==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-10 2XAM . COMPND 2 MOLECULE: INOSITOL-PENTAKISPHOSPHATE 2-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR B.GONZALEZ,J.I.BANOS-SANZ,M.VILLATE,C.A.BREARLEY,J.SANZ- APA . 843 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.5 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 . 1 0.1 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 . 51 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 6 0 4 0 1 2 2 7 1 2 0 0 2 0 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 2 0 4 6 7 1 0 2 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 . 2 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 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 M 0 0 172 0, 0.0 97,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -67.1 41.1 73.4 16.1 2 4 A I E -a 98 0A 96 95,-0.1 2,-0.4 129,-0.0 97,-0.3 -0.925 360.0-139.5-107.6 132.7 44.6 73.2 17.6 3 5 A L E -a 99 0A 6 95,-2.6 97,-1.6 -2,-0.4 100,-0.3 -0.757 25.8-159.1 -84.4 136.0 46.0 75.8 20.0 4 6 A E >> - 0 0 88 -2,-0.4 3,-2.3 95,-0.1 4,-0.7 -0.749 31.5 -96.8-117.2 164.3 49.6 76.7 19.4 5 7 A E G >4 S+ 0 0 103 1,-0.3 3,-1.5 -2,-0.3 4,-0.4 0.840 121.2 53.5 -40.8 -49.3 52.4 78.2 21.4 6 8 A K G 34 S+ 0 0 178 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.646 100.4 61.9 -70.8 -15.3 51.9 81.7 20.0 7 9 A D G X4 S+ 0 0 62 -3,-2.3 3,-2.3 1,-0.2 -1,-0.3 0.687 82.7 83.5 -78.5 -21.9 48.2 81.6 21.0 8 10 A A G X< S+ 0 0 0 -3,-1.5 3,-2.1 -4,-0.7 -1,-0.2 0.857 78.9 64.0 -49.1 -41.7 49.3 81.2 24.7 9 11 A S G 3 S+ 0 0 78 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.650 92.7 64.5 -64.4 -13.5 49.7 85.0 25.0 10 12 A D G < S+ 0 0 59 -3,-2.3 16,-3.3 -4,-0.1 17,-0.6 0.416 90.0 77.7 -90.2 2.2 45.9 85.4 24.5 11 13 A W E < -B 25 0A 3 -3,-2.1 2,-0.4 14,-0.2 14,-0.2 -0.944 62.3-165.4-115.2 131.9 45.0 83.6 27.7 12 14 A I E -B 24 0A 83 12,-3.3 12,-3.0 -2,-0.4 99,-0.1 -0.922 33.3 -92.5-119.4 140.7 45.2 85.2 31.1 13 15 A Y E +B 23 0A 18 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.151 45.1 164.5 -47.4 134.3 45.0 83.5 34.5 14 16 A R E - 0 0 41 8,-2.2 2,-0.3 1,-0.4 228,-0.2 0.622 54.3 -70.5-118.6 -44.3 41.5 83.4 35.9 15 17 A G E -B 22 0A 12 7,-2.1 7,-3.2 226,-0.1 -1,-0.4 -0.980 38.2-140.7 170.7-176.5 41.8 80.8 38.7 16 18 A E E -B 21 0A 14 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.960 2.1-160.8-164.9 153.8 42.2 77.2 39.8 17 19 A G - 0 0 29 3,-1.4 5,-0.0 -2,-0.3 -2,-0.0 -0.145 59.0 -69.4-109.1-145.5 41.0 74.6 42.2 18 20 A G S S+ 0 0 26 -2,-0.1 3,-0.1 1,-0.1 23,-0.0 0.678 129.7 32.4 -83.9 -17.7 42.8 71.3 43.1 19 21 A A S S+ 0 0 36 1,-0.2 22,-3.1 21,-0.1 2,-0.3 0.776 114.5 38.5-110.9 -36.7 42.2 69.7 39.7 20 22 A N E - C 0 