==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-98 1CKE . COMPND 2 MOLECULE: PROTEIN (CYTIDINE MONOPHOSPHATE KINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.BRIOZZO,B.GOLINELLI-PIMPANEAU . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.7 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 . 2 0.9 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 . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 1 1 1 0 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 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 . 0 0 0 0 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 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 3 A A 0 0 94 0, 0.0 2,-0.5 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 168.9 4.5 27.7 49.4 2 4 A I + 0 0 164 1,-0.1 118,-0.1 118,-0.1 117,-0.0 -0.904 360.0 71.8 137.3 -59.4 6.7 25.0 50.7 3 5 A A S S- 0 0 7 -2,-0.5 120,-0.2 116,-0.2 2,-0.1 -0.276 93.6-111.3 -69.1 133.6 6.7 23.0 47.4 4 6 A P - 0 0 29 0, 0.0 120,-1.8 0, 0.0 2,-0.4 -0.460 30.3-164.4 -68.2 141.4 8.8 24.7 44.6 5 7 A V E -a 124 0A 0 118,-0.2 136,-1.4 -2,-0.1 2,-0.5 -0.992 9.4-160.1-125.5 135.2 7.1 26.2 41.6 6 8 A I E -ab 125 141A 0 118,-2.9 120,-2.5 -2,-0.4 2,-0.4 -0.981 17.9-156.7-111.3 121.4 8.8 27.2 38.4 7 9 A T E -ab 126 142A 0 134,-2.0 136,-2.4 -2,-0.5 2,-0.5 -0.837 8.8-166.8-101.8 142.2 6.6 29.7 36.4 8 10 A I E +ab 127 143A 0 118,-2.6 120,-2.3 -2,-0.4 2,-0.3 -0.947 15.3 170.2-132.3 110.7 6.8 30.2 32.6 9 11 A D E +ab 128 144A 9 134,-2.3 136,-2.7 -2,-0.5 120,-0.2 -0.822 14.2 115.7-117.5 157.3 5.0 33.2 31.2 10 12 A G - 0 0 0 118,-1.0 136,-0.1 -2,-0.3 3,-0.1 -0.853 57.8 -59.6 161.1 168.6 5.2 34.7 27.8 11 13 A P > - 0 0 17 0, 0.0 3,-1.4 0, 0.0 5,-0.3 -0.089 66.2 -76.2 -70.5 170.3 3.2 35.5 24.7 12 14 A S T 3 S+ 0 0 87 1,-0.2 144,-0.1 2,-0.1 143,-0.1 -0.396 116.6 20.3 -63.1 133.7 1.4 33.1 22.4 13 15 A G T 3 S+ 0 0 15 -2,-0.1 -1,-0.2 142,-0.1 142,-0.2 0.542 84.9 119.1 80.9 12.1 3.7 31.1 20.1 14 16 A A S < S- 0 0 0 -3,-1.4 -2,-0.1 131,-0.1 176,-0.1 0.651 88.2-104.2 -84.7 -13.0 6.8 31.7 22.2 15 17 A G S > S+ 0 0 5 -4,-0.2 4,-2.4 -5,-0.1 5,-0.2 0.569 75.9 137.7 101.9 10.6 7.4 28.0 22.9 16 18 A K H > S+ 0 0 25 -5,-0.3 4,-3.3 1,-0.2 5,-0.3 0.897 72.1 54.4 -56.0 -40.9 6.2 27.9 26.5 17 19 A G H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.954 108.9 46.2 -57.9 -49.6 4.4 24.6 25.9 18 20 A T H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 116.4 45.7 -57.7 -47.5 7.5 22.9 24.6 19 21 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.921 112.0 50.4 -61.7 -52.9 9.6 24.2 27.5 20 22 A C H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.912 112.1 47.8 -57.7 -42.0 7.1 23.4 30.2 21 23 A K H X S+ 0 0 50 