==== 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 ISOMERASE 10-JUN-10 3NFY . COMPND 2 MOLECULE: BISPHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.F.PATTERSON,N.C.PRICE,J.NAIRN . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.0 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 . 2 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 3 2 2 0 2 2 1 1 2 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A S 0 0 73 0, 0.0 221,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 138.9 -1.3 22.3 12.1 2 3 A K + 0 0 120 219,-0.7 2,-0.3 1,-0.1 220,-0.2 0.843 360.0 25.1 -62.1 -38.8 -4.6 21.2 13.7 3 4 A Y E -A 221 0A 36 218,-2.3 218,-2.9 2,-0.0 2,-0.4 -0.936 63.4-156.0-135.1 153.5 -3.1 18.0 15.2 4 5 A K E -A 220 0A 104 -2,-0.3 178,-0.5 216,-0.2 2,-0.3 -0.994 11.2-179.6-137.9 139.0 0.3 16.7 16.3 5 6 A L E -Ab 219 182A 1 214,-2.7 214,-3.1 -2,-0.4 2,-0.4 -0.962 16.2-143.7-132.0 149.5 1.6 13.1 16.6 6 7 A I E +Ab 218 183A 0 176,-2.6 178,-2.7 -2,-0.3 2,-0.4 -0.961 19.4 175.2-116.5 130.6 4.9 11.4 17.7 7 8 A M E +Ab 217 184A 1 210,-2.0 210,-2.2 -2,-0.4 2,-0.3 -0.966 5.2 169.8-125.3 150.9 6.3 8.4 16.2 8 9 A L E - b 0 185A 1 176,-2.5 178,-3.3 -2,-0.4 2,-0.4 -0.981 26.6-130.9-154.3 164.2 9.6 6.6 16.8 9 10 A R E - b 0 186A 24 203,-0.4 205,-2.7 206,-0.3 206,-0.3 -0.936 31.8-113.7-114.9 143.0 11.6 3.5 16.2 10 11 A H - 0 0 5 176,-1.2 24,-0.1 -2,-0.4 52,-0.1 -0.315 43.5 -87.2 -64.5 155.4 13.3 1.5 18.9 11 12 A G - 0 0 3 22,-0.5 -1,-0.1 202,-0.1 19,-0.1 -0.304 51.7-115.7 -59.6 146.7 17.2 1.3 19.0 12 13 A E - 0 0 27 1,-0.1 18,-0.2 -3,-0.1 21,-0.1 -0.391 30.1-135.3 -93.9 170.3 18.5 -1.5 16.8 13 14 A G > - 0 0 22 -2,-0.1 4,-1.1 16,-0.1 -1,-0.1 -0.091 34.7 -67.3-113.1-158.8 20.3 -4.6 18.0 14 15 A A H >> S+ 0 0 61 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.901 123.8 54.8 -62.4 -48.4 23.2 -7.0 17.4 15 16 A W H >4>S+ 0 0 42 1,-0.2 5,-3.3 2,-0.2 3,-0.6 0.854 104.3 56.2 -54.1 -39.6 21.9 -8.4 14.1 16 17 A N H >45S+ 0 0 67 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 0.840 103.4 53.1 -62.3 -37.8 21.7 -4.9 12.7 17 18 A K H <<5S+ 0 0 155 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.654 112.9 45.4 -72.9 -17.8 25.4 -4.3 13.4 18 19 A E T <<5S- 0 0 104 -4,-0.9 81,-0.4 -3,-0.6 -1,-0.3 -0.036 119.8-115.0-106.4 25.0 26.0 -7.5 11.5 19 20 A N T < 5 + 0 0 92 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.759 69.5 139.8 44.4 36.5 23.5 -6.3 8.7 20 21 A R < - 0 0 58 -5,-3.3 2,-0.7 78,-0.1 -1,-0.2 -0.809 53.6-119.8-100.5 147.2 21.0 -9.2 9.4 21 22 A F - 0 0 26 76,-0.6 75,-1.1 73,-0.4 4,-0.1 -0.815 20.3-173.0 -94.4 116.2 17.3 -8.6 9.4 22 23 A C > + 0 0 12 -2,-0.7 3,-2.1 