==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-92 1DR5 . 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) . 10280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 12.4 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 . 18 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 17.2 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 0 1 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 0 1 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 1 2 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 65 0, 0.0 3,-0.1 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 131.4 0.5 -1.2 19.4 2 2 A R - 0 0 71 1,-0.2 128,-0.6 127,-0.1 2,-0.3 0.764 360.0 -11.6 -70.0 -34.6 -0.6 -3.6 16.7 3 3 A S E -a 130 0A 50 126,-0.1 109,-0.4 2,-0.0 2,-0.3 -0.979 57.1-133.0-166.4 158.8 2.5 -3.5 14.6 4 4 A L E -a 131 0A 0 126,-2.6 128,-2.4 -2,-0.3 2,-0.4 -0.814 8.2-155.6-115.8 160.5 5.8 -1.7 13.9 5 5 A N E -ab 132 113A 11 107,-1.7 109,-2.8 -2,-0.3 2,-0.4 -0.982 8.7-170.1-131.3 142.3 7.6 -0.5 10.8 6 6 A S E -ab 133 114A 0 126,-2.3 128,-3.3 -2,-0.4 2,-0.4 -0.948 1.7-167.8-129.3 144.8 11.3 -0.0 10.5 7 7 A I E +a 134 0A 5 107,-1.7 2,-0.3 -2,-0.4 128,-0.2 -0.995 14.4 161.5-136.7 135.6 13.1 1.8 7.6 8 8 A V E -a 135 0A 7 126,-2.4 128,-2.2 -2,-0.4 2,-0.4 -0.975 32.0-138.8-150.4 155.2 16.8 1.7 6.9 9 9 A A E -a 136 0A 18 -2,-0.3 2,-0.4 126,-0.2 128,-0.2 -0.963 31.6-179.7-112.7 128.0 19.2 2.4 4.0 10 10 A V E -a 137 0A 1 126,-3.0 128,-3.3 -2,-0.4 6,-0.2 -0.978 15.9-149.8-128.9 149.7 22.1 -0.2 3.8 11 11 A C > - 0 0 3 4,-2.0 3,-2.2 -2,-0.4 130,-0.2 -0.285 49.5 -70.3-101.2-169.0 25.1 -0.7 1.6 12 12 A Q T 3 S+ 0 0 107 128,-2.8 129,-0.2 1,-0.3 127,-0.1 0.802 131.0 44.4 -56.7 -33.8 26.8 -3.9 0.6 13 13 A N T 3 S- 0 0 66 129,-0.2 -1,-0.3 127,-0.2 3,-0.1 0.188 120.3-102.4 -96.4 20.9 28.4 -4.8 3.9 14 14 A M S < S+ 0 0 52 -3,-2.2 134,-3.2 1,-0.2 2,-0.2 0.725 71.1 158.2 66.7 23.2 25.1 -4.0 5.8 15 15 A G E +I 147 0B 0 132,-0.2 -4,-2.0 127,-0.1 132,-0.3 -0.584 23.3 176.0 -80.0 143.1 26.7 -0.7 6.8 16 16 A I E + 0 0 21 130,-2.8 2,-0.3 1,-0.3 131,-0.2 0.446 59.6 8.3-123.6 -7.5 24.4 2.1 7.9 17 17 A G E -I 146 0B 8 129,-1.2 128,-2.7 5,-0.2 129,-1.5 -0.993 46.3-158.9-168.6 164.8 26.7 4.9 9.0 18 18 A K B > S-J 21 0C 50 3,-3.5 3,-2.2 -2,-0.3 126,-0.1 -0.960 78.2 -9.0-153.8 131.8 30.3 6.3 9.4 19 19 A D T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.792 130.4 -48.6 50.1 38.7 31.6 8.9 11.7 20 20 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.507 128.5 64.7 