==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-MAY-06 2H4X . COMPND 2 MOLECULE: BISPHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,W.GONG . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.7 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 . 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 . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 32.7 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 . 0 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 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 2 A S 0 0 81 0, 0.0 222,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.6 40.2 64.6 78.0 2 3 A K - 0 0 108 220,-0.1 2,-0.4 221,-0.1 220,-0.2 -0.938 360.0-165.8-119.8 141.1 42.1 61.4 77.4 3 4 A Y E -A 221 0A 39 218,-2.6 218,-3.2 -2,-0.4 2,-0.4 -0.979 4.3-156.1-130.3 141.2 41.3 58.0 78.8 4 5 A K E +A 220 0A 112 -2,-0.4 178,-0.4 216,-0.2 2,-0.3 -0.908 13.0 178.3-117.5 145.1 43.3 54.8 79.0 5 6 A L E -A 219 0A 2 214,-2.2 214,-1.9 -2,-0.4 2,-0.4 -0.952 19.3-137.0-139.8 157.7 42.1 51.2 79.3 6 7 A I E +Ab 218 183A 2 176,-2.1 178,-2.6 -2,-0.3 2,-0.3 -0.967 24.4 166.9-121.0 132.0 43.6 47.7 79.4 7 8 A M E +Ab 217 184A 1 210,-2.1 210,-2.8 -2,-0.4 2,-0.3 -0.950 5.8 164.5-136.5 156.1 42.4 44.7 77.5 8 9 A L E - b 0 185A 0 176,-1.8 178,-2.7 -2,-0.3 2,-0.4 -0.980 33.9-118.1-164.5 161.8 44.0 41.4 77.0 9 10 A R E - b 0 186A 30 203,-0.4 205,-1.9 206,-0.4 206,-0.4 -0.887 43.7-104.6-108.0 142.9 43.4 37.8 75.9 10 11 A H - 0 0 13 176,-1.4 204,-0.7 -2,-0.4 -1,-0.1 0.048 39.4 -95.2 -58.3 171.6 44.0 35.0 78.4 11 12 A G - 0 0 1 22,-0.4 22,-0.2 202,-0.2 -1,-0.1 -0.026 57.8 -49.5 -80.0-172.2 47.0 32.7 78.4 12 13 A E - 0 0 24 20,-0.1 18,-1.7 201,-0.1 21,-0.4 -0.076 45.9-172.5 -61.8 154.4 47.4 29.2 76.9 13 14 A G B >> -G 29 0B 5 16,-0.2 3,-1.4 20,-0.1 4,-0.7 -0.791 45.7 -85.2-135.4 176.6 45.2 26.2 77.4 14 15 A A H >> S+ 0 0 48 14,-0.6 4,-1.2 1,-0.3 3,-0.6 0.901 124.9 54.9 -55.5 -45.4 45.6 22.5 76.4 15 16 A W H 3>>S+ 0 0 16 1,-0.2 5,-2.3 2,-0.2 4,-0.8 0.642 92.7 74.2 -66.4 -12.5 44.3 23.0 72.9 16 17 A N H X45S+ 0 0 43 -3,-1.4 3,-0.6 2,-0.2 -1,-0.2 0.962 102.4 37.7 -64.3 -52.0 46.8 25.8 72.2 17 18 A K H <<5S+ 0 0 88 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.825 116.5 54.0 -67.7 -31.7 49.7 23.3 71.9 18 19 A E H 3<5S- 0 0 92 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.641 107.8-132.8 -75.3 -15.3 47.4 20.9 70.1 19 20 A N T <<5 + 0 0 17 -4,-0.8 80,-2.4 -3,-0.6 81,-0.4 0.924 52.7 146.6 62.4 48.6 46.6 23.8 67.7 20 21 A R B < -H 98 0C 57 -5,-2.3 78,-0.2 78,-0.2 -1,-0.2 -0.942 57.0-108.1-119.0 137.6 42.8 23.3 67.8 21 22 A F + 0 0 0 76,-2.2 75,-2.9 -2,-0.4 76,-0.1 -0.424 38.7 175.6 -59.1 127.5 40.1 25.9 67.6 22 23 A C > + 0 0 17 73,-0.2 3,-2.1 -2,-0.1 -1,-0.2 0.840 20.0 142.6-101.9 -54.7 38.6 26.3 71.1 23 24 A S T 3 S+ 0 0 5 1,-0.3 65,-0.2 67,-0.1 4,-0.2 -0.192 78.3 3.6 54.1-125.6 