1,-0.2 -1,-0.2 0.943 30.9 153.6 -68.3 -47.1 15.4 -9.3 12.7 23 24 A S T 3 S- 0 0 2 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.355 74.3 -7.6 57.3-131.7 12.1 -8.7 11.0 24 25 A W T 3 S+ 0 0 3 -3,-0.1 2,-0.3 63,-0.1 -1,-0.3 0.458 103.3 114.0 -76.6 -6.1 9.2 -10.8 12.8 25 26 A V S < S- 0 0 21 -3,-2.1 2,-1.8 1,-0.1 110,-0.1 -0.554 74.5-129.1 -66.4 128.0 11.8 -12.6 15.1 26 27 A D + 0 0 39 -2,-0.3 2,-0.1 108,-0.2 -1,-0.1 -0.393 39.7 172.2 -86.7 60.8 10.9 -11.2 18.5 27 28 A Q - 0 0 51 -2,-1.8 34,-0.5 1,-0.1 2,-0.1 -0.433 28.7-123.5 -68.7 139.4 14.3 -10.1 19.7 28 29 A K - 0 0 115 -2,-0.1 -1,-0.1 1,-0.1 33,-0.1 -0.407 31.1 -95.3 -73.1 157.4 14.5 -8.1 22.9 29 30 A L - 0 0 25 -2,-0.1 2,-0.1 31,-0.1 -1,-0.1 -0.430 36.3-133.6 -60.9 142.6 16.2 -4.6 23.2 30 31 A N > - 0 0 64 -18,-0.2 4,-1.9 -19,-0.1 5,-0.1 -0.350 37.7 -90.2 -80.6-179.5 19.8 -4.6 24.3 31 32 A S H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.862 131.0 55.9 -65.3 -33.3 20.9 -2.2 27.0 32 33 A E H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 106.3 47.8 -58.6 -56.0 21.7 0.3 24.3 33 34 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -22,-0.5 0.834 111.7 53.9 -52.0 -33.0 18.1 0.0 22.9 34 35 A M H X S+ 0 0 61 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.949 108.7 45.8 -71.0 -45.5 17.0 0.5 26.5 35 36 A E H X S+ 0 0 81 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.902 109.9 56.4 -62.1 -38.6 19.0 3.7 27.0 36 37 A E H X S+ 0 0 23 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.902 109.3 45.2 -58.7 -45.7 17.7 5.0 23.6 37 38 A A H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.906 113.7 49.1 -66.2 -44.6 14.1 4.6 24.7 38 39 A R H X S+ 0 0 81 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 107.9 55.6 -61.1 -40.9 14.8 6.2 28.1 39 40 A N H X S+ 0 0 80 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.900 107.0 49.1 -59.6 -42.1 16.5 9.0 26.3 40 41 A C H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.856 109.1 52.8 -56.6 -42.7 13.4 9.6 24.2 41 42 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.958 110.4 47.3 -65.0 -46.8 11.2 9.7 27.3 42 43 A K H X S+ 0 0 102 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.913 113.5 47.7 -52.8 -48.0 13.4 12.3 28.9 43 44 A Q H X S+ 0 0 60 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.920 113.4 47.6 -63.7 -43.7 13.5 14.4 25.8 44 45 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.3 0.879 111.5 51.2 -67.6 -36.5 9.7 14.1 25.5 45 46 A K H ><5S+ 0 0 132 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.922 105.9 54.7 -63.2 -45.6 9.4 15.0 29.2 46 47 A A H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.766 110.1 47.9 -54.2 -28.4 11.6 18.1 28.6 47 48 A L T 3<5S- 0 0 84 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.310 114.2-122.8 -93.1 10.1 9.1 19.0 25.9 48 49 A N T < 5 - 0 0 112 -3,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.835 42.4-179.7 35.8 51.8 6.2 18.4 28.3 49 50 A F < - 0 0 30 -5,-2.3 2,-0.5 1,-0.0 -1,-0.2 -0.538 11.7-165.8 -68.8 134.0 4.5 15.8 26.0 50 51 A E - 0 0 83 -2,-0.2 2,-0.2 132,-0.0 131,-0.2 -0.949 9.3-158.7-124.7 103.5 1.3 14.5 27.5 51 52 A F - 0 0 0 -2,-0.5 131,-0.2 1,-0.1 3,-0.1 -0.600 19.8-174.3 -87.3 150.1 0.2 11.4 25.7 52 53 A D S S+ 0 0 45 129,-3.0 2,-0.3 1,-0.3 130,-0.2 0.525 75.1 14.8-109.9 -18.9 -3.5 10.0 25.7 53 54 A L E -c 182 0A 12 128,-1.3 130,-2.3 25,-0.2 2,-0.4 -0.969 59.2-154.4-162.1 138.9 -2.7 6.8 23.8 54 55 A V E -cd 183 80A 0 25,-2.8 27,-2.9 -2,-0.3 2,-0.4 -0.961 6.3-164.6-117.3 139.1 0.1 4.6 22.6 55 56 A F E +cd 184 81A 0 128,-2.7 130,-2.9 -2,-0.4 2,-0.3 -0.951 17.6 165.6-118.8 132.2 0.3 2.3 19.6 56 57 A T E -cd 185 82A 0 25,-2.4 27,-1.9 -2,-0.4 30,-0.2 -0.865 35.8-106.3-130.8 171.7 2.9 -0.4 19.3 57 58 A S - 0 0 0 128,-0.7 27,-0.2 -2,-0.3 -1,-0.1 -0.261 38.1-108.3 -80.3-177.8 3.6 -3.5 17.2 58 59 A V S S+ 0 0 14 25,-0.4 2,-0.4 24,-0.2 269,-0.2 0.270 89.9 104.9 -91.4 5.0 3.3 -7.0 18.8 59 60 A L S >> S- 0 0 0 24,-0.2 4,-1.3 1,-0.1 3,-1.0 -0.757 77.8-130.6 -87.6 130.9 7.1 -7.4 18.8 60 61 A N H 3> S+ 0 0 5 -2,-0.4 4,-3.9 1,-0.2 5,-0.3 0.811 100.2 66.0 -57.9 -31.7 8.4 -6.9 22.4 61 62 A R H 3> S+ 0 0 10 -34,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.881 105.7 42.7 -57.1 -39.8 11.1 -4.4 21.4 62 63 A S H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.862 114.9 49.8 -73.8 -31.9 8.6 -1.9 20.4 63 64 A I H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.956 111.7 48.5 -70.1 -51.6 6.4 -2.6 23.5 64 65 A H H X S+ 0 0 13 -4,-3.9 4,-2.8 1,-0.2 5,-0.3 0.937 108.5 54.6 -53.9 -44.3 9.4 -2.2 25.8 65 66 A T H X S+ 0 0 3 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.926 110.0 46.6 -53.4 -47.5 10.4 1.0 24.1 66 67 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.918 112.2 50.4 -59.6 -43.6 6.9 2.4 24.8 67 68 A W H X S+ 0 0 13 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.892 110.4 48.6 -64.4 -42.8 6.9 1.2 28.4 68 69 A L H X S+ 0 0 13 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.917 112.8 49.8 -65.9 -39.9 10.4 2.8 29.1 69 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.954 110.3 47.7 -59.6 -49.5 9.1 6.0 27.5 70 71 A L H X>S+ 0 0 0 -4,-2.8 5,-3.3 1,-0.2 4,-0.7 0.863 111.3 52.9 -63.2 -39.6 5.9 6.1 29.6 71 72 A E H ><5S+ 0 0 44 -4,-2.1 3,-1.3 2,-0.2 -1,-0.2 0.954 106.4 51.8 -56.0 -49.2 7.9 5.4 32.8 72 73 A E H 