==== 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 OXIDOREDUCTASE 14-MAR-92 1DR4 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.A.MCTIGUE,J.F.DAVIES /II,B.T.KAUFMAN,N.-H.XUONG,J.KRAUT . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 11.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 18 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 16.7 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+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 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 0 0 1 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 . 1 2 1 0 0 0 0 1 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 . 1 0 0 0 0 0 0 1 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 V 0 0 62 0, 0.0 3,-0.1 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 129.0 0.7 -1.3 19.4 2 2 A R - 0 0 71 1,-0.2 128,-0.8 127,-0.1 2,-0.3 0.828 360.0 -11.6 -65.2 -41.3 -0.5 -3.7 16.8 3 3 A S E -a 130 0A 53 126,-0.1 109,-0.4 2,-0.0 128,-0.3 -0.967 62.1-130.9-164.3 150.1 2.6 -3.8 14.5 4 4 A L E -a 131 0A 1 126,-2.4 128,-1.9 -2,-0.3 2,-0.4 -0.639 10.9-152.6-101.1 163.7 5.9 -1.9 14.1 5 5 A N E -ab 132 113A 12 107,-1.2 109,-3.2 -2,-0.2 2,-0.4 -1.000 9.7-170.7-133.2 140.5 7.5 -0.5 11.0 6 6 A S E -ab 133 114A 1 126,-2.6 128,-3.4 -2,-0.4 2,-0.4 -0.950 0.2-170.6-129.6 148.0 11.3 -0.1 10.5 7 7 A I E +a 134 0A 4 107,-2.1 2,-0.3 -2,-0.4 128,-0.2 -0.993 14.7 155.3-140.2 136.4 13.0 1.7 7.7 8 8 A V E -a 135 0A 8 126,-2.3 128,-2.3 -2,-0.4 2,-0.5 -0.973 34.0-137.3-155.6 156.4 16.7 1.8 6.9 9 9 A A E -a 136 0A 17 -2,-0.3 2,-0.3 126,-0.2 128,-0.2 -0.994 32.2-178.4-116.2 127.6 19.1 2.3 4.0 10 10 A V E -a 137 0A 1 126,-3.2 128,-3.0 -2,-0.5 6,-0.2 -0.958 16.4-141.6-127.0 156.3 22.0 -0.1 3.9 11 11 A C > - 0 0 3 4,-1.8 3,-2.3 -2,-0.3 130,-0.2 -0.230 47.3 -73.6-100.4-175.0 25.1 -0.7 1.7 12 12 A Q T 3 S+ 0 0 111 128,-2.5 129,-0.2 1,-0.3 127,-0.1 0.820 131.9 41.7 -53.0 -36.3 26.7 -3.9 0.5 13 13 A N T 3 S- 0 0 68 129,-0.2 -1,-0.3 127,-0.2 128,-0.1 0.055 122.0-102.5-100.2 25.3 28.3 -4.9 3.9 14 14 A M < + 0 0 50 -3,-2.3 134,-2.5 1,-0.2 2,-0.2 0.732 69.6 157.0 63.8 27.0 25.1 -3.9 5.7 15 15 A G E -I 147 0B 0 132,-0.2 -4,-1.8 127,-0.1 132,-0.3 -0.585 23.3-179.7 -82.4 148.8 26.7 -0.6 6.9 16 16 A I E + 0 0 21 130,-2.9 2,-0.3 1,-0.3 131,-0.2 0.449 59.1 2.9-124.5 -3.8 24.4 2.2 7.9 17 17 A G E -I 146 0B 8 129,-1.3 128,-2.3 5,-0.2 129,-1.9 -0.988 46.6-155.5-172.4 165.2 26.7 5.0 8.9 18 18 A K B > S-J 21 0C 47 3,-3.3 3,-1.7 -2,-0.3 126,-0.0 -0.936 77.5 -7.1-153.8 128.5 