==== 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 ISOMERASE 05-DEC-05 2F90 . COMPND 2 MOLECULE: BISPHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,L.LIU,Z.WEI,W.GONG . 507 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.9 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 . 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 . 1 0.2 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 . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 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 1 4 1 0 2 2 0 0 2 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 PARALLEL BRIDGES PER LADDER . 6 2 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 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 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 3 A K 0 0 147 0, 0.0 2,-0.3 0, 0.0 220,-0.2 0.000 360.0 360.0 360.0 -49.9 41.8 61.4 77.0 2 4 A Y E -A 220 0A 51 218,-2.0 218,-2.3 2,-0.0 2,-0.4 -0.941 360.0-164.7-125.5 149.2 40.4 58.1 78.1 3 5 A K E +A 219 0A 104 -2,-0.3 178,-0.5 216,-0.2 2,-0.3 -0.995 7.9 176.7-137.0 143.0 42.3 54.8 78.3 4 6 A L E -Ab 218 181A 0 214,-1.9 214,-1.8 -2,-0.4 2,-0.4 -0.957 23.5-128.1-140.0 158.8 41.1 51.2 78.7 5 7 A I E +Ab 217 182A 1 176,-2.6 178,-3.1 -2,-0.3 2,-0.3 -0.915 26.6 173.9-111.8 136.2 42.6 47.7 78.7 6 8 A M E +Ab 216 183A 0 210,-1.9 210,-2.8 -2,-0.4 2,-0.3 -0.944 6.4 169.8-134.7 152.0 41.5 44.9 76.5 7 9 A L E - b 0 184A 2 176,-1.7 178,-2.3 -2,-0.3 2,-0.3 -0.989 34.8-113.8-164.5 158.0 43.0 41.4 76.0 8 10 A R E - b 0 185A 14 203,-0.5 205,-1.8 206,-0.4 206,-0.3 -0.742 53.2 -94.8 -91.2 140.8 42.6 38.0 74.6 9 11 A H - 0 0 3 176,-1.4 204,-0.7 -2,-0.3 52,-0.1 -0.059 48.8 -90.6 -52.4 155.8 42.3 35.2 77.2 10 12 A G - 0 0 0 50,-0.4 22,-0.2 202,-0.2 -1,-0.1 -0.239 63.8 -66.0 -66.2 159.6 45.4 33.3 78.2 11 13 A E - 0 0 21 20,-0.2 18,-1.9 17,-0.1 21,-0.4 -0.079 54.1-165.5 -48.3 140.1 46.3 30.2 76.3 12 14 A G B >> -G 28 0B 0 16,-0.3 4,-1.7 -3,-0.1 3,-0.9 -0.784 38.0 -95.9-122.5 169.1 44.0 27.2 76.6 13 15 A A H 3> S+ 0 0 37 14,-0.8 4,-2.6 -2,-0.3 5,-0.2 0.869 123.8 53.9 -53.5 -41.3 44.5 23.6 75.7 14 16 A W H 3>>S+ 0 0 26 1,-0.2 5,-2.5 2,-0.2 4,-0.7 0.797 104.6 54.6 -66.2 -29.0 42.9 24.1 72.3 15 17 A N H <45S+ 0 0 18 -3,-0.9 -1,-0.2 3,-0.2 3,-0.2 0.901 111.6 44.9 -69.2 -40.6 45.2 26.9 71.5 16 18 A K H <5S+ 0 0 137 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 116.7 44.4 -68.4 -41.9 48.2 24.6 72.2 17 19 A E H <5S- 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.530 111.1-125.1 -79.4 -8.1 46.6 21.7 70.2 18 20 A N T <5 + 0 0 19 -4,-0.7 80,-2.4 1,-0.2 81,-0.4 0.903 59.4 140.5 63.1 48.9 45.7 24.2 67.4 19 21 A R B < -H 97 0C 61 -5,-2.5 78,-0.2 78,-0.3 -1,-0.2 -0.968 61.1-106.2-121.8 135.7 41.9 23.5 67.2 20 22 A F + 0 0 0 76,-2.5 75,-3.3 -2,-0.4 76,-0.1 -0.411 42.4 173.4 -58.0 127.0 39.2 26.1 66.7 21 23 A C > + 0 0 7 