==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-FEB-13 4J57 . COMPND 2 MOLECULE: THIOREDOXIN REDUCTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR K.FRITZ-WOLF,E.JORTZIK,M.STUMPF,J.PREUSS,R.IOZEF,S.RAHLFS,K. . 1172 6 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 836 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 94 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 6 4 4 0 4 2 2 2 0 4 2 0 2 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 3 10 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 PARALLEL BRIDGES PER LADDER . 6 2 2 4 5 8 2 2 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 . 3 4 2 4 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 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 38 A H 0 0 205 0, 0.0 2,-0.4 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 136.9 7.3 67.9 194.5 2 39 A T + 0 0 124 146,-0.0 2,-0.3 147,-0.0 146,-0.1 -0.828 360.0 177.1-110.0 135.7 5.8 67.8 191.0 3 40 A Y - 0 0 48 -2,-0.4 145,-0.1 1,-0.1 3,-0.1 -0.944 38.3-123.7-129.7 153.3 7.4 66.6 187.7 4 41 A D S S+ 0 0 85 -2,-0.3 2,-0.3 1,-0.2 144,-0.2 0.932 99.2 10.3 -56.6 -48.2 6.2 66.2 184.1 5 42 A Y E -a 148 0A 62 142,-1.6 144,-2.0 1,-0.1 145,-0.2 -0.939 61.1-139.0-133.3 154.7 7.2 62.5 184.2 6 43 A D E S+ 0 0 37 23,-1.5 144,-1.4 1,-0.3 2,-0.4 0.839 97.3 20.2 -76.2 -34.6 8.4 60.0 186.8 7 44 A Y E -ab 150 30A 0 22,-1.7 24,-2.1 142,-0.2 2,-0.5 -0.985 63.4-177.5-142.5 119.9 11.0 58.6 184.5 8 45 A V E -ab 151 31A 1 142,-2.5 144,-2.3 -2,-0.4 2,-0.4 -0.986 13.0-167.9-120.1 123.1 12.5 60.1 181.4 9 46 A V E -ab 152 32A 0 22,-2.3 24,-2.5 -2,-0.5 2,-0.7 -0.899 15.3-149.5-114.9 139.1 15.0 58.0 179.5 10 47 A I E +ab 153 33A 9 142,-3.0 144,-2.7 -2,-0.4 24,-0.1 -0.910 69.6 51.8-106.8 104.9 17.3 59.0 176.7 11 48 A G - 0 0 8 22,-2.6 23,-0.2 -2,-0.7 144,-0.1 0.077 55.2-151.2 134.4 111.9 17.8 56.1 174.3 12 49 A G + 0 0 0 4,-0.2 36,-0.7 23,-0.1 22,-0.1 -0.032 64.7 113.4 -94.4 33.4 15.5 53.8 172.5 13 50 A G S > S- 0 0 11 141,-0.5 4,-2.8 36,-0.1 5,-0.3 -0.284 90.2 -77.6 -87.3-176.3 18.0 51.0 172.5 14 51 A P H > S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.862 130.9 44.8 -51.4 -44.1 17.6 47.6 174.4 15 52 A G H > S+ 0 0 6 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.925 115.9 45.6 -68.5 -44.2 18.6 49.2 177.8 16 53 A G H > S+ 0 0 1 138,-0.3 4,-2.1 2,-0.2 -4,-0.2 0.938 115.8 44.0 -67.8 -48.6 16.4 52.2 177.5 17 54 A M H X S+ 0 0 8 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.940 114.7 49.3 -62.3 -48.8 13.3 50.5 176.2 18 55 A A H X S+ 0 0 10 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.935 112.9 47.3 -56.0 -48.3 13.6 47.7 178.8 19 56 A S H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.869 116.3 45.4 -64.0 -33.7 14.0 50.1 181.6 20 57 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 113.4 46.5 -75.2 -49.1 11.1 52.2 180.4 21 58 A K H X S+ 