83.1 5.4 28.2 9.9 13.0 21 21 A N B < S-J 18 0C 90 -3,-2.2 -3,-3.5 1,-0.0 -1,-0.3 -0.733 93.9 -60.7-140.0-168.4 26.7 10.2 9.5 22 22 A L - 0 0 84 -5,-0.3 -5,-0.2 -2,-0.2 -6,-0.1 -0.467 37.6-128.8 -80.0 151.8 25.7 8.2 6.4 23 23 A P S S+ 0 0 22 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.725 88.0 55.4 -72.2 -22.9 28.4 6.4 4.4 24 24 A W S S- 0 0 16 1,-0.1 -2,-0.2 118,-0.1 3,-0.1 -0.794 88.6-105.3-113.4 157.6 27.3 7.9 1.1 25 25 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.113 68.4 -58.6 -65.5 170.7 26.9 11.4 -0.2 26 26 A P - 0 0 117 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.290 43.0-163.7 -67.2 136.7 23.3 12.5 -0.6 27 27 A L > - 0 0 12 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.991 8.6-156.9-115.2 111.5 20.8 10.7 -2.7 28 28 A R H > S+ 0 0 101 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.904 88.8 45.6 -54.3 -54.2 17.7 12.9 -3.3 29 29 A N H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 109.6 53.1 -65.4 -39.0 15.2 10.2 -4.1 30 30 A E H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.966 111.5 49.0 -60.4 -47.6 16.2 7.9 -1.3 31 31 A Y H X S+ 0 0 124 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.894 109.2 49.2 -56.5 -50.4 15.7 10.9 1.0 32 32 A K H X S+ 0 0 94 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.865 109.3 55.9 -61.2 -33.6 12.2 11.8 -0.4 33 33 A Y H X S+ 0 0 20 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.941 107.0 47.8 -64.3 -43.3 11.3 8.2 0.0 34 34 A F H X S+ 0 0 45 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.923 114.3 46.9 -64.5 -48.0 12.2 8.2 3.7 35 35 A Q H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.951 114.5 45.8 -57.2 -53.6 10.2 11.4 4.3 36 36 A R H X S+ 0 0 97 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.962 115.2 47.7 -59.2 -49.9 7.2 10.2 2.4 37 37 A M H < S+ 0 0 31 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.885 118.0 38.4 -60.3 -46.6 7.2 6.8 4.1 38 38 A T H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.804 119.7 45.5 -79.6 -25.7 7.6 8.1 7.7 39 39 A S H < S+ 0 0 37 -4,-2.5 2,-0.8 -5,-0.3 9,-0.3 0.799 87.9 95.0 -83.9 -34.7 5.3 11.2 7.4 40 40 A T < - 0 0 68 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.1 -0.578 50.1-178.9 -73.8 110.5 2.3 9.7 5.6 41 41 A S - 0 0 29 -2,-0.8 7,-0.1 5,-0.2 -2,-0.0 -0.686 25.4-141.0 -99.6 151.7 -0.5 8.6 7.9 42 42 A H S S+ 0 0 135 -2,-0.3 2,-0.3 2,-0.1 5,-0.1 -0.229 77.6 69.9-108.0 42.2 -3.7 7.0 6.6 43 43 A V S > S- 0 0 71 3,-0.2 3,-1.6 0, 0.0 2,-0.1 -0.939 