36.1 29.1 70.9 24 25 A W T 3 S+ 0 0 2 65,-0.1 2,-0.4 63,-0.1 -1,-0.3 0.512 98.0 113.0 -73.4 -4.3 33.0 28.5 73.0 25 26 A V S < S- 0 0 6 -3,-2.1 2,-2.3 1,-0.1 110,-0.1 -0.576 75.6-128.0 -67.3 126.6 34.3 25.2 74.5 26 27 A D + 0 0 35 -2,-0.4 2,-0.1 108,-0.1 -1,-0.1 -0.261 44.6 168.0 -76.9 56.8 34.7 26.2 78.2 27 28 A Q - 0 0 35 -2,-2.3 34,-0.4 -4,-0.2 2,-0.1 -0.439 29.8-126.9 -73.2 142.1 38.4 25.0 78.4 28 29 A K - 0 0 100 -2,-0.1 -14,-0.6 1,-0.1 -1,-0.1 -0.440 26.8 -99.4 -84.3 160.4 40.4 25.9 81.5 29 30 A L B -G 13 0B 12 -16,-0.2 -16,-0.2 -2,-0.1 2,-0.2 -0.372 38.1-136.2 -69.9 157.4 43.8 27.6 81.4 30 31 A N > - 0 0 40 -18,-1.7 4,-2.3 -2,-0.0 5,-0.2 -0.464 38.6 -79.8-104.2-175.0 46.7 25.2 82.0 31 32 A S H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 132.8 48.0 -51.3 -48.5 49.7 25.9 84.2 32 33 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 110.1 52.0 -60.9 -42.0 51.4 28.0 81.6 33 34 A G H > S+ 0 0 0 -21,-0.4 4,-1.5 2,-0.2 -22,-0.4 0.859 108.9 50.4 -64.1 -36.5 48.2 30.0 81.0 34 35 A M H X S+ 0 0 69 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.925 109.8 50.5 -66.8 -43.4 47.8 30.7 84.7 35 36 A E H X S+ 0 0 81 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.886 105.8 56.4 -61.8 -38.5 51.4 31.9 84.8 36 37 A E H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 106.8 50.3 -59.9 -39.4 50.8 34.2 81.9 37 38 A A H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.934 109.2 50.1 -64.3 -46.2 47.9 35.8 83.8 38 39 A R H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.876 108.3 54.2 -60.9 -36.5 50.2 36.3 86.9 39 40 A N H X S+ 0 0 72 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.920 107.5 49.6 -63.6 -42.9 52.8 37.9 84.6 40 41 A C H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.898 109.7 52.2 -62.0 -40.2 50.2 40.4 83.3 41 42 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 108.1 50.9 -62.4 -41.6 49.2 41.2 86.9 42 43 A K H X S+ 0 0 106 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.866 110.0 49.5 -64.4 -37.3 52.8 41.9 87.8 43 44 A Q H X S+ 0 0 56 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.931 112.3 47.6 -66.9 -45.3 53.3 44.2 84.9 44 45 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -2,-0.2 0.861 109.8 52.9 -64.8 -35.2 50.1 46.1 85.8 45 46 A K H ><5S+ 0 0 127 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.923 105.1 55.6 -65.2 -42.1 51.2 46.3 89.4 46 47 A A H 3<5S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.878 107.5 48.5 -55.6 -40.0 54.5 47.8 88.2 47 48 A L T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.373 116.0-122.0 -82.3 4.8 52.5 50.5 86.4 48 49 A N T < 5 - 0 0 135 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.837 42.0-175.7 57.5 38.9 50.6 51.0 89.7 49 50 A F < - 0 0 39 -5,-2.5 2,-0.4 1,-0.1 -1,-0.2 -0.429 13.8-168.0 -66.8 138.5 47.2 50.3 88.1 50 51 A E - 0 0 111 -2,-0.1 131,-0.3 132,-0.0 -1,-0.1 -0.855 