==== 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 26-NOV-08 3FDZ . COMPND 2 MOLECULE: 2,3-BISPHOSPHOGLYCERATE-DEPENDENT PHOSPHOGLYCERAT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 459 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.6 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 . 2 0.4 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.3 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 0 1 1 2 2 0 1 1 0 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 125 0, 0.0 2,-0.3 0, 0.0 216,-0.2 0.000 360.0 360.0 360.0 140.0 21.4 -40.1 19.6 2 2 A Y E -A 216 0A 46 214,-2.9 214,-3.1 2,-0.0 2,-0.4 -0.931 360.0-142.7-134.0 156.9 19.9 -38.1 22.4 3 3 A K E -A 215 0A 77 -2,-0.3 174,-0.6 212,-0.2 2,-0.4 -0.961 14.8-174.8-118.5 142.6 16.7 -37.8 24.4 4 4 A L E -Ab 214 177A 0 210,-2.5 210,-3.4 -2,-0.4 2,-0.4 -0.998 11.5-152.1-135.6 128.7 15.3 -34.4 25.6 5 5 A V E -Ab 213 178A 2 172,-2.0 174,-2.7 -2,-0.4 2,-0.4 -0.896 10.9-172.6-111.3 136.4 12.3 -34.3 27.8 6 6 A L E +Ab 212 179A 1 206,-2.5 206,-3.8 -2,-0.4 2,-0.3 -0.881 4.6 177.9-122.7 148.2 10.0 -31.3 27.8 7 7 A I E - b 0 180A 1 172,-1.4 174,-2.5 -2,-0.4 2,-0.3 -0.952 23.7-136.3-155.1 133.7 7.2 -30.7 30.2 8 8 A R E -cb 208 181A 41 199,-0.6 201,-1.9 202,-0.4 174,-0.2 -0.665 45.0 -92.7 -84.5 147.4 4.8 -27.9 30.6 9 9 A H - 0 0 1 172,-2.3 200,-0.3 -2,-0.3 52,-0.2 -0.214 49.3 -96.8 -57.0 153.4 4.2 -26.8 34.2 10 10 A G - 0 0 0 50,-0.4 22,-0.2 198,-0.2 199,-0.1 -0.002 68.2 -50.4 -59.8 176.3 1.2 -28.5 35.9 11 11 A E - 0 0 22 20,-0.2 18,-1.8 197,-0.1 21,-0.3 -0.233 63.4-152.9 -51.3 132.8 -2.1 -26.7 36.1 12 12 A S B > -G 28 0B 0 16,-0.3 4,-2.5 -3,-0.2 16,-0.3 -0.672 28.7-104.9-104.0 164.1 -1.7 -23.1 37.4 13 13 A T H > S+ 0 0 40 14,-2.7 4,-1.8 -2,-0.2 15,-0.1 0.885 124.4 43.7 -49.6 -40.9 -4.2 -20.9 39.2 14 14 A W H 4>S+ 0 0 34 13,-0.3 5,-2.9 2,-0.2 -1,-0.2 0.766 105.3 60.4 -88.2 -25.1 -4.8 -18.9 36.1 15 15 A N H >45S+ 0 0 31 3,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.957 112.4 41.7 -53.1 -51.9 -4.9 -22.0 33.8 16 16 A K H 3<5S+ 0 0 136 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 115.3 49.4 -66.0 -36.3 -7.9 -23.0 36.0 17 17 A E T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.389 110.3-124.6 -84.4 4.4 -9.2 -19.4 36.0 18 18 A N T < 5 + 0 0 68 -3,-1.1 80,-3.6 -4,-0.2 2,-0.4 0.889 59.3 149.4 58.4 43.2 -8.9 -19.2 32.2 19 19 A R B < -H 97 0C 73 -5,-2.9 78,-0.2 78,-0.3 -1,-0.2 -0.920 57.0-112.1-114.3 129.6 -6.7 -16.1 32.5 20 20 A F + 0 0 0 76,-2.2 75,-3.8 -2,-0.4 76,-0.2 -0.425 41.0 179.2 -51.8 125.5 -3.9 -15.0 30.2 21 21 