83.5-111.0-161.2 130.2 -6.0 8.7 9.0 44 44 A E T 3 S+ 0 0 198 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.371 99.8 14.0 -68.5 135.1 -7.2 12.3 9.3 45 45 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.518 104.7 103.5 81.6 6.9 -6.0 14.1 12.4 46 46 A K < - 0 0 71 -3,-1.6 2,-0.3 63,-0.1 -1,-0.3 -0.762 51.4-156.6-114.6 164.7 -3.3 11.6 13.3 47 47 A Q E -c 109 0A 69 61,-2.4 63,-2.6 -2,-0.3 2,-0.2 -0.924 21.3-109.5-133.9 161.3 0.4 11.7 12.9 48 48 A N E - d 0 70A 0 21,-0.6 23,-2.3 -9,-0.3 2,-0.4 -0.562 26.5-135.4 -88.3 155.5 3.1 9.1 12.7 49 49 A A E -cd 112 71A 0 62,-3.4 64,-3.6 21,-0.2 2,-0.4 -0.907 12.1-159.1-113.3 136.6 5.6 8.5 15.4 50 50 A V E -cd 113 72A 0 21,-2.5 23,-2.5 -2,-0.4 2,-0.4 -0.970 4.0-161.6-115.1 130.9 9.4 8.0 14.8 51 51 A I E +cd 114 73A 0 62,-2.7 64,-2.6 -2,-0.4 65,-0.3 -0.947 20.2 161.1-113.0 132.7 11.6 6.3 17.4 52 52 A M E - d 0 74A 0 21,-2.2 23,-2.1 -2,-0.4 65,-0.3 -0.987 36.3-105.4-150.1 160.3 15.4 6.8 17.2 53 53 A G E > - d 0 75A 12 63,-2.3 4,-2.0 -2,-0.3 23,-0.1 -0.183 40.6-103.2 -75.4 176.0 18.5 6.5 19.3 54 54 A K H > S+ 0 0 65 21,-0.6 4,-2.2 2,-0.2 5,-0.2 0.864 118.9 50.4 -72.7 -43.4 20.4 9.4 20.7 55 55 A K H > S+ 0 0 143 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.914 110.7 51.0 -67.2 -39.2 23.2 9.4 18.2 56 56 A T H >> S+ 0 0 38 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.920 108.7 50.6 -63.1 -46.6 20.7 9.3 15.3 57 57 A W H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.915 111.4 48.5 -54.0 -47.2 18.8 12.3 16.7 58 58 A F H 3< S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.666 98.7 69.3 -71.4 -15.3 22.0 14.3 17.0 59 59 A S H << S+ 0 0 46 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.687 81.6 91.5 -76.4 -14.8 22.9 13.3 13.5 60 60 A I S << S- 0 0 23 -3,-1.4 5,-0.1 -4,-0.5 -39,-0.0 -0.697 95.4-102.4 -82.8 131.7 20.1 15.5 12.2 61 61 A P > - 0 0 83 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.209 33.8-124.4 -49.6 130.7 21.1 19.1 11.4 62 62 A E G > S+ 0 0 128 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.835 109.6 54.7 -51.0 -43.7 19.8 21.1 14.3 63 63 A K G 3 S+ 0 0 169 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.816 105.2 57.9 -67.3 -21.2 17.8 23.5 12.3 64 64 A N G < S+ 0 0 99 -3,-1.0 -1,-0.3 3,-0.0 4,-0.2 0.147 88.9 145.8 -91.7 15.0 16.1 20.4 10.8 65 65 A R < + 0 0 51 -3,-1.8 2,-0.2 2,-0.1 21,-0.1 -0.902 46.9 27.0-114.4 150.2 14.8 19.0 14.2 66 66 A P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.623 97.3-103.4 -77.4 164.5 12.4 17.5 15.1 67 67 