15.4-154.0-128.6 90.9 44.3 50.7 90.4 51 52 A F - 0 0 0 -2,-0.4 131,-0.2 1,-0.1 3,-0.1 -0.334 20.0-172.8 -70.7 150.5 41.3 49.2 88.7 52 53 A D S S+ 0 0 44 129,-2.9 2,-0.3 1,-0.4 130,-0.2 0.620 74.1 10.2-110.3 -28.7 37.7 50.2 89.4 53 54 A L E -c 182 0A 35 128,-1.3 130,-1.7 25,-0.1 2,-0.4 -0.987 59.5-153.8-154.9 146.5 35.9 47.6 87.3 54 55 A V E -cd 183 80A 1 25,-2.4 27,-2.6 -2,-0.3 2,-0.4 -0.987 8.5-163.4-126.4 130.0 36.7 44.4 85.5 55 56 A F E +cd 184 81A 6 128,-2.8 130,-2.9 -2,-0.4 2,-0.2 -0.931 17.6 162.2-114.3 137.2 34.8 43.0 82.5 56 57 A T E -cd 185 82A 0 25,-2.5 27,-2.2 -2,-0.4 30,-0.2 -0.827 36.1-105.9-140.4 176.9 35.1 39.4 81.3 57 58 A S - 0 0 0 128,-0.6 27,-0.2 2,-0.3 -1,-0.1 -0.288 38.5-107.1 -92.9-174.4 33.2 36.8 79.2 58 59 A V S S+ 0 0 10 25,-0.4 2,-0.6 24,-0.1 275,-0.2 0.324 89.4 107.5 -98.4 8.0 31.4 33.8 80.7 59 60 A L S >> S- 0 0 0 24,-0.2 3,-1.7 1,-0.1 4,-1.3 -0.760 75.7-133.5 -83.6 124.3 34.1 31.4 79.5 60 61 A N H 3> S+ 0 0 5 -2,-0.6 4,-3.2 1,-0.3 5,-0.3 0.747 98.9 66.7 -55.4 -25.9 35.9 30.5 82.7 61 62 A R H 3> S+ 0 0 14 -34,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.843 103.6 45.2 -66.7 -29.8 39.4 31.0 81.3 62 63 A S H <> S+ 0 0 0 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.840 114.9 49.0 -79.3 -32.3 38.8 34.8 81.0 63 64 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.934 111.1 47.8 -70.8 -46.8 37.3 34.9 84.5 64 65 A H H X S+ 0 0 26 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.869 109.2 55.7 -62.1 -35.7 40.2 32.9 86.0 65 66 A T H X S+ 0 0 1 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.943 108.7 47.0 -61.2 -46.7 42.6 35.2 84.2 66 67 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.911 110.9 52.0 -60.7 -44.8 40.9 38.3 85.8 67 68 A W H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.890 110.0 48.6 -60.4 -41.0 41.0 36.7 89.2 68 69 A L H X S+ 0 0 23 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.880 112.0 48.7 -67.4 -38.8 44.7 35.9 88.9 69 70 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.938 111.0 50.3 -65.8 -46.5 45.5 39.5 87.8 70 71 A L H X>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 4,-1.0 0.853 109.4 51.9 -60.9 -35.3 43.4 40.9 90.7 71 72 A E H ><5S+ 0 0 61 -4,-1.9 3,-0.6 2,-0.2 -1,-0.2 0.921 106.7 52.0 -68.1 -42.5 45.3 38.7 93.2 72 73 A E H 3<5S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 115.3 43.9 -60.1 -32.4 48.7 39.9 91.9 73 74 A L H 3<5S- 0 0 21 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.596 108.0-124.4 -87.2 -14.9 47.4 43.5 92.4 74 75 A G T <<5S+ 0 0 30 -4,-1.0 -3,-0.2 -3,-0.6 3,-0.1 0.859 79.5 119.0 70.4 33.5 45.8 42.8 95.8 75 76 A Q > < + 0 0 15 -5,-3.0 3,-2.2 -6,-0.2 -4,-0.2 -0.109 16.0 134.5-122.8 35.7 42.6 44.1 94.3 76 77 A E T 3 + 0 0 5 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.678 68.3 65.1 -59.3 -18.3 40.3 41.1 94.6 77 78 A W T 3 S+ 0 0 25 237,-0.2 -1,-0.3 -3,-0.1 