==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-06 2H06 . COMPND 2 MOLECULE: RIBOSE-PHOSPHATE PYROPHOSPHOKINASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LI,B.PENG,J.DING . 613 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.2 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 55 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 0 0 2 2 0 1 2 3 4 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 9 5 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 PARALLEL BRIDGES PER LADDER . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 3 A N 0 0 125 0, 0.0 49,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -39.7 -95.4 -52.7 24.8 2 4 A I E -a 50 0A 34 47,-0.2 2,-0.4 49,-0.1 49,-0.2 -0.755 360.0-177.5 -95.1 137.2 -98.2 -50.9 26.6 3 5 A K E -a 51 0A 41 47,-1.9 49,-2.6 -2,-0.4 2,-0.5 -0.998 9.9-160.8-135.1 134.3 -100.8 -52.8 28.6 4 6 A I E -a 52 0A 0 20,-0.5 22,-3.8 -2,-0.4 2,-0.3 -0.967 10.7-178.8-119.3 126.4 -103.9 -51.5 30.4 5 7 A F E -a 53 0A 0 47,-2.8 49,-2.8 -2,-0.5 2,-0.3 -0.864 13.6-143.7-119.1 154.8 -105.7 -53.4 33.1 6 8 A S E -a 54 0A 6 20,-0.4 2,-0.2 -2,-0.3 49,-0.2 -0.863 11.5-127.9-119.0 153.7 -108.8 -52.5 35.1 7 9 A G - 0 0 3 47,-1.8 50,-0.3 -2,-0.3 7,-0.1 -0.648 64.3 -16.1 -97.2 156.4 -109.8 -53.2 38.7 8 10 A S S S- 0 0 29 -2,-0.2 -2,-0.1 1,-0.2 22,-0.0 0.246 105.0 -53.0 45.3-170.6 -113.1 -54.8 39.9 9 11 A S S S+ 0 0 112 2,-0.0 -1,-0.2 49,-0.0 2,-0.1 0.747 109.3 108.0 -68.1 -24.3 -116.2 -55.1 37.7 10 12 A H + 0 0 11 1,-0.2 48,-0.1 2,-0.1 -3,-0.1 -0.377 28.7 138.3 -56.4 123.6 -115.8 -51.4 37.1 11 13 A Q > + 0 0 87 -2,-0.1 4,-4.2 -5,-0.1 5,-0.3 0.314 37.7 98.1-147.9 -2.2 -114.7 -51.0 33.6 12 14 A D H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.975 97.5 32.3 -55.9 -58.6 -116.7 -48.1 32.3 13 15 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 121.8 51.5 -63.8 -47.2 -113.8 -45.6 32.8 14 16 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.897 110.5 48.0 -55.9 -45.0 -111.2 -48.3 32.1 15 17 A Q H X S+ 0 0 67 -4,-4.2 4,-2.5 2,-0.2 -1,-0.2 0.890 109.1 53.5 -65.5 -40.2 -112.9 -49.2 28.8 16 18 A K H X S+ 0 0 70 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.929 111.3 47.5 -60.0 -43.1 -113.2 -45.6 27.8 17 19 A I H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.934 111.1 48.3 -64.6 -48.0 -109.5 -45.2 28.3 18 20 A A H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-0.6 0.917 111.3 52.4 -60.3 -42.3 -108.5 -48.3 26.5 19 21 A D H ><5S+ 0 0 97 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.951 