A L > - 0 0 19 -2,-0.2 3,-1.3 1,-0.1 -2,-0.1 -0.416 51.1-110.4 -53.8 117.2 11.4 15.7 11.9 68 68 A K T 3 S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.127 92.4 13.6 -54.1 141.2 8.5 17.8 10.8 69 69 A D T 3 S+ 0 0 87 1,-0.2 -21,-0.6 -3,-0.1 2,-0.4 0.529 110.0 90.7 67.3 16.0 5.0 16.4 11.0 70 70 A R E < S-d 48 0A 6 -3,-1.3 2,-0.7 -23,-0.1 -21,-0.2 -0.979 81.3-114.3-136.2 151.7 6.0 13.4 13.1 71 71 A I E -d 49 0A 8 -23,-2.3 -21,-2.5 -2,-0.4 2,-0.6 -0.787 35.9-146.9 -84.4 112.8 6.1 12.9 16.9 72 72 A N E -d 50 0A 0 -2,-0.7 16,-1.7 13,-0.2 15,-1.6 -0.792 17.9-177.2 -85.8 118.7 9.9 12.4 17.6 73 73 A I E -de 51 88A 0 -23,-2.5 -21,-2.2 -2,-0.6 2,-0.4 -0.986 7.4-161.8-117.2 126.3 10.7 10.1 20.4 74 74 A V E -de 52 89A 0 14,-2.4 16,-2.2 -2,-0.5 2,-0.4 -0.865 8.2-143.7-108.5 141.4 14.4 9.6 21.4 75 75 A L E +de 53 90A 22 -23,-2.1 -21,-0.6 -2,-0.4 2,-0.3 -0.888 31.5 151.1-104.8 135.6 15.7 6.7 23.4 76 76 A S - 0 0 10 14,-2.0 -2,-0.0 -2,-0.4 16,-0.0 -0.902 37.7-162.6-164.1 137.3 18.5 7.3 26.0 77 77 A R S S+ 0 0 226 -2,-0.3 14,-0.1 1,-0.1 -1,-0.1 0.576 98.4 48.3 -91.0 -18.0 19.6 5.6 29.2 78 78 A E S S+ 0 0 159 2,-0.0 2,-0.1 13,-0.0 -1,-0.1 0.768 87.5 87.8 -95.8 -36.9 21.7 8.7 30.0 79 79 A L - 0 0 57 1,-0.1 -3,-0.1 4,-0.0 3,-0.1 -0.418 51.1-161.8 -73.6 151.8 19.5 11.8 29.4 80 80 A K S S+ 0 0 209 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.742 78.5 22.1 -96.3 -33.2 17.3 13.3 32.1 81 81 A E S S- 0 0 66 7,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.914 96.4 -82.8-136.4 157.7 15.1 15.2 29.7 82 82 A A - 0 0 39 -2,-0.3 3,-0.1 7,-0.1 7,-0.1 -0.385 55.4-107.5 -59.0 135.9 14.2 15.2 26.0 83 83 A P > - 0 0 15 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.389 55.7 -72.6 -65.5 149.9 16.8 16.9 23.9 84 84 A K T 3 S+ 0 0 145 1,-0.3 3,-0.1 -3,-0.1 -19,-0.0 -0.245 122.8 19.0 -51.6 120.0 15.7 20.3 22.6 85 85 A G T 3 S+ 0 0 32 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.074 95.3 115.9 105.0 -22.5 13.1 19.8 19.9 86 86 A A < - 0 0 16 -3,-2.3 -1,-0.4 1,-0.1 -13,-0.1 -0.612 58.1-145.8 -78.0 147.5 12.2 16.2 20.7 87 87 A H S S+ 0 0 84 -15,-1.6 2,-0.3 1,-0.2 -14,-0.2 0.804 76.9 6.1 -79.0 -43.4 8.6 15.4 21.8 88 88 A Y E -e 73 0A 85 -16,-1.7 -14,-2.4 -7,-0.1 2,-0.4 -0.988 56.2-148.5-148.8 153.8 9.5 12.6 24.2 89 89 A L E -e 74 0A 23 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.933 19.9-173.8-121.9 136.0 12.4 10.8 25.8 90 90 A S E -e 75 0A 5 -16,-2.2 -14,-2.0 -2,-0.4 3,-0.1 -0.970 25.9-144.8-135.1 146.8 12.2 7.2 26.7 91 91 A K S S+ 0 