==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-MAR-09 3GP5 . COMPND 2 MOLECULE: 2,3-BISPHOSPHOGLYCERATE-DEPENDENT PHOSPHOGLYCERAT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 477 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.1 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 . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.1 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 2 0 2 0 2 2 0 2 1 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 0 0 0 4 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 1 A M 0 0 128 0, 0.0 2,-0.3 0, 0.0 216,-0.2 0.000 360.0 360.0 360.0 138.3 21.3 -41.7 19.1 2 2 A Y E -A 216 0A 51 214,-3.0 214,-3.1 215,-0.0 2,-0.4 -0.906 360.0-140.5-128.2 156.6 20.1 -39.5 22.1 3 3 A K E -A 215 0A 83 -2,-0.3 174,-0.6 212,-0.2 2,-0.4 -0.968 13.6-175.3-117.4 141.8 16.9 -39.0 24.1 4 4 A L E -Ab 214 177A 0 210,-3.2 210,-3.5 -2,-0.4 2,-0.4 -1.000 11.1-153.5-131.0 132.4 15.5 -35.7 25.4 5 5 A V E -Ab 213 178A 2 172,-1.9 174,-2.3 -2,-0.4 2,-0.3 -0.861 10.2-171.7-111.8 142.1 12.5 -35.4 27.6 6 6 A L E -Ab 212 179A 1 206,-3.0 206,-2.6 -2,-0.4 2,-0.3 -0.921 2.6-176.6-126.8 149.5 10.2 -32.4 27.7 7 7 A I E - b 0 180A 2 172,-2.0 174,-2.4 -2,-0.3 2,-0.2 -0.926 21.4-137.7-152.8 127.4 7.4 -31.7 30.1 8 8 A R E - b 0 181A 22 199,-0.5 201,-1.5 202,-0.5 174,-0.2 -0.519 45.6 -95.8 -72.2 144.9 4.9 -28.9 30.4 9 9 A H - 0 0 3 172,-2.0 200,-0.6 -2,-0.2 52,-0.2 -0.194 47.2 -97.5 -53.2 154.1 4.3 -27.7 34.0 10 10 A G - 0 0 0 50,-0.4 22,-0.2 198,-0.3 -1,-0.1 -0.242 65.1 -52.3 -66.3 166.4 1.4 -29.3 35.8 11 11 A E - 0 0 24 20,-0.2 18,-2.0 17,-0.1 21,-0.4 -0.099 62.8-154.0 -39.9 123.7 -1.9 -27.5 36.1 12 12 A S B > -F 28 0B 0 16,-0.3 4,-1.9 -3,-0.1 3,-0.3 -0.592 30.3-103.1 -97.8 165.7 -1.5 -24.0 37.5 13 13 A T H > S+ 0 0 46 14,-2.9 4,-2.4 1,-0.2 5,-0.2 0.898 124.7 47.4 -52.3 -36.5 -3.9 -21.8 39.5 14 14 A W H 4>S+ 0 0 36 13,-0.3 5,-2.9 2,-0.2 4,-0.3 0.761 104.3 57.7 -86.9 -21.7 -4.5 -19.8 36.3 15 15 A N H 45S+ 0 0 33 -3,-0.3 -1,-0.2 3,-0.2 3,-0.2 0.878 111.8 45.7 -61.9 -40.5 -5.0 -22.9 34.1 16 16 A K H <5S+ 0 0 136 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.951 116.0 42.1 -68.6 -50.6 -7.8 -23.7 36.5 17 17 A E T <5S- 0 0 94 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.463 112.0-123.7 -72.7 -0.8 -9.3 -20.2 36.6 18 18 A N T 5 + 0 0 33 -4,-0.3 80,-2.9 1,-0.2 81,-0.5 0.910 58.7 148.3 56.7 49.9 -8.7 -20.1 32.8 19 19 A R B < -G 97 0C 71 -5,-2.9 78,-0.2 78,-0.3 2,-0.2 -0.901 55.2-109.6-116.6 141.1 -6.6 -16.9 32.8 20 20 A F + 0 0 0 76,-2.2 75,-3.8 73,-0.4 76,-0.2 -0.510 40.2 