==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 01-JAN-97 1EZC . COMPND 2 MOLECULE: ENZYME I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.S.GARRETT,A.M.GRONENBORN,G.M.CLORE . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 46.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 3 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 0 211 0, 0.0 2,-0.8 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 2.3 19.5 6.7 15.7 2 2 A I B -A 227 0A 45 225,-0.6 225,-0.7 204,-0.0 2,-0.6 -0.794 360.0-169.6 -91.9 112.4 16.4 5.4 14.0 3 3 A S + 0 0 82 -2,-0.8 223,-0.2 223,-0.2 2,-0.1 -0.900 9.3 175.0-106.0 120.0 16.4 1.6 14.7 4 4 A G - 0 0 11 -2,-0.6 201,-0.1 221,-0.3 178,-0.0 -0.225 46.9 -90.3-105.2-161.0 13.8 -0.4 12.6 5 5 A I - 0 0 92 -2,-0.1 197,-0.1 0, 0.0 -2,-0.0 0.460 51.6-129.7 -96.0 1.3 13.2 -4.2 12.4 6 6 A L - 0 0 65 1,-0.1 196,-0.2 2,-0.1 -3,-0.0 0.923 27.6-174.8 51.8 93.4 15.6 -4.8 9.4 7 7 A A + 0 0 30 194,-2.6 195,-0.2 1,-0.3 -1,-0.1 0.830 69.2 5.2 -88.8 -34.1 13.6 -6.8 6.8 8 8 A S B S-D 201 0B 6 193,-1.4 193,-1.1 2,-0.1 -1,-0.3 -0.989 76.2-117.8-149.8 140.9 16.5 -7.4 4.4 9 9 A P + 0 0 102 0, 0.0 2,-0.2 0, 0.0 214,-0.2 -0.489 61.2 92.7 -78.3 147.0 20.3 -6.7 4.5 10 10 A G - 0 0 25 211,-0.5 2,-0.4 212,-0.4 -2,-0.1 -0.865 62.1-106.1 153.2 173.7 21.9 -4.3 1.9 11 11 A I + 0 0 52 -2,-0.2 2,-0.3 211,-0.1 210,-0.2 -0.994 33.8 171.0-132.1 136.4 22.8 -0.6 1.3 12 12 A A E -B 220 0A 7 208,-2.5 208,-2.3 -2,-0.4 2,-0.4 -0.982 17.1-153.5-142.3 155.9 20.9 1.9 -0.9 13 13 A F E +B 219 0A 28 -2,-0.3 2,-0.3 206,-0.2 206,-0.2 -0.984 35.9 114.7-128.4 140.2 21.1 5.7 -1.5 14 14 A G E -B 218 0A 15 204,-1.5 204,-1.7 -2,-0.4 142,-0.1 -0.971 61.1 -69.4 175.4 172.0 18.2 7.9 -2.8 15 15 A K E -B 217 0A 96 140,-0.4 142,-2.0 -2,-0.3 2,-0.6 -0.415 53.0-106.7 -76.0 156.1 15.7 10.7 -2.1 16 16 A A E -e 157 0B 1 200,-2.6 199,-2.5 197,-0.2 2,-0.9 -0.722 28.5-155.4 -84.5 122.9 12.9 10.2 0.4 17 17 A L E -e 158 0B 53 140,-1.4 142,-1.9 -2,-0.6 2,-0.5 -0.836 11.0-164.0-100.2 107.0 9.6 9.8 -1.4 18 18 A L E -e 159 0B 30 -2,-0.9 2,-0.7 140,-0.1 142,-0.2 -0.766 8.9-146.3 -91.0 131.4 6.9 10.8 1.1 19 19 A L - 0 0 43 140,-1.1 2,-0.4 -2,-0.5 142,-0.3 -0.851 17.9-172.4 -99.5 118.0 3.4 9.8 0.2 20 20 A K - 0 0 165 -2,-0.7 2,-0.3 140,-0.1 -2,-0.0 -0.907 2.2-173.5-110.2 136.1 0.8 12.4 1.4 21 21 A E - 0 0 86 -2,-0.4 2,-0.3 126,-0.0 3,-0.0 -0.951 27.1-115.1-128.6 151.2 -3.0 11.7 1.2 22 22 A D - 0 0 124 -2,-0.3 122,-0.0 1,-0.1 -2,-0.0 -0.640 39.0-112.4 -81.5 135.6 -6.0 13.9 1.8 23 23 A E - 0 0 173 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.343 29.5-120.0 -63.7 147.9 -8.1 12.6 4.8 24 24 A I - 0 0 37 -3,-0.0 2,-0.5 120,-0.0 -1,-0.1 -0.791 27.5-162.9 -93.2 125.5 -11.5 11.3 3.7 25 25 A V - 0 0 97 -2,-0.6 2,-0.4 2,-0.0 -2,-0.0 -0.910 6.4-147.7-110.0 130.0 -14.4 13.2 5.4 26 26 A I - 0 0 29 -2,-0.5 2,-0.6 75,-0.1 112,-0.0 -0.751 14.9-129.0 -95.0 141.4 -17.9 11.7 5.4 27 27 A D - 0 0 88 -2,-0.4 72,-0.2 1,-0.1 75,-0.2 -0.769 16.4-168.6 -90.5 122.7 -21.0 14.0 5.3 28 28 A R + 0 0 189 -2,-0.6 2,-0.2 70,-0.1 -1,-0.1 0.231 45.6 124.7 -94.5 17.0 -23.5 13.2 8.1 29 29 A K - 0 0 170 1,-0.1 2,-0.5 69,-0.0 70,-0.3 -0.536 61.8-128.5 -74.8 140.4 -26.2 15.4 6.6 30 30 A K - 0 0 173 -2,-0.2 68,-0.2 68,-0.1 2,-0.1 -0.758 23.6-145.8 -91.0 129.6 -29.5 13.6 6.0 31 31 A I - 0 0 22 66,-0.8 2,-0.2 -2,-0.5 -1,-0.0 -0.476 11.6-118.3 -89.3 166.2 -30.8 14.0 2.4 32 32 A S >> - 0 0 62 -2,-0.1 3,-1.5 1,-0.1 4,-1.0 -0.544 37.0 -95.0 -96.8 167.2 -34.5 14.2 1.3 33 33 A A H 3> S+ 0 0 67 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.712 120.4 71.3 -55.3 -15.2 -36.3 11.8 -1.0 34 34 A D H 34 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.898 105.4 33.6 -70.3 -39.6 -35.4 14.3 -3.8 35 35 A Q H <> S+ 0 0 110 -3,-1.5 4,-1.4 1,-0.2 3,-0.2 0.529 95.1 88.4 -94.6 -4.7 -31.7 13.5 -3.8 36 36 A V H X S+ 0 0 10 -4,-1.0 4,-1.6 1,-0.2 3,-0.4 0.925 83.3 58.1 -59.7 -41.4 -32.0 9.8 -2.9 37 37 A D H X S+ 0 0 107 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.907 102.6 54.5 -56.1 -40.1 -32.3 8.9 -6.6 38 38 A Q H > S+ 0 0 117 -4,-0.3 4,-2.4 -3,-0.2 5,-0.3 0.897 101.4 58.7 -63.2 -36.1 -28.9 10.6 -7.2 39 39 A E H X S+ 0 0 4 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.928 103.5 52.2 -60.2 -42.1 -27.3 8.4 -4.6 40 40 A V H X S+ 0 0 36 -4,-1.6 4,-3.7 2,-0.2 5,-0.5 0.941 109.9 48.1 -61.0 -46.0 -28.4 5.2 -6.5 41 41 A E H X>S+ 0 0 115 -4,-1.7 4,-3.2 2,-0.2 5,-0.5 0.963 115.1 44.0 -61.2 -50.0 -26.8 6.4 -9.7 42 42 A R H X5S+ 0 0 109 -4,-2.4 4,-2.1 3,-0.2 -1,-0.2 0.925 121.1 41.5 -62.4 -41.0 -23.5 7.4 -8.1 43 43 A F H X5S+ 0 0 9 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.978 121.6 39.5 -70.3 -55.3 -23.5 4.2 -6.1 44 44 A L H X5S+ 0 0 78 -4,-3.7 4,-1.0 -5,-0.3 -3,-0.2 0.949 123.3 41.5 -60.3 -47.7 -24.7 1.9 -8.9 45 45 A S H X5S+ 0 0 63 -4,-3.2 4,-1.4 -5,-0.5 3,-0.4 0.911 110.3 58.6 -68.7 -38.2 -22.5 3.7 -11.5 46 46 A G H XX S+ 0 0 81 -4,-1.8 4,-1.4 -3,-0.2 3,-0.6 0.932 105.6 54.4 -63.1 -41.7 -7.4 -4.8 -13.6 57 57 A I H 3X S+ 0 0 17 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.882 96.7 66.6 -60.1 -36.3 -5.3 -4.8 -10.5 58 58 A K H 3X S+ 0 0 37 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.912 102.2 