==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 07-MAY-97 2EZC . COMPND 2 MOLECULE: PHOSPHOTRANSFERASE SYSTEM, ENZYME I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.CLORE,N.TJANDRA,D.S.GARRETT,A.M.GRONENBORN . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.2 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 . 1 0.4 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 . 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 1 0 1 0 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 2 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 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 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 0 195 0, 0.0 2,-0.7 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 35.5 19.2 4.4 16.4 2 2 A I - 0 0 31 225,-0.4 2,-0.6 1,-0.1 225,-0.2 -0.368 360.0-160.3 -58.1 103.4 15.9 3.6 14.8 3 3 A S + 0 0 97 -2,-0.7 2,-0.1 223,-0.1 223,-0.1 -0.788 20.8 160.9 -93.1 120.2 15.5 -0.1 15.8 4 4 A G - 0 0 16 -2,-0.6 201,-0.1 221,-0.2 178,-0.1 -0.346 55.8 -89.9-117.7-160.2 13.1 -2.1 13.6 5 5 A I - 0 0 72 -2,-0.1 197,-0.1 180,-0.1 -2,-0.0 0.595 54.8-136.2 -93.5 -10.0 12.5 -5.8 12.9 6 6 A L - 0 0 55 2,-0.1 196,-0.2 1,-0.0 -3,-0.0 0.841 18.2-163.5 56.9 107.5 15.0 -5.8 10.0 7 7 A A - 0 0 13 194,-2.2 195,-0.2 1,-0.4 -1,-0.0 0.926 68.7 -10.9 -87.5 -53.6 13.5 -7.8 7.1 8 8 A S B S-A 201 0A 24 193,-1.1 193,-1.0 2,-0.1 -1,-0.4 -0.998 73.3-111.4-147.0 146.2 16.7 -8.4 5.0 9 9 A P + 0 0 99 0, 0.0 214,-0.2 0, 0.0 213,-0.2 -0.410 55.2 117.6 -77.3 153.4 20.2 -6.9 5.2 10 10 A G - 0 0 25 211,-0.6 2,-0.5 212,-0.5 213,-0.1 -0.335 53.0-123.8 151.7 124.1 21.6 -4.6 2.4 11 11 A I + 0 0 38 232,-0.1 2,-0.3 -2,-0.1 210,-0.2 -0.730 35.7 173.3 -89.4 129.0 22.9 -1.0 2.3 12 12 A A E -B 220 0A 15 208,-1.8 208,-1.8 -2,-0.5 2,-0.4 -0.977 20.1-149.7-135.2 149.2 21.1 1.2 -0.2 13 13 A F E +B 219 0A 46 -2,-0.3 2,-0.3 206,-0.2 206,-0.2 -0.935 36.0 124.4-117.9 140.1 21.2 5.0 -0.9 14 14 A G E -B 218 0A 10 204,-1.5 204,-1.7 -2,-0.4 142,-0.2 -0.962 56.8 -81.6 178.6 163.5 18.2 7.0 -2.3 15 15 A K E -Bc 217 156A 93 140,-0.7 142,-2.7 -2,-0.3 2,-0.4 -0.459 52.4-103.1 -78.6 151.7 15.9 10.1 -1.8 16 16 A A E - c 0 157A 1 200,-3.9 199,-5.1 140,-0.2 2,-0.7 -0.608 28.2-163.5 -78.2 129.3 13.0 9.7 0.6 17 17 A L E - c 0 158A 45 140,-1.0 142,-1.6 -2,-0.4 2,-0.4 -0.819 11.2-164.8-111.8 90.8 9.5 9.3 -1.1 18 18 A L E - c 0 159A 26 -2,-0.7 2,-1.0 140,-0.1 142,-0.2 -0.630 10.0-147.4 -81.4 128.7 7.0 10.1 1.6 19 19 A L + 0 0 33 140,-1.4 142,-0.3 -2,-0.4 2,-0.2 -0.749 24.0 177.7 -96.9 94.0 3.4 8.9 0.8 20 20 A K - 0 0 133 -2,-1.0 2,-0.4 140,-0.1 140,-0.0 -0.613 14.1-151.4 -93.1 156.3 1.0 11.4 2.4 21 21 A E - 0 0 123 -2,-0.2 2,-0.3 126,-0.0 3,-0.0 -0.990 12.5-129.8-131.0 131.3 -2.8 11.2 2.0 22 22 A D - 0 0 134 -2,-0.4 