30.1 6.4 9.4 19 19 A D T 3 S- 0 0 129 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.854 131.2 -47.9 55.7 38.7 31.5 9.1 11.7 20 20 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.449 127.5 64.5 84.4 2.4 28.1 10.1 12.9 21 21 A N B < S-J 18 0C 89 -3,-1.7 -3,-3.3 1,-0.0 -1,-0.3 -0.707 93.6 -60.8-139.3-169.8 26.5 10.3 9.4 22 22 A L - 0 0 87 -5,-0.3 -5,-0.2 -2,-0.2 -6,-0.1 -0.485 39.5-129.1 -78.6 145.2 25.5 8.3 6.4 23 23 A P S S+ 0 0 20 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.675 89.1 55.4 -69.7 -19.8 28.3 6.5 4.5 24 24 A W S S- 0 0 13 1,-0.1 3,-0.2 118,-0.1 -2,-0.1 -0.854 90.5-107.2-112.9 154.8 27.2 7.9 1.0 25 25 A P S S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.076 71.7 -48.5 -62.1 178.6 26.8 11.6 -0.1 26 26 A P - 0 0 116 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.265 43.0-163.9 -69.7 133.3 23.2 12.6 -0.5 27 27 A L > - 0 0 13 1,-0.2 4,-2.4 -3,-0.2 5,-0.1 -0.947 7.3-167.7-111.3 100.0 20.7 10.6 -2.5 28 28 A R H > S+ 0 0 127 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.945 85.5 44.4 -50.3 -59.1 17.8 13.0 -3.1 29 29 A N H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.861 112.3 50.7 -58.9 -44.4 15.3 10.4 -4.2 30 30 A E H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 110.9 51.0 -62.1 -42.2 16.2 7.9 -1.5 31 31 A Y H X S+ 0 0 111 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 107.7 51.0 -62.8 -40.0 15.7 10.6 1.0 32 32 A K H X S+ 0 0 96 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.836 107.4 55.4 -68.7 -30.2 12.3 11.6 -0.4 33 33 A Y H X S+ 0 0 7 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.957 109.5 45.6 -65.2 -45.7 11.3 7.9 -0.1 34 34 A F H X S+ 0 0 33 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.888 114.9 48.3 -63.0 -46.3 12.2 7.9 3.6 35 35 A Q H X S+ 0 0 53 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.974 113.6 45.5 -58.3 -57.6 10.4 11.2 4.2 36 36 A R H X S+ 0 0 116 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.897 114.9 47.9 -55.1 -50.8 7.2 10.1 2.3 37 37 A M H < S+ 0 0 21 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.886 117.6 39.9 -59.5 -51.2 7.1 6.7 4.0 38 38 A T H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.841 118.8 46.8 -72.9 -29.0 7.6 8.0 7.6 39 39 A S H < S+ 0 0 37 -4,-3.0 2,-0.8 -5,-0.2 9,-0.3 0.738 88.9 92.2 -83.5 -27.8 5.4 11.1 7.2 40 40 A T < + 0 0 66 -4,-1.8 2,-0.3 -5,-0.2 7,-0.1 -0.687 48.3 176.9 -85.3 109.7 2.3 9.5 5.5 41 41 A S - 0 0 28 -2,-0.8 7,-0.1 5,-0.2 -2,-0.0 -0.686 26.3-140.6-101.9 153.9 -0.5 8.4 7.9 42 