47.0 -53.0 -42.6 -6.2 -8.5 -9.9 59 59 A T H X - 0 0 29 -4,-0.7 3,-1.3 -5,-0.4 4,-1.2 -0.238 47.8 -56.7 100.0 168.0 2.0 -15.3 -9.5 67 67 A E H 3> S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.751 120.9 79.9 -57.9 -20.5 -1.4 -17.0 -8.9 68 68 A E H 34 S+ 0 0 148 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.924 104.7 30.8 -55.5 -42.0 -0.4 -17.3 -5.2 69 69 A K H <> S+ 0 0 27 -3,-1.3 4,-1.5 -8,-0.3 3,-0.4 0.762 108.2 70.7 -88.4 -25.2 -1.4 -13.7 -4.6 70 70 A E H X S+ 0 0 46 -4,-1.2 4,-2.6 -9,-0.3 5,-0.2 0.884 91.3 60.4 -60.0 -37.3 -4.1 -13.5 -7.2 71 71 A A H X S+ 0 0 60 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.900 102.1 52.1 -60.6 -38.4 -6.4 -15.8 -5.1 72 72 A I H > S+ 0 0 64 -3,-0.4 4,-1.4 -4,-0.4 -1,-0.2 0.946 114.0 42.1 -65.2 -44.0 -6.4 -13.3 -2.2 73 73 A F H X S+ 0 0 16 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.877 108.3 60.9 -70.6 -34.5 -7.5 -10.4 -4.5 74 74 A E H X S+ 0 0 111 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.904 104.0 49.9 -60.5 -38.5 -10.0 -12.6 -6.4 75 75 A G H X S+ 0 0 37 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.922 106.4 55.0 -67.9 -41.2 -11.9 -13.2 -3.2 76 76 A H H X S+ 0 0 21 -4,-1.4 4,-1.6 1,-0.2 3,-0.3 0.927 104.7 53.6 -59.4 -43.2 -12.1 -9.4 -2.3 77 77 A I H X S+ 0 0 17 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 102.5 59.1 -60.5 -37.2 -13.7 -8.6 -5.7 78 78 A M H X S+ 0 0 142 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.911 101.4 54.6 -59.3 -39.8 -16.4 -11.2 -5.0 79 79 A L H >< S+ 0 0 42 -4,-1.5 3,-1.2 -3,-0.3 -1,-0.2 0.958 108.7 47.5 -59.6 -48.2 -17.4 -9.3 -1.8 80 80 A L H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.904 116.2 44.9 -60.4 -39.7 -17.9 -6.1 -3.8 81 81 A E H 3< S+ 0 0 71 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.480 81.2 128.1 -83.6 -1.5 -19.9 -7.9 -6.5 82 82 A D S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.739 96.1 59.4 -64.4 -16.6 -25.6 -9.3 -4.9 84 84 A E H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.951 103.6 45.5 -77.5 -50.1 -26.4 -9.4 -1.2 85 85 A L H > S+ 0 0 22 1,-0.2 4,-2.5 -6,-0.2 5,-0.2 0.912 110.5 55.5 -62.1 -39.5 -24.3 -6.5 -0.0 86 86 A E H X S+ 0 0 43 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.942 107.5 49.1 -59.8 -45.7 -25.4 -4.3 -2.9 87 87 A Q H X S+ 0 0 130 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.914 110.9 50.3 -62.7 -40.0 -29.1 -4.8 -2.0 88 88 A E H X S+ 0 0 100 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.970 109.7 49.4 -64.8 -48.3 -28.5 -3.9 1.7 89 89 A I H X S+ 0 0 18 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.934 