2,-0.0 1,-0.1 0, 0.0 -0.576 34.7-106.7 -78.9 138.6 -5.2 14.1 2.0 23 23 A E - 0 0 160 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.358 34.0-124.9 -63.2 140.7 -8.2 13.6 4.4 24 24 A I - 0 0 31 -3,-0.0 2,-0.7 120,-0.0 -1,-0.1 -0.749 16.2-153.2 -91.7 133.0 -11.4 12.9 2.5 25 25 A V - 0 0 109 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.889 11.2-155.4-106.6 112.0 -14.4 15.1 3.2 26 26 A I - 0 0 37 -2,-0.7 2,-0.9 1,-0.1 76,-0.0 -0.547 20.7-116.1 -85.1 152.2 -17.8 13.4 2.6 27 27 A D + 0 0 65 -2,-0.2 75,-0.3 1,-0.1 72,-0.3 -0.754 31.6 176.1 -90.9 107.5 -20.9 15.4 1.8 28 28 A R + 0 0 138 -2,-0.9 2,-0.3 73,-0.1 -1,-0.1 0.097 41.5 123.7 -95.5 24.6 -23.5 15.0 4.6 29 29 A K - 0 0 162 1,-0.0 2,-0.5 69,-0.0 70,-0.3 -0.622 65.5-122.1 -85.8 144.0 -25.8 17.5 2.9 30 30 A K - 0 0 155 -2,-0.3 68,-0.1 68,-0.1 67,-0.1 -0.726 29.4-150.9 -86.7 124.0 -29.4 16.4 2.1 31 31 A I - 0 0 24 66,-0.7 2,-0.3 -2,-0.5 -1,-0.0 -0.335 15.3-108.6 -87.2 174.9 -30.1 16.8 -1.7 32 32 A S >> - 0 0 41 1,-0.1 3,-2.6 -2,-0.1 4,-0.9 -0.686 30.6-107.5-100.8 156.4 -33.4 17.6 -3.4 33 33 A A H 3> S+ 0 0 61 1,-0.3 4,-0.5 -2,-0.3 -1,-0.1 0.657 119.6 68.1 -57.9 -8.4 -35.4 15.0 -5.5 34 34 A D H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.737 104.5 38.5 -83.9 -21.3 -34.2 17.2 -8.4 35 35 A Q H <> S+ 0 0 84 -3,-2.6 4,-1.4 2,-0.1 -2,-0.2 0.432 94.2 86.2-105.9 -1.4 -30.5 16.2 -7.9 36 36 A V H >X S+ 0 0 10 -4,-0.9 4,-1.8 1,-0.2 3,-0.6 0.951 83.8 57.7 -64.9 -44.8 -31.3 12.6 -7.1 37 37 A D H 3X S+ 0 0 119 -4,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.886 105.1 53.1 -52.3 -36.5 -31.4 11.7 -10.8 38 38 A Q H 3> S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.869 102.1 58.0 -69.5 -34.3 -27.8 13.0 -10.9 39 39 A E H S+ 0 0 116 -4,-1.6 4,-1.4 2,-0.2 5,-1.0 0.950 115.9 50.2 -66.6 -44.8 -25.7 8.6 -13.1 42 42 A R H <5S+ 0 0 107 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.893 124.1 32.2 -61.4 -34.0 -22.8 9.9 -11.0 43 43 A F H X5S+ 0 0 6 -4,-2.8 4,-0.7 -5,-0.3 -2,-0.2 0.931 121.5 47.5 -86.4 -54.4 -22.9 6.6 -9.1 44 44 A L H >X5S+ 0 0 81 -4,-4.6 3,-2.0 -5,-0.4 4,-0.9 0.979 124.6 31.2 -51.0 -66.8 -24.0 4.3 -11.9 45 45 A S H >X5S+ 0 0 51 -4,-1.4 4,-1.0 -5,-0.4 3,-1.0 0.883 114.4 62.8 -63.2 -30.1 -21.6 5.6 -14.5 46 46 A G H 3>X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 3,-0.7 0.990 109.4 38.2 -73.5 -68.4 -10.1 1.0 -11.5 54 54 A L H 3X S+ 0 0 10 -4,-1.8 4,-3.5 1,-0.3 5,-0.2 0.920 112.9 61.3 -48.9 -42.5 -9.8 -2.2 -9.5 55 55 A E H 3X S+ 0 0 88 -4,-1.5 4,-2.0 -5,-0.4 5,-0.3 0.945 104.9 46.7 -50.6 -48.8 -9.9 -4.0 -12.9 56 56 A T H S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.5 5,-0.8 0.857 114.4 39.8 -75.7 -32.9 -1.6 -8.1 -9.6 62 62 A G H <5S+ 0 0 12 -4,-1.2 5,-0.3 3,-0.2 -2,-0.2 0.803 119.2 45.5 -85.7 -28.8 -1.5 -11.0 -12.0 63 63 A E H <5S+ 0 0 154 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.669 118.8 44.5 -86.4 -15.0 1.1 -9.4 -14.3 64 64 A T H <5S+ 0 0 57 -4,-1.0 -2,-0.2 -5,-0.3 -3,-0.2 0.897 138.0 5.1 -92.8 -51.4 3.2 -8.3 -11.3 65 65 A F T <5S- 0 0 77 -4,-1.7 -3,-0.2 -5,-0.3 3,-0.1 0.653 116.1 -94.9-106.9 -21.8 3.2 -11.5 -9.1 66 66 A G >>< - 0 0 24 -5,-0.8 3,-2.1 -6,-0.1 4,-0.8 -0.309 46.9 -66.5 120.9 153.6 1.4 -13.9 -11.5 67 67 A E H 3> S+ 0 0 149 -5,-0.3 4,-0.9 1,-0.3 -5,-0.1 0.642 118.9 84.9 -48.9 -8.6 -2.2 -15.1 -12.0 68 68 A E H 34 S+ 0 0 155 1,-0.2 -1,-0.3 -6,-0.2 3,-0.2 0.928 98.3 31.6 -63.9 -42.6 -1.7 -16.6 -8.5 69 69 A K H X> S+ 0 0 84 -3,-2.1 4,-1.2 -8,-0.3 3,-0.6 0.588 103.7 79.1 -90.8 -10.0 -2.6 -13.4 -6.7 70 70 A E H 3X S+ 0 0 27 -4,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.845 84.2 62.4 -67.0 -31.0 -5.1 -12.3 -9.4 71 71 A A H 3X S+ 0 0 63 -4,-0.9 4,-1.4 -3,-0.2 -1,-0.2 0.827 99.6 55.5 -65.3 -27.9 -7.8 -14.7 -8.0 72 72 A I H <> S+ 0 0 83 -3,-0.6 4,-1.2 -4,-0.2 -1,-0.2 0.930 111.3 41.3 -72.0 -42.6 -7.8 -12.8 -4.7 73 73 A F H X S+ 0 0 13 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.743 105.6 68.5 -76.7 -19.2 -8.5 -9.4 -6.3 74 74 A E H >X S+ 0 0 111 -4,-1.6 4,-1.2 1,-0.2 3,-0.9 0.968 103.1 41.9 -64.1 -49.3 -11.0 -11.1 -8.7 75 75 A G H 3X S+ 0 0 40 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.867 105.1 66.5 -66.1 -32.4 -13.4 -11.8 -5.8 76 76 A H H 3X S+ 0 0 24 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.812 100.7 50.7 -60.6 -24.4 -12.7 -8.3 -4.4 77 77 A I H < S+ 0 0 52 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.927 112.3 44.7 -57.3 -42.5 -18.1 -7.6 -3.7 80 80 A L H 3< S+ 0 0 19 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.9 42.9 -69.1 -41.5 -18.0 -4.2 -5.3 81 81 A E H 3< S+ 0 0 97 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.364 82.6 143.2 -85.4 8.4 -20.2 -5.3 -8.2 82 82 A D S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.774 97.0 55.1 -67.6 -22.7 -26.0 -6.7 -7.0 84 84 A E H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.952 105.4 47.2 -76.8 -49.5 -27.2 -6.7 -3.4 85 85 A L H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.722 112.5 56.4 -64.3 -15.3 -25.0 -3.9 -2.1 86 86 A E H X S+ 0 0 45 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.917 101.8 50.3 -82.9 -46.4 -26.1 -2.0 -5.2 87 87 A Q H X S+ 0 0 131 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.853 111.5 51.5 -62.4 -30.2 -29.9 -2.2 -4.6 88 88 A E H X S+ 0 0 102 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.941 110.4 47.2 -73.3 -43.6 -29.3 -0.9 -1.0 89 89 A I H X S+ 0 0 10 -4,-1.2 4,-2.2 -5,-0.2 5,-0.2 0.986 114.7 47.0 -59.1 -57.0 -27.2 2.1 -2.2 90 90 A I H X S+ 0 0 52 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.967 112.6 47.7 -48.9 -66.2 -29.8 3.0 -4.9 91 91 A A H >X S+ 0 0 49 -4,-1.9 4,-5.0 1,-0.2 3,-0.6 0.929 109.3 53.8 -43.1 -58.9 -32.8 2.8 -2.6 92 92 A L H 3X S+ 0 0 25 -4,-2.1 4,-2.8 1,-0.3 6,-0.9 0.939 106.2 52.2 -45.9 -54.3 -31.2 4.8 0.2 93 93 A I H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.906 122.6 32.2 -50.9 -41.2 -30.4 7.7 -2.3 94 94 A K H << S+ 0 0 96 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.847 126.8 39.7 -85.8 -38.5 -34.1 7.7 -3.3 95 95 A D H < S+ 0 0 109 -4,-5.0 -3,-0.2 -5,-0.3 -2,-0.2 0.896 130.6 25.2 -82.2 -40.2 -35.7 6.6 -0.0 96 96 A K S < S- 0 0 107 -4,-2.8 -3,-0.2 -5,-0.5 -1,-0.2 0.210 100.6-122.5-108.0 16.5 -33.6 8.6 2.5 97 97 A H + 0 0 86 -5,-0.4 -66,-0.7 1,-0.2 2,-0.3 0.924 56.6 161.9 44.8 48.8 -32.5 11.4 0.0 98 98 A M - 0 0 36 -6,-0.9 2,-0.2 -68,-0.1 -1,-0.2 -0.756 42.7-112.1-100.7 147.5 -28.9 10.5 0.8 99 99 A T >> - 0 0 6 -2,-0.3 4,-3.1 -70,-0.3 5,-0.6 -0.509 27.2-115.7 -75.7 143.8 -26.0 11.5 -1.5 100 100 A A H >5S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.825 121.6 53.7 -49.1 -25.6 -24.3 8.6 -3.3 101 101 A D H >5S+ 0 0 5 2,-0.2 4,-1.2 3,-0.2 -1,-0.3 0.949 116.0 34.9 -74.6 -49.0 -21.3 9.7 -1.1 102 102 A A H >5S+ 0 0 4 -75,-0.3 4,-1.9 -3,-0.2 3,-0.4 0.971 121.1 46.5 -70.5 -53.6 -23.2 9.5 2.1 103 103 A A H X5S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.3 3,-0.3 0.946 110.0 54.8 -55.7 -46.7 -25.4 6.5 1.2 104 104 A A H XX S+ 0 0 17 -4,-1.5 4,-2.1 1,-0.2 3,-0.6 0.966 116.6 48.2 -65.2 -49.0 -23.2 0.3 3.5 108 108 A I H 3X S+ 0 0 35 -4,-1.8 4,-1.3 1,-0.2 5,-0.4 0.751 105.3 63.9 -63.1 -19.3 -19.4 0.4 3.9 109 109 A E H 3X S+ 0 0 115 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.901 109.7 35.2 -73.9 -37.5 -20.0 1.5 7.5 110 110 A G H < S+ 0 0 43 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.894 106.1 52.6 -64.1 -37.3 -19.7 -5.7 11.3 115 115 A L H >< S+ 0 0 31 -4,-1.4 3,-1.7 -5,-0.3 -1,-0.2 0.856 100.3 62.6 -68.3 -29.6 -16.5 -7.7 10.5 116 116 A E H 3< S+ 0 0 108 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.716 92.8 65.5 -67.5 -15.9 -14.9 -6.1 13.6 117 117 A E T << S+ 0 0 156 -3,-1.1 -1,-0.3 -4,-0.6 2,-0.3 0.619 86.2 89.1 -81.4 -9.1 -17.5 -7.8 15.7 118 118 A L S < S- 0 0 74 -3,-1.7 2,-0.8 -4,-0.3 -3,-0.0 -0.629 76.5-137.9 -87.4 146.5 -16.0 -11.2 14.7 119 119 A D + 0 0 150 -2,-0.3 2,-0.3 5,-0.0 -3,-0.1 -0.463 69.6 99.7-100.6 62.7 -13.2 -12.7 16.9 120 120 A D > - 0 0 72 -2,-0.8 4,-3.1 1,-0.1 5,-0.4 -0.873 64.2-147.4-150.1 113.5 -10.9 -13.9 14.0 121 121 A E H > S+ 0 0 123 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.691 102.0 61.7 -53.6 -12.3 -7.8 -12.0 12.7 122 122 A Y H > S+ 0 0 139 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.971 113.2 27.2 -79.7 -62.2 -8.9 -13.6 9.4 123 123 A L H > S+ 0 0 42 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.827 