42 A H S S+ 0 0 138 -2,-0.3 2,-0.3 2,-0.1 5,-0.1 -0.287 77.1 71.7-112.7 47.6 -3.8 7.0 6.6 43 43 A V S > S- 0 0 68 3,-0.2 3,-1.7 0, 0.0 -2,-0.1 -0.894 83.3-116.0-160.7 119.8 -6.2 8.6 9.0 44 44 A E T 3 S+ 0 0 204 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.340 99.7 24.2 -64.3 137.7 -7.2 12.2 9.1 45 45 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.449 103.2 101.7 89.2 1.5 -6.1 14.0 12.3 46 46 A K < - 0 0 70 -3,-1.7 -1,-0.3 63,-0.1 2,-0.3 -0.841 51.2-159.8-117.8 156.9 -3.3 11.6 13.1 47 47 A Q E -c 109 0A 73 61,-2.4 63,-2.3 -2,-0.3 2,-0.2 -0.857 25.3-111.3-123.4 162.4 0.5 11.8 12.7 48 48 A N E - d 0 70A 0 21,-0.6 23,-2.4 -9,-0.3 2,-0.4 -0.574 27.0-131.6 -91.0 157.0 3.0 9.0 12.6 49 49 A A E -cd 112 71A 0 62,-3.4 64,-3.3 21,-0.2 2,-0.4 -0.883 14.8-159.8-109.6 142.2 5.5 8.5 15.4 50 50 A V E -cd 113 72A 0 21,-3.0 23,-2.7 -2,-0.4 2,-0.4 -0.984 3.5-162.0-119.9 130.3 9.2 8.0 14.8 51 51 A I E +cd 114 73A 0 62,-2.8 64,-2.4 -2,-0.4 2,-0.3 -0.958 19.0 161.6-112.6 140.2 11.5 6.4 17.4 52 52 A M E - d 0 74A 0 21,-2.0 23,-2.4 -2,-0.4 65,-0.3 -0.975 35.3-108.0-155.6 157.3 15.3 6.8 17.3 53 53 A G > - 0 0 10 63,-2.3 4,-1.6 -2,-0.3 23,-0.1 -0.188 42.4 -98.6 -79.2 174.0 18.4 6.5 19.4 54 54 A K H > S+ 0 0 62 21,-0.4 4,-2.5 2,-0.2 5,-0.2 0.850 119.1 49.9 -67.2 -49.1 20.5 9.4 20.6 55 55 A K H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 110.8 52.1 -59.9 -43.8 23.2 9.4 18.0 56 56 A T H 4 S+ 0 0 40 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.906 108.7 49.8 -60.5 -41.1 20.6 9.3 15.3 57 57 A W H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.927 112.7 46.5 -62.1 -47.7 18.7 12.3 16.7 58 58 A F H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.767 99.7 71.1 -69.3 -18.7 21.9 14.4 17.0 59 59 A S T 3< S+ 0 0 43 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.694 81.4 89.1 -69.5 -17.2 22.9 13.3 13.4 60 60 A I S < S- 0 0 21 -3,-1.4 5,-0.1 -4,-0.5 -39,-0.0 -0.726 96.9-100.3 -86.2 132.2 20.1 15.5 12.1 61 61 A P > - 0 0 80 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.216 33.9-123.1 -46.7 131.1 21.1 19.1 11.3 62 62 A E G > S+ 0 0 132 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.863 110.4 54.6 -50.6 -44.1 19.9 21.2 14.3 63 63 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.731 104.6 56.5 -66.9 -17.1 17.8 23.5 12.2 64 64 A N G < S+ 0 0 104 -3,-1.8 4,-0.3 3,-0.0 -1,-0.3 0.158 87.8 149.6-100.0 14.8 16.0 20.4 10.7 65 65 A R < + 0 0 55 -3,-1.6 2,-0.1 2,-0.1 21,-0.1 -0.852 46.5 28.5-104.3 139.0 14.8 19.1 14.1 66 66 A P S S- 0 0 39 