40A 11 20,-0.3 -3,-1.4 105,-0.1 2,-0.5 -0.910 55.1-141.6-129.3 151.0 42.1 72.4 37.0 21 23 A L E -BC 16 39A 1 18,-3.4 18,-3.1 -2,-0.3 2,-0.5 -0.899 25.8-157.5 -99.9 131.3 43.8 75.6 35.8 22 24 A V E -BC 15 38A 31 -7,-3.2 -8,-2.2 -2,-0.5 -7,-2.1 -0.957 10.0-174.7-120.8 122.5 41.3 78.1 34.3 23 25 A L E -BC 13 37A 0 14,-2.3 14,-2.8 -2,-0.5 2,-0.3 -0.912 16.2-138.4-117.0 140.1 42.3 80.9 31.9 24 26 A A E -BC 12 36A 5 -12,-3.0 -12,-3.3 -2,-0.4 2,-0.3 -0.698 25.5-113.6 -94.9 147.9 40.2 83.7 30.5 25 27 A Y E +B 11 0A 33 10,-1.9 9,-0.3 -2,-0.3 -14,-0.2 -0.632 33.1 172.0 -84.0 134.3 40.5 84.7 26.8 26 28 A A + 0 0 63 -16,-3.3 -15,-0.2 -2,-0.3 -1,-0.1 0.332 49.4 90.0-121.1 6.4 41.9 88.2 26.1 27 29 A G S S- 0 0 21 -17,-0.6 -2,-0.0 2,-0.1 -20,-0.0 0.109 78.4-110.8 -92.2-157.7 42.2 88.1 22.3 28 30 A S + 0 0 108 5,-0.1 5,-0.1 4,-0.0 -1,-0.0 0.568 65.1 125.4-113.5 -18.2 40.1 88.9 19.3 29 31 A S >> - 0 0 37 1,-0.2 3,-2.0 2,-0.1 4,-1.8 -0.261 58.1-141.9 -53.4 118.2 39.4 85.5 17.7 30 32 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 114,-0.1 0.739 98.7 69.5 -52.9 -19.8 35.6 85.3 17.4 31 33 A L T 34 S+ 0 0 117 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.850 111.9 22.7 -64.7 -36.6 36.2 81.7 18.4 32 34 A F T X4 S+ 0 0 22 -3,-2.0 3,-2.4 3,-0.1 -7,-0.3 0.587 83.0 125.8-115.8 -10.9 37.2 82.4 22.0 33 35 A V T 3< S+ 0 0 79 -4,-1.8 111,-0.2 1,-0.3 3,-0.1 -0.278 86.5 15.4 -49.8 122.8 35.7 85.7 22.8 34 36 A G T 3 S+ 0 0 14 1,-0.3 103,-2.8 -9,-0.3 2,-0.3 0.615 108.0 112.7 83.1 13.8 33.7 85.2 26.0 35 37 A K E < - D 0 136A 48 -3,-2.4 -10,-1.9 101,-0.2 2,-0.3 -0.791 50.2-155.6-114.5 159.4 35.3 81.8 26.8 36 38 A V E -CD 24 135A 10 99,-1.9 99,-1.9 -2,-0.3 2,-0.4 -0.862 18.9-133.9-117.6 161.6 37.6 80.4 29.5 37 39 A I E -CD 23 134A 1 -14,-2.8 -14,-2.3 -2,-0.3 2,-0.5 -0.972 12.3-151.5-118.9 133.6 39.8 77.4 28.9 38 40 A R E -CD 22 133A 30 95,-3.7 95,-2.3 -2,-0.4 2,-0.5 -0.929 14.6-173.3-111.7 121.9 39.9 74.7 31.6 39 41 A I E -C 21 0A 5 -18,-3.1 -18,-3.4 -2,-0.5 93,-0.1 -0.956 20.1-127.8-126.5 119.2 43.1 72.7 31.8 40 42 A Q E -C 20 0A 26 -2,-0.5 86,-2.3 -20,-0.2 -20,-0.3 -0.281 21.7-140.9 -63.1 140.2 43.7 69.6 34.0 41 43 A K E -F 125 0B 19 -22,-3.1 2,-0.6 84,-0.3 84,-0.3 -0.652 11.6-124.4 -96.2 157.0 46.7 69.5 36.3 42 44 A A E -F 124 0B 41 82,-3.8 82,-1.4 -2,-0.2 2,-0.5 -0.924 25.3-141.2 -98.0 120.3 48.9 66.6 37.1 43 45 A R E -F 123 0B 78 -2,-0.6 80,-0.2 80,-0.2 79,-0.1 -0.721 2.6-150.5 -83.4 126.3 49.0 66.0 40.8 44 46 A R S S+ 0 0 78 78,-1.8 -1,-0.1 -2,-0.5 79,-0.1 0.806 100.1 56.3 -66.5 -30.1 52.5 65.0 42.1 45 47 A N 0 0 56 77,-0.4 -1,-0.2 1,-0.1 78,-0.1 0.947 360.0 360.0 -57.2 -47.2 50.9 63.0 44.9 46 48 A D 0 0 157 558,-0.0 -1,-0.1 0, 0.0 558,-0.0 -0.531 360.0 