110.9 51.1 -55.8 -44.2 -26.6 -0.7 0.8 90 90 A I H X S+ 0 0 48 -4,-2.2 4,-1.9 -5,-0.2 5,-0.3 0.913 108.8 51.5 -60.4 -41.6 -29.4 0.3 -1.5 91 91 A A H X>S+ 0 0 48 -4,-2.1 4,-4.1 1,-0.2 5,-0.5 0.904 105.2 55.4 -64.7 -40.5 -32.0 -0.3 1.3 92 92 A L H X5S+ 0 0 27 -4,-2.3 4,-2.3 3,-0.2 6,-0.8 0.932 108.0 48.9 -60.9 -42.3 -30.1 1.8 3.8 93 93 A I H X5S+ 0 0 0 -4,-1.7 4,-0.6 -5,-0.2 5,-0.3 0.965 123.2 31.8 -62.2 -49.7 -30.1 4.8 1.5 94 94 A K H <5S+ 0 0 94 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.859 126.4 42.6 -78.0 -35.4 -33.9 4.5 0.8 95 95 A D H <5S+ 0 0 104 -4,-4.1 -3,-0.2 -5,-0.3 -2,-0.2 0.910 130.5 23.4 -79.1 -42.1 -34.9 3.1 4.2 96 96 A K H < - 0 0 12 -70,-0.3 4,-3.4 -2,-0.3 5,-0.3 -0.272 32.4-109.2 -71.3 163.0 -26.0 9.2 1.6 100 100 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 120.3 46.9 -62.5 -39.8 -24.2 6.6 -0.5 101 101 A D H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.935 118.0 41.8 -68.5 -42.8 -20.9 7.3 1.3 102 102 A A H > S+ 0 0 21 2,-0.2 4,-1.5 -75,-0.2 -2,-0.2 0.949 116.2 47.6 -69.4 -48.1 -22.5 7.2 4.7 103 103 A A H X S+ 0 0 0 -4,-3.4 4,-1.4 1,-0.2 3,-0.2 0.937 110.3 53.2 -60.0 -44.3 -24.7 4.2 4.0 104 104 A A H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.3 5,-0.3 0.910 103.8 56.9 -58.8 -41.3 -21.7 2.3 2.6 105 105 A H H X S+ 0 0 67 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.908 100.6 58.5 -60.1 -38.6 -19.7 2.9 5.7 106 106 A E H X S+ 0 0 80 -4,-1.5 4,-1.2 -3,-0.2 -1,-0.2 0.961 108.0 44.1 -58.1 -49.5 -22.3 1.3 7.9 107 107 A V H >X S+ 0 0 19 -4,-1.4 4,-2.2 1,-0.2 3,-0.9 0.972 115.8 47.4 -60.7 -49.5 -22.1 -2.0 6.0 108 108 A I H 3X S+ 0 0 30 -4,-2.1 4,-2.4 1,-0.2 5,-0.5 0.864 100.8 68.8 -60.1 -32.7 -18.3 -1.9 6.0 109 109 A E H 3X S+ 0 0 119 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.908 110.4 32.4 -54.8 -40.8 -18.4 -1.1 9.7 110 110 A G H < S+ 0 0 41 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.919 104.3 51.2 -62.0 -41.9 -16.8 -9.0 12.2 115 115 A L H >< S+ 0 0 18 -4,-1.4 3,-1.3 -5,-0.3 -1,-0.2 0.852 102.0 61.9 -66.4 -29.4 -13.6 -10.3 10.7 116 116 A E H 3< S+ 0 0 138 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 91.8 66.3 -67.0 -23.7 -11.6 -8.9 13.7 117 117 A E T << S+ 0 0 157 -4,-0.9 2,-0.3 -3,-0.9 -1,-0.3 0.710 87.8 83.2 -71.6 -15.4 -13.6 -11.2 16.0 118 118 A L S < S- 0 0 77 -3,-1.3 2,-0.0 -4,-0.4 0, 0.0 -0.681 73.6-146.1 -88.4 141.1 -12.0 -14.2 14.3 119 119 A D + 0 0 147 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 -0.126 60.7 113.6 -98.1 40.8 -8.5 -15.2 15.6 120 120 A D > - 0 0 63 1,-0.1 4,-3.5 -2,-0.0 5,-0.4 -0.905 66.9-135.8-112.4 