==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JUL-00 1E58 . COMPND 2 MOLECULE: PHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.S.BOND,W.N.HUNTER . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.9 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 . 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 1 1 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 99 0, 0.0 2,-0.3 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 17.4 57.5 3.9 40.3 2 2 A V - 0 0 65 214,-0.0 2,-0.4 217,-0.0 216,-0.2 -0.745 360.0-141.5 -75.7 139.2 56.2 6.6 38.1 3 3 A T E -A 217 0A 33 214,-2.1 214,-2.4 -2,-0.3 2,-0.4 -0.883 11.7-146.0-105.1 132.4 52.4 6.3 37.6 4 4 A K E -A 216 0A 81 -2,-0.4 174,-0.6 212,-0.2 2,-0.4 -0.851 12.5-171.5-103.0 140.7 50.9 7.1 34.1 5 5 A L E -Ab 215 178A 0 210,-2.2 210,-2.8 -2,-0.4 2,-0.5 -0.980 10.4-153.3-121.5 135.7 47.5 8.7 33.4 6 6 A V E -Ab 214 179A 0 172,-1.9 174,-2.4 -2,-0.4 2,-0.4 -0.970 9.5-171.9-116.3 128.2 46.1 8.9 29.9 7 7 A L E +Ab 213 180A 2 206,-2.8 206,-2.6 -2,-0.5 2,-0.4 -0.902 4.6 180.0-109.0 141.0 43.6 11.7 28.9 8 8 A V E - b 0 181A 2 172,-2.4 174,-2.3 -2,-0.4 2,-0.2 -0.952 20.9-140.8-145.5 124.7 41.8 11.7 25.5 9 9 A R E - b 0 182A 52 199,-0.5 201,-1.9 202,-0.4 174,-0.2 -0.587 45.3 -89.3 -70.0 143.0 39.3 14.2 24.2 10 10 A X - 0 0 1 172,-2.4 200,-0.4 -2,-0.2 52,-0.2 -0.102 49.3 -98.3 -46.5 146.4 36.4 12.6 22.1 11 11 A G - 0 0 0 50,-0.5 22,-0.2 198,-0.2 23,-0.1 -0.207 66.8 -57.8 -57.7 158.8 37.0 12.2 18.4 12 12 A E - 0 0 36 20,-0.2 18,-2.4 197,-0.1 21,-0.4 -0.148 61.1-142.9 -43.9 129.6 35.5 14.9 16.2 13 13 A S B > -F 29 0B 0 16,-0.3 4,-2.2 -3,-0.2 16,-0.3 -0.518 22.5-110.4 -92.2 164.5 31.8 15.2 16.6 14 14 A Q H > S+ 0 0 64 14,-2.8 4,-2.0 1,-0.2 15,-0.1 0.871 122.2 48.5 -60.5 -35.7 29.2 15.9 13.9 15 15 A W H 4>S+ 0 0 24 13,-0.3 5,-2.6 2,-0.2 4,-0.5 0.761 105.3 57.4 -80.9 -23.1 28.6 19.3 15.5 16 16 A N H >45S+ 0 0 43 3,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.966 111.4 44.1 -59.5 -50.0 32.3 20.0 15.6 17 17 A K H 3<5S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.913 116.0 46.7 -58.3 -45.2 32.3 19.4 11.8 18 18 A E T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.408 110.9-120.4 -84.1 0.7 29.1 21.5 11.4 19 19 A N T < 5 + 0 0 29 -3,-1.1 80,-2.7 -4,-0.5 81,-0.4 0.934 61.9 144.1 61.9 50.5 30.4 24.4 13.6 20 20 A R B < -G 98 0C 84 -5,-2.6 2,-0.2 78,-0.3 78,-0.2 -0.952 56.6-113.1-120.5 137.8 27.6 24.3 16.1 21 21 A F + 0 0 0 76,-2.4 75,-3.0 -2,-0.4 76,-0.1 -0.518 39.8 173.8 -63.0 130.9 27.8 24.9 19.9 22 22 A T > + 0 0 9 -2,-0.2 3,-2.1 73,-0.2 69,-0.2 0.853 11.0 155.5-111.5 -56.9 27.1 21.5 21.6 23 23 