360.0 -75.7 360.0 49.0 61.1 42.1 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 59 A S 0 0 156 0, 0.0 3,-0.2 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -46.5 44.0 54.0 31.5 49 60 A V + 0 0 36 1,-0.3 2,-0.4 18,-0.2 17,-0.1 0.816 360.0 18.9 -80.9 -32.5 41.1 56.5 31.5 50 61 A L S S- 0 0 5 15,-0.1 -1,-0.3 17,-0.1 5,-0.0 -0.996 81.8-123.7-139.9 131.0 39.1 54.3 33.9 51 62 A T > - 0 0 79 -2,-0.4 4,-1.9 -3,-0.2 5,-0.2 -0.165 36.5-105.0 -61.8 168.8 40.2 51.6 36.2 52 63 A S H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.897 123.4 53.3 -64.4 -41.3 38.5 48.2 35.8 53 64 A D H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 107.6 52.2 -61.0 -37.2 36.5 48.8 39.0 54 65 A E H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.896 105.5 51.8 -68.8 -39.7 35.4 52.2 37.6 55 66 A Q H < S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.843 110.6 51.5 -64.6 -30.5 34.1 50.7 34.3 56 67 A H H >< S+ 0 0 62 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.910 110.2 48.8 -66.5 -44.0 32.2 48.3 36.5 57 68 A L H 3< S+ 0 0 4 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.889 118.0 37.5 -64.1 -42.9 30.8 51.3 38.5 58 69 A W T >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 -0.048 76.0 127.8-102.8 30.3 29.7 53.3 35.4 59 70 A R T < + 0 0 118 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.822 67.8 61.0 -58.8 -34.2 28.5 50.2 33.4 60 71 A E T 3 S+ 0 0 128 -3,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.742 99.9 60.0 -64.0 -23.0 25.1 51.8 32.8 61 72 A N <> + 0 0 32 -3,-1.8 4,-1.1 1,-0.2 -1,-0.2 -0.805 65.0 172.8-111.5 89.3 26.8 54.7 31.0 62 73 A N H > S+ 0 0 102 -2,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.827 75.6 53.4 -71.5 -35.8 28.7 53.2 28.0 63 74 A E H 4 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.887 109.2 53.3 -63.1 -36.6 29.9 56.3 26.3 64 75 A L H >4 S+ 0 0 0 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.797 107.0 49.1 -69.7 -33.8 31.4 57.3 29.5 65 76 A I H 3< S+ 0 0 27 -4,-1.1 -1,-0.2 -7,-0.2 -2,-0.2 0.751 110.8 51.4 -81.1 -21.1 33.3 54.1 30.0 66 77 A S T 3< S+ 0 0 67 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.122 74.8 140.6-101.5 18.9 34.8 54.2 26.5 67 78 A S < - 0 0 2 -3,-0.7 -18,-0.2 1,-0.2 -17,-0.1 -0.477 47.3-147.8 -63.5 127.2 36.1 57.8 26.7 68 79 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.635 77.0 13.0 -74.1 -15.8 39.5 58.0 25.0 69 80 A N S > S- 0 0 28 1,-0.1 4,-2.0 -20,-0.0 5,-0.1 -0.964 79.2-104.4-153.4 171.3 40.6 60.7 27.4 70 81 A K H > S+ 0 0 96 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.774 116.3 58.4 -72.1 -26.5 39.9 62.4 30.7 71 82 A E H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 109.8 43.7 -66.5 -45.1 38.6 65.6 28.9 