A T > + 0 0 9 73,-0.2 3,-1.8 74,-0.1 69,-0.2 0.883 14.4 152.8-100.4 -58.5 -0.8 -15.5 32.4 22 22 A G T 3 S- 0 0 1 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.408 82.1 -11.0 62.4-128.3 2.4 -14.6 30.5 23 23 A W T 3 S+ 0 0 18 -2,-0.2 -1,-0.3 63,-0.1 2,-0.1 0.509 100.2 120.6 -85.9 -4.5 5.1 -13.4 32.9 24 24 A V < - 0 0 38 -3,-1.8 2,-1.3 1,-0.1 71,-0.1 -0.425 67.7-132.1 -55.9 130.1 2.7 -13.1 35.9 25 25 A D + 0 0 35 -2,-0.1 34,-0.2 34,-0.1 -1,-0.1 -0.241 41.8 163.9 -95.9 52.3 4.2 -15.4 38.4 26 26 A V - 0 0 15 -2,-1.3 34,-0.4 1,-0.1 2,-0.1 -0.190 30.0-122.8 -69.6 159.3 1.2 -17.4 39.5 27 27 A D - 0 0 48 1,-0.1 -14,-2.7 32,-0.1 -13,-0.3 -0.425 27.7 -86.1 -99.0 173.1 1.5 -20.7 41.3 28 28 A L B -G 12 0B 12 -16,-0.3 -16,-0.3 31,-0.2 -1,-0.1 -0.466 35.8-131.1 -72.0 144.6 0.3 -24.3 40.7 29 29 A T > - 0 0 11 -18,-1.8 4,-2.2 -2,-0.2 5,-0.1 -0.319 37.7 -97.2 -76.2 177.9 -3.2 -25.4 41.9 30 30 A E H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.885 130.4 54.7 -66.7 -38.3 -3.3 -28.6 43.8 31 31 A Q H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 107.7 50.5 -54.7 -44.4 -4.3 -30.3 40.5 32 32 A G H > S+ 0 0 0 -21,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.885 107.2 52.6 -65.5 -40.2 -1.1 -28.8 39.1 33 33 A N H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 111.2 47.7 -59.5 -40.9 1.0 -30.1 41.9 34 34 A R H X S+ 0 0 139 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.879 109.4 51.7 -71.1 -38.7 -0.4 -33.6 41.3 35 35 A E H X S+ 0 0 33 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.936 111.5 48.6 -60.1 -45.1 0.2 -33.4 37.5 36 36 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.932 113.3 46.8 -60.4 -46.8 3.8 -32.4 38.3 37 37 A R H X S+ 0 0 68 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 112.5 49.9 -58.9 -46.4 4.1 -35.3 40.8 38 38 A Q H X S+ 0 0 82 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.905 107.4 53.2 -64.5 -42.6 2.5 -37.8 38.4 39 39 A A H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.896 109.0 51.1 -56.8 -41.6 4.8 -36.7 35.5 40 40 A G H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.942 111.7 45.9 -58.6 -50.2 7.8 -37.4 37.9 41 41 A Q H X S+ 0 0 69 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.904 111.4 53.0 -59.0 -46.0 6.5 -40.8 38.8 42 42 A L H X S+ 0 0 56 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.922 112.4 43.8 -57.4 -46.3 5.9 -41.5 35.1 43 43 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.3 0.923 114.1 50.8 -66.7 -40.2 9.4 -40.6 34.2 44 44 A K H ><5S+ 0 0 110 -4,-3.0 3,-0.8 3,-0.2 -2,-0.2 0.899 113.0 45.7 -60.3 -44.3 10.8 -42.5 37.2 45 45 A E H 3<5S+ 0 0 145 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 107.8 56.3 -67.8 -40.6 8.8 -45.6 36.2 46 46 A A T 3<5S- 0 0 58 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.603 118.1-117.3 -66.2 -6.7 9.9 -45.2 32.6 47 47 A G T < 5 + 0 0 62 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.598 62.2 154.5 80.7 12.8 13.5 -45.4 34.0 48 48 A Y < + 0 0 38 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.419 17.2 177.9 -72.9 143.0 14.2 -41.8 32.8 49 49 A T - 0 0 55 -2,-0.1 2,-0.3 -3,-0.1 25,-0.0 -0.952 14.2-145.9-140.2 168.9 16.8 -39.8 34.6 50 50 A F - 0 0 10 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.949 16.2-168.4-134.9 148.8 18.3 -36.4 34.2 51 51 A D S S+ 0 0 66 125,-3.7 2,-0.3 1,-0.4 126,-0.2 0.633 83.8 8.8-103.1 -25.9 21.7 -34.8 34.8 52 52 A I E -d 177 0A 25 124,-1.6 126,-1.8 25,-0.2 -1,-0.4 -0.983 65.2-152.3-154.2 148.2 20.5 -31.2 34.5 53 53 A A E -de 178 79A 1 25,-2.4 27,-2.8 -2,-0.3 2,-0.4 -0.972 3.7-153.5-129.7 150.3 17.3 -29.4 34.2 54 54 A Y E +de 179 80A 5 124,-3.0 126,-2.9 -2,-0.4 2,-0.3 -0.958 24.1 157.0-119.4 140.7 16.3 -26.1 32.6 55 55 A T E -de 180 81A 0 25,-3.0 27,-3.7 -2,-0.4 30,-0.3 -0.899 36.3-103.6-149.6 179.0 13.4 -24.0 33.7 56 56 A S - 0 0 0 124,-0.7 27,-0.3 2,-0.3 -1,-0.1 -0.099 38.8-104.5 -90.8-166.2 12.0 -20.4 33.6 57 57 A V S S+ 0 0 7 25,-0.2 2,-0.5 24,-0.1 250,-0.2 0.230 89.7 105.6-104.4 14.4 12.0 -17.9 36.5 58 58 A L S >> S- 0 0 0 1,-0.1 4,-2.1 248,-0.1 3,-1.3 -0.832 70.9-138.4-104.6 128.0 8.3 -18.5 37.0 59 59 A K H 3> S+ 0 0 28 -2,-0.5 4,-3.2 1,-0.3 5,-0.3 0.662 98.8 64.1 -61.9 -22.9 7.4 -20.6 40.0 60 60 A R H 3> S+ 0 0 2 -34,-0.4 4,-1.0 2,-0.2 -50,-0.4 0.878 111.3 38.0 -72.3 -32.9 4.7 -22.6 38.2 61 61 A A H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.902 118.9 48.6 -76.2 -45.1 7.4 -24.0 36.0 62 62 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.912 110.2 50.5 -65.2 -43.3 10.0 -24.3 38.8 63 63 A R H X S+ 0 0 23 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.902 108.3 53.1 -64.0 -39.4 7.5 -26.0 41.2 64 64 A T H X S+ 0 0 0 -4,-1.0 4,-2.6 -5,-0.3 -2,-0.2 0.957 109.5 49.1 -54.2 -53.0 6.6 -28.5 38.6 65 65 A L H X S+ 0 0 1 -4,-2.4 4,-3.8 1,-0.2 5,-0.2 0.919 109.7 52.7 -50.9 -47.0 10.4 -29.2 38.2 66 66 A W H X S+ 0 0 16 -4,-2.7 4,-3.6 1,-0.2 -1,-0.2 0.915 109.5 47.2 -56.7 -49.5 10.6 -29.6 42.0 67 67 A H H X S+ 0 0 27 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.885 114.1 48.4 -59.9 -42.4 7.8 -32.1 42.1 68 68 A V H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.973 114.5 44.7 -61.4 -54.4 