A G T 3 S- 0 0 1 1,-0.3 65,-0.3 67,-0.2 67,-0.2 -0.399 85.3 -10.0 62.0-128.2 27.5 21.5 25.4 24 24 A W T 3 S+ 0 0 13 -2,-0.1 -1,-0.3 63,-0.1 66,-0.1 0.529 100.3 122.2 -83.2 -2.7 25.4 18.7 26.9 25 25 A Y < - 0 0 115 -3,-2.1 2,-1.7 1,-0.1 71,-0.1 -0.415 69.2-127.9 -59.5 134.2 23.5 18.0 23.6 26 26 A D + 0 0 35 -2,-0.1 -1,-0.1 34,-0.1 2,-0.1 -0.339 44.1 163.4 -93.7 62.0 24.3 14.4 23.0 27 27 A V - 0 0 12 -2,-1.7 34,-0.5 1,-0.1 2,-0.1 -0.421 30.6-123.9 -75.5 149.8 25.6 14.4 19.4 28 28 A D - 0 0 64 1,-0.2 -14,-2.8 -2,-0.1 -13,-0.3 -0.336 32.3 -80.2 -87.9 170.2 27.6 11.5 18.0 29 29 A L B -F 13 0B 16 -16,-0.3 -16,-0.3 31,-0.2 -1,-0.2 -0.337 43.3-125.3 -52.6 142.2 31.0 11.2 16.4 30 30 A S > - 0 0 4 -18,-2.4 4,-2.0 1,-0.1 5,-0.2 -0.421 35.5 -96.9 -75.6 171.9 31.4 12.2 12.8 31 31 A E H > S+ 0 0 170 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.922 130.1 50.2 -54.1 -45.9 32.9 9.6 10.4 32 32 A K H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 106.5 55.6 -62.8 -37.8 36.2 11.4 10.9 33 33 A G H > S+ 0 0 0 -21,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.858 104.4 51.7 -65.3 -35.4 35.8 11.2 14.6 34 34 A V H X S+ 0 0 49 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.943 110.8 49.7 -60.3 -47.7 35.3 7.5 14.5 35 35 A S H X S+ 0 0 76 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.911 111.0 49.8 -55.1 -46.0 38.6 7.3 12.5 36 36 A E H X S+ 0 0 23 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.912 110.0 50.0 -62.4 -43.0 40.3 9.5 15.1 37 37 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.944 112.6 46.2 -62.5 -46.2 39.1 7.3 18.0 38 38 A K H X S+ 0 0 96 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.906 111.5 52.5 -62.8 -41.3 40.3 4.1 16.3 39 39 A A H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.895 106.7 53.3 -62.6 -39.3 43.7 5.8 15.5 40 40 A A H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.911 110.8 46.8 -62.2 -42.6 44.2 6.8 19.1 41 41 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 111.5 49.8 -65.1 -43.2 43.6 3.2 20.3 42 42 A K H X S+ 0 0 121 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.895 112.5 48.6 -61.9 -41.7 46.0 1.8 17.7 43 43 A L H X S+ 0 0 38 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.923 108.7 52.5 -66.2 -43.7 48.7 4.3 18.7 44 44 A L H <>S+ 0 0 1 -4,-2.3 5,-2.6 2,-0.2 4,-0.2 0.929 111.2 48.3 -59.4 -43.4 48.2 3.6 22.4 45 45 A K H ><5S+ 0 0 120 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.952 111.1 49.4 -60.5 -50.2 48.7 -0.1 21.7 46 46 A E H 3<5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 109.6 52.4 -57.4 -34.6 51.8 0.6 19.6 47 47 A E T 3<5S- 0 0 103 