178.6 -69.9 134.1 -3.7 -16.0 30.4 21 21 A T > + 0 0 11 73,-0.2 3,-1.8 -2,-0.2 2,-0.2 0.874 14.6 154.0-105.5 -57.7 -0.5 -16.2 32.4 22 22 A G T 3 S- 0 0 1 1,-0.2 65,-0.3 67,-0.1 67,-0.2 -0.428 84.0 -9.4 57.1-121.4 2.7 -15.5 30.5 23 23 A W T 3 S+ 0 0 19 -2,-0.2 -1,-0.2 63,-0.1 2,-0.2 0.459 99.3 120.4 -92.3 -0.4 5.3 -14.2 32.9 24 24 A V < - 0 0 39 -3,-1.8 2,-1.6 1,-0.1 71,-0.1 -0.485 69.4-127.6 -63.3 129.0 3.0 -13.9 35.9 25 25 A D + 0 0 40 -2,-0.2 -1,-0.1 34,-0.1 2,-0.1 -0.354 44.7 160.8 -93.1 63.5 4.5 -16.1 38.5 26 26 A V - 0 0 17 -2,-1.6 34,-0.5 1,-0.1 2,-0.1 -0.361 29.0-128.4 -83.2 159.4 1.6 -18.3 39.6 27 27 A D - 0 0 43 1,-0.1 -14,-2.9 32,-0.1 -13,-0.3 -0.386 25.6 -85.2-108.3 171.5 1.9 -21.6 41.3 28 28 A L B -F 12 0B 13 -16,-0.3 -16,-0.3 31,-0.2 2,-0.1 -0.434 33.4-131.0 -76.9 154.3 0.6 -25.1 40.9 29 29 A T > - 0 0 16 -18,-2.0 4,-2.6 -2,-0.1 5,-0.2 -0.435 36.9 -97.4 -87.7 175.1 -2.7 -26.4 42.1 30 30 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 129.6 51.9 -61.5 -41.8 -3.0 -29.7 44.1 31 31 A Q H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.845 109.0 50.8 -59.1 -39.7 -3.9 -31.4 40.8 32 32 A G H > S+ 0 0 0 -21,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.886 108.8 51.5 -66.6 -39.4 -0.8 -29.8 39.2 33 33 A N H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.887 111.7 46.7 -60.0 -43.7 1.3 -31.1 42.0 34 34 A R H X S+ 0 0 139 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.888 108.7 54.5 -70.5 -38.3 -0.2 -34.6 41.5 35 35 A E H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 110.2 48.1 -57.1 -46.0 0.3 -34.4 37.7 36 36 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.914 110.7 49.5 -60.2 -48.2 4.0 -33.7 38.3 37 37 A R H X S+ 0 0 78 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.917 111.6 50.8 -56.3 -41.2 4.4 -36.5 40.9 38 38 A Q H X S+ 0 0 74 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.827 105.3 54.2 -72.4 -36.0 2.8 -38.9 38.3 39 39 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.886 109.3 50.7 -61.2 -40.2 5.1 -37.9 35.5 40 40 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.938 109.7 48.1 -63.0 -46.7 8.0 -38.7 37.8 41 41 A Q H X S+ 0 0 59 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.941 111.0 52.3 -57.5 -46.5 6.6 -42.1 38.7 42 42 A L H X S+ 0 0 62 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.899 112.6 43.8 -59.0 -42.3 6.1 -42.8 35.0 43 43 A L H <>S+ 0 0 1 -4,-2.2 5,-1.8 2,-0.2 4,-0.3 0.917 113.0 51.4 -72.4 -40.9 9.6 -41.9 34.0 44 44 A K H ><5S+ 0 0 117 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.884 111.8 47.3 -57.6 -45.7 