0 106 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.579 83.8 3.4 -88.1 -12.3 14.6 4.9 28.5 92 92 A S S > S- 0 0 41 1,-0.1 4,-2.1 -16,-0.0 -1,-0.1 -0.956 76.5-102.3-160.1 171.2 13.8 1.8 26.5 93 93 A L H > S+ 0 0 9 -2,-0.3 4,-3.8 1,-0.2 5,-0.2 0.885 122.2 56.9 -64.4 -40.7 11.8 0.6 23.5 94 94 A D H > S+ 0 0 101 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.921 106.1 48.3 -54.5 -48.7 9.3 -0.9 25.9 95 95 A D H > S+ 0 0 84 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.904 112.9 48.5 -58.6 -46.0 8.8 2.5 27.6 96 96 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.949 112.2 48.6 -59.7 -48.5 8.3 4.1 24.2 97 97 A L H X S+ 0 0 19 -4,-3.8 4,-1.4 1,-0.2 -2,-0.2 0.973 113.6 47.2 -58.5 -50.0 5.8 1.4 23.2 98 98 A A H >X S+ 0 0 56 -4,-3.4 3,-1.4 1,-0.2 4,-1.2 0.950 109.6 52.9 -51.5 -57.9 4.0 1.9 26.5 99 99 A L H >< S+ 0 0 40 -4,-3.4 3,-1.0 1,-0.3 6,-0.4 0.887 105.2 55.4 -46.5 -47.7 3.9 5.6 26.2 100 100 A L H 3< S+ 0 0 5 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.804 104.4 52.9 -57.7 -35.0 2.4 5.4 22.7 101 101 A D H << S+ 0 0 92 -3,-1.4 -1,-0.3 -4,-1.4 -2,-0.2 0.688 86.5 115.2 -73.5 -22.2 -0.4 3.3 24.1 102 102 A S S S+ 0 0 111 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.924 112.2 57.2 -62.3 -48.2 -4.3 7.8 26.2 104 104 A E H 4 S+ 0 0 53 1,-0.2 4,-0.2 2,-0.1 -4,-0.1 0.832 122.3 27.6 -50.5 -39.7 -2.8 11.2 25.3 105 105 A L H >> S+ 0 0 2 -6,-0.4 3,-2.0 2,-0.1 4,-1.1 0.874 104.5 71.8 -90.4 -54.3 -0.9 9.6 22.5 106 106 A K H 3< S+ 0 0 45 -4,-3.7 3,-0.5 -7,-0.3 -2,-0.1 0.810 102.9 47.2 -36.3 -45.4 -3.0 6.6 21.4 107 107 A S T 3< S+ 0 0 86 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.774 113.7 46.8 -72.3 -27.4 -5.6 8.9 19.9 108 108 A K T <4 S+ 0 0 78 -3,-2.0 -61,-2.4 -4,-0.2 2,-0.5 0.483 97.6 84.0 -94.6 -4.8 -3.1 11.1 18.0 109 109 A V E < + c 0 47A 15 -4,-1.1 -61,-0.2 -3,-0.5 3,-0.1 -0.900 37.4 168.0-117.4 128.7 -0.9 8.4 16.5 110 110 A D E + 0 0 47 -63,-2.6 2,-0.3 -2,-0.5 -62,-0.2 0.905 68.3 14.0 -90.8 -85.6 -1.3 6.5 13.3 111 111 A M E - 0 0 32 -73,-0.1 -62,-3.4 -72,-0.1 2,-0.6 -0.730 59.4-144.0-103.4 149.2 2.0 4.6 12.5 112 112 A V E - c 0 49A 10 -109,-0.4 -107,-1.7 -2,-0.3 2,-0.4 -0.936 19.3-171.0-107.9 120.8 5.1 3.9 14.5 113 113 A W E -bc 5 50A 5 -64,-3.6 -62,-2.7 -2,-0.6 2,-0.6 -0.947 15.2-148.4-117.9 131.4 8.4 3.9 12.6 114 114 A I E +bc 6 51A 0 -109,-2.8 -107,-1.7 -2,-0.4 -62,-0.2 -0.925 15.8 179.6 -95.0 121.3 11.7 2.8 13.9 115 115 A V - 0 0 16 -64,-2.6 -63,-0.2 -2,-0.6 -1,-0.1 0.119 35.8-164.7-113.5 18.9 