9.4 -34.0 39.2 69 69 A Q H X>S+ 0 0 6 -4,-3.8 5,-3.2 2,-0.2 4,-0.8 0.905 113.8 51.9 -55.7 -45.6 12.9 -33.9 40.9 70 70 A D H ><5S+ 0 0 38 -4,-3.6 3,-1.2 -5,-0.2 -2,-0.2 0.966 112.5 43.0 -52.6 -60.4 11.2 -34.9 44.2 71 71 A Q H 3<5S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.732 119.1 45.2 -58.7 -25.6 9.4 -37.9 42.7 72 72 A M H 3<5S- 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.506 109.7-120.7 -98.9 -3.4 12.5 -38.9 40.7 73 73 A D T <<5S+ 0 0 50 -3,-1.2 -3,-0.2 -4,-0.8 -4,-0.1 0.934 78.0 122.6 57.9 49.9 14.9 -38.5 43.6 74 74 A L > < + 0 0 6 -5,-3.2 3,-0.9 -8,-0.2 -4,-0.2 -0.273 15.9 128.3-129.2 45.3 16.9 -35.9 41.6 75 75 A M T 3 S+ 0 0 1 -6,-0.3 -5,-0.1 1,-0.2 -1,-0.1 0.632 71.1 60.0 -74.1 -11.3 16.6 -32.9 43.9 76 76 A Y T 3 S+ 0 0 30 212,-0.2 -1,-0.2 -7,-0.1 236,-0.2 0.459 78.2 112.3 -93.7 -7.3 20.4 -32.5 43.7 77 77 A V S < S- 0 0 4 -3,-0.9 -25,-0.2 1,-0.1 2,-0.1 -0.371 78.4 -96.2 -73.6 151.7 20.8 -31.9 40.0 78 78 A P - 0 0 70 0, 0.0 -25,-2.4 0, 0.0 2,-0.5 -0.410 40.7-163.2 -61.7 134.6 21.9 -28.6 38.5 79 79 A V E -e 53 0A 14 231,-0.5 2,-0.7 -27,-0.2 231,-0.5 -0.995 8.8-156.3-122.4 124.6 18.9 -26.5 37.5 80 80 A V E -e 54 0A 50 -27,-2.8 -25,-3.0 -2,-0.5 2,-0.7 -0.921 8.7-163.7 -97.0 113.2 19.3 -23.5 35.2 81 81 A H E +e 55 0A 30 -2,-0.7 2,-0.4 -27,-0.2 -25,-0.3 -0.897 16.8 178.5 -93.1 115.0 16.5 -21.1 35.8 82 82 A S > - 0 0 14 -27,-3.7 3,-2.1 -2,-0.7 -25,-0.2 -0.974 39.5-146.4-126.2 130.9 16.3 -18.8 32.8 83 83 A W G > S+ 0 0 34 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.756 99.3 76.4 -52.5 -26.7 14.0 -15.9 32.0 84 84 A R G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -29,-0.1 -28,-0.1 0.698 93.6 49.8 -62.2 -17.8 14.6 -17.1 28.4 85 85 A L G < S+ 0 0 0 -3,-2.1 97,-0.4 -30,-0.3 -1,-0.3 0.288 84.9 129.5 -99.8 2.4 12.3 -20.0 29.1 86 86 A N S < S- 0 0 0 -3,-2.2 96,-0.1 -31,-0.1 3,-0.1 -0.154 72.2 -90.6 -53.0 152.0 9.5 -17.7 30.5 87 87 A E - 0 0 14 -65,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.349 60.9 -81.6 -51.4 143.9 6.1 -18.1 29.2 88 88 A R - 0 0 1 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.294 55.8-103.9 -45.5 134.3 5.4 -15.8 26.2 89 89 A H - 0 0 3 -67,-0.2 61,-1.9 62,-0.1 -67,-0.1 -0.545 28.7-161.1 -71.7 129.4 4.6 -12.3 27.6 90 90 A Y > - 0 0 6 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.379 18.7-160.3 -97.6 0.6 0.9 -11.6 27.3 91 91 A G G > - 0 0 0 1,-0.3 3,-1.6 2,-0.2 32,-0.3 -0.214 67.8 -6.5 60.1-135.1 1.1 -7.8 27.6 92 92 A A G 3 S+ 0 0 30 30,-3.5 -1,-0.3 1,-0.3 31,-0.1 0.470 129.1 69.0 -75.6 -0.2 -2.1 -6.0 28.6 93 93 A L G X S+ 0 0 4 -3,-1.6 