73,-0.2 3,-2.4 -2,-0.1 -1,-0.2 0.812 15.5 146.2-105.5 -51.8 37.5 26.4 70.2 22 24 A S T 3 S+ 0 0 4 1,-0.3 65,-0.2 67,-0.1 4,-0.2 -0.173 79.3 3.8 51.4-125.7 35.0 29.3 69.9 23 25 A W T 3 S+ 0 0 3 65,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.543 99.9 111.2 -70.8 -6.4 32.0 28.6 72.1 24 26 A V S < S- 0 0 7 -3,-2.4 2,-1.8 1,-0.1 110,-0.1 -0.571 77.3-125.9 -67.7 130.6 33.3 25.4 73.6 25 27 A D + 0 0 41 -2,-0.3 -1,-0.1 108,-0.1 -2,-0.1 -0.306 42.9 170.8 -79.7 56.1 34.0 26.3 77.2 26 28 A Q - 0 0 14 -2,-1.8 34,-0.4 -4,-0.2 2,-0.1 -0.287 26.2-129.8 -65.8 149.5 37.6 25.3 77.4 27 29 A K - 0 0 105 1,-0.1 -14,-0.8 32,-0.1 2,-0.1 -0.467 29.1 -91.4 -93.9 169.1 39.6 26.3 80.6 28 30 A L B -G 12 0B 14 -16,-0.2 -16,-0.3 -2,-0.1 2,-0.2 -0.441 40.2-139.5 -73.6 153.2 43.0 28.0 80.7 29 31 A N > - 0 0 25 -18,-1.9 4,-2.2 -2,-0.1 5,-0.2 -0.510 37.3 -84.2-103.4-179.0 46.0 25.6 80.8 30 32 A S H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.915 130.6 49.8 -51.8 -47.3 49.1 26.1 82.9 31 33 A E H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.5 50.2 -59.6 -42.5 50.7 28.4 80.3 32 34 A G H > S+ 0 0 0 -21,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.848 107.3 52.8 -66.1 -36.1 47.6 30.5 80.0 33 35 A M H X S+ 0 0 86 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.893 110.4 49.1 -66.0 -38.4 47.2 31.0 83.7 34 36 A E H X S+ 0 0 106 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.895 109.3 51.9 -67.2 -39.7 50.8 32.2 83.8 35 37 A E H X S+ 0 0 42 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 110.8 48.3 -62.0 -43.3 50.1 34.6 80.9 36 38 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 111.3 49.2 -63.4 -44.5 47.1 36.0 82.8 37 39 A R H X S+ 0 0 68 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.855 109.3 53.3 -64.4 -33.5 49.2 36.4 85.9 38 40 A N H X S+ 0 0 72 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.881 106.0 52.8 -68.9 -35.9 51.9 38.2 83.9 39 41 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.920 109.0 51.0 -62.6 -42.7 49.2 40.6 82.5 40 42 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.903 109.1 49.6 -61.0 -42.9 48.3 41.3 86.1 41 43 A K H X S+ 0 0 107 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 110.6 50.0 -64.9 -40.0 51.9 42.0 87.1 42 44 A Q H X S+ 0 0 63 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.931 111.3 48.8 -64.4 -44.2 52.4 44.4 84.2 43 45 A L H <>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.845 110.1 51.4 -65.1 -33.6 49.2 46.2 85.1 44 46 A K H ><5S+ 0 0 130 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.907 104.5 56.7 -69.5 -40.4 50.2 46.5 88.7 45 47 A A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.6 50.2 -59.6 -27.4 53.6 47.9 87.7 46 48 A L T 3<5S- 0 0 97 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.314 115.8-118.3 -94.0 7.9 51.6 50.6 85.9 47 49 A N T < 5 + 0 0 130 