122.5 56.7 -71.0 -27.5 -12.3 -12.0 8.9 124 124 A K H >X S+ 0 0 77 -4,-3.1 3,-1.9 1,-0.2 4,-1.1 0.978 105.2 48.1 -68.1 -52.5 -11.2 -9.0 10.9 125 125 A E H 3X S+ 0 0 130 -4,-1.0 4,-1.5 -5,-0.4 -1,-0.2 0.802 105.1 62.4 -59.3 -20.9 -8.2 -8.2 8.7 126 126 A R H 3X S+ 0 0 78 -4,-0.9 4,-2.8 1,-0.2 -1,-0.3 0.831 91.9 65.7 -72.6 -27.0 -10.7 -8.6 5.9 127 127 A A H X S+ 0 0 144 -4,-3.1 4,-2.3 -5,-0.3 3,-1.1 0.924 105.5 59.7 -57.5 -40.0 -13.0 -0.8 4.0 132 132 A D H 3X S+ 0 0 27 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.903 101.0 53.3 -56.3 -39.3 -10.0 -0.2 1.6 133 133 A I H 3X S+ 0 0 12 -4,-1.0 4,-1.3 -3,-0.5 -1,-0.3 0.773 109.1 52.5 -68.5 -20.6 -12.3 -1.0 -1.3 134 134 A G H X S+ 0 0 14 -4,-1.3 4,-1.9 1,-0.2 3,-0.7 0.933 109.9 48.3 -53.6 -45.1 -15.2 3.9 -4.1 138 138 A L H 3X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 5,-0.5 0.991 103.2 57.7 -60.4 -60.2 -15.5 7.4 -2.5 139 139 A R H 3<>S+ 0 0 24 -4,-2.3 5,-0.7 1,-0.2 -1,-0.2 0.748 109.2 51.9 -44.0 -20.2 -12.5 8.9 -4.3 140 140 A N H X<5S+ 0 0 15 -4,-1.0 3,-0.8 -3,-0.7 -1,-0.2 0.927 108.2 44.8 -85.4 -49.9 -14.4 7.9 -7.4 141 141 A I H 3<5S+ 0 0 25 -4,-1.9 -2,-0.2 -3,-0.3 -3,-0.1 0.891 121.5 41.3 -61.9 -35.4 -17.8 9.5 -6.6 142 142 A L T 3<5S- 0 0 47 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.522 103.5-134.6 -88.5 -4.4 -16.0 12.7 -5.5 143 143 A G T < 5 + 0 0 61 -3,-0.8 -3,-0.2 -5,-0.5 -4,-0.1 0.801 46.7 167.4 57.7 22.5 -13.6 12.4 -8.4 144 144 A L < - 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0 0 17 -3,-1.6 3,-2.2 -5,-0.2 4,-1.7 -0.566 47.8-119.1 -80.2 143.0 3.6 -7.7 7.6 189 189 A H H 3> S+ 0 0 59 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.943 116.1 58.7 -45.9 -55.4 2.7 -8.0 3.9 190 190 A T H 3> S+ 0 0 2 -27,-0.3 4,-1.5 1,-0.3 -1,-0.3 0.809 106.9 52.2 -46.9 -25.9 5.4 -5.5 3.0 191 191 A S H <> S+ 0 0 0 -3,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.927 98.7 59.3 -78.9 -45.9 7.7 -8.0 4.6 192 192 A I H X S+ 0 0 83 -4,-1.7 4,-2.4 -3,-0.4 5,-0.2 0.869 108.7 48.3 -52.5 -32.6 6.5 -11.1 2.6 193 193 A M H X S+ 0 0 8 -4,-1.7 4,-3.5 2,-0.2 6,-0.3 0.970 109.6 49.8 -71.5 -51.9 7.5 -9.2 -0.5 194 194 A A H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.827 113.6 49.7 -55.3 -29.7 10.9 -8.3 0.9 195 195 A R H >< S+ 0 0 112 -4,-2.6 3,-0.6 2,-0.2 -1,-0.2 0.953 115.7 38.3 -76.9 -50.9 11.3 -12.0 1.8 196 196 A S H 3< S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.883 122.1 44.8 -68.7 -35.3 10.3 -13.5 -1.6 197 197 A L T 3< S- 0 0 63 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.478 96.9-145.3 -87.1 1.5 12.2 -10.7 -3.4 198 198 A E < + 0 0 161 -3,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.582 51.3 142.4 49.2 3.7 15.1 -11.2 -1.0 199 199 A L - 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