72 83 A V H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.865 110.9 56.7 -65.6 -37.1 36.0 63.5 27.1 73 84 A L H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.963 110.7 41.6 -57.5 -54.7 35.2 61.6 30.3 74 85 A E H X S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.930 114.5 53.6 -58.0 -45.7 34.4 64.8 32.2 75 86 A Q H X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.891 114.4 39.8 -58.4 -42.0 32.5 66.1 29.2 76 87 A R H X S+ 0 0 76 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.804 110.8 58.8 -80.3 -29.0 30.3 63.0 29.0 77 88 A Y H X>S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-1.6 0.972 111.2 41.2 -61.0 -53.4 29.9 62.7 32.8 78 89 A V H <>S+ 0 0 13 -4,-2.5 5,-3.1 3,-0.2 -2,-0.2 0.909 120.2 44.3 -60.7 -44.8 28.3 66.2 32.9 79 90 A Q H <5S+ 0 0 100 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.870 126.9 27.1 -70.1 -38.8 26.3 65.7 29.8 80 91 A N H <5S+ 0 0 71 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.680 133.5 25.0-102.6 -21.2 25.0 62.1 30.5 81 92 A V T <5S+ 0 0 14 -4,-2.8 -3,-0.2 -5,-0.4 -4,-0.1 0.798 126.8 33.7-111.0 -45.1 25.0 61.9 34.3 82 93 A I T >>> S+ 0 0 98 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.520 104.0 80.3 -89.4 -6.7 20.4 71.5 31.1 89 100 A K T 3 S+ 0 0 141 1,-0.2 -2,-0.1 -3,-0.1 297,-0.1 0.867 102.5 32.6 -70.6 -36.2 19.5 75.2 31.6 90 101 A H T 3 S+ 0 0 22 -3,-0.3 298,-3.0 -4,-0.2 2,-0.4 0.225 109.9 79.9-105.3 14.0 22.1 75.9 34.3 91 102 A V B < -g 388 0C 15 -3,-0.6 2,-0.5 296,-0.2 298,-0.1 -0.973 50.7-169.0-131.6 137.5 24.8 73.5 33.0 92 103 A D - 0 0 45 296,-0.5 -14,-0.0 -2,-0.4 -13,-0.0 -0.968 6.0-167.7-124.1 116.3 27.5 73.6 30.3 93 104 A A - 0 0 15 -2,-0.5 -15,-0.1 1,-0.1 -1,-0.1 0.757 40.6-137.7 -73.6 -24.9 29.3 70.4 29.3 94 105 A G - 0 0 8 39,-0.1 2,-0.4 2,-0.0 41,-0.2 0.150 7.7 -94.0 86.9 156.8 31.9 72.4 27.3 95 106 A V E - E 0 134A 97 39,-2.3 39,-2.6 -3,-0.0 2,-0.1 -0.921 35.1-122.9-110.5 134.9 33.5 71.8 23.9 96 107 A R E - E 0 133A 93 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.419 25.7-167.0 -72.4 148.4 36.9 70.0 23.6 97 108 A V E - E 0 132A 9 35,-2.0 35,-2.1 -2,-0.1 2,-0.2 -0.997 23.0-117.0-139.2 134.4 39.8 71.8 21.9 98 109 A S E -aE 2 131A 51 -97,-1.5 -95,-2.6 -2,-0.4 2,-0.4 -0.493 33.0-171.7 -69.6 132.4 43.0 70.4 20.7 99 110 A V E -a 3 0A 7 31,-2.2 2,-0.2 -97,-0.3 -95,-0.1 -0.954 16.2-132.4-124.4 145.6 46.1 71.8 22.4 100 111 A S > - 0 0 20 -97,-1.6 4,-2.0 -2,-0.4 3,-0.3 -0.605 26.4-112.7 -93.5 160.1 49.7 71.3 21.5 101 112 A K H > S+ 0 0 112 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.889 118.2 51.6 -58.4 -41.2 52.4 70.4 24.1 102 113 A E H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 105.4 55.7 -68.0 -32.6 54.1 73.8 23.6 