105.6 52.7 -58.1 -51.5 -110.7 -47.3 23.5 20 22 A R H 3<5S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 113.0 46.2 -56.7 -24.9 -109.1 -43.9 23.2 21 23 A L H 3<5S- 0 0 35 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.478 116.2-114.6 -96.6 -3.5 -105.7 -45.5 23.1 22 24 A G T <<5S+ 0 0 66 -3,-2.0 2,-0.3 -4,-0.6 -3,-0.2 0.851 76.8 118.5 73.3 35.6 -106.8 -48.2 20.5 23 25 A L < - 0 0 52 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.3 -0.873 60.7-128.6-130.9 162.7 -106.4 -51.0 23.0 24 26 A E - 0 0 150 -2,-0.3 -20,-0.5 -3,-0.1 2,-0.1 -0.806 42.6 -96.4-105.5 152.2 -108.4 -53.7 24.7 25 27 A L - 0 0 24 -2,-0.3 -20,-0.2 1,-0.1 3,-0.1 -0.440 46.9-101.7 -69.0 139.8 -108.2 -54.1 28.5 26 28 A G - 0 0 8 -22,-3.8 2,-0.4 -2,-0.1 -20,-0.4 -0.211 40.0-102.5 -58.8 152.8 -105.7 -56.8 29.6 27 29 A K + 0 0 129 -22,-0.1 16,-2.5 -3,-0.1 17,-0.4 -0.641 47.3 168.5 -81.0 130.3 -107.1 -60.1 30.7 28 30 A V E -E 42 0B 36 -2,-0.4 2,-0.5 14,-0.3 14,-0.2 -0.928 27.1-143.9-148.5 121.1 -107.3 -60.7 34.4 29 31 A V E -E 41 0B 76 12,-2.6 12,-1.4 -2,-0.3 2,-0.5 -0.716 20.1-171.2 -83.7 126.9 -109.1 -63.4 36.4 30 32 A T E +E 40 0B 56 -2,-0.5 2,-0.6 10,-0.2 10,-0.2 -0.896 8.3 178.1-127.7 104.2 -110.6 -62.1 39.6 31 33 A K E -E 39 0B 149 8,-1.2 8,-0.9 -2,-0.5 2,-0.9 -0.907 17.5-150.9-106.8 118.6 -112.1 -64.5 42.2 32 34 A K E -E 38 0B 75 -2,-0.6 6,-0.2 6,-0.2 4,-0.1 -0.783 19.7-156.7 -93.6 105.3 -113.4 -63.0 45.5 33 35 A F - 0 0 110 4,-2.3 3,-0.4 -2,-0.9 -1,-0.1 0.560 36.2 -62.8 -53.9-151.3 -113.0 -65.6 48.2 34 36 A S S S+ 0 0 102 1,-0.2 2,-2.1 2,-0.1 -2,-0.0 0.977 127.9 30.8 -65.9 -92.3 -115.0 -65.8 51.5 35 37 A N S S- 0 0 118 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.077 131.0 -82.7 -63.0 30.9 -114.4 -62.8 53.7 36 38 A Q S S+ 0 0 79 -2,-2.1 2,-0.3 -3,-0.4 -1,-0.2 0.732 71.5 176.8 71.4 22.8 -114.0 -60.9 50.5 37 39 A E - 0 0 109 -5,-0.1 -4,-2.3 1,-0.1 2,-0.4 -0.469 31.6-124.2 -61.0 120.2 -110.4 -62.1 50.4 38 40 A T E -E 32 0B 24 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.557 30.2-174.3 -75.5 121.8 -109.3 -60.6 47.1 39 41 A C E +E 31 0B 44 -8,-0.9 -8,-1.2 -2,-0.4 2,-0.3 -0.972 7.7 174.6-120.1 123.2 -107.9 -63.0 44.6 40 42 A V E -E 30 0B 18 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.900 11.2-175.2-125.3 154.1 -106.4 -61.7 41.3 41 43 A E E -E 29 0B 129 -12,-1.4 -12,-2.6 -2,-0.3 2,-0.3 -0.839 26.9-128.8-155.2 111.8 -104.6 -63.4 38.5 42 44 A I E -E 28 0B 31 -2,-0.3 -14,-0.3 -14,-0.2 4,-0.1 -0.446 18.4-152.9 -61.1 116.8 -103.0 -61.6 35.5 43 45 A G + 0 0 40 -16,-2.5 2,-0.3 -2,-0.3 -15,-0.2 0.414 69.6 26.9 -76.2 1.3 -104.4 -63.5 32.5 44 46 A E S S- 0 0 50 -17,-0.4 2,-0.2 -18,-0.0 -18,-0.0 -0.969 93.8 -76.0-154.3 169.2 -101.5 -62.7 30.2 45 47 A S + 0 0 85 -2,-0.3 34,-0.1 1,-0.1 -2,-0.1 -0.453 33.2 172.8 -71.8 138.6 -97.8 -62.0 30.1 46 48 A V > + 0 0 2 32,-0.4 3,-2.8 -2,-0.2 35,-0.6 0.161 27.4 148.0-125.5 11.2 -96.7 -58.4 31.1 47 49 A R B 3 S-F 80 0C 166 1,-0.3 33,-0.3 33,-0.2 32,-0.2 -0.277 78.7 -4.3 -54.5 116.3 -93.0 -59.3 31.1 48 50 A G T 3 S+ 0 0 40 31,-2.8 -1,-0.3 1,-0.2 2,-0.2 0.619 105.7 132.4 75.2 12.3 -91.2 -56.2 30.0 49 51 A E < - 0 0 36 -3,-2.8 33,-1.8 30,-0.1 32,-1.2 -0.604 66.2-115.9 -99.4 161.8 -94.3 -54.2 29.4 50 52 A D E -ab 2 82A 8 -49,-3.0 -47,-1.9 31,-0.2 2,-0.3 -0.764 45.0-161.9 -92.9 90.9 -95.4 -50.6 30.4 51 53 A V E -ab 3 83A 0 31,-2.3 33,-2.8 -2,-1.2 2,-0.4 -0.624 15.7-171.9 -86.2 133.9 -98.4 -51.6 32.6 52 54 A Y E -ab 4 84A 0 -49,-2.6 -47,-2.8 -2,-0.3 2,-0.6 -0.987 5.0-163.5-124.3 123.5 -101.1 -49.2 33.7 53 55 A I E -ab 5 85A 0 31,-2.4 33,-2.4 -2,-0.4 2,-0.6 -0.923 8.1-152.6-111.5 112.3 -103.7 -50.3 36.2 54 56 A V E -ab 6 86A 0 -49,-2.8 -47,-1.8 -2,-0.6 33,-0.2 -0.762 25.7-118.5 -88.5 119.1 -106.9 -48.2 36.4 55 57 A Q - 0 0 17 31,-2.5 -41,-0.1 -2,-0.6 10,-0.1 -0.098 29.0-102.7 -53.6 148.1 -108.4 -48.3 39.8 56 58 A S - 0 0 4 8,-0.3 -48,-0.1 1,-0.1 -1,-0.1 -0.276 15.9-151.3 -68.6 156.4 -111.9 -49.7 40.4 57 59 A G + 0 0 12 -50,-0.3 2,-1.1 211,-0.1 -1,-0.1 -0.036 54.9 126.1-118.4 29.9 -114.8 -47.3 40.9 58 60 A C - 0 0 58 2,-0.1 2,-1.8 1,-0.1 6,-0.2 -0.624 69.8-118.5 -96.7 79.8 -116.8 -49.7 43.0 59 61 A G S S+ 0 0 79 -2,-1.1 2,-1.3 210,-0.1 -1,-0.1 0.037 87.0 95.1 27.5 -59.4 -117.7 -48.1 46.3 60 62 A E > - 0 0 94 -2,-1.8 4,-2.4 1,-0.2 3,-0.2 -0.455 57.2-167.9 -64.7 94.9 -115.9 -50.3 48.8 61 63 A I H > S+ 0 0 67 -2,-1.3 4,-2.5 1,-0.2 5,-0.2 0.823 81.1 49.0 -53.4 -42.4 -112.7 -48.3 49.3 62 64 A N H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 112.6 46.5 -70.6 -37.9 -110.8 -51.0 51.2 63 65 A D H > S+ 0 0 43 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 114.7 49.7 -67.3 -41.6 -111.6 -53.8 48.7 64 66 A N H X S+ 0 0 25 -4,-2.4 4,-2.2 2,-0.2 -8,-0.3 0.924 111.5 47.0 -61.5 -47.1 -110.7 -51.5 45.8 65 67 A L H X S+ 0 0 15 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 113.1 48.9 -63.4 -43.8 -107.4 -50.5 47.4 66 68 A M H X S+ 0 0 91 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.924 111.0 49.5 -63.7 -42.2 -106.4 -54.1 48.1 67 69 