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.938 111.8 49.4 -66.7 -43.6 6.7 19.8 28.8 22 24 A A H X S+ 0 0 29 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.910 114.0 46.2 -60.8 -41.9 10.5 19.3 28.7 23 25 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 6,-0.3 0.902 111.2 49.9 -70.0 -40.2 11.0 20.6 32.2 24 26 A A H X>S+ 0 0 8 -4,-2.4 4,-1.1 -5,-0.2 5,-0.9 0.883 115.5 44.6 -66.9 -33.9 8.2 18.6 33.7 25 27 A E H <5S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.943 113.9 49.1 -74.7 -44.7 9.5 15.4 32.1 26 28 A A H <5S+ 0 0 52 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.941 124.2 30.1 -58.3 -47.4 13.2 16.1 33.0 27 29 A L H <5S- 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.626 99.0-132.4 -90.6 -13.4 12.4 16.8 36.7 28 30 A Q T <5 + 0 0 157 -4,-1.1 -3,-0.2 -5,-0.2 2,-0.2 0.865 56.1 144.3 57.7 49.5 9.4 14.6 36.9 29 31 A W < - 0 0 48 -5,-0.9 95,-0.2 -6,-0.3 -1,-0.2 -0.504 56.3 -80.7-107.4 174.0 7.3 17.3 38.6 30 32 A H E -c 124 0A 65 93,-2.5 95,-2.5 90,-0.3 2,-0.4 -0.404 44.7-141.0 -74.0 159.4 3.6 18.1 38.4 31 33 A L E -cD 125 69A 12 38,-0.5 38,-0.6 93,-0.2 2,-0.4 -0.948 16.8-174.8-126.8 135.9 2.4 20.2 35.4 32 34 A L E -c 126 0A 0 93,-2.6 95,-2.9 -2,-0.4 2,-0.7 -0.984 5.8-168.9-130.5 127.1 -0.2 23.0 35.1 33 35 A D E > -c 127 0A 38 -2,-0.4 4,-1.3 93,-0.2 3,-0.4 -0.889 2.4-172.0-111.0 100.7 -1.2 24.6 31.7 34 36 A S H > S+ 0 0 15 93,-2.5 4,-0.6 -2,-0.7 94,-0.2 0.796 82.2 60.9 -66.0 -26.5 -3.3 27.6 32.6 35 37 A G H 4 S+ 0 0 50 92,-0.4 4,-0.5 1,-0.2 3,-0.5 0.908 106.3 46.1 -65.4 -37.8 -4.3 28.1 29.0 36 38 A A H >> S+ 0 0 11 -3,-0.4 4,-2.2 1,-0.2 3,-0.7 0.788 94.9 82.3 -74.0 -28.1 -6.0 24.7 28.9 37 39 A I H 3X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.762 89.9 46.2 -46.8 -47.2 -7.8 25.3 32.3 38 40 A Y H 3X S+ 0 0 57 -4,-0.6 4,-2.0 -3,-0.5 -1,-0.2 0.830 112.8 51.1 -70.2 -32.6 -10.7 27.4 31.0 39 41 A R H <> S+ 0 0 79 -3,-0.7 4,-2.3 -4,-0.5 -2,-0.2 0.859 108.6 51.2 -70.0 -38.0 -11.4 25.0 28.1 40 42 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 110.3 49.4 -65.1 -44.8 -11.4 22.1 30.5 41 43 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 110.4 49.9 -56.9 -48.9 -13.9 23.9 32.7 42 44 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 112.1 49.8 -58.6 -38.9 -16.2 24.7 29.7 43 45 A L H X S+ 0 0 4 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.913 108.2 50.8 -68.9 -42.3 -16.0 20.9 28.7 44 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.923 110.5 50.5 -59.2 -43.9 -16.9 19.7 32.2 45 47 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-1.8 0.963 112.6 46.2 -58.4 -47.6 -19.9 22.1 32.1 46 48 A L H <5S+ 0 0 69 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.926 114.1 49.5 -59.7 -45.7 -21.0 20.7 28.7 47 49 A H H <5S+ 0 0 82 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 118.4 37.3 -63.7 -37.3 -20.4 17.2 29.9 48 50 A H H <5S- 0 0 95 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.540 108.6-117.4 -95.2 -4.5 -22.5 17.7 33.1 49 51 A H T <5 + 0 0 170 -4,-1.8 2,-0.4 -3,-0.4 -3,-0.2 0.858 56.0 160.3 69.9 35.5 -25.2 19.9 31.6 50 52 A V < - 0 0 33 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.792 50.0-106.0 -87.1 132.5 -24.2 22.9 33.8 51 53 A D > - 0 0 103 -2,-0.4 3,-1.9 1,-0.2 7,-0.2 -0.454 21.0-149.4 -67.8 115.3 -25.5 26.1 32.3 52 54 A V T 3 S+ 0 0 16 -2,-0.4 -1,-0.2 1,-0.3 -6,-0.0 0.634 95.6 53.1 -56.6 -21.7 -22.7 28.1 30.8 53 55 A A T 3 S+ 0 0 62 1,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.284 87.2 93.0 -98.1 -1.5 -24.4 31.4 31.5 54 56 A S <> - 0 0 37 -3,-1.9 4,-2.0 1,-0.2 3,-0.3 -0.844 50.2-174.4 -99.8 102.3 -25.0 30.7 35.2 55 57 A E H > S+ 0 0 44 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.913 86.6 55.7 -58.6 -39.7 -22.2 32.1 37.4 56 58 A D H 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.853 110.6 43.0 -63.1 -36.5 -23.8 30.4 40.5 57 59 A A H > S+ 0 0 43 -3,-0.3 4,-0.9 -6,-0.2 -1,-0.2 0.819 113.0 53.4 -78.0 -31.6 -23.8 26.9 38.9 58 60 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -7,-0.2 -2,-0.2 0.795 94.4 68.7 -75.9 -29.6 -20.2 27.3 37.5 59 61 A V H X S+ 0 0 29 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.942 102.6 41.7 -58.0 -51.6 -18.4 28.3 40.7 60 62 A P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.886 114.7 54.1 -64.9 -36.8 -18.7 24.9 42.6 61 63 A L H < S+ 0 0 28 -4,-0.9 4,-0.4 2,-0.2 3,-0.3 0.966 111.8 44.0 -60.4 -49.2 -17.9 23.2 39.3 62 64 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.915 111.6 52.7 -60.9 -47.5 -14.7 25.3 39.0 63 65 A S H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 116.5 39.1 -64.3 -25.0 -13.7 24.9 42.6 64 66 A H T 3< S+ 0 0 148 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.312 81.3 154.6-105.9 13.2 -13.9 21.1 42.5 65 67 A L < - 0 0 4 -3,-1.2 2,-1.1 -4,-0.4 -3,-0.1 -0.081 34.0-150.8 -52.0 121.6 -12.4 20.6 38.9 66 68 A D + 0 0 89 2,-0.0 15,-2.8 15,-0.0 2,-0.3 -0.710 42.3 134.3 -98.2 86.9 -10.9 17.2 38.5 67 69 A V E - E 0 80A 5 -2,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.985 27.4-178.7-133.4 151.1 -8.1 17.7 36.0 68 70 A R E - E 0 79A 148 11,-1.4 11,-2.3 -2,-0.3 2,-0.5 -0.968 17.5-141.7-146.3 147.7 -4.5 16.6 35.6 69 71 A F E -DE 31 78A 13 -38,-0.6 -38,-0.5 -2,-0.3 2,-0.4 -0.973 18.6-176.8-113.9 123.8 -1.9 17.3 32.9 70 72 A V E - E 0 77A 42 7,-2.4 7,-3.5 -2,-0.5 2,-0.5 -0.980 9.5-160.4-123.9 130.5 0.6 14.6 31.9 71 73 A S E + E 0 76A 17 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.946 