11.1 -43.8 37.0 45 45 A E H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.726 108.3 55.6 -67.1 -28.6 9.1 -47.0 36.0 46 46 A A T 3<5S- 0 0 56 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.497 118.9-114.4 -81.7 -2.9 10.2 -46.6 32.4 47 47 A G T < 5 + 0 0 61 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.415 62.6 152.7 88.5 -0.6 13.8 -46.6 33.6 48 48 A Y < + 0 0 37 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.278 16.7 176.8 -62.9 140.1 14.6 -43.0 32.6 49 49 A T - 0 0 56 128,-0.0 2,-0.3 25,-0.0 25,-0.0 -0.908 13.4-147.9-131.8 173.3 17.2 -41.1 34.4 50 50 A F - 0 0 11 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.980 16.2-166.0-139.6 149.3 18.7 -37.6 34.0 51 51 A D S S+ 0 0 71 125,-3.1 2,-0.3 1,-0.3 126,-0.2 0.613 82.3 8.4-104.9 -24.4 22.0 -35.9 34.5 52 52 A I E -c 177 0A 12 124,-1.4 126,-1.4 25,-0.2 2,-0.4 -0.980 64.0-152.7-153.3 149.7 20.9 -32.3 34.3 53 53 A A E -cd 178 79A 2 25,-2.0 27,-2.6 -2,-0.3 2,-0.4 -0.987 3.2-156.1-128.8 151.5 17.6 -30.4 34.0 54 54 A Y E +cd 179 80A 5 124,-2.9 126,-2.5 -2,-0.4 2,-0.3 -0.955 23.8 156.6-118.3 141.4 16.7 -27.1 32.4 55 55 A T E -cd 180 81A 0 25,-2.5 27,-3.2 -2,-0.4 30,-0.2 -0.925 37.6 -97.9-150.0 179.1 13.7 -25.0 33.5 56 56 A S - 0 0 0 124,-0.7 27,-0.2 -2,-0.3 -1,-0.1 0.045 37.3-106.5 -80.7-167.7 12.4 -21.5 33.5 57 57 A V S S+ 0 0 9 25,-0.2 2,-0.5 24,-0.2 268,-0.2 0.166 89.2 103.9-103.8 14.8 12.5 -18.9 36.4 58 58 A L S >> S- 0 0 1 1,-0.1 4,-1.9 266,-0.1 3,-1.2 -0.854 73.0-135.4-105.7 131.2 8.8 -19.4 37.0 59 59 A K H 3> S+ 0 0 32 -2,-0.5 4,-3.2 1,-0.3 5,-0.2 0.634 97.8 64.3 -66.3 -22.5 7.8 -21.5 40.0 60 60 A R H 3> S+ 0 0 2 -34,-0.5 4,-1.1 2,-0.2 -50,-0.4 0.903 110.2 38.4 -68.0 -39.6 5.1 -23.5 38.3 61 61 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.878 118.9 50.7 -70.5 -39.5 7.7 -25.1 35.9 62 62 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.907 109.3 48.5 -70.6 -43.2 10.2 -25.3 38.8 63 63 A R H X S+ 0 0 28 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.821 108.4 55.6 -66.2 -29.9 7.8 -27.0 41.2 64 64 A T H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.2 -2,-0.2 0.954 108.5 47.4 -64.7 -45.0 6.9 -29.4 38.5 65 65 A L H X S+ 0 0 1 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.943 109.1 54.9 -55.3 -48.3 10.7 -30.3 38.2 66 66 A W H X S+ 0 0 19 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.907 108.3 48.1 -51.4 -52.5 10.9 -30.6 42.0 67 67 A H H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.912 114.2 46.3 -60.1 -40.8 8.1 -33.2 42.0 68 68 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.957 