A E H X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.906 111.8 49.5 -63.2 -38.9 -107.3 -55.2 44.6 68 70 A L H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 113.4 46.1 -64.3 -44.1 -105.2 -52.4 43.2 69 71 A L H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 112.4 49.7 -65.1 -43.5 -102.3 -53.3 45.4 70 72 A I H X S+ 0 0 46 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.876 111.3 50.0 -64.4 -37.0 -102.5 -57.0 44.7 71 73 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.902 109.9 49.7 -69.2 -41.1 -102.6 -56.3 40.9 72 74 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.934 112.9 48.1 -61.3 -47.3 -99.6 -54.0 41.1 73 75 A N H X S+ 0 0 75 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.910 109.6 51.7 -61.7 -43.6 -97.7 -56.7 43.0 74 76 A A H < S+ 0 0 23 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.918 112.2 46.2 -60.9 -43.6 -98.7 -59.5 40.6 75 77 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.6 0.900 111.8 51.8 -65.8 -41.5 -97.5 -57.5 37.6 76 78 A K H ><5S+ 0 0 67 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.927 111.4 44.4 -63.1 -47.4 -94.2 -56.5 39.3 77 79 A I T 3<5S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.535 105.7 65.5 -75.8 -2.2 -93.3 -60.1 40.3 78 80 A A T < 5S- 0 0 32 -3,-0.6 -32,-0.4 -4,-0.4 -1,-0.3 0.174 122.1-108.2 -99.4 13.0 -94.3 -61.0 36.7 79 81 A S T < 5 + 0 0 55 -3,-1.5 -31,-2.8 1,-0.2 -3,-0.2 0.731 53.1 175.3 67.6 27.6 -91.4 -58.9 35.5 80 82 A A B < -F 47 0C 10 -5,-2.1 -33,-0.2 -33,-0.3 -1,-0.2 -0.311 34.0-131.3 -58.5 147.0 -93.5 -56.0 34.1 81 83 A S S S- 0 0 81 -32,-1.2 2,-0.3 -35,-0.6 -31,-0.2 0.916 82.7 -5.4 -68.8 -43.4 -91.1 -53.3 33.0 82 84 A R E -b 50 0A 80 -33,-1.8 -31,-2.3 2,-0.0 2,-0.5 -0.988 61.2-150.9-153.4 142.2 -93.0 -50.5 34.8 83 85 A V E -b 51 0A 0 35,-0.3 37,-3.2 -2,-0.3 38,-1.2 -0.962 12.1-174.2-122.9 117.8 -96.2 -50.3 36.8 84 86 A T E -bc 52 121A 0 -33,-2.8 -31,-2.4 -2,-0.5 2,-0.6 -0.912 16.1-145.5-109.4 131.4 -98.2 -47.0 36.9 85 87 A A E -bc 53 122A 0 36,-2.7 38,-2.7 -2,-0.4 2,-0.7 -0.877 8.8-158.9 -95.9 122.9 -101.3 -46.8 39.2 86 88 A V E +bc 54 123A 0 -33,-2.4 -31,-2.5 -2,-0.6 38,-0.2 -0.935 19.0 171.8-103.2 110.5 -104.0 -44.6 37.6 87 89 A I E - c 0 124A 1 36,-3.3 38,-0.7 -2,-0.7 3,-0.2 -0.766 16.9-176.8-126.0 84.8 -106.1 -43.4 40.5 88 90 A P S S+ 0 0 0 0, 0.0 37,-1.2 0, 0.0 2,-0.6 0.897 86.4 33.3 -44.4 -50.9 -108.7 -40.8 39.5 89 91 A C S S- 0 0 22 178,-0.3 37,-0.1 35,-0.1 38,-0.1 -0.922 89.0-138.5-114.4 107.3 -109.8 -40.5 43.1 90 92 A F > - 