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.748 46.1 179.4 64.4 26.1 49.5 51.4 88.9 48 50 A F < - 0 0 35 -5,-2.5 2,-0.4 1,-0.1 -1,-0.2 -0.372 12.8-172.3 -63.5 134.7 46.3 50.4 87.2 49 51 A E - 0 0 110 -2,-0.1 131,-0.3 132,-0.0 2,-0.1 -0.850 13.0-154.9-129.8 92.1 43.2 50.7 89.5 50 52 A F - 0 0 0 -2,-0.4 131,-0.2 1,-0.1 3,-0.1 -0.381 17.4-172.6 -71.1 146.1 40.2 49.2 87.7 51 53 A D S S+ 0 0 40 129,-2.3 2,-0.3 1,-0.4 130,-0.2 0.633 74.6 12.0-107.3 -26.4 36.7 50.4 88.6 52 54 A L E -c 181 0A 35 128,-1.1 130,-1.5 25,-0.1 2,-0.4 -0.988 61.3-153.9-154.5 146.4 34.8 47.8 86.5 53 55 A V E -cd 182 79A 1 25,-2.4 27,-2.5 -2,-0.3 2,-0.4 -0.978 7.2-164.8-125.5 134.6 35.6 44.6 84.6 54 56 A F E +cd 183 80A 6 128,-2.6 130,-2.7 -2,-0.4 2,-0.3 -0.958 16.8 161.2-120.3 136.7 33.7 43.1 81.6 55 57 A T E -cd 184 81A 0 25,-2.3 27,-2.3 -2,-0.4 30,-0.2 -0.843 36.6-105.5-140.6 176.7 34.1 39.5 80.4 56 58 A S - 0 0 0 128,-0.7 27,-0.2 2,-0.3 -1,-0.1 -0.271 39.6-104.8 -92.6-173.1 32.2 37.0 78.2 57 59 A V S S+ 0 0 10 25,-0.3 2,-0.5 24,-0.1 274,-0.2 0.342 91.7 104.2 -96.6 6.9 30.4 34.0 79.7 58 60 A L S >> S- 0 0 0 24,-0.2 3,-1.7 1,-0.1 4,-1.2 -0.784 76.4-133.6 -86.8 126.2 33.1 31.7 78.6 59 61 A N H 3> S+ 0 0 3 -2,-0.5 4,-3.3 1,-0.3 5,-0.3 0.712 97.7 68.3 -56.9 -23.8 35.1 30.8 81.7 60 62 A R H 3> S+ 0 0 3 -34,-0.4 4,-1.2 1,-0.2 -50,-0.4 0.829 103.2 44.8 -68.6 -26.9 38.5 31.3 80.1 61 63 A S H <> S+ 0 0 0 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.836 115.4 49.1 -81.1 -32.4 37.9 35.1 79.9 62 64 A I H X S+ 0 0 1 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.947 111.4 46.8 -69.8 -50.0 36.5 35.1 83.4 63 65 A H H X S+ 0 0 21 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.858 109.7 55.4 -60.9 -34.9 39.5 33.2 84.9 64 66 A T H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.945 111.1 44.7 -62.7 -45.0 41.9 35.5 83.0 65 67 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.917 111.4 52.4 -64.6 -44.4 40.2 38.5 84.7 66 68 A W H X S+ 0 0 15 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.894 110.2 48.4 -59.4 -41.9 40.2 36.8 88.1 67 69 A L H X S+ 0 0 24 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.905 111.6 50.2 -65.9 -40.6 43.9 36.1 87.9 68 70 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.934 110.9 49.1 -62.1 -46.6 44.6 39.7 86.8 69 71 A L H X>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 4,-1.1 0.866 109.0 52.4 -63.5 -36.2 42.5 41.0 89.7 70 72 A E H ><5S+ 0 0 34 -4,-2.1 3,-0.6 2,-0.2 -1,-0.2 0.930 107.2 51.7 -66.5 -42.1 44.3 38.8 92.3 71 73 A E H 3<5S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.2 43.9 -60.4 -33.2 47.7 40.0 91.0 72 74 A L H 3<5S- 0 0 21 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.588 108.8-123.4 -86.3 -13.9 46.4 43.6 91.5 73 75 A G T <<5S+ 0 0 30 -4,-1.1 -3,-0.2 -3,-0.6 3,-0.2 0.803 79.8 119.6 73.0 27.4 44.8 42.9 94.9 74 76 A Q > < + 0 0 14 -5,-2.8 3,-2.4 -6,-0.2 -4,-0.2 -0.057 14.7 132.7-116.5 33.1 41.6 44.2 93.3 75 77 A E T 3 + 0 0 4 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.706 69.0 65.8 -57.0 -19.5 39.3 41.1 93.6 76 78 A W T 3 S+ 0 0 21 -3,-0.2 -1,-0.3 236,-0.2 260,-0.2 0.599 72.7 113.7 -79.9 -12.0 36.6 43.4 95.0 77 79 A V S < S- 0 0 3 -3,-2.4 -25,-0.1 1,-0.1 -26,-0.1 -0.421 79.7-101.3 -64.2 129.6 36.2 45.3 91.7 78 80 A P - 0 0 68 0, 0.0 -25,-2.4 0, 0.0 2,-0.4 -0.189 37.7-160.1 -53.9 136.1 32.8 44.7 90.1 79 81 A V E -d 53 0A 35 255,-0.4 255,-0.5 -27,-0.2 2,-0.4 -0.957 8.5-172.4-121.5 138.2 32.7 42.1 87.3 80 82 A E E -d 54 0A 58 -27,-2.5 -25,-2.3 -2,-0.4 2,-0.4 -0.997 6.6-162.3-129.6 135.3 30.0 41.8 84.6 81 83 A S E +d 55 0A 34 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.958 10.9 174.7-122.0 138.7 29.8 39.0 82.1 82 84 A S > - 0 0 14 -27,-2.3 3,-1.7 -2,-0.4 -25,-0.3 -0.997 39.6-132.5-143.5 146.4 27.9 38.8 78.9 83 85 A W G > S+ 0 0 12 -2,-0.3 3,-1.7 1,-0.3 -27,-0.1 0.724 102.8 77.1 -66.8 -19.2 27.5 36.5 75.9 84 86 A R G 3 S+ 0 0 40 1,-0.3 -1,-0.3 79,-0.1 82,-0.1 0.586 94.4 47.7 -68.9 -8.2 27.9 39.6 73.8 85 87 A L G < S+ 0 0 2 -3,-1.7 101,-0.3 -30,-0.2 -1,-0.3 0.343 87.0 125.7-108.1 0.9 31.7 39.5 74.5 86 88 A N S < S- 0 0 0 -3,-1.7 100,-0.1 -4,-0.2 3,-0.1 -0.163 73.3 -91.1 -56.1 153.9 31.8 35.8 73.7 87 89 A E - 0 0 12 -65,-0.2 -1,-0.1 1,-0.1 -64,-0.0 -0.219 58.3 -77.4 -63.4 158.8 34.4 34.7 71.1 88 90 A R - 0 0 0 1,-0.1 2,-0.8 -3,-0.1 -1,-0.1 -0.311 51.4-111.1 -57.8 141.1 33.2 34.6 67.5 89 91 A H - 0 0 0 66,-0.2 65,-2.5 -67,-0.1 -1,-0.1 -0.686 27.2-167.2 -81.5 109.2 31.1 31.5 66.8 90 92 A Y > - 0 0 6 -2,-0.8 3,-1.9 1,-0.2 4,-0.2 0.344 21.2-162.9 -77.6 6.2 33.1 29.3 64.4 91 93 A G G > - 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 -0.135 67.1 -0.4 50.8-134.0 30.1 27.1 63.7 92 94 A A G 3 S+ 0 0 31 30,-2.8 -1,-0.3 1,-0.3 4,-0.1 0.684 124.6 71.4 -61.2 -20.1 30.9 23.7 62.2 93 95 A L G X S+ 0 0 8 -3,-1.9 3,-2.1 29,-0.5 -73,-0.4 0.675 71.3 116.9 -71.1 -16.8 34.7 24.5 62.2 94 96 A I T < S+ 0 0 0 -3,-1.9 -73,-0.2 1,-0.3 36,-0.2 -0.270 79.5 16.7 -54.4 131.8 34.6 24.2 66.0 95 97 A G T 3 S+ 0 0 11 -75,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.181 98.1 121.2 90.7 -17.7 36.8 21.3 67.2 96 98 A L < - 0 0 68 -3,-2.1 -76,-2.5 -4,-0.1 2,-0.3 -0.524 69.3-108.4 -83.6 148.4 38.7 21.1 63.9 97 99 A N B > -H 19 0C 56 -78,-0.2 4,-2.0 -2,-0.2 -78,-0.3 -0.584 19.6-143.2 -77.1 128.3 42.5 21.5 63.6 98 100 A R H > S+ 0 0 13 -80,-2.4 4,-1.7 -2,-0.3 5,-0.1 0.909 100.1 46.8 -58.4 -47.6 43.5 24.8 61.9 99 101 A E H > S+ 0 0 73 -81,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.871 109.9 54.6 -64.4 -36.5 46.5 23.4 60.1 100 102 A Q H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 107.2 50.9 -63.5 -37.3 44.4 20.4 58.9 101 103 A M H X S+ 0 0 12 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.870 