3,-2.6 29,-0.4 -73,-0.4 0.669 70.4 117.0 -86.9 -17.0 -3.9 -9.2 28.4 94 94 A S T < S+ 0 0 4 -3,-1.6 -73,-0.2 1,-0.3 3,-0.1 -0.203 83.6 12.9 -60.7 136.4 -2.2 -10.7 31.4 95 95 A G T 3 S+ 0 0 16 -75,-3.8 -1,-0.3 1,-0.3 2,-0.2 0.307 98.9 124.2 79.5 -13.3 -4.6 -11.4 34.2 96 96 A L S < S- 0 0 77 -3,-2.6 -76,-2.2 -76,-0.2 2,-0.3 -0.598 70.5-110.5 -77.5 142.1 -7.6 -11.0 31.9 97 97 A N B > -H 19 0C 38 -78,-0.2 4,-2.2 -2,-0.2 -78,-0.3 -0.581 22.1-142.2 -68.9 129.8 -10.2 -13.8 31.6 98 98 A K H > S+ 0 0 41 -80,-3.6 4,-2.1 -2,-0.3 -1,-0.1 0.855 97.2 51.0 -67.8 -35.7 -9.8 -15.3 28.1 99 99 A A H > S+ 0 0 54 -81,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.923 112.7 43.8 -68.0 -49.5 -13.6 -15.9 27.6 100 100 A E H > S+ 0 0 132 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.880 112.6 54.1 -62.3 -38.7 -14.6 -12.4 28.6 101 101 A T H >X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 3,-0.5 0.889 111.1 45.4 -58.8 -45.0 -11.8 -11.0 26.4 102 102 A A H 3X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.936 109.3 55.5 -60.1 -52.5 -13.2 -13.1 23.5 103 103 A A H 3< S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.626 117.3 38.0 -50.1 -19.2 -16.7 -11.8 24.3 104 104 A K H << S+ 0 0 154 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.821 130.4 21.9-107.1 -40.7 -15.3 -8.3 24.1 105 105 A Y H < S- 0 0 115 -4,-2.6 4,-0.4 1,-0.1 -3,-0.2 0.409 112.6-100.7-111.7 -4.0 -12.8 -8.3 21.2 106 106 A G X - 0 0 25 -4,-3.0 4,-2.9 -5,-0.3 5,-0.2 0.206 25.0 -93.3 95.8 144.9 -14.0 -11.3 19.2 107 107 A D H > S+ 0 0 125 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.914 124.3 52.2 -56.3 -46.4 -12.9 -14.9 18.9 108 108 A E H > S+ 0 0 152 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 111.6 45.9 -53.9 -53.6 -10.7 -14.1 15.8 109 109 A Q H > S+ 0 0 75 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.943 114.6 47.3 -56.8 -51.8 -9.0 -11.2 17.6 110 110 A V H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.960 112.1 49.8 -57.8 -50.4 -8.4 -13.3 20.7 111 111 A L H X>S+ 0 0 88 -4,-3.4 4,-2.7 1,-0.2 5,-0.7 0.834 108.6 53.0 -59.1 -34.5 -7.1 -16.3 18.6 112 112 A V H X5S+ 0 0 61 -4,-2.5 4,-1.4 -5,-0.2 7,-0.3 0.939 112.3 45.3 -67.2 -40.3 -4.7 -13.9 16.8 113 113 A W H <5S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 120.0 41.4 -60.7 -40.7 -3.4 -12.7 20.2 114 114 A R H <5S+ 0 0 55 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.824 135.1 8.5 -82.5 -33.6 -3.2 -16.3 21.5 115 115 A R H <5S+ 0 0 25 -4,-2.7 2,-0.2 -5,-0.2 -3,-0.2 0.503 84.5 117.3-135.5 -8.6 -1.8 -18.1 18.4 116 116 A S << - 