0 0 9 -2,-0.6 3,-1.5 35,-0.3 38,-0.2 -0.503 24.7-124.4 -68.0 116.8 -106.9 -41.0 45.6 91 93 A P T 3 S+ 0 0 19 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 -0.330 88.8 8.1 -64.9 143.1 -108.3 -43.1 48.5 92 94 A Y T > S+ 0 0 58 1,-0.1 3,-1.1 18,-0.1 15,-0.3 0.593 82.0 141.2 62.3 16.9 -107.9 -41.7 52.0 93 95 A A T < + 0 0 4 -3,-1.5 14,-0.1 1,-0.3 3,-0.1 0.814 66.1 59.2 -56.8 -33.3 -106.7 -38.4 50.5 94 96 A R T 3 S+ 0 0 118 1,-0.2 2,-1.9 2,-0.1 -1,-0.3 0.819 91.5 69.5 -66.0 -32.6 -108.7 -36.5 53.2 95 97 A Q < + 0 0 84 -3,-1.1 12,-2.9 1,-0.2 13,-0.4 -0.513 64.7 124.3 -86.3 69.7 -106.7 -38.2 56.0 96 98 A D + 0 0 3 -2,-1.9 2,-0.3 10,-0.2 345,-0.3 0.171 65.5 29.9-116.6 17.0 -103.6 -36.3 55.1 97 99 A K S S- 0 0 49 7,-0.3 9,-0.1 -3,-0.2 341,-0.1 -0.973 72.9-118.5-166.2 159.3 -102.7 -34.6 58.4 98 100 A K - 0 0 56 -2,-0.3 5,-0.1 339,-0.2 -1,-0.1 0.839 33.5-155.9 -74.4 -33.4 -103.1 -35.1 62.2 99 101 A D S S- 0 0 96 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.890 70.4 -51.4 57.8 44.6 -105.2 -32.0 62.7 100 102 A K S S+ 0 0 65 1,-0.2 2,-0.3 349,-0.1 -1,-0.2 0.875 119.4 96.8 61.5 42.2 -104.2 -31.8 66.4 101 103 A S S S- 0 0 71 2,-0.1 2,-1.9 -3,-0.0 -1,-0.2 -0.957 89.1 -99.8-151.1 165.8 -105.0 -35.4 67.2 102 104 A R S S+ 0 0 214 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 -0.511 75.6 141.3 -87.7 66.0 -103.5 -38.8 67.6 103 105 A A - 0 0 40 -2,-1.9 2,-0.1 -5,-0.1 -2,-0.1 -0.715 55.3-105.9-110.3 159.4 -104.7 -39.7 64.2 104 106 A P - 0 0 80 0, 0.0 2,-0.7 0, 0.0 -7,-0.3 -0.409 16.0-135.9 -78.9 154.7 -103.2 -41.6 61.3 105 107 A I >> + 0 0 30 1,-0.2 3,-1.9 -9,-0.1 4,-1.4 -0.654 37.0 174.8-107.3 66.4 -101.9 -39.8 58.2 106 108 A S H 3> + 0 0 12 -2,-0.7 4,-2.8 1,-0.3 -10,-0.2 0.710 68.4 61.7 -45.5 -33.4 -103.7 -42.5 56.2 107 109 A A H 3> S+ 0 0 0 -12,-2.9 4,-1.9 -15,-0.3 -1,-0.3 0.841 106.0 46.6 -69.4 -30.2 -102.9 -40.9 52.9 108 110 A K H <> S+ 0 0 13 -3,-1.9 4,-2.4 -13,-0.4 -2,-0.2 0.812 110.0 54.0 -77.8 -31.1 -99.2 -41.3 53.6 109 111 A L H X S+ 0 0 94 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.969 110.3 47.1 -64.2 -49.6 -99.9 -44.9 54.6 110 112 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.905 110.1 52.2 -57.5 -44.3 -101.6 -45.5 51.3 111 113 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.934 111.6 47.4 -58.6 -44.7 -98.8 -43.8 49.4 112 114 A N H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.869 110.4 51.6 -65.5 -37.2 -96.3 -46.1 51.2 113 115 A M H X S+ 0 0 52 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.910 