107.8 52.8 -68.1 -34.1 41.9 22.9 57.5 102 104 A A H X S+ 0 0 2 -4,-1.7 4,-1.7 147,-0.2 -2,-0.2 0.883 111.7 46.7 -67.1 -37.5 44.8 24.7 55.7 103 105 A L H < S+ 0 0 96 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.926 118.7 39.9 -69.4 -44.7 45.8 21.4 54.2 104 106 A N H < S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.842 134.9 17.1 -74.7 -35.8 42.2 20.4 53.2 105 107 A H H < S- 0 0 101 -4,-3.0 4,-0.4 -5,-0.2 -3,-0.2 0.474 109.4-105.6-118.4 -3.6 41.0 23.8 52.0 106 108 A G X - 0 0 29 -4,-1.7 4,-1.7 -5,-0.4 5,-0.2 0.099 28.6 -89.1 93.8 151.1 44.2 25.9 51.4 107 109 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.888 120.2 57.9 -63.3 -42.6 45.8 28.7 53.3 108 110 A E H > S+ 0 0 169 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 108.8 44.3 -55.3 -49.8 43.9 31.5 51.5 109 111 A Q H > S+ 0 0 72 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.912 112.6 51.2 -63.5 -44.5 40.4 30.1 52.5 110 112 A V H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.899 107.6 54.0 -60.5 -39.9 41.4 29.5 56.1 111 113 A R H X>S+ 0 0 105 -4,-2.5 4,-2.9 2,-0.2 5,-0.7 0.917 108.9 48.8 -61.6 -41.3 42.7 33.1 56.3 112 114 A L H X5S+ 0 0 76 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.958 111.8 49.0 -62.7 -48.4 39.3 34.3 55.1 113 115 A W H <5S+ 0 0 27 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.900 119.9 37.3 -56.5 -43.6 37.6 32.1 57.7 114 116 A R H <5S+ 0 0 11 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.883 133.8 12.4 -78.9 -41.7 39.8 33.3 60.5 115 117 A R H <5S+ 0 0 15 -4,-2.9 -3,-0.2 -5,-0.2 93,-0.2 0.633 91.0 105.8-117.3 -16.5 40.4 37.0 59.8 116 118 A S << - 0 0 9 -4,-1.5 40,-0.6 -5,-0.7 87,-0.1 -0.189 60.9-136.6 -64.0 162.6 38.0 38.4 57.1 117 119 A Y S S+ 0 0 26 85,-0.4 40,-2.5 39,-0.1 41,-0.3 0.885 93.7 30.1 -88.2 -42.7 35.2 40.6 58.1 118 120 A N S S+ 0 0 92 38,-0.2 2,-0.2 37,-0.1 37,-0.1 0.685 86.6 105.7 -95.5 -20.7 32.3 39.2 55.9 119 121 A V - 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0 0 67 0, 0.0 -25,-2.1 0, 0.0 2,-0.4 -0.190 37.2-159.6 -53.7 137.5 26.8 37.3 88.7 334 81 B V E -m 308 0D 30 -255,-0.5 -255,-0.4 -27,-0.2 2,-0.4 -0.958 8.8-173.9-122.3 139.0 28.7 38.3 91.8 335 82 B E E -m 309 0D 63 -27,-2.2 -25,-2.3 -2,-0.4 2,-0.4 -0.997 7.2-161.1-132.0 136.9 28.1 41.4 93.9 336 83 B S E +m 310 0D 40 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.3 -0.942 10.5 174.9-123.9 143.5 30.3 42.5 96.8 337 84 B S > - 0 0 13 -27,-2.1 3,-1.7 -2,-0.4 -25,-0.3 -1.000 39.1-131.8-146.8 146.0 29.7 44.8 99.8 338 85 B W G > S+ 0 0 15 -2,-0.3 3,-1.6 1,-0.3 -27,-0.1 0.728 103.1 76.9 -66.4 -18.8 31.5 46.0 102.9 339 86 B R G 3 S+ 0 0 37 1,-0.3 -1,-0.3 79,-0.1 83,-0.1 0.595 94.5 47.7 -69.0 -8.8 28.2 45.2 104.7 340 87 B L G < S+ 0 0 2 -3,-1.7 101,-0.4 -30,-0.2 -1,-0.3 0.370 87.0 124.9-107.2 -0.9 29.1 41.5 104.5 341 88 B N S < S- 0 0 0 -3,-1.6 100,-0.1 -4,-0.2 3,-0.1 -0.146 73.6 -90.1 -55.0 153.8 32.6 42.2 105.8 342 89 B E - 0 0 13 -65,-0.2 -1,-0.1 1,-0.2 -64,-0.0 -0.206 58.7 -76.9 -63.1 158.5 33.6 40.2 108.9 343 90 B R - 0 0 1 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.315 51.3-111.6 -57.5 138.6 33.0 41.8 112.3 344 91 B H - 0 0 0 66,-0.2 65,-2.5 -67,-0.1 -1,-0.1 -0.660 27.5-167.6 -79.0 109.1 35.5 44.5 113.1 345 92 B Y > - 0 0 7 -2,-0.8 3,-1.9 1,-0.2 4,-0.2 0.370 21.0-163.2 -78.4 5.6 37.7 43.2 116.0 346 93 B G G > + 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 -0.151 67.2 0.1 51.0-133.7 39.2 46.7 116.5 347 94 B A G 3 S+ 0 0 35 30,-2.6 -1,-0.3 1,-0.3 4,-0.1 0.698 124.7 71.2 -60.3 -20.4 42.4 46.7 118.6 348 95 B L G X S+ 0 0 13 -3,-1.9 3,-2.1 29,-0.4 -73,-0.4 0.681 71.1 116.8 -71.0 -17.2 42.2 42.9 118.9 349 96 B I T < S+ 0 0 1 -3,-1.9 -73,-0.2 1,-0.3 36,-0.2 -0.266 79.3 17.0 -54.3 131.2 43.1 42.6 115.3 350 97 B G T 3 S+ 0 0 13 -75,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.150 97.3 121.4 92.4 -19.2 46.5 40.8 114.9 351 98 B L < - 0 0 71 -3,-2.1 -76,-2.3 -4,-0.1 2,-0.4 -0.480 68.6-108.6 -81.7 150.1 46.5 39.4 118.4 352 99 B N B > -Q 274 0F 56 -78,-0.2 4,-2.2 -2,-0.2 -78,-0.2 -0.640 18.3-149.5 -80.4 125.4 46.7 35.7 119.1 353 100 B R H > S+ 0 0 14 -80,-1.9 4,-1.9 -2,-0.4 -1,-0.1 0.918 96.5 44.6 -59.3 -49.3 43.5 34.2 120.5 354 101 B E H > S+ 0 0 68 -81,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.886 111.9 52.2 -64.9 -41.8 45.2 31.5 122.6 355 102 B Q H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 109.4 51.2 -60.8 -42.2 47.8 33.9 124.0 356 103 B M H X S+ 0 0 24 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.892 109.7 49.4 -61.7 -39.3 45.0 36.2 125.0 357 104 B A H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.875 110.3 51.7 -66.6 -36.7 43.3 33.3 126.7 358 105 B L H < S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.919 118.3 36.9 -64.6 -43.8 46.6 32.5 128.4 359 106 B N H < S+ 0 0 88 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.832 134.2 18.8 -79.4 -36.6 46.9 36.1 129.6 360 107 B H H < S- 0 0 109 -4,-3.2 4,-0.2 -5,-0.2 -3,-0.2 0.430 112.8 -91.0-119.5 1.6 43.3 37.0 130.4 361 108 B G >X - 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0 0 48 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.901 43.1-179.7 63.5 41.1 15.2 34.6 115.3 455 202 B I < - 0 0 26 -5,-1.9 -1,-0.2 -6,-0.3 -2,-0.0 -0.564 27.1-113.6 -76.4 136.3 18.0 33.5 117.7 456 203 B S > - 0 0 37 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.192 23.0-108.7 -67.6 160.6 18.0 35.3 121.0 457 204 B D T 4 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.2 -85,-0.3 0.818 122.5 46.3 -57.2 -29.7 20.7 37.7 122.2 458 205 B E T >4 S+ 0 0 132 2,-0.1 3,-1.2 1,-0.1 4,-0.3 0.957 110.8 47.2 -77.7 -55.6 21.6 34.9 124.6 459 206 B D G >4 S+ 0 0 98 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.779 97.0 70.8 -59.8 -31.6 21.6 31.8 122.3 460 207 B I G >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.811 86.1 69.7 -57.8 -28.7 23.6 33.4 119.5 461 208 B I G < S+ 0 0 63 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.796 96.1 52.9 -58.9 -29.9 26.7 33.3 121.8 462 209 B N G < S+ 0 0 122 -3,-1.8 2,-0.6 -4,-0.3 -1,-0.3 0.379 86.1 100.3 -89.3 2.9 26.7 29.4 121.4 463 210 B I < + 0 0 37 -3,-1.8 2,-0.4 -4,-0.2 -17,-0.0 -0.824 45.9 173.6 -96.6 119.6 26.7 29.4 117.6 464 211 B T - 0 0 13 -2,-0.6 34,-0.1 -18,-0.0 38,-0.1 -0.989 16.2-152.8-125.5 130.1 30.1 28.8 116.0 465 212 B L - 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0 0 97 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.603 54.0-152.4 -73.2 115.3 29.3 14.8 107.4 491 238 B Q H > S+ 0 0 76 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.801 93.1 52.6 -60.1 -31.8 28.0 16.0 110.8 492 239 B E H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 111.8 44.2 -70.4 -45.9 30.9 14.4 112.7 493 240 B A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.868 116.3 48.7 -64.9 -36.6 33.6 16.1 110.6 494 241 B I H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.900 110.5 48.9 -71.0 -41.3 31.7 19.4 110.7 495 242 B Q H X S+ 0 0 102 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.874 109.8 53.9 -65.2 -36.0 31.2 19.2 114.5 496 243 B A H X S+ 0 0 62 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.907 107.6 50.4 -63.3 -41.1 35.0 18.5 114.7 497 244 B A H X S+ 0 0 21 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.880 109.8 50.3 -64.0 -39.2 35.7 21.6 112.7 498 245 B I H X S+ 0 0 13 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.895 108.5 51.6 -66.2 -40.7 33.5 23.7 115.0 499 246 B K H X S+ 0 0 116 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.871 105.1 57.1 -63.6 -36.4 35.2 22.4 118.0 500 247 B K H X S+ 0 0 104 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.874 107.4 48.3 -61.7 -37.8 38.5 23.3 116.4 501 248 B V H >< S+ 0 0 7 -4,-1.4 3,-0.9 1,-0.2 4,-0.4 0.920 112.5 47.7 -68.1 -44.7 37.3 26.9 116.2 502 249 B E H >< S+ 0 0 80 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.872 108.1 56.6 -64.3 -36.7 36.1 26.9 119.8 503 250 B D H >< S+ 0 0 55 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.609 86.0 78.2 -72.6 -12.0 39.5 25.4 120.9 504 251 B Q T << S+ 0 0 29 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.791 95.7 50.5 -65.4 -24.9 41.4 28.3 119.3 505 252 B G T < S+ 0 0 4 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.252 97.4 88.0 -96.8 12.3 40.4 30.3 122.4 506 253 B K S < S- 0 0 75 -3,-1.6 2,-0.9 -141,-0.1 -148,-0.1 -0.823 84.3-109.2-112.5 151.9 41.5 27.7 124.9 507 254 B V 0 0 80 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.1 -0.710 360.0 360.0 -83.0 106.0 44.9 27.2 126.5 508 255 B K 0 0 125 -2,-0.9 -1,-0.2 -5,-0.1 -4,-0.0 -0.476 360.0 360.0 132.6 360.0 46.5 24.0 125.0