114.5 47.3 -65.6 -48.9 9.7 -35.2 39.2 69 69 A Q H X>S+ 0 0 9 -4,-3.6 5,-2.7 2,-0.2 4,-0.9 0.935 113.4 50.4 -55.2 -47.4 13.2 -35.0 40.8 70 70 A D H ><5S+ 0 0 37 -4,-3.0 3,-1.3 -5,-0.3 -2,-0.2 0.975 113.1 42.2 -58.1 -56.7 11.6 -36.0 44.2 71 71 A Q H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 119.2 47.4 -63.0 -30.0 9.7 -39.1 42.8 72 72 A M H 3<5S- 0 0 19 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.517 108.9-122.3 -82.8 -7.4 12.8 -40.1 40.7 73 73 A D T <<5S+ 0 0 62 -3,-1.3 -3,-0.2 -4,-0.9 -4,-0.1 0.905 78.0 121.9 55.5 46.8 15.3 -39.6 43.6 74 74 A L > < + 0 0 7 -5,-2.7 3,-1.3 -6,-0.2 -4,-0.2 -0.168 18.0 126.6-122.6 36.5 17.2 -37.1 41.5 75 75 A M T 3 S+ 0 0 2 -6,-0.4 -5,-0.1 1,-0.2 -1,-0.1 0.684 70.3 60.2 -68.0 -15.1 17.0 -34.0 43.9 76 76 A Y T 3 S+ 0 0 30 230,-0.2 -1,-0.2 -7,-0.1 254,-0.2 0.446 78.5 113.7 -92.1 -5.5 20.8 -33.7 43.6 77 77 A V S < S- 0 0 5 -3,-1.3 -25,-0.2 1,-0.1 -26,-0.1 -0.379 76.5 -97.0 -76.9 151.1 21.2 -33.1 39.9 78 78 A P - 0 0 71 0, 0.0 -25,-2.0 0, 0.0 2,-0.4 -0.393 40.4-165.3 -61.6 135.5 22.3 -29.8 38.4 79 79 A V E -d 53 0A 17 249,-0.4 2,-0.6 -27,-0.2 249,-0.5 -0.999 10.2-156.0-124.9 123.8 19.4 -27.5 37.3 80 80 A V E -d 54 0A 53 -27,-2.6 -25,-2.5 -2,-0.4 2,-0.6 -0.930 10.4-159.8 -99.6 120.2 19.9 -24.5 35.1 81 81 A H E +d 55 0A 36 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.911 18.0 179.7 -99.4 117.5 17.0 -22.1 35.7 82 82 A S > - 0 0 13 -27,-3.2 3,-2.6 -2,-0.6 -25,-0.2 -0.963 39.1-148.3-132.8 128.9 16.7 -19.7 32.7 83 83 A W G > S+ 0 0 40 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.740 98.7 73.9 -54.8 -23.7 14.4 -16.8 31.8 84 84 A R G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -29,-0.1 -28,-0.1 0.646 92.6 52.1 -68.8 -16.1 14.8 -18.0 28.2 85 85 A L G < S+ 0 0 0 -3,-2.6 97,-0.3 -30,-0.2 -29,-0.3 0.358 85.7 128.8 -96.9 3.5 12.6 -21.0 28.9 86 86 A N S < S- 0 0 0 -3,-1.6 3,-0.1 -4,-0.2 -63,-0.1 -0.194 72.1 -89.9 -55.2 148.9 9.8 -18.7 30.3 87 87 A E - 0 0 16 -65,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.233 58.7 -82.0 -56.0 145.8 6.4 -19.0 29.0 88 88 A R - 0 0 1 1,-0.1 2,-0.2 -3,-0.1 -1,-0.2 -0.298 57.0-105.0 -45.3 131.5 5.7 -16.8 26.0 89 89 A H - 0 0 3 -67,-0.2 61,-1.5 62,-0.2 -67,-0.1 -0.482 27.8-160.6 -71.1 129.2 4.8 -13.3 27.3 90 90 A Y > - 0 0 8 -2,-0.2 3,-1.7 1,-0.2 4,-0.4 0.247 19.2-157.4 -99.8 12.1 1.1 -12.5 27.2 91 91 A G G > - 0 0 0 1,-0.3 3,-1.6 2,-0.2 32,-0.3 -0.064 68.1 -11.4 50.5-140.2 1.3 -8.7 27.4 92 92 A A G 3 S+ 0 0 36 30,-2.2 -1,-0.3 1,-0.3 31,-0.1 0.394 129.2 71.0 -76.6 1.3 -1.8 -6.8 28.6 93 93 A L G X S+ 0 0 4 -3,-1.7 