11.7 176.5-113.3 121.6 3.4 15.0 29.4 72 74 A T E > S- E 0 75A 66 3,-2.8 3,-1.3 -2,-0.5 -2,-0.0 -0.959 75.7 -21.6-126.8 115.8 4.9 11.8 27.8 73 75 A N T 3 S- 0 0 138 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.869 129.5 -49.5 56.6 32.0 7.6 12.2 25.2 74 76 A G T 3 S+ 0 0 29 1,-0.3 2,-0.5 -53,-0.2 -1,-0.3 0.606 112.7 122.2 84.9 7.1 6.3 15.8 24.5 75 77 A N E < -E 72 0A 108 -3,-1.3 -3,-2.8 -54,-0.1 2,-0.5 -0.932 53.1-146.9-108.1 121.0 2.7 14.7 24.2 76 78 A L E -E 71 0A 47 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.777 8.7-163.8 -89.2 123.5 0.3 16.4 26.6 77 79 A E E -E 70 0A 82 -7,-3.5 -7,-2.4 -2,-0.5 2,-0.7 -0.953 6.1-155.4-105.9 133.9 -2.6 14.3 27.9 78 80 A V E -E 69 0A 3 -2,-0.5 7,-3.0 -9,-0.2 2,-0.7 -0.922 11.9-162.8-110.0 102.8 -5.5 16.4 29.5 79 81 A I E -EF 68 84A 13 -11,-2.3 -11,-1.4 -2,-0.7 2,-0.6 -0.786 7.3-173.8 -93.5 107.7 -7.3 14.0 31.9 80 82 A L E > S-EF 67 83A 5 3,-2.5 3,-2.2 -2,-0.7 -13,-0.2 -0.910 76.6 -21.7-104.5 118.4 -10.8 15.3 32.9 81 83 A E T 3 S- 0 0 74 -15,-2.8 -1,-0.2 -2,-0.6 -14,-0.1 0.911 131.1 -49.1 49.3 46.5 -12.4 13.1 35.6 82 84 A G T 3 S+ 0 0 52 -3,-0.3 2,-0.4 -16,-0.2 -1,-0.3 0.234 118.3 100.0 82.5 -13.4 -10.2 10.3 34.5 83 85 A E E < S-F 80 0A 137 -3,-2.2 -3,-2.5 2,-0.0 2,-0.3 -0.856 75.4-114.9-108.9 143.6 -10.6 10.3 30.7 84 86 A D E +F 79 0A 84 -2,-0.4 -5,-0.2 -5,-0.2 4,-0.1 -0.595 36.9 169.5 -73.8 129.8 -8.2 11.9 28.2 85 87 A V > + 0 0 7 -7,-3.0 4,-1.8 -2,-0.3 -1,-0.1 -0.010 31.9 125.0-127.9 24.1 -9.9 14.8 26.5 86 88 A S H > S+ 0 0 34 1,-0.2 4,-0.6 -8,-0.2 -1,-0.1 0.875 78.1 47.1 -57.4 -35.3 -7.0 16.4 24.7 87 89 A G H >4 S+ 0 0 56 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.950 108.1 54.0 -69.0 -50.7 -8.8 16.2 21.4 88 90 A E H >4 S+ 0 0 82 1,-0.2 3,-1.3 2,-0.2 6,-0.3 0.832 102.1 60.5 -49.5 -38.8 -12.1 17.6 22.6 89 91 A I H 3< S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.748 94.1 62.8 -70.1 -18.6 -10.4 20.8 24.1 90 92 A R T << S+ 0 0 99 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.536 80.0 109.8 -88.5 0.1 -9.0 21.9 20.8 91 93 A T S <> S- 0 0 57 -3,-1.3 4,-1.9 -4,-0.3 5,-0.1 -0.248 73.5-127.9 -76.1 157.8 -12.4 22.4 19.2 92 94 A Q H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 109.3 59.1 -71.7 -32.8 -13.8 25.9 18.4 93 95 A E H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.833 107.5 43.7 -63.0 -44.9 -17.0 25.0 20.2 94 96 A V H > S+ 0 0 2 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.896 112.3 54.4 -69.8 -35.8 -15.1 24.4 23.5 95 97 A A H X S+ 0 0 8 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.882 109.2 49.1 -63.4 -34.3 -13.0 27.6 22.9 96 98 A N H X S+ 0 0 93 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.904 