14.5 4.9 12.4 116 116 A G - 0 0 1 -65,-0.3 -63,-2.3 1,-0.2 -1,-0.4 -0.264 50.3-151.4 90.4-176.9 17.6 3.4 14.1 117 117 A G >> - 0 0 17 -65,-0.3 4,-2.9 -61,-0.1 3,-0.5 0.259 61.2 -87.3 -79.6-153.5 20.4 3.1 15.1 118 118 A T H 3> S+ 0 0 56 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.903 125.3 46.6 -44.6 -61.1 21.6 -0.5 15.5 119 119 A A H 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.809 113.9 49.6 -56.8 -39.0 20.5 -1.1 19.0 120 120 A V H <> S+ 0 0 11 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.933 111.1 48.5 -68.8 -43.6 17.0 0.3 18.3 121 121 A Y H X S+ 0 0 13 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.957 112.4 50.6 -57.4 -50.0 16.6 -1.8 15.2 122 122 A K H X S+ 0 0 108 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.864 109.5 47.9 -54.1 -50.9 17.6 -4.8 17.1 123 123 A A H >X S+ 0 0 33 -4,-1.9 4,-0.9 2,-0.2 3,-0.5 0.954 113.2 48.3 -55.5 -55.5 15.2 -4.3 20.0 124 124 A A H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 5,-0.2 0.888 108.7 54.5 -57.3 -41.1 12.3 -3.7 17.6 125 125 A M H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.2 54.3 -64.0 -31.9 13.1 -6.8 15.6 126 126 A E H << S+ 0 0 121 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.680 81.3 103.2 -76.8 -22.1 13.1 -9.0 18.7 127 127 A K S << S- 0 0 29 -4,-0.9 2,-2.3 -3,-0.9 -3,-0.0 -0.429 79.1-126.5 -64.6 134.5 9.6 -8.0 19.8 128 128 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.543 73.0 114.0 -82.2 69.1 7.1 -10.8 19.0 129 129 A I S S- 0 0 31 -2,-2.3 -126,-0.1 -5,-0.2 -127,-0.1 -0.964 80.0 -81.4-140.5 154.0 4.9 -8.3 17.1 130 130 A N E +a 3 0A 62 -128,-0.6 -126,-2.6 -2,-0.3 2,-0.3 -0.272 58.6 177.3 -54.4 132.4 3.8 -7.8 13.6 131 131 A H E -aF 4 184A 3 53,-2.3 53,-3.5 -128,-0.2 2,-0.4 -0.978 25.9-161.6-153.0 134.8 6.5 -5.9 11.8 132 132 A R E -aF 5 183A 80 -128,-2.4 -126,-2.3 -2,-0.3 2,-0.5 -0.955 11.9-158.2-116.3 133.0 7.3 -4.5 8.4 133 133 A L E -aF 6 182A 0 49,-2.6 49,-2.6 -2,-0.4 2,-0.7 -0.968 1.3-159.9-119.4 118.4 10.9 -3.6 7.5 134 134 A F E -aF 7 181A 3 -128,-3.3 -126,-2.4 -2,-0.5 2,-0.5 -0.926 18.0-175.3-102.4 107.4 11.5 -1.2 4.6 135 135 A V E -aF 8 180A 5 45,-2.7 45,-3.1 -2,-0.7 2,-0.7 -0.951 20.1-159.2-109.7 130.1 15.0 -1.7 3.4 136 136 A T E -aF 9 179A 0 -128,-2.2 -126,-3.0 -2,-0.5 2,-0.8 -0.940 16.2-156.8-101.3 110.0 16.8 0.3 0.7 137 137 A R E -aF 10 178A 41 41,-3.2 41,-1.8 -2,-0.7 2,-0.6 -0.838 0.2-157.0 -93.8 112.1 19.7 -1.8 -0.6 138 138 A I E - F 0 177A 1 -128,-3.3 2,-1.7 -2,-0.8 -126,-0.3 -0.734 13.7-141.3 -89.2 114.6 