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.565 96.3-101.6 -88.2 172.2 12.5 17.5 14.8 67 67 A L > - 0 0 9 -2,-0.1 3,-1.5 1,-0.1 -2,-0.1 -0.322 53.0-111.6 -54.0 112.6 11.4 15.5 11.8 68 68 A K T 3 S+ 0 0 154 -2,-0.4 -1,-0.1 -4,-0.3 3,-0.1 -0.073 90.5 9.3 -48.3 137.5 8.5 17.7 10.6 69 69 A D T 3 S+ 0 0 88 1,-0.1 -21,-0.6 -3,-0.1 2,-0.3 0.500 109.4 89.1 68.1 15.0 5.0 16.3 10.9 70 70 A R E < S-d 48 0A 5 -3,-1.5 2,-0.7 -23,-0.2 -21,-0.2 -0.942 83.3-109.2-136.4 154.3 5.9 13.2 13.0 71 71 A I E -d 49 0A 8 -23,-2.4 -21,-3.0 -2,-0.3 2,-0.7 -0.791 36.8-147.1 -86.7 113.1 6.1 12.8 16.8 72 72 A N E -d 50 0A 0 -2,-0.7 15,-1.9 13,-0.2 16,-1.9 -0.791 19.2-179.4 -85.8 117.6 9.8 12.4 17.5 73 73 A I E -de 51 88A 0 -23,-2.7 -21,-2.0 -2,-0.7 2,-0.3 -0.973 8.2-162.7-117.2 125.3 10.6 10.1 20.4 74 74 A V E -de 52 89A 0 14,-2.1 16,-2.2 -2,-0.5 2,-0.4 -0.836 8.0-144.4-104.6 143.5 14.3 9.7 21.3 75 75 A L E + e 0 90A 22 -23,-2.4 -21,-0.4 -2,-0.3 2,-0.3 -0.881 32.2 147.3-107.2 140.8 15.7 6.8 23.5 76 76 A S - 0 0 12 14,-1.8 -2,-0.0 -2,-0.4 16,-0.0 -0.856 38.9-155.3-167.0 141.0 18.6 7.3 25.9 77 77 A R S S+ 0 0 222 -2,-0.3 14,-0.1 1,-0.1 15,-0.0 0.471 97.8 49.4 -94.0 -12.1 19.5 5.8 29.3 78 78 A E S S+ 0 0 159 2,-0.0 -1,-0.1 13,-0.0 13,-0.1 0.851 84.6 87.0 -97.6 -47.7 21.5 9.0 30.1 79 79 A L - 0 0 56 1,-0.1 -3,-0.1 12,-0.0 3,-0.1 -0.297 52.3-161.3 -63.7 147.8 19.5 12.1 29.4 80 80 A K S S+ 0 0 209 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.701 78.4 25.1 -96.7 -29.2 17.2 13.4 32.2 81 81 A E S S- 0 0 66 7,-0.0 -1,-0.2 1,-0.0 3,-0.1 -0.932 96.3 -84.3-136.4 157.6 15.1 15.4 29.8 82 82 A A - 0 0 43 -2,-0.3 3,-0.1 7,-0.1 7,-0.1 -0.298 52.1-107.6 -58.9 137.8 14.2 15.4 26.1 83 83 A P > - 0 0 15 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.378 56.2 -73.2 -68.9 152.7 16.7 17.1 23.8 84 84 A K T 3 S+ 0 0 189 1,-0.3 3,-0.1 -3,-0.1 -19,-0.0 -0.303 121.5 13.8 -52.2 119.6 15.5 20.4 22.5 85 85 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.3 -2,-0.1 -13,-0.2 -0.009 93.4 118.7 97.4 -24.5 12.8 19.8 19.9 86 86 A A < - 0 0 15 -3,-1.7 -1,-0.4 1,-0.1 -13,-0.1 -0.467 58.7-144.1 -67.1 151.8 12.2 16.1 20.6 87 87 A H S S+ 0 0 85 -15,-1.9 2,-0.3 1,-0.3 -14,-0.2 0.864 75.7 6.2 -84.1 -41.9 8.6 15.5 21.6 88 88 A Y E -e 73 0A 88 -16,-1.9 -14,-2.1 -7,-0.1 2,-0.4 -0.988 58.9-146.8-145.6 158.5 9.3 12.7 24.1 89 89 A L E -e 74 0A 26 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.937 20.0-173.9-124.4 138.8 12.2 11.0 25.7 90 90 A S E -e 75 0A 5 -16,-2.2 -14,-1.8 -2,-0.4 3,-0.1 -0.980 