.4-125.1 145.3 -15.6 63.1 22.9 304 304 A H - 0 0 24 -2,-0.4 2,-0.5 -175,-0.3 -170,-0.1 -0.441 31.7-151.3 -59.4 130.6 -18.6 62.9 25.2 305 305 A R - 0 0 156 -175,-0.2 2,-0.1 -2,-0.2 -175,-0.1 -0.953 13.2-160.9-107.5 121.1 -21.2 65.6 24.4 306 306 A G - 0 0 10 -2,-0.5 2,-1.7 1,-0.0 3,-0.2 -0.407 36.2 -89.0 -92.5 174.7 -23.3 66.6 27.4 307 307 A D > + 0 0 90 1,-0.2 3,-1.8 -2,-0.1 4,-0.2 -0.548 52.0 167.6 -86.9 77.2 -26.6 68.4 27.4 308 308 A Y T >> + 0 0 19 -2,-1.7 3,-1.6 1,-0.3 4,-0.7 0.656 62.7 80.1 -71.4 -16.3 -25.3 72.0 27.4 309 309 A D H 3> S+ 0 0 106 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.733 76.8 76.9 -57.6 -22.2 -28.7 73.5 26.6 310 310 A L H <> S+ 0 0 24 -3,-1.8 4,-3.0 1,-0.2 -1,-0.3 0.828 88.1 57.2 -60.0 -31.6 -29.3 73.0 30.4 311 311 A L H <> S+ 0 0 37 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.918 108.2 45.1 -63.4 -44.6 -27.2 76.1 30.9 312 312 A K H X S+ 0 0 151 -4,-0.7 4,-0.9 -3,-0.2 -2,-0.2 0.901 114.4 49.8 -65.1 -43.6 -29.5 78.2 28.7 313 313 A L H >X S+ 0 0 81 -4,-2.6 4,-1.7 1,-0.2 3,-1.5 0.969 110.4 48.7 -58.0 -53.5 -32.5 76.7 30.4 314 314 A N H 3X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.799 98.6 69.2 -62.0 -28.6 -31.2 77.4 33.9 315 315 A A H 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.836 107.8 37.9 -52.0 -38.2 -30.4 81.0 32.8 316 316 A D H << S+ 0 0 117 -3,-1.5 -2,-0.2 -4,-0.9 -1,-0.2 0.838 116.0 52.1 -79.2 -40.5 -34.3 81.5 32.7 317 317 A L H < S+ 0 0 104 -4,-1.7 2,-1.0 1,-0.1 -2,-0.2 0.763 90.0 87.0 -71.0 -27.5 -35.1 79.4 35.8 318 318 A S < 0 0 10 -4,-2.4 -1,-0.1 -5,-0.2 -131,-0.1 -0.667 360.0 360.0 -84.5 101.4 -32.6 81.2 38.1 319 319 A R 0 0 189 -2,-1.0 -111,-0.1 -111,-0.0 -114,-0.0 -0.910 360.0 360.0-140.0 360.0 -34.2 84.2 39.7