22.5 0.4 -2.1 139 139 A L S S+ 0 0 41 37,-2.3 2,-0.3 -2,-0.6 37,-0.1 -0.278 72.4 71.7 -77.9 50.9 24.4 -1.9 -4.5 140 140 A H S S- 0 0 57 -2,-1.7 -128,-2.8 35,-0.1 2,-0.5 -0.872 78.3-113.9-154.3 166.2 27.8 -0.5 -3.7 141 141 A E + 0 0 144 -2,-0.3 2,-0.3 -130,-0.2 -2,-0.1 -0.986 30.7 173.4-115.8 129.3 30.3 -0.6 -0.8 142 142 A F - 0 0 47 -2,-0.5 2,-0.2 -118,-0.0 -129,-0.2 -0.917 44.8 -91.8-124.9 155.3 31.2 2.4 1.3 143 143 A E + 0 0 144 -2,-0.3 2,-0.3 -120,-0.2 -2,-0.0 -0.490 53.5 177.1 -69.9 131.9 33.3 2.4 4.4 144 144 A S - 0 0 20 -2,-0.2 -126,-0.3 1,-0.1 3,-0.1 -0.960 32.6-170.4-135.2 153.8 31.1 2.1 7.4 145 145 A D S S+ 0 0 66 -128,-2.7 2,-0.4 -2,-0.3 -127,-0.2 0.364 77.8 57.9-123.7 2.2 31.7 1.8 11.1 146 146 A T E -I 17 0B 43 -129,-1.5 -130,-2.8 -28,-0.0 -129,-1.2 -0.997 69.8-161.4-137.0 138.5 28.0 1.0 12.1 147 147 A F E -I 15 0B 88 -2,-0.4 -132,-0.2 -132,-0.3 -133,-0.1 -0.799 23.6-108.9-127.6 162.1 26.0 -1.9 10.9 148 148 A F - 0 0 18 -134,-3.2 3,-0.1 -2,-0.3 -30,-0.1 -0.638 45.6-112.4 -82.3 138.7 22.5 -3.2 10.5 149 149 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.183 43.7 -83.7 -64.3 163.9 21.7 -6.1 12.9 150 150 A E - 0 0 193 1,-0.0 2,-0.4 2,-0.0 -136,-0.0 -0.562 41.7-141.1 -73.9 129.5 21.2 -9.6 11.4 151 151 A I - 0 0 26 -2,-0.3 2,-1.1 -3,-0.1 -1,-0.0 -0.765 16.1-123.0 -93.4 133.1 17.6 -10.2 10.2 152 152 A D >> - 0 0 60 -2,-0.4 4,-2.7 1,-0.2 3,-1.8 -0.721 18.9-161.5 -78.0 98.8 16.2 -13.6 10.8 153 153 A Y T 34 S+ 0 0 145 -2,-1.1 -1,-0.2 1,-0.3 5,-0.1 0.472 87.7 62.9 -60.5 -6.5 15.2 -14.7 7.3 154 154 A K T 34 S+ 0 0 150 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.744 114.4 30.4 -88.1 -28.9 12.9 -17.3 8.8 155 155 A D T <4 S+ 0 0 77 -3,-1.8 2,-0.8 1,-0.2 30,-0.5 0.833 114.2 61.1 -93.2 -48.1 10.7 -14.7 10.5 156 156 A F E < S-G 184 0A 8 -4,-2.7 2,-0.4 28,-0.2 28,-0.2 -0.821 70.7-164.8 -89.1 106.1 11.1 -11.8 8.0 157 157 A K E -G 183 0A 117 26,-2.7 26,-3.2 -2,-0.8 2,-0.4 -0.782 20.2-126.3 -94.6 134.0 9.7 -12.8 4.6 158 158 A L E -G 182 0A 85 -2,-0.4 24,-0.3 24,-0.3 2,-0.3 -0.698 23.4-134.8 -76.0 126.3 10.6 -10.6 1.7 159 159 A L - 0 0 46 22,-3.2 22,-0.5 -2,-0.4 3,-0.1 -0.641 0.8-144.3 -81.2 147.8 7.5 -9.5 -0.2 160 160 A T S S+ 0 0 145 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.616 83.3 10.3 -86.0 -15.1 7.7 -9.7 -3.9 161 161 A E - 0 0 152 20,-0.1 -1,-0.3 2,-0.0 19,-0.0 -0.972 60.8-176.8-162.5 152.8 5.6 -6.6 -4.2 162 162 A Y > - 0 0 55 3,-0.5 3,-2.3 -2,-0.3 2,-0.2 -0.957 39.2 -93.3-157.0 134.8 4.2 -3.8 -2.1 163 163 A P T 