27.6-145.5-140.6 149.2 12.2 7.3 26.7 91 91 A K S S+ 0 0 108 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.629 84.4 4.1 -85.6 -21.4 14.5 4.9 28.6 92 92 A S S > S- 0 0 40 1,-0.1 4,-2.4 -16,-0.0 -1,-0.1 -0.955 74.9-105.1-156.3 170.4 13.8 1.8 26.5 93 93 A L H > S+ 0 0 8 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.879 124.0 57.1 -64.9 -37.8 11.8 0.7 23.4 94 94 A D H > S+ 0 0 86 2,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.937 105.8 46.3 -54.2 -54.2 9.4 -0.8 26.0 95 95 A D H > S+ 0 0 83 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.924 113.1 53.0 -55.6 -42.9 8.9 2.5 27.7 96 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.3 0.924 110.6 44.7 -59.3 -48.9 8.4 4.0 24.2 97 97 A L H X S+ 0 0 15 -4,-3.4 4,-1.7 2,-0.2 -1,-0.2 0.928 112.7 51.4 -65.3 -39.6 5.8 1.5 23.3 98 98 A A H >X S+ 0 0 62 -4,-3.0 4,-1.1 1,-0.2 3,-0.7 0.967 109.6 50.5 -58.3 -49.8 4.0 1.9 26.6 99 99 A L H >< S+ 0 0 43 -4,-3.0 3,-1.3 1,-0.3 6,-0.4 0.911 105.2 57.4 -52.7 -47.5 4.0 5.7 26.2 100 100 A L H 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.844 105.4 50.7 -55.0 -38.3 2.5 5.2 22.7 101 101 A D H << S+ 0 0 98 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.664 85.6 111.9 -73.1 -23.3 -0.5 3.4 24.2 102 102 A S S S+ 0 0 115 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.888 112.7 60.0 -62.7 -45.1 -4.4 8.0 26.2 104 104 A E H 4 S+ 0 0 51 1,-0.2 -4,-0.1 2,-0.1 -3,-0.1 0.835 121.5 23.9 -51.7 -41.9 -2.8 11.3 25.2 105 105 A L H >> S+ 0 0 2 -6,-0.4 3,-4.8 -3,-0.3 4,-1.3 0.878 103.2 78.3 -90.2 -55.3 -1.0 9.7 22.2 106 106 A K H >< S+ 0 0 32 -4,-2.8 3,-0.6 1,-0.3 -2,-0.1 0.794 103.7 40.9 -22.6 -55.8 -3.1 6.6 21.4 107 107 A S T 3< S+ 0 0 86 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.570 115.1 51.7 -75.9 -13.8 -5.6 8.8 19.6 108 108 A K T <4 S+ 0 0 81 -3,-4.8 -61,-2.4 -5,-0.1 2,-0.5 0.538 97.8 77.6-100.4 -8.9 -3.0 11.1 18.0 109 109 A V E << + c 0 47A 13 -4,-1.3 -61,-0.2 -3,-0.6 3,-0.1 -0.904 39.2 168.0-119.8 127.7 -0.9 8.4 16.4 110 110 A D E + 0 0 51 -63,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.859 69.6 15.8 -93.1 -83.9 -1.3 6.3 13.3 111 111 A M E - 0 0 29 -73,-0.1 -62,-3.4 -107,-0.0 2,-0.5 -0.718 60.6-145.6-101.6 147.4 1.9 4.5 12.4 112 112 A V E - c 0 49A 10 -109,-0.4 -107,-1.2 -2,-0.3 2,-0.4 -0.929 19.0-169.8-108.6 121.8 5.0 3.8 14.5 113 113 A W E -bc 5 50A 5 -64,-3.3 -62,-2.8 -2,-0.5 2,-0.6 -0.934 14.9-147.3-116.1 136.8 8.3 3.8 12.6 114 114 A I E +bc 6 51A 0 -109,-3.2 -107,-2.1 -2,-0.4 -62,-0.2 -0.935 17.2 177.7-100.1 123.9 11.7 2.7 13.9 