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0 0 1 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.344 55.9-109.3 -53.6 134.3 29.8 -35.4 57.8 320 89 B H - 0 0 2 -67,-0.2 61,-1.8 62,-0.2 -67,-0.1 -0.592 26.5-161.0 -74.8 126.0 29.9 -39.0 56.7 321 90 B Y > - 0 0 8 -2,-0.4 3,-2.1 1,-0.2 4,-0.4 0.276 16.4-160.5 -95.8 9.9 29.0 -41.3 59.7 322 91 B G G > - 0 0 0 1,-0.3 3,-1.8 2,-0.2 32,-0.3 -0.137 69.5 -6.3 50.0-136.0 30.5 -44.5 58.3 323 92 B A G 3 S+ 0 0 34 30,-2.4 -1,-0.3 1,-0.3 31,-0.1 0.472 130.0 66.1 -76.8 -3.8 29.1 -47.7 60.0 324 93 B L G X S+ 0 0 4 -3,-2.1 3,-2.8 29,-0.5 -73,-0.4 0.677 70.9 116.4 -83.9 -18.9 27.2 -45.7 62.5 325 94 B S T < S+ 0 0 4 -3,-1.8 -73,-0.2 -4,-0.4 3,-0.1 -0.273 85.2 15.7 -52.1 121.2 24.9 -44.3 59.8 326 95 B G T 3 S+ 0 0 12 -75,-3.7 -1,-0.3 1,-0.4 2,-0.1 0.094 97.2 122.8 104.9 -23.9 21.5 -45.6 60.6 327 96 B L < - 0 0 69 -3,-2.8 -76,-2.2 -76,-0.1 2,-0.4 -0.443 69.6-111.6 -75.4 143.4 22.2 -46.6 64.1 328 97 B N B > -P 250 0F 39 -78,-0.2 4,-2.5 1,-0.1 -78,-0.3 -0.630 20.5-143.6 -71.3 125.6 20.2 -45.2 67.0 329 98 B K H > S+ 0 0 46 -80,-2.8 4,-2.1 -2,-0.4 5,-0.2 0.832 99.2 49.8 -58.5 -38.6 22.5 -42.9 69.1 330 99 B A H > S+ 0 0 57 -81,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.943 113.9 45.5 -68.8 -44.6 20.9 -43.9 72.4 331 100 B E H > S+ 0 0 138 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.857 113.3 50.4 -62.0 -40.8 21.2 -47.6 71.6 332 101 B T H X S+ 0 0 5 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.875 111.9 46.7 -63.8 -43.4 24.8 -47.1 70.4 333 102 B A H X S+ 0 0 12 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.854 110.1 53.6 -70.8 -37.5 25.8 -45.2 73.6 334 103 B A H < S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.862 118.0 38.1 -56.0 -37.5 24.1 -47.9 75.7 335 104 B K H < S+ 0 0 161 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.902 131.3 23.3 -86.7 -41.8 26.2 -50.5 73.9 336 105 B Y H < S- 0 0 116 -4,-3.1 4,-0.5 1,-0.2 -3,-0.2 0.360 115.1-101.0-108.6 2.5 29.6 -48.7 73.4 337 106 B G X - 0 0 33 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.149 28.3 -94.1 88.1 151.4 29.4 -46.2 76.3 338 107 B D H > S+ 0 0 122 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.841 122.6 57.1 -64.8 -35.3 28.5 -42.5 76.1 339 108 B E H > S+ 0 0 157 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.975 105.6 46.5 -64.0 -57.8 32.1 -41.6 76.0 340 109 B Q H >> S+ 0 0 75 -4,-0.5 4,-2.8 2,-0.2 3,-0.5 0.948 114.8 49.3 -42.5 -57.0 32.9 -43.7 72.9 341 110 B V H 3X S+ 0 0 10 -4,-1.8 4,-2.6 1,-0.3 -2,-0.2 0.903 108.7 52.1 -54.2 -48.3 29.8 -42.2 71.2 342 111 