3<5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.824 116.2 43.1 -59.6 -29.1 10.3 8.4 32.0 73 74 A L H 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.565 107.6-121.7 -88.2 -12.9 7.1 10.5 31.6 74 75 A G T <<5S+ 0 0 37 -3,-1.3 -3,-0.2 -4,-0.7 3,-0.2 0.861 80.9 120.0 69.0 32.8 5.2 9.2 34.7 75 76 A Q > < + 0 0 11 -5,-3.3 3,-2.6 -6,-0.2 -4,-0.2 -0.029 16.0 129.0-118.0 29.5 2.5 8.2 32.1 76 77 A E T 3 + 0 0 6 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.700 67.8 64.5 -61.8 -22.8 2.3 4.5 32.7 77 78 A W T 3 S+ 0 0 18 231,-0.2 -1,-0.3 -3,-0.2 255,-0.2 0.530 75.2 110.8 -74.3 -18.3 -1.5 4.7 33.1 78 79 A V S < S- 0 0 3 -3,-2.6 -25,-0.2 1,-0.1 -26,-0.1 -0.456 81.7-103.6 -63.2 131.1 -1.9 5.8 29.4 79 80 A P - 0 0 68 0, 0.0 -25,-2.8 0, 0.0 2,-0.5 -0.274 33.1-155.7 -61.0 143.6 -3.5 3.1 27.4 80 81 A V E -d 54 0A 30 250,-0.4 250,-0.5 -27,-0.2 2,-0.4 -0.975 7.9-170.9-118.6 127.5 -1.3 1.0 25.1 81 82 A E E -d 55 0A 60 -27,-2.9 -25,-2.4 -2,-0.5 2,-0.3 -0.971 7.1-160.7-114.6 136.6 -2.7 -0.8 22.1 82 83 A S E +d 56 0A 36 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.905 10.7 177.7-120.3 146.9 -0.5 -3.3 20.1 83 84 A S > - 0 0 12 -27,-1.9 3,-1.9 -2,-0.3 -25,-0.4 -0.986 38.7-137.3-148.9 132.9 -1.0 -4.6 16.6 84 85 A W G > S+ 0 0 14 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.778 103.1 76.6 -53.5 -22.5 0.8 -6.9 14.1 85 86 A R G 3 S+ 0 0 33 1,-0.3 -1,-0.3 78,-0.1 82,-0.1 0.638 93.7 48.3 -69.5 -9.7 -0.1 -4.2 11.6 86 87 A L G < S+ 0 0 4 -3,-1.9 101,-0.3 -30,-0.2 -1,-0.3 0.311 87.5 126.1-104.0 0.8 2.7 -2.1 13.1 87 88 A N S < S- 0 0 0 -3,-1.9 100,-0.1 -4,-0.2 3,-0.1 -0.164 71.7 -95.0 -51.3 144.6 5.3 -5.0 12.9 88 89 A E - 0 0 15 -65,-0.3 -1,-0.1 1,-0.2 -64,-0.0 -0.213 62.3 -70.8 -47.6 155.1 8.6 -4.5 11.1 89 90 A R - 0 0 1 1,-0.1 2,-0.9 -3,-0.1 -1,-0.2 -0.256 47.8-119.1 -48.8 138.2 8.6 -5.6 7.4 90 91 A H - 0 0 0 66,-0.2 65,-2.1 -67,-0.2 -1,-0.1 -0.781 24.4-167.8 -87.1 113.0 8.5 -9.3 7.0 91 92 A Y > - 0 0 5 -2,-0.9 3,-1.7 1,-0.2 -1,-0.1 0.278 22.0-161.0 -87.1 5.4 11.8 -10.2 5.2 92 93 A G G > + 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.174 67.0 1.9 61.2-132.7 10.6 -13.7 4.4 93 94 A A G 3 S+ 0 0 21 30,-2.8 -1,-0.3 1,-0.3 4,-0.2 0.723 126.1 69.2 -57.3 -24.2 13.2 -16.3 3.5 94 95 A L G X S+ 0 0 0 -3,-1.7 3,-1.3 29,-0.4 -73,-0.4 0.639 70.2 120.2 -71.9 -19.4 15.9 -13.6 4.0 95 96 A I T < S+ 0 0 1 -3,-1.7 36,-0.1 1,-0.2 -73,-0.1 -0.292 81.6 9.5 -47.7 120.9 15.2 -13.6 7.8 96 97 A G T 3 S+ 0 0 13 -75,-1.1 -1,-0.2 1,-0.3 2,-0.1 -0.040 97.9 119.6 101.1 -27.0 18.4 -14.5 9.7 97 98 A L < - 0 0 31 -3,-1.3 -76,-0.6 -4,-0.2 -1,-0.3 -0.401 56.6-135.3 -71.5 140.5 20.8 -14.3 6.8 98 99 A N > - 0 0 34 -78,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.316 37.9 -90.0 -80.0 175.3 23.8 -11.9 6.7 99 100 A R H > S+ 0 0 71 -81,-0.4 4,-2.3 1,-0.2 5,-0.2 0.914 126.2 49.7 -47.8 -50.1 24.6 -9.9 3.5 100 101 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 110.4 48.8 -63.9 -44.5 26.9 -12.5 2.2 101 102 A Q H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.922 111.5 48.5 -63.0 -45.7 24.5 -15.4 2.6 102 103 A M H X>S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.7 0.931 112.5 49.4 -56.5 -50.1 21.6 -13.5 0.9 103 104 A A H X5S+ 0 0 16 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.918 113.5 46.3 -56.0 -49.5 23.8 -12.6 -2.0 104 105 A L H <5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 118.0 40.2 -61.5 -42.2 25.0 -16.2 -2.4 105 106 A N H <5S+ 0 0 107 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.771 137.6 13.9 -81.1 -27.1 21.6 -17.9 -2.2 106 107 A H H <5S- 0 0 65 -4,-2.4 -3,-0.2 -5,-0.3 4,-0.2 0.695 109.1-100.1-121.9 -27.7 19.8 -15.3 -4.2 107 108 A G X< - 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0 0 39 -3,-1.4 3,-2.2 -5,-0.2 4,-0.3 -0.665 69.4-139.4 -86.5 125.2 3.6 -18.1 18.5 139 140 A R G >> S+ 0 0 48 -2,-0.5 3,-1.0 1,-0.3 4,-0.5 0.649 97.4 75.8 -49.3 -29.5 0.2 -17.6 20.3 140 141 A R G >4 S+ 0 0 12 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.851 95.4 47.9 -44.2 -47.0 0.5 -13.9 19.4 141 142 A Y G <4 S+ 0 0 4 -3,-2.2 3,-0.5 -6,-0.3 -1,-0.2 0.516 97.9 68.5 -87.8 -4.3 -0.5 -14.7 15.8 142 143 A K G <4 S+ 0 0 92 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.643 102.5 46.2 -86.1 -13.6 -3.4 -16.9 16.7 143 144 A V S << S+ 0 0 100 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.054 83.5 121.4-119.4 22.4 -5.4 -13.8 18.0 144 145 A C S S- 0 0 31 -3,-0.5 4,-0.1 2,-0.3 -3,-0.0 -0.190 79.2 -99.4 -72.7 173.6 -4.8 -11.2 15.3 145 146 A D S S+ 0 0 104 2,-0.1 -1,-0.1 3,-0.0 3,-0.0 0.601 112.3 46.2 -74.9 -9.8 -7.6 -9.5 13.2 146 147 A V S S- 0 0 14 -5,-0.1 -2,-0.3 1,-0.0 5,-0.1 -0.951 105.2 -91.4-123.0 149.4 -7.0 -12.0 10.4 147 148 A P > - 0 0 73 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.191 41.5-105.1 -50.2 150.9 -6.5 -15.7 10.8 148 149 A L G > S+ 0 0 45 1,-0.3 3,-0.5 2,-0.2 -6,-0.1 0.752 121.4 50.3 -52.1 -37.9 -3.0 -17.0 11.3 149 150 A D G 3 S+ 0 0 136 1,-0.2 -1,-0.3 4,-0.0 4,-0.0 0.627 101.0 63.0 -78.6 -14.2 -2.8 -18.3 7.7 150 151 A Q G < S+ 0 0 133 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.640 83.6 104.4 -77.9 -9.7 -4.0 -15.0 6.4 151 152 A L S < S- 0 0 3 -3,-0.5 -3,-0.0 -4,-0.5 -10,-0.0 -0.422 82.7-100.2 -73.0 144.5 -0.8 -13.5 7.8 152 153 A P - 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