115 115 A V - 0 0 15 -64,-2.4 -63,-0.2 -2,-0.6 -1,-0.1 0.067 35.4-173.1-119.8 23.1 14.5 4.8 12.4 116 116 A G - 0 0 0 -65,-0.3 -63,-2.3 1,-0.2 -1,-0.4 -0.161 50.3-145.4 87.5-176.8 17.5 3.4 14.1 117 117 A G > - 0 0 16 -65,-0.3 4,-2.5 -61,-0.1 5,-0.3 0.197 61.2 -83.2 -85.8-148.3 20.3 3.1 15.0 118 118 A T H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 124.7 44.6 -46.6 -62.3 21.6 -0.5 15.6 119 119 A A H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 114.7 50.7 -55.5 -41.3 20.4 -1.1 19.1 120 120 A V H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.929 111.0 45.9 -64.8 -47.5 16.9 0.3 18.4 121 121 A Y H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.906 114.1 51.3 -57.6 -45.3 16.4 -1.8 15.2 122 122 A K H X S+ 0 0 109 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.931 110.5 46.4 -56.8 -54.6 17.6 -4.8 17.2 123 123 A A H X S+ 0 0 34 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.925 115.1 47.5 -51.6 -51.1 15.3 -4.3 20.1 124 124 A A H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.864 108.7 55.7 -62.8 -43.7 12.4 -3.7 17.7 125 125 A M H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 105.1 51.1 -56.5 -40.7 13.3 -6.8 15.7 126 126 A E H 3< S+ 0 0 121 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.644 82.1 106.9 -76.2 -18.8 13.1 -9.1 18.7 127 127 A K S << S- 0 0 48 -4,-0.9 2,-2.2 -3,-0.8 -3,-0.0 -0.447 76.4-130.9 -59.3 125.9 9.7 -7.9 19.8 128 128 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.576 70.5 113.1 -84.3 69.7 7.3 -10.8 19.0 129 129 A I S S- 0 0 28 -2,-2.2 -126,-0.1 -5,-0.2 2,-0.1 -0.919 81.5 -79.2-135.7 162.7 4.9 -8.4 17.2 130 130 A N E -a 3 0A 58 -128,-0.8 -126,-2.4 -2,-0.3 2,-0.3 -0.433 58.8-179.6 -64.2 130.9 3.8 -7.9 13.6 131 131 A H E -aF 4 184A 3 53,-2.3 53,-3.6 -128,-0.3 2,-0.4 -0.987 25.2-163.1-150.2 132.4 6.6 -6.0 11.8 132 132 A R E -aF 5 183A 80 -128,-1.9 -126,-2.6 -2,-0.3 2,-0.5 -0.942 14.2-157.0-117.1 128.1 7.3 -4.7 8.3 133 133 A L E -aF 6 182A 0 49,-3.2 49,-2.3 -2,-0.4 2,-0.8 -0.960 3.2-160.3-114.5 116.0 10.9 -3.8 7.4 134 134 A F E +aF 7 181A 3 -128,-3.4 -126,-2.3 -2,-0.5 2,-0.5 -0.882 19.3 179.1-101.6 106.0 11.5 -1.3 4.6 135 135 A V E -aF 8 180A 4 45,-2.3 45,-3.2 -2,-0.8 2,-0.6 -0.950 20.1-155.3-111.6 133.7 15.1 -1.8 3.5 136 136 A T E -aF 9 179A 0 -128,-2.3 -126,-3.2 -2,-0.5 2,-0.8 -0.958 14.0-152.9-104.9 116.9 16.8 0.2 0.8 137 137 A R E -aF 10 178A 38 41,-3.0 41,-1.7 -2,-0.6 2,-0.6 -0.818 3.7-160.2 -92.6 105.1 19.7 -1.9 -0.7 138 138 A I E - F 0 177A 1 -128,-3.0 2,-1.7 -2,-0.8 39,-0.3 -0.737 14.6-142.0 -89.7 116.2 22.4 0.3 -2.2 139 139 A L S S+ 0 0 33 37,-2.4 2,-0.3 -2,-0.6 37,-0.2 -0.345 71.9 75.2 -80.1 53.2 24.4 -1.9 -4.5 140 140 A H S S- 0 0 57 -2,-1.7 -128,-2.5 35,-0.1 2,-0.5 -0.911 76.9-116.8-157.7 160.5 27.8 -0.4 -3.7 141 141 A E + 0 0 144 -2,-0.3 2,-0.3 -130,-0.2 -2,-0.1 -0.976 30.7 172.9-113.4 126.1 30.2 -0.5 -0.8 142 142 A F - 0 0 48 -2,-0.5 -129,-0.2 -127,-0.0 -127,-0.1 -0.952 45.2 -90.6-125.8 149.5 31.1 2.6 1.3 143 143 A E + 0 0 142 -2,-0.3 2,-0.4 -120,-0.2 -2,-0.0 -0.339 53.2 178.4 -60.8 127.6 33.2 2.7 4.4 144 144 A S - 0 0 20 -2,-0.1 -126,-0.3 1,-0.1 3,-0.1 -0.990 30.9-172.9-135.3 144.4 30.9 2.2 7.4 145 145 A D S S+ 0 0 72 -128,-2.3 2,-0.4 -2,-0.4 -127,-0.2 0.392 77.7 57.7-114.6 -2.7 31.6 2.0 11.1 146 146 A T E -I 17 0B 42 -129,-1.9 -130,-2.9 -28,-0.0 -129,-1.3 -0.995 69.5-162.7-132.4 147.4 28.0 1.2 12.1 147 147 A F E -I 15 0B 92 -2,-0.4 -132,-0.2 -132,-0.3 -133,-0.1 -0.861 22.6-111.6-137.9 156.8 25.9 -1.8 10.9 148 148 A F - 0 0 15 -134,-2.5 3,-0.1 -2,-0.3 -30,-0.1 -0.592 43.4-111.4 -80.5 134.7 22.5 -3.1 10.6 149 149 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.137 45.6 -81.1 -64.2 162.8 21.7 -6.1 12.8 150 150 A E - 0 0 193 1,-0.1 2,-0.5 2,-0.0 -136,-0.0 -0.459 39.9-134.0 -68.7 128.7 21.1 -9.5 11.2 151 151 A I - 0 0 22 -2,-0.2 2,-1.5 -3,-0.1 -1,-0.1 -0.772 14.7-128.8 -88.8 126.6 17.7 -10.2 9.8 152 152 A D >> - 0 0 57 -2,-0.5 4,-3.0 1,-0.2 3,-1.0 -0.627 18.0-164.7 -72.9 92.7 16.2 -13.6 10.6 153 153 A Y T 34 S+ 0 0 145 -2,-1.5 -1,-0.2 1,-0.3 5,-0.1 0.560 87.7 62.9 -56.8 -12.2 15.2 -14.8 7.2 154 154 A K T 34 S+ 0 0 145 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.896 115.6 27.2 -79.7 -41.0 13.1 -17.3 9.0 155 155 A D T <4 S+ 0 0 77 -3,-1.0 2,-0.9 1,-0.2 30,-0.5 0.866 116.5 60.2 -86.0 -46.9 10.9 -14.7 10.5 156 156 A F S < S- 0 0 7 -4,-3.0 2,-0.4 28,-0.1 28,-0.2 -0.853 70.3-166.3 -93.8 104.8 11.1 -11.8 8.0 157 157 A K E -G 183 0A 128 26,-2.3 26,-3.1 -2,-0.9 2,-0.5 -0.712 21.9-123.2 -92.3 132.9 9.9 -13.0 4.6 158 158 A L E -G 182 0A 84 -2,-0.4 24,-0.3 24,-0.3 2,-0.3 -0.718 22.3-135.8 -78.1 121.4 10.7 -10.7 1.7 159 159 A L - 0 0 49 22,-3.4 22,-0.4 -2,-0.5 3,-0.1 -0.581 1.0-145.3 -74.0 149.1 7.6 -9.6 -0.2 160 160 A T S S+ 0 0 149 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.733 83.6 11.6 -86.6 -18.7 7.8 -9.8 -4.0 161 161 A E - 0 0 158 20,-0.1 -1,-0.3 2,-0.0 19,-0.0 -0.982 61.1-174.6-159.1 149.2 5.7 -6.7 -4.2 162 162 A Y > - 0 0 59 3,-0.4 3,-2.3 -2,-0.3 2,-0.1 -0.980 39.8 -94.6-150.0 134.4 4.3 -3.9 -2.1 163 163 A