3 S+ 0 0 102 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.163 107.8 4.3 -51.7 110.8 1.9 -0.9 -2.8 164 164 A G T 3 S+ 0 0 75 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 0.477 100.2 113.7 92.8 4.6 3.8 2.3 -3.6 165 165 A V < - 0 0 20 -3,-2.3 -3,-0.5 14,-0.0 -1,-0.2 -0.941 68.2-129.1-110.8 110.7 7.3 0.6 -3.6 166 166 A P - 0 0 54 0, 0.0 13,-0.4 0, 0.0 4,-0.1 -0.310 14.5-155.0 -53.9 144.7 8.9 0.6 -7.0 167 167 A A + 0 0 80 11,-0.1 3,-0.1 2,-0.1 2,-0.0 0.786 62.6 82.2 -95.1 -34.0 10.1 -2.9 -7.8 168 168 A D S S- 0 0 124 1,-0.1 11,-0.4 10,-0.1 2,-0.3 -0.258 92.9 -88.9 -69.4 163.3 12.9 -2.2 -10.3 169 169 A I - 0 0 87 9,-0.1 9,-0.2 7,-0.0 2,-0.2 -0.545 47.3-147.6 -69.2 132.4 16.5 -1.3 -9.5 170 170 A Q E -H 177 0A 53 7,-3.4 7,-2.0 -2,-0.3 2,-0.3 -0.562 8.8-156.8 -98.6 163.2 16.7 2.5 -9.2 171 171 A E E +H 176 0A 133 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.987 18.8 159.2-141.8 146.5 19.7 4.6 -10.1 172 172 A E E > S+H 175 0A 25 3,-2.5 3,-3.2 -2,-0.3 -2,-0.0 -0.931 71.3 3.2-169.1 136.4 20.8 8.1 -9.0 173 173 A D T 3 S- 0 0 122 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.794 130.0 -59.6 47.7 41.1 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 0.463 115.3 116.4 70.6 8.0 25.6 6.7 -10.8 175 175 A I E < - H 0 172A 32 -3,-3.2 -3,-2.5 -35,-0.0 2,-0.4 -0.890 53.6-147.9-107.4 141.9 24.6 4.6 -7.8 176 176 A Q E + H 0 171A 85 -2,-0.4 -37,-2.3 -5,-0.2 2,-0.3 -0.830 23.1 161.7-105.6 144.1 22.1 1.8 -8.0 177 177 A Y E -FH 138 170A 5 -7,-2.0 -7,-3.4 -2,-0.4 2,-0.4 -0.959 21.3-148.0-151.5 165.3 19.7 0.7 -5.2 178 178 A K E -F 137 0A 65 -41,-1.8 -41,-3.2 -2,-0.3 2,-0.4 -0.996 15.7-129.8-136.5 146.6 16.5 -1.3 -4.7 179 179 A F E -F 136 0A 17 -11,-0.4 2,-0.3 -13,-0.4 -43,-0.2 -0.758 28.9-178.1 -93.2 138.5 13.7 -1.0 -2.3 180 180 A E E -F 135 0A 19 -45,-3.1 -45,-2.7 -2,-0.4 2,-0.4 -0.943 14.2-157.5-135.7 149.9 12.7 -4.2 -0.4 181 181 A V E -F 134 0A 5 -22,-0.5 -22,-3.2 -2,-0.3 2,-0.3 -0.999 8.5-171.3-129.6 129.5 10.0 -4.9 2.1 182 182 A Y E -FG 133 158A 11 -49,-2.6 -49,-2.6 -2,-0.4 2,-0.4 -0.877 9.1-152.5-118.3 153.0 10.1 -7.8 4.6 183 183 A Q E -FG 132 157A 50 -26,-3.2 -26,-2.7 -2,-0.3 2,-0.5 -0.993 9.6-164.1-134.7 132.7 7.3 -8.9 6.8 184 184 A K E -FG 131 156A 23 -53,-3.5 -53,-2.3 -2,-0.4 2,-0.5 -0.958 13.9-158.2-115.2 126.3 7.1 -10.6 10.1 185 185 A S 0 0 88 -30,-0.5 -55,-0.1 -2,-0.5 -2,-0.0 -0.905 360.0 360.0-107.5 126.0 3.8 -12.1 11.2 186 186 A V 0 0 108 -2,-0.5 -1,-0.1 -58,-0.0 -57,-0.1 0.630 360.0 360.0-120.0 360.0 2.9 -12.8 14.7