3,-2.7 29,-0.5 -73,-0.4 0.703 70.5 116.3 -78.4 -24.3 -3.8 -10.1 28.3 94 94 A S T < S+ 0 0 3 -3,-1.6 -73,-0.2 -4,-0.4 3,-0.1 -0.206 82.6 14.5 -45.3 121.7 -1.9 -11.5 31.3 95 95 A G T 3 S+ 0 0 14 -75,-3.8 -1,-0.3 1,-0.3 2,-0.2 0.249 97.4 122.5 98.7 -14.9 -4.4 -12.1 34.1 96 96 A L S < S- 0 0 74 -3,-2.7 -76,-2.2 -76,-0.2 2,-0.4 -0.529 70.5-106.1 -86.8 149.8 -7.5 -11.8 31.9 97 97 A N B > -G 19 0C 38 -78,-0.2 4,-2.4 -2,-0.2 -78,-0.3 -0.623 22.0-145.2 -74.5 129.3 -10.1 -14.6 31.7 98 98 A K H > S+ 0 0 23 -80,-2.9 4,-1.8 -2,-0.4 -1,-0.1 0.805 97.9 46.9 -65.7 -37.6 -9.8 -16.4 28.3 99 99 A A H > S+ 0 0 13 -81,-0.5 4,-2.1 2,-0.2 148,-0.3 0.970 114.1 46.1 -69.5 -56.6 -13.5 -17.1 28.0 100 100 A E H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.876 112.9 53.0 -53.5 -36.5 -14.6 -13.5 29.0 101 101 A T H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.881 107.5 48.7 -67.9 -41.4 -11.9 -12.2 26.6 102 102 A A H X S+ 0 0 3 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.855 108.9 56.4 -63.6 -33.8 -13.3 -14.3 23.6 103 103 A A H < S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.810 113.5 39.6 -63.8 -33.2 -16.8 -12.9 24.5 104 104 A K H < S+ 0 0 155 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 130.8 22.2 -86.4 -38.3 -15.5 -9.3 24.2 105 105 A Y H < S- 0 0 111 -4,-2.3 4,-0.3 1,-0.2 -3,-0.2 0.528 112.7 -89.5-112.3 -9.4 -13.2 -9.7 21.1 106 106 A G X - 0 0 28 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 -0.063 28.6-102.2 106.0 145.4 -14.3 -12.7 19.1 107 107 A D H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.829 122.1 57.0 -69.6 -31.6 -13.3 -16.3 19.3 108 108 A E H > S+ 0 0 163 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.943 104.3 49.5 -61.5 -54.3 -11.1 -15.7 16.2 109 109 A Q H > S+ 0 0 68 -4,-0.3 4,-2.5 1,-0.3 -2,-0.2 0.933 110.7 50.3 -55.5 -47.3 -9.2 -12.9 17.8 110 110 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.849 108.4 52.9 -59.7 -32.9 -8.5 -15.0 20.9 111 111 A L H X>S+ 0 0 89 -4,-1.7 4,-2.7 -3,-0.3 5,-0.7 0.929 109.1 49.8 -69.5 -41.6 -7.3 -17.9 18.6 112 112 A V H X5S+ 0 0 50 -4,-2.6 4,-1.2 3,-0.2 7,-0.3 0.940 113.0 47.4 -53.9 -49.9 -4.8 -15.5 16.8 113 113 A W H <5S+ 0 0 25 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 119.7 37.2 -63.5 -41.1 -3.6 -14.3 20.2 114 114 A R H <5S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.858 133.1 14.2 -79.5 -36.2 -3.1 -17.9 21.6 115 115 A R H <5S+ 0 0 15 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.698 87.0 108.1-125.1 -21.6 -1.9 -19.8 18.7 116 116 A S << - 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