B L H 3X S+ 0 0 101 -4,-3.0 4,-2.8 2,-0.2 -1,-0.3 0.843 110.4 49.3 -56.0 -35.2 30.8 -38.7 72.2 343 112 B V H - 0 0 136 -2,-0.2 3,-2.2 1,-0.1 6,-0.1 -0.535 31.4-115.5 -63.5 143.5 33.1 -51.5 54.4 357 126 B P T 3 S+ 0 0 79 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.747 116.5 52.8 -55.0 -22.5 33.7 -50.6 50.7 358 127 B G T 3 S+ 0 0 75 3,-0.0 2,-0.1 4,-0.0 -2,-0.0 0.315 78.1 125.8 -98.5 7.3 31.0 -53.1 49.8 359 128 B D X - 0 0 40 -3,-2.2 3,-2.2 1,-0.1 -4,-0.0 -0.435 66.9-130.2 -67.4 139.1 28.3 -51.7 52.0 360 129 B E T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.903 110.7 59.4 -51.3 -39.7 25.1 -50.8 50.2 361 130 B R T 3 S+ 0 0 80 -36,-0.1 -1,-0.3 3,-0.0 -39,-0.1 0.439 79.6 112.9 -71.4 -5.9 25.4 -47.5 51.9 362 131 B A S < S- 0 0 13 -3,-2.2 3,-0.4 -6,-0.1 4,-0.1 -0.287 70.2-129.5 -66.9 157.6 28.8 -46.7 50.4 363 132 B P S > S+ 0 0 5 0, 0.0 3,-1.7 0, 0.0 6,-0.3 0.605 79.0 99.6 -91.1 -4.1 28.8 -43.7 47.9 364 133 B Y T 3 S+ 0 0 55 1,-0.3 8,-0.1 -7,-0.2 -3,-0.0 0.776 89.1 35.2 -54.2 -41.3 30.6 -45.3 45.0 365 134 B A T 3 S+ 0 0 101 -3,-0.4 -1,-0.3 3,-0.0 5,-0.1 0.408 89.0 116.2 -97.4 2.1 27.6 -46.2 42.8 366 135 B D X - 0 0 46 -3,-1.7 3,-1.8 1,-0.1 4,-0.3 -0.598 62.8-143.0 -75.8 121.9 25.5 -43.1 43.8 367 136 B P G > S+ 0 0 84 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.754 98.2 69.7 -56.3 -28.9 24.9 -40.8 40.7 368 137 B R G 3 S+ 0 0 31 1,-0.2 3,-0.3 2,-0.1 -54,-0.2 0.857 109.3 32.9 -53.6 -39.7 25.3 -37.8 43.1 369 138 B Y G X S+ 0 0 6 -3,-1.8 3,-2.8 -6,-0.3 -1,-0.2 0.320 82.3 119.2-103.4 8.0 29.0 -38.6 43.4 370 139 B A T < S+ 0 0 82 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.743 84.1 38.9 -45.3 -34.6 29.4 -40.0 39.8 371 140 B K T 3 S+ 0 0 102 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.397 91.0 104.9-101.3 1.9 32.0 -37.2 39.1 372 141 B V S < S- 0 0 13 -3,-2.8 5,-0.1 1,-0.1 -3,-0.1 -0.731 85.5-108.0 -83.6 124.1 33.7 -37.3 42.5 373 142 B P > - 0 0 57 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.288 29.7-122.3 -53.6 131.6 37.1 -39.0 42.2 374 143 B R G > S+ 0 0 160 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.821 109.4 56.2 -45.9 -44.0 36.6 -42.4 44.0 375 144 B E G 3 S+ 0 0 161 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.535 101.9 58.7 -75.4 -5.8 39.4 -41.8 46.5 376 145 B Q G < S+ 0 0 92 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.455 83.7 95.0 -97.8 -1.8 37.7 -38.6 47.6 377 146 B L S < S- 0 0 12 -3,-1.9 2,-0.1 -4,-0.3 -13,-0.1 -0.806 73.5-134.8 -90.9 121.7 34.5 -40.3 48.6 378 147 B P - 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