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.347 121.3-106.2 -87.1 4.0 53.3 2.7 22.3 48 48 A G T < 5 + 0 0 68 -3,-1.7 2,-0.4 -4,-0.2 -3,-0.2 0.643 67.8 146.6 87.5 17.9 52.8 -0.0 24.9 49 49 A Y < + 0 0 26 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.731 12.0 158.4 -90.3 132.3 49.8 1.3 26.9 50 50 A S - 0 0 46 -2,-0.4 2,-0.3 128,-0.0 25,-0.0 -0.924 23.1-140.4-138.3 169.6 47.1 -0.8 28.5 51 51 A F - 0 0 4 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.781 22.7-157.2-129.7 166.0 44.7 0.0 31.4 52 52 A D S S+ 0 0 54 125,-3.1 2,-0.3 1,-0.4 126,-0.2 0.528 84.8 11.3-111.0 -21.8 43.0 -1.3 34.5 53 53 A F E -c 178 0A 18 124,-1.6 126,-1.5 25,-0.1 2,-0.4 -0.976 62.0-150.4-158.4 144.6 40.0 1.2 34.6 54 54 A A E -cd 179 80A 0 25,-2.3 27,-2.3 -2,-0.3 2,-0.4 -0.973 3.6-164.6-124.0 140.4 38.3 3.8 32.4 55 55 A Y E +cd 180 81A 0 124,-2.5 126,-2.5 -2,-0.4 2,-0.3 -0.934 20.5 154.9-111.8 143.1 36.3 6.9 33.2 56 56 A T E -cd 181 82A 0 25,-2.2 27,-2.8 -2,-0.4 30,-0.2 -0.882 37.3-100.9-150.1 179.3 34.1 8.8 30.8 57 57 A S - 0 0 0 124,-0.6 27,-0.2 -2,-0.3 -1,-0.1 -0.125 36.5-104.6 -86.8-167.8 31.1 11.1 30.6 58 58 A V S S+ 0 0 26 25,-0.3 2,-0.5 24,-0.2 26,-0.1 0.210 89.5 103.7-102.2 13.9 27.4 10.3 29.9 59 59 A L S >> S- 0 0 0 1,-0.1 4,-2.3 -34,-0.0 3,-1.3 -0.819 71.2-137.4-102.3 129.5 27.7 11.8 26.4 60 60 A K H 3> S+ 0 0 78 -2,-0.5 4,-2.8 1,-0.3 5,-0.4 0.762 98.7 65.3 -61.9 -29.0 28.0 9.4 23.5 61 61 A R H 3> S+ 0 0 3 -34,-0.5 4,-0.9 2,-0.2 -50,-0.5 0.906 113.5 35.5 -61.4 -38.2 30.8 11.3 21.6 62 62 A A H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.907 118.0 50.6 -76.7 -45.5 33.1 10.5 24.6 63 63 A I H X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.926 112.2 47.6 -60.1 -47.1 31.6 7.0 25.4 64 64 A H H X S+ 0 0 52 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.848 108.2 55.3 -66.4 -31.6 32.0 5.9 21.7 65 65 A T H X S+ 0 0 0 -4,-0.9 4,-2.3 -5,-0.4 -1,-0.2 0.961 110.4 46.5 -61.5 -47.4 35.6 7.3 21.6 66 66 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.922 110.2 52.1 -58.8 -47.3 36.3 5.1 24.6 67 67 A W H X S+ 0 0 125 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.926 111.2 47.7 -57.3 -44.4 34.6 2.0 23.1 68 68 A N H X S+ 0 0 28 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.917 112.9 48.4 -64.4 -42.5 36.7 2.3 19.9 69 69 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.941 110.5 51.3 -60.3 -48.1 39.9 2.8 21.9 70 70 A L H X>S+ 0 0 4 -4,-3.1 5,-2.8 1,-0.2 4,-0.5 0.885 107.6 52.8 -59.7 -41.0 39.2 -0.2 24.1 71 71 A D H ><5S+ 0 0 101 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.935 107.2 51.4 -63.1 -41.2 38.6 -2.4 21.0 72 72 A E H 