103 114 A F H > S+ 0 0 0 -100,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.961 111.5 44.0 -59.5 -51.1 50.8 75.6 24.1 104 115 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.945 114.5 48.7 -58.3 -51.3 50.4 73.9 27.5 105 116 A E H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.913 112.4 48.3 -56.6 -46.9 54.0 74.4 28.5 106 117 A C H X S+ 0 0 45 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.883 112.2 48.7 -63.7 -41.9 53.9 78.1 27.5 107 118 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.942 110.2 50.9 -62.6 -48.5 50.6 78.7 29.5 108 119 A D H X S+ 0 0 18 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.932 115.8 42.7 -54.6 -47.2 51.9 76.9 32.6 109 120 A K H < S+ 0 0 156 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.888 112.1 55.2 -66.7 -40.3 55.1 79.1 32.4 110 121 A K H < S+ 0 0 78 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.866 116.3 33.6 -62.1 -40.4 53.1 82.2 31.6 111 122 A V H >X S+ 0 0 1 -4,-2.3 3,-2.8 1,-0.2 4,-0.9 0.645 87.4 101.9 -94.0 -15.5 50.7 82.1 34.6 112 123 A T G >< S+ 0 0 54 -4,-1.3 3,-1.1 -5,-0.3 -1,-0.2 0.800 80.6 51.9 -35.5 -49.0 53.1 80.6 37.1 113 124 A K G 34 S+ 0 0 197 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.659 106.2 52.8 -73.4 -16.3 53.8 83.9 38.9 114 125 A Q G <4 S+ 0 0 111 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.563 94.5 95.1 -90.9 -8.6 50.1 84.7 39.4 115 126 A R S << S- 0 0 7 -3,-1.1 127,-0.1 -4,-0.9 2,-0.1 -0.539 88.1-100.3 -83.5 143.8 49.5 81.3 41.0 116 127 A P >> - 0 0 10 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.401 32.6-124.6 -56.9 137.8 49.6 80.7 44.8 117 128 A L H 3> S+ 0 0 65 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.877 109.4 52.0 -53.8 -44.1 52.9 79.2 45.8 118 129 A W H 3> S+ 0 0 46 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.790 106.2 54.0 -68.8 -27.5 51.3 76.1 47.4 119 130 A R H <> S+ 0 0 31 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.873 109.3 49.2 -71.8 -36.9 49.3 75.4 44.3 120 131 A V H < S+ 0 0 11 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.927 108.6 52.5 -64.9 -45.8 52.5 75.4 42.3 121 132 A N H < S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 114.8 43.8 -53.9 -38.3 54.2 73.1 44.8 122 133 A A H < S- 0 0 28 -4,-1.4 -78,-1.8 1,-0.2 -77,-0.4 0.809 121.2 -5.1 -83.2 -34.4 51.3 70.6 44.5 123 134 A A E < -F 43 0B 4 -4,-1.9 2,-0.3 -80,-0.2 -1,-0.2 -0.997 47.0-161.5-164.0 152.2 50.5 70.5 40.8 124 135 A N E -F 42 0B 43 -82,-1.4 -82,-3.8 -2,-0.3 2,-0.1 -0.866 47.9 -70.8-131.9 169.9 51.1 71.6 37.2 125 136 A V E -F 41 0B 7 -2,-0.3 2,-1.2 -84,-0.3 -84,-0.3 -0.394 49.9-119.8 -60.8 128.0 49.4 71.5 33.9 126 137 A D > - 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