261,-0.2 0.595 74.0 113.7 -81.1 -12.7 37.6 43.4 96.0 78 79 A V S < S- 0 0 3 -3,-2.2 -25,-0.1 1,-0.1 -26,-0.1 -0.409 80.1-100.8 -63.7 129.7 37.3 45.2 92.6 79 80 A P - 0 0 68 0, 0.0 -25,-2.4 0, 0.0 2,-0.4 -0.214 38.0-162.3 -54.9 134.3 33.9 44.6 91.0 80 81 A V E -d 54 0A 34 256,-0.4 256,-0.5 -27,-0.2 2,-0.4 -0.941 6.4-170.8-120.0 139.4 33.8 42.0 88.2 81 82 A E E -d 55 0A 59 -27,-2.6 -25,-2.5 -2,-0.4 2,-0.4 -0.999 5.1-162.4-132.2 132.0 31.1 41.6 85.5 82 83 A S E +d 56 0A 35 -2,-0.4 2,-0.3 251,-0.2 -25,-0.3 -0.935 11.7 172.8-118.4 137.4 30.9 38.7 83.1 83 84 A S > - 0 0 16 -27,-2.2 3,-1.7 -2,-0.4 -25,-0.4 -0.997 40.6-131.8-143.3 146.1 28.9 38.6 79.9 84 85 A W G > S+ 0 0 12 -2,-0.3 3,-1.9 1,-0.3 -27,-0.1 0.736 102.5 77.4 -66.2 -19.1 28.5 36.2 76.9 85 86 A R G 3 S+ 0 0 42 1,-0.3 -1,-0.3 79,-0.1 82,-0.1 0.614 94.1 48.0 -68.3 -8.6 28.9 39.3 74.8 86 87 A L G < S+ 0 0 3 -3,-1.7 101,-0.3 -30,-0.2 -1,-0.3 0.340 86.4 127.2-107.9 2.1 32.6 39.2 75.4 87 88 A N S < S- 0 0 0 -3,-1.9 100,-0.1 -4,-0.2 3,-0.1 -0.154 72.7 -91.6 -55.7 153.0 32.8 35.5 74.6 88 89 A E - 0 0 13 -65,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.271 60.7 -76.2 -63.5 155.9 35.4 34.5 72.0 89 90 A R - 0 0 0 1,-0.1 2,-0.7 -3,-0.1 -1,-0.1 -0.280 51.5-112.5 -55.4 137.6 34.1 34.4 68.4 90 91 A H - 0 0 0 66,-0.2 65,-2.5 -67,-0.1 -1,-0.1 -0.658 26.7-166.8 -78.4 111.0 32.0 31.3 67.8 91 92 A Y > - 0 0 7 -2,-0.7 3,-2.0 1,-0.2 4,-0.2 0.347 19.6-161.7 -81.1 7.2 33.8 29.0 65.4 92 93 A G G > - 0 0 0 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 -0.158 68.7 -1.5 51.3-135.5 30.8 26.8 64.7 93 94 A A G 3 S+ 0 0 29 30,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.690 125.8 71.0 -59.7 -21.0 31.6 23.4 63.2 94 95 A L G X S+ 0 0 8 -3,-2.0 3,-2.2 29,-0.5 -73,-0.4 0.644 70.9 118.3 -72.5 -13.8 35.3 24.3 63.1 95 96 A I T < S+ 0 0 1 -3,-2.0 -73,-0.2 1,-0.3 36,-0.2 -0.280 81.3 12.8 -55.7 132.5 35.4 24.0 66.9 96 97 A G T 3 S+ 0 0 7 -75,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.276 98.5 125.2 84.4 -12.7 37.8 21.3 68.0 97 98 A L < - 0 0 67 -3,-2.2 -76,-2.2 1,-0.1 2,-0.4 -0.486 67.8-107.6 -82.0 152.9 39.4 21.0 64.6 98 99 A N B > -H 20 0C 54 -78,-0.2 4,-1.9 -2,-0.1 -78,-0.2 -0.666 19.1-146.6 -81.4 126.5 43.1 21.3 64.0 99 100 A R H > S+ 0 0 30 -80,-2.4 4,-1.4 -2,-0.4 -1,-0.1 0.872 99.1 47.7 -60.4 -42.3 44.1 24.6 62.3 100 101 A E H > S+ 0 0 76 -81,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.894 109.1 54.2 -68.1 -38.3 47.1 23.0 60.4 101 102 A Q H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 107.4 51.5 -61.0 -38.5 44.9 20.1 59.3 102 103 A M H X S+ 0 0 13 -4,-1.9 4,-3.1 1,-0.2 5,-0.4 0.835 107.4 53.3 -67.3 -31.0 42.4 22.7 57.9 103 104 A A H X S+ 0 0 3 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.904 110.9 45.6 -69.3 -41.8 45.3 24.3 56.1 104 105 A L H < S+ 0 0 106 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.874 120.1 41.4 -67.8 -37.2 46.3 21.0 54.5 105 106 A N H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.900 133.9 15.2 -78.9 -42.5 42.7 20.3 53.6 106 107 A H H < S- 0 0 99 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.472 109.6-104.6-114.0 -4.6 41.4 23.7 52.4 107 108 A G X - 0 0 29 -4,-1.8 4,-1.7 -5,-0.4 5,-0.2 0.099 29.9 -88.0 94.6 150.1 44.6 25.7 51.8 108 109 A E H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.829 122.2 58.1 -62.9 -34.5 46.3 28.4 53.7 109 110 A E H > S+ 0 0 175 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 107.4 45.6 -62.4 -49.9 44.3 31.2 52.0 110 111 A Q H > S+ 0 0 66 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.878 112.8 50.8 -61.0 -40.8 40.9 29.8 53.1 111 112 A V H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.895 107.2 53.6 -65.7 -39.2 42.1 29.3 56.6 112 113 A R H X>S+ 0 0 113 -4,-2.2 4,-2.9 1,-0.2 5,-0.6 0.906 110.7 47.7 -62.3 -39.1 43.4 32.8 56.8 113 114 A L H X5S+ 0 0 61 -4,-1.9 4,-1.7 3,-0.2 7,-0.2 0.941 111.7 49.0 -66.5 -46.7 39.9 34.0 55.8 114 115 A W H <5S+ 0 0 27 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.930 120.3 37.6 -56.9 -45.7 38.2 31.8 58.3 115 116 A R H <5S+ 0 0 13 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.903 134.2 13.6 -74.3 -45.7 40.5 33.0 61.1 116 117 A R H <5S+ 0 0 18 -4,-2.9 -3,-0.2 -5,-0.2 93,-0.2 0.589 91.2 108.9-113.9 -11.9 41.0 36.7 60.4 117 118 A S << - 0 0 5 -4,-1.7 40,-0.5 -5,-0.6 87,-0.1 -0.166 58.8-139.6 -64.2 163.7 38.5 37.9 57.8 118 119 A Y S S+ 0 0 27 85,-0.3 40,-2.4 39,-0.1 41,-0.3 0.872 93.5 29.5 -91.1 -42.9 35.7 40.2 58.8 119 120 A N S S+ 0 0 85 38,-0.2 2,-0.3 37,-0.2 37,-0.1 0.632 86.7 108.0 -96.7 -16.1 32.8 38.9 56.8 120 121 A V - 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0 0 52 -2,-0.3 -2,-0.1 1,-0.1 -152,-0.0 -0.513 48.5 -85.9 -82.5 152.8 51.7 24.1 56.4 254 255 A K 0 0 88 -2,-0.2 -1,-0.1 1,-0.0 -5,-0.0 -0.248 360.0 360.0 -58.6 144.3 55.2 23.0 57.4 255 256 A Q 0 0 151 -3,-0.1 -1,-0.0 0, 0.0 -3,-0.0 -0.755 360.0 360.0-134.9 360.0 58.0 24.5 55.3 256 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 257 2 B S 0 0 62 0, 0.0 221,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 164.9 10.6 26.1 103.5 258 3 B K + 0 0 108 219,-0.7 2,-0.3 1,-0.1 220,-0.2 0.869 360.0 23.7 -71.4 -36.6 9.9 28.8 100.8 259 4 B Y E -I 477 0D 28 218,-2.3 218,-2.1 2,-0.0 2,-0.4 -0.937 63.6-153.0-132.6 155.7 13.5 29.8 100.3 260 5 B K E -I 476 0D 105 -2,-0.3 178,-0.6 216,-0.2 2,-0.3 -0.975 14.2-179.3-127.5 140.7 17.0 28.3 100.8 261 6 B L E -Ij 475 438D 0 214,-2.3 214,-2.7 -2,-0.4 2,-0.5 -0.984 14.5-149.6-139.3 147.2 20.2 30.1 101.5 262 7 B I E +Ij 474 439D 0 176,-2.2 178,-2.6 -2,-0.3 2,-0.3 -0.977 20.7 167.0-121.1 128.6 23.8 29.1 102.0 263 8 B M E +Ij 473 440D 0 210,-2.3 210,-2.5 -2,-0.5 2,-0.3 -0.938 5.8 162.4-133.7 157.8 26.3 31.0 104.2 264 9 B L E - 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