3<5S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.845 113.9 45.6 -62.6 -29.3 41.9 -1.4 19.5 73 73 A L H 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.467 110.7-122.2 -86.6 -5.9 43.5 -2.4 22.8 74 74 A D T <<5S+ 0 0 131 -3,-1.3 -3,-0.2 -4,-0.5 3,-0.1 0.898 80.7 119.2 56.3 42.4 41.6 -5.7 23.1 75 75 A Q > < + 0 0 12 -5,-2.8 3,-2.1 -6,-0.1 -4,-0.2 -0.149 13.3 131.4-127.2 39.6 40.3 -4.4 26.4 76 76 A A T 3 S+ 0 0 65 -6,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.748 73.0 64.1 -60.9 -21.9 36.5 -4.3 25.7 77 77 A W T 3 S+ 0 0 182 -7,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.477 76.2 124.3 -77.1 -5.4 36.3 -6.1 29.1 78 78 A L S < S- 0 0 8 -3,-2.1 -25,-0.1 1,-0.1 2,-0.1 -0.268 72.0-105.2 -61.8 139.8 37.7 -3.2 31.1 79 79 A P - 0 0 64 0, 0.0 -25,-2.3 0, 0.0 2,-0.4 -0.430 42.7-165.9 -61.0 135.5 35.7 -1.8 34.0 80 80 A V E -d 54 0A 44 -27,-0.2 2,-0.5 -2,-0.1 -25,-0.2 -0.987 15.1-163.4-128.8 135.2 34.1 1.6 32.9 81 81 A E E -d 55 0A 66 -27,-2.3 -25,-2.2 -2,-0.4 2,-0.5 -0.994 8.7-160.2-117.8 126.4 32.5 4.3 35.0 82 82 A K E +d 56 0A 100 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.3 -0.921 16.8 177.7-109.0 116.7 30.3 6.9 33.2 83 83 A S > - 0 0 12 -27,-2.8 3,-1.9 -2,-0.5 -25,-0.3 -0.977 37.7-145.9-130.5 133.8 29.7 10.2 35.1 84 84 A W G > S+ 0 0 41 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.736 97.5 77.2 -58.2 -25.5 27.9 13.4 34.3 85 85 A K G 3 S+ 0 0 59 1,-0.3 -1,-0.3 74,-0.1 78,-0.1 0.716 93.3 50.5 -59.8 -23.8 30.6 15.1 36.3 86 86 A L G < S+ 0 0 7 -3,-1.9 97,-0.4 -30,-0.2 -1,-0.3 0.332 86.6 126.9 -95.4 5.8 33.0 14.7 33.3 87 87 A N < - 0 0 0 -3,-2.0 3,-0.1 1,-0.1 -63,-0.1 -0.171 69.7 -93.0 -58.5 153.4 30.4 16.2 30.8 88 88 A E - 0 0 14 -65,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.181 58.1 -79.9 -50.0 152.3 31.3 19.1 28.5 89 89 A R - 0 0 6 -66,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.480 53.8-109.4 -55.0 132.4 30.6 22.6 29.8 90 90 A H - 0 0 0 -67,-0.2 61,-1.5 -2,-0.2 -67,-0.2 -0.448 23.4-154.8 -68.7 134.8 26.9 23.3 29.3 91 91 A Y > - 0 0 18 1,-0.3 3,-1.9 -69,-0.2 4,-0.2 0.261 20.9-152.5-100.1 12.4 26.3 25.9 26.6 92 92 A G G > - 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 -0.210 70.0 -9.7 56.6-139.9 22.9 27.3 27.8 93 93 A A G 3 S+ 0 0 28 30,-2.7 -1,-0.3 1,-0.3 31,-0.1 0.564 127.1 74.0 -66.1 -10.2 20.7 28.7 25.1 94 94 A L G X + 0 0 6 -3,-1.9 3,-2.4 29,-0.4 -73,-0.3 0.652 65.3 120.0 -77.7 -13.5 23.6 28.5 22.6 95 95 A Q T < S+ 0 0 11 -3,-1.7 -73,-0.2 1,-0.3 3,-0.1 -0.333 83.1 12.9 -60.9 123.9 23.2 24.7 22.3 96 96 A G T 3 S+ 0 0 13 -75,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.147 97.6 124.2 98.0 -15.9 