110.4 48.2 -67.2 -40.6 -98.4 -49.2 50.5 114 116 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.6 0.903 113.0 49.4 -63.8 -42.7 -98.6 -48.4 46.8 115 117 A S H ><5S+ 0 0 38 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.973 113.3 43.3 -62.6 -54.3 -94.9 -47.8 46.7 116 118 A V H 3<5S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.703 105.3 64.7 -66.4 -17.6 -94.0 -51.1 48.5 117 119 A A H 3<5S- 0 0 11 -4,-1.2 -1,-0.3 -5,-0.2 -41,-0.2 0.721 127.2-101.2 -75.7 -17.7 -96.5 -52.9 46.3 118 120 A G T <<5 + 0 0 11 -3,-1.8 -35,-0.3 -4,-0.6 2,-0.2 0.549 63.6 160.1 112.5 10.3 -94.2 -51.9 43.4 119 121 A A < - 0 0 3 -5,-2.3 -1,-0.2 1,-0.2 -35,-0.2 -0.492 17.7-173.7 -67.6 129.3 -95.8 -48.8 41.8 120 122 A D + 0 0 53 -37,-3.2 2,-0.3 1,-0.3 -36,-0.2 0.615 68.8 13.2 -95.6 -17.5 -93.3 -46.9 39.8 121 123 A H E -c 84 0A 12 -38,-1.2 -36,-2.7 17,-0.1 2,-0.4 -0.990 63.2-146.2-158.6 148.7 -95.6 -44.0 38.9 122 124 A I E -cd 85 140A 0 17,-2.2 19,-2.4 -2,-0.3 2,-0.5 -0.965 7.1-171.7-123.7 139.6 -98.9 -42.5 40.0 123 125 A I E +cd 86 141A 0 -38,-2.7 -36,-3.3 -2,-0.4 2,-0.3 -0.988 25.7 150.6-127.9 118.2 -101.5 -40.7 37.8 124 126 A T E -cd 87 142A 0 17,-2.3 19,-2.8 -2,-0.5 2,-0.4 -0.823 36.8-120.3-138.6 177.7 -104.3 -39.1 39.7 125 127 A M E S- d 0 143A 0 -37,-1.2 -35,-0.3 -38,-0.7 19,-0.2 -0.992 76.0 -15.8-132.1 131.9 -106.7 -36.2 39.5 126 128 A D S S- 0 0 29 17,-2.8 -1,-0.2 -2,-0.4 18,-0.1 0.927 71.3-146.6 44.4 66.8 -107.3 -33.3 41.8 127 129 A L - 0 0 13 16,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.362 22.4-116.9 -56.3 138.5 -105.5 -34.6 44.9 128 130 A H S S+ 0 0 42 1,-0.2 2,-0.3 -38,-0.2 -1,-0.2 0.807 103.7 15.1 -49.6 -30.6 -107.4 -33.2 48.0 129 131 A A S > S- 0 0 13 1,-0.1 3,-2.2 309,-0.0 4,-0.3 -0.966 73.0-135.2-148.3 128.3 -104.1 -31.4 48.7 130 132 A S G > S+ 0 0 26 -2,-0.3 3,-2.2 1,-0.3 4,-0.4 0.824 101.8 71.0 -49.4 -36.2 -101.2 -30.8 46.4 131 133 A Q G > S+ 0 0 16 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.779 76.2 79.7 -56.3 -27.1 -98.8 -31.8 49.3 132 134 A I G X S+ 0 0 0 -3,-2.2 3,-2.1 1,-0.3 -1,-0.3 0.825 80.8 68.5 -52.1 -28.4 -100.0 -35.4 48.9 133 135 A Q G X S+ 0 0 11 -3,-2.2 3,-1.6 -4,-0.3 -1,-0.3 0.892 93.3 58.0 -57.3 -38.4 -97.5 -35.6 46.0 134 136 A G G < S+ 0 0 1 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.529 85.8 78.4 -69.5 -6.0 -94.7 -35.3 48.5 135 137 A F G < S+ 0 0 1 -3,-2.1 -1,-0.3 -4,-0.3 2,-0.2 0.592 93.3 60.4 -77.7 -8.9 -96.0 -38.4 50.3 136 138 A F < - 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