110.7 47.2 -72.9 -41.6 -16.3 29.5 22.5 97 99 A A H X S+ 0 0 7 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.881 107.8 59.5 -66.2 -34.1 -17.9 28.1 25.7 98 100 A A H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.845 102.9 51.7 -62.3 -36.5 -14.5 28.9 27.5 99 101 A S H < S+ 0 0 82 -4,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.859 110.2 48.3 -69.6 -36.0 -15.0 32.5 26.6 100 102 A Q H >< S+ 0 0 106 -4,-1.2 3,-1.1 -3,-0.2 4,-0.4 0.930 112.6 47.9 -66.9 -47.6 -18.5 32.6 28.1 101 103 A V H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.893 108.1 55.9 -59.7 -40.8 -17.3 30.9 31.3 102 104 A A T 3< S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.560 88.9 77.1 -70.2 -12.6 -14.3 33.3 31.6 103 105 A A T < S+ 0 0 68 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.823 77.7 87.4 -69.7 -26.8 -16.6 36.4 31.5 104 106 A F <> - 0 0 50 -3,-1.1 4,-2.1 -4,-0.4 3,-0.3 -0.608 67.0-149.5 -85.5 123.7 -17.7 35.9 35.2 105 107 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.870 97.7 50.0 -55.4 -45.0 -15.7 37.4 38.1 106 108 A R H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 109.6 51.9 -68.3 -30.3 -16.6 34.6 40.6 107 109 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.927 108.6 49.7 -70.3 -42.5 -15.6 31.9 38.2 108 110 A R H X S+ 0 0 110 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.894 112.2 48.8 -63.9 -35.5 -12.2 33.4 37.5 109 111 A E H X S+ 0 0 90 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.879 109.8 51.3 -70.0 -38.2 -11.6 33.7 41.3 110 112 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.921 111.3 47.7 -64.6 -42.3 -12.7 30.1 41.8 111 113 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.807 105.7 59.1 -68.6 -28.5 -10.2 29.0 39.1 112 114 A L H X S+ 0 0 43 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.952 110.3 42.6 -63.9 -45.9 -7.5 31.1 40.7 113 115 A R H X S+ 0 0 141 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.894 112.9 53.3 -64.7 -42.9 -7.9 29.1 43.9 114 116 A R H < S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.1 48.2 -60.6 -39.3 -8.1 25.8 41.9 115 117 A Q H >< S+ 0 0 12 -4,-2.3 3,-1.7 1,-0.2 4,-0.2 0.884 106.7 55.6 -70.6 -37.7 -4.8 26.5 40.0 116 118 A R H >< S+ 0 0 105 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.839 97.0 68.9 -64.6 -26.7 -2.9 27.4 43.3 117 119 A A T 3< S+ 0 0 56 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.524 82.7 71.4 -67.7 -7.2 -4.1 23.9 44.5 118 120 A F T < + 0 0 15 -3,-1.7 2,-1.2 -4,-0.1 -1,-0.3 0.584 68.8 106.2 -80.9 -15.0 -1.7 22.2 42.0 119 121 A R < + 0 0 42 -3,-1.6 2,-0.3 -4,-0.2 -116,-0.2 -0.619 49.5 129.1 -71.5 98.2 1.3 23.3 44.1 120 122 A E > - 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