22.5 23.9 18.7 97 97 A L < - 0 0 71 -3,-2.4 -76,-2.4 -76,-0.1 -1,-0.3 -0.474 67.4-111.3 -77.9 148.6 23.3 27.3 17.2 98 98 A N B > -G 20 0C 37 -78,-0.2 4,-2.2 -2,-0.2 -78,-0.3 -0.595 20.9-140.2 -76.4 131.5 25.9 27.8 14.4 99 99 A K H > S+ 0 0 33 -80,-2.7 4,-2.2 -2,-0.3 5,-0.1 0.865 99.7 47.7 -65.4 -38.3 29.0 29.6 15.8 100 100 A A H > S+ 0 0 28 -81,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.923 113.2 47.7 -68.5 -45.7 29.5 31.7 12.7 101 101 A E H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.881 112.7 50.1 -62.0 -38.6 25.8 32.8 12.5 102 102 A T H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.912 108.7 51.1 -69.6 -41.7 25.9 33.6 16.2 103 103 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.875 111.3 49.4 -63.7 -35.8 29.0 35.7 15.9 104 104 A E H < S+ 0 0 167 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.938 115.3 42.7 -65.9 -44.8 27.4 37.6 13.0 105 105 A K H < S+ 0 0 152 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 132.3 19.5 -73.4 -34.3 24.1 38.3 15.0 106 106 A Y H < S- 0 0 142 -4,-2.4 4,-0.2 -5,-0.1 -3,-0.2 0.436 117.8 -89.3-116.6 -7.2 25.7 39.2 18.4 107 107 A G X - 0 0 30 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.177 26.2-104.1 101.9 140.6 29.3 40.1 17.5 108 108 A D H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 119.8 49.9 -65.8 -41.6 32.6 38.1 17.3 109 109 A E H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 108.8 52.4 -67.7 -42.9 34.0 39.4 20.6 110 110 A Q H > S+ 0 0 82 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.919 110.4 48.6 -55.5 -42.3 30.7 38.5 22.4 111 111 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.927 107.9 54.5 -66.9 -37.3 30.9 34.9 21.0 112 112 A K H X S+ 0 0 93 -4,-2.1 4,-2.3 1,-0.2 5,-0.4 0.904 110.2 47.6 -62.7 -38.0 34.6 34.6 22.0 113 113 A Q H X S+ 0 0 78 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.913 110.3 50.2 -68.5 -42.2 33.5 35.5 25.6 114 114 A W H < S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.835 116.9 43.5 -65.1 -29.3 30.7 33.0 25.5 115 115 A R H < S+ 0 0 46 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.854 135.8 3.9 -76.5 -41.4 33.1 30.3 24.3 116 116 A R H < S+ 0 0 64 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.532 77.4 129.5-133.4 -13.8 36.1 31.0 26.5 117 117 A G >< - 0 0 9 -4,-2.2 3,-0.8 -5,-0.4 36,-0.5 -0.395 59.6-129.3 -60.6 130.3 35.6 33.7 29.2 118 118 A F T 3 S+ 0 0 36 1,-0.3 36,-2.2 -2,-0.2 35,-0.4 0.861 98.9 12.3 -55.5 -53.5 36.8 32.0 32.4 119 119 A A T 3 S+ 0 0 70 34,-0.2 2,-0.3 33,-0.1 -1,-0.3 0.280 101.0 119.7-106.4 8.2 33.8 32.8 34.7 120 120 A V < - 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