138.6 -7.1 -16.4 12.2 121 121 A E H > S+ 0 0 112 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.886 107.8 45.2 -58.6 -36.6 -4.2 -14.6 10.4 122 122 A Y H > S+ 0 0 121 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.966 118.2 40.3 -73.6 -51.1 -6.1 -14.9 7.1 123 123 A L H > S+ 0 0 34 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.941 119.0 47.7 -64.0 -43.1 -9.5 -13.8 8.4 124 124 A K H >X S+ 0 0 86 -4,-3.5 4,-1.2 1,-0.2 3,-0.9 0.967 113.6 46.0 -63.0 -50.2 -8.0 -11.1 10.7 125 125 A E H 3X S+ 0 0 69 -4,-1.9 4,-2.4 -5,-0.4 5,-0.2 0.865 106.3 61.3 -61.5 -30.5 -5.8 -9.7 7.9 126 126 A R H 3X S+ 0 0 71 -4,-2.0 4,-3.1 1,-0.2 -1,-0.3 0.858 95.2 62.8 -64.7 -29.6 -8.8 -9.9 5.6 127 127 A A H S+ 0 0 16 -4,-1.9 5,-2.4 1,-0.2 4,-0.3 0.874 112.2 47.6 -60.6 -33.8 -12.8 8.1 -2.4 140 140 A N H ><5S+ 0 0 19 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.912 106.9 55.0 -74.0 -43.1 -14.7 7.3 -5.6 141 141 A I H 3<5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 112.9 42.8 -59.9 -37.3 -18.1 8.3 -4.3 142 142 A L T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.538 114.4-117.0 -86.2 -4.8 -16.8 11.8 -3.4 143 143 A G T < 5 + 0 0 61 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.761 54.0 165.4 77.1 23.4 -14.8 12.1 -6.7 144 144 A L < - 0 0 54 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.523 40.0-114.3 -73.5 137.5 -11.5 12.3 -4.9 145 145 A K - 0 0 176 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.373 26.3-132.6 -68.4 149.8 -8.5 11.7 -7.3 146 146 A I - 0 0 55 -2,-0.0 2,-0.4 -6,-0.0 -1,-0.1 -0.846 17.5-118.7-104.1 140.4 -6.5 8.5 -6.7 147 147 A I - 0 0 80 -2,-0.4 2,-1.0 1,-0.1 3,-0.1 -0.607 20.4-146.8 -77.3 128.2 -2.7 8.6 -6.6 148 148 A D > - 0 0 108 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 -0.806 18.4-179.8 -96.8 100.1 -1.2 6.4 -9.4 149 149 A L G > S+ 0 0 16 -2,-1.0 3,-0.8 1,-0.2 23,-0.4 0.685 73.9 71.4 -75.6 -15.5 2.0 5.1 -7.8 150 150 A S G 3 S+ 0 0 58 1,-0.2 -1,-0.2 21,-0.1 -2,-0.0 0.501 83.2 73.0 -78.2 -1.4 2.8 3.1 -11.0 151 151 A A G < + 0 0 74 -3,-1.0 -1,-0.2 21,-0.0 2,-0.2 0.111 64.8 135.8 -99.3 22.4 3.6 6.4 -12.8 152 152 A I < + 0 0 31 -3,-0.8 24,-0.1 1,-0.1 3,-0.1 -0.500 24.5 173.3 -72.0 135.8 6.9 7.0 -11.0 153 153 A Q + 0 0 155 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.452 57.2 72.6-121.7 -6.8 9.7 8.2 -13.3 154 154 A D S S- 0 0 105 21,-0.0 2,-0.7 2,-0.0 -1,-0.1 -0.920 81.5-124.1-112.7 135.5 12.5 8.9 -10.8 155 155 A E + 0 0 147 -2,-0.4 -140,-0.4 21,-0.1 2,-0.3 -0.647 56.3 133.8 -78.9 114.0 14.4 6.2 -9.0 156 156 A V E - 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