P T 3 S+ 0 0 104 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.129 107.6 3.6 -48.9 112.1 1.9 -1.0 -2.8 164 164 A G T 3 S+ 0 0 49 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.605 97.3 117.0 88.8 11.1 3.8 2.1 -3.6 165 165 A V S < S- 0 0 20 -3,-2.3 -3,-0.4 14,-0.0 -1,-0.2 -0.954 70.1-122.4-113.6 112.1 7.3 0.7 -3.5 166 166 A P - 0 0 46 0, 0.0 13,-0.3 0, 0.0 4,-0.1 -0.205 19.6-153.7 -47.0 144.6 8.9 0.9 -7.0 167 167 A A + 0 0 90 2,-0.1 3,-0.1 11,-0.1 2,-0.0 0.847 63.8 76.0 -90.8 -42.1 9.9 -2.7 -8.0 168 168 A D S S- 0 0 125 1,-0.1 11,-0.4 10,-0.1 2,-0.2 -0.281 95.1 -87.2 -68.6 163.3 12.9 -2.1 -10.4 169 169 A I - 0 0 88 9,-0.1 2,-0.2 7,-0.0 9,-0.2 -0.505 48.0-145.2 -68.6 132.3 16.4 -1.2 -9.4 170 170 A Q E -H 177 0A 59 7,-3.5 7,-2.3 -2,-0.2 2,-0.4 -0.611 10.3-158.3 -95.7 161.9 16.7 2.6 -9.2 171 171 A E E +H 176 0A 134 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.990 18.2 160.5-141.5 139.4 19.7 4.6 -10.1 172 172 A E E > S+H 175 0A 23 3,-2.7 3,-2.9 -2,-0.4 -2,-0.0 -0.949 71.8 2.3-158.3 141.1 20.7 8.1 -9.0 173 173 A D T 3 S- 0 0 117 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.740 130.6 -58.4 46.8 37.2 24.1 9.8 -9.1 174 174 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.418 115.1 115.1 79.8 2.9 25.5 6.8 -10.8 175 175 A I E < - H 0 172A 31 -3,-2.9 -3,-2.7 -35,-0.0 2,-0.3 -0.880 54.2-147.7-106.5 139.2 24.5 4.5 -7.9 176 176 A Q E + H 0 171A 85 -2,-0.4 -37,-2.4 -5,-0.2 2,-0.3 -0.794 23.0 165.3-105.4 148.4 22.0 1.7 -8.1 177 177 A Y E -FH 138 170A 4 -7,-2.3 -7,-3.5 -2,-0.3 2,-0.4 -0.971 20.2-146.4-153.9 160.2 19.7 0.7 -5.3 178 178 A K E -F 137 0A 67 -41,-1.7 -41,-3.0 -2,-0.3 2,-0.5 -0.998 14.3-130.4-137.8 141.7 16.5 -1.4 -4.7 179 179 A F E -F 136 0A 18 -11,-0.4 2,-0.3 -2,-0.4 -43,-0.2 -0.744 30.0-179.9 -87.5 130.6 13.6 -1.1 -2.3 180 180 A E E -F 135 0A 26 -45,-3.2 -45,-2.3 -2,-0.5 2,-0.4 -0.932 14.7-158.5-129.7 153.9 12.7 -4.2 -0.4 181 181 A V E -F 134 0A 5 -22,-0.4 -22,-3.4 -2,-0.3 2,-0.4 -0.999 7.4-172.0-134.6 126.3 10.0 -5.0 2.1 182 182 A Y E -FG 133 158A 9 -49,-2.3 -49,-3.2 -2,-0.4 2,-0.4 -0.943 8.8-154.7-118.1 149.5 10.2 -7.9 4.6 183 183 A Q E -FG 132 157A 50 -26,-3.1 -26,-2.3 -2,-0.4 2,-0.5 -0.989 10.3-164.6-134.4 132.4 7.3 -9.0 6.8 184 184 A K E -F 131 0A 20 -53,-3.6 -53,-2.3 -2,-0.4 2,-0.6 -0.961 15.0-157.7-114.6 121.1 7.2 -10.7 10.2 185 185 A S 0 0 87 -2,-0.5 -55,-0.1 -30,-0.5 -2,-0.0 -0.925 360.0 360.0-103.4 122.3 3.8 -12.1 11.1 186 186 A V 0 0 109 -2,-0.6 -1,-0.1 -58,-0.0 -57,-0.1 0.650 360.0 360.0-115.0 360.0 2.9 -12.8 14.7