0 0 55 -4,-3.4 4,-1.2 1,-0.2 -2,-0.2 0.918 114.4 49.4 -59.4 -44.3 8.6 49.4 179.7 22 59 A E H < S+ 0 0 32 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.871 110.0 49.9 -65.2 -37.6 9.5 47.9 183.1 23 60 A A H ><>S+ 0 0 0 -4,-1.4 5,-1.9 -5,-0.2 3,-0.6 0.837 108.0 54.6 -71.6 -30.3 9.0 51.1 185.0 24 61 A A H ><5S+ 0 0 16 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.775 101.0 58.6 -72.4 -26.0 5.6 51.7 183.3 25 62 A A T 3<5S+ 0 0 75 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.585 103.4 54.4 -82.1 -9.7 4.4 48.3 184.5 26 63 A H T < 5S- 0 0 64 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.001 131.7 -85.9-112.3 28.5 5.0 49.4 188.1 27 64 A G T < 5S+ 0 0 71 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.140 79.1 141.0 106.5 -16.9 2.9 52.5 187.8 28 65 A A < - 0 0 13 -5,-1.9 2,-0.7 316,-0.1 -1,-0.3 -0.149 53.2-128.4 -68.9 149.0 5.3 55.1 186.4 29 66 A R - 0 0 126 88,-0.1 -22,-1.7 2,-0.0 -23,-1.5 -0.899 42.2-171.3 -85.0 115.7 4.6 57.9 183.8 30 67 A V E -bc 7 117A 3 -2,-0.7 88,-2.4 86,-0.6 2,-0.4 -0.904 20.3-173.7-117.9 140.3 7.4 57.2 181.4 31 68 A L E -bc 8 118A 1 -24,-2.1 -22,-2.3 -2,-0.4 2,-0.4 -0.999 9.6-166.8-128.6 136.7 8.7 59.2 178.4 32 69 A L E -bc 9 119A 0 86,-3.5 88,-2.6 -2,-0.4 2,-0.4 -0.981 6.0-156.8-126.7 131.3 11.4 57.9 176.1 33 70 A F E +bc 10 120A 1 -24,-2.5 -22,-2.6 -2,-0.4 2,-0.3 -0.868 14.7 171.1 -99.8 135.4 13.4 59.7 173.5 34 71 A D + 0 0 18 86,-1.7 2,-0.3 -2,-0.4 89,-0.1 -0.916 6.5 157.7-140.3 123.4 15.1 58.0 170.6 35 72 A Y - 0 0 68 -2,-0.3 2,-0.7 86,-0.2 -23,-0.1 -0.993 31.9-136.5-134.0 142.2 16.7 59.8 167.7 36 73 A V - 0 0 17 -2,-0.3 3,-0.1 9,-0.2 9,-0.1 -0.836 10.7-148.9-105.3 103.0 19.3 58.4 165.4 37 74 A K - 0 0 68 -2,-0.7 6,-0.1 1,-0.1 101,-0.0 -0.495 36.7-101.6 -63.0 130.6 22.3 60.7 164.6 38 75 A P - 0 0 66 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.080 36.9-112.1 -56.5 152.0 23.5 59.8 161.0 39 76 A S > - 0 0 11 4,-2.0 3,-2.6 137,-0.1 134,-0.0 -0.189 39.4 -87.2 -76.3 175.4 26.7 57.7 160.6 40 77 A S T 3 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.1 133,-0.1 0.821 136.7 43.5 -47.7 -35.4 30.0 58.8 159.1 41 78 A Q T 3 S- 0 0 81 2,-0.1 -1,-0.3 130,-0.0 132,-0.0 0.246 125.9-103.6 -98.6 11.9 28.4 57.9 155.8 42 79 A G < + 0 0 48 -3,-2.6 2,-0.3 1,-0.2 -2,-0.1 0.781 68.5 153.5 76.4 27.8 25.1 59.5 156.6 43 80 A T + 0 0 30 -6,-0.1 -4,-2.0 2,-0.0 2,-0.3 -0.696 14.8 171.9 -90.7 140.0 23.3 56.3 157.3 44 81 A K - 0 0 138 -2,-0.3 2,-0.3 -6,-0.2 -7,-0.1 -0.912 8.1-173.8-141.7 173.3 20.3 56.2 159.6 45 82 A W - 0 0 30 -2,-0.3 -9,-0.2 1,-0.1 3,-0.1 -0.918 25.7 -81.1-156.3 176.3 17.6 53.8 160.8 46 83 A G > - 0 0 21 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.175 62.3 -52.2 -77.7-164.5 14.4 53.4 162.9 47 84 A I T 3 S+ 0 0 9 1,-0.2 -1,-0.2 -13,-0.1 61,-0.1 -0.239 95.8 67.9 -70.2 153.7 13.7 52.8 166.5 48 85 A G T 3 S- 0 0 0 -36,-0.7 2,-0.2 -3,-0.1 3,-0.2 -0.025 84.9-112.7 131.8 -32.3 15.3 50.0 168.6 49 86 A G <> - 0 0 11 -3,-0.5 4,-1.1 -36,-0.2 5,-0.4 -0.668 55.6 -39.1 107.6-162.0 19.0 50.8 169.0 50 87 A T H > S+ 0 0 37 -2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.943 125.4 58.2 -71.3 -48.1 22.2 49.2 167.8 51 88 A a H > S+ 0 0 9 -3,-0.2 6,-2.1 1,-0.2 4,-0.8 0.891 112.5 35.7 -49.5 -54.7 21.2 45.6 168.2 52 89 A V H 4 S+ 0 0 0 -4,-0.2 -1,-0.2 4,-0.2 -2,-0.2 0.833 128.7 30.4 -73.9 -35.2 18.1 45.6 165.9 53 90 A N H < S+ 0 0 2 -4,-1.1 -2,-0.2 -7,-0.1 -3,-0.2 0.884 138.8 4.6 -96.8 -43.8 19.3 48.0 163.2 54 91 A V H < S+ 0 0 6 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 -0.062 122.9 41.2-138.6 33.1 23.0 47.8 162.9 55 92 A G S X S+ 0 0 15 -4,-0.8 4,-2.9 -5,-0.3 5,-0.3 -0.225 106.3 1.9-144.4-129.5 24.1 44.9 165.2 56 93 A a H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.820 123.2 50.9 -44.5 -48.4 23.1 41.4 166.4 57 94 A V H > S+ 0 0 6 -6,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.978 117.0 33.0 -62.4 -62.8 20.1 41.1 164.2 58 95 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.868 118.0 58.1 -68.0 -29.2 21.4 42.0 160.7 59 96 A K H X S+ 0 0 20 -4,-2.9 4,-2.6 -8,-0.2 -2,-0.2 0.963 107.6 45.7 -53.3 -55.8 24.8 40.4 161.7 60 97 A K H X S+ 0 0 8 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.808 111.4 53.5 -61.2 -30.5 23.2 37.0 162.4 61 98 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.903 111.3 43.3 -74.7 -39.7 21.2 37.2 159.2 62 99 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.867 109.4 58.2 -75.6 -34.1 24.2 37.8 157.0 63 100 A H H X S+ 0 0 19 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.932 105.6 50.6 -55.2 -43.4 26.1 35.2 158.9 64 101 A Y H X S+ 0 0 26 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.902 107.5 53.6 -65.0 -36.3 23.4 32.8 157.9 65 102 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.886 114.8 40.7 -61.4 -40.0 23.8 33.9 154.3 66 103 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.855 110.9 54.4 -81.1 -36.9 27.5 33.1 154.4 67 104 A H H X S+ 0 0 70 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.880 107.4 54.1 -62.7 -34.9 27.3 30.0 156.3 68 105 A M H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.927 105.4 52.7 -61.5 -47.1 24.9 28.9 153.7 69 106 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.927 106.4 52.5 -54.2 -48.4 27.5 29.7 151.0 70 107 A S H X>S+ 0 0 10 -4,-2.4 4,-3.1 1,-0.2 5,-0.6 0.890 107.3 53.1 -57.4 -40.7 30.1 27.5 152.8 71 108 A I H X>S+ 0 0 6 -4,-1.8 5,-2.2 2,-0.2 4,-1.5 0.941 110.2 46.3 -59.6 -49.1 27.7 24.6 152.8 72 109 A F H <5S+ 0 0 6 -4,-2.1 5,-0.4 1,-0.2 -1,-0.2 0.907 121.3 38.9 -56.8 -44.4 27.0 24.7 149.1 73 110 A K H <5S+ 0 0 110 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.826 128.7 24.1 -83.4 -35.1 30.7 25.1 148.3 74 111 A L H <5S+ 0 0 60 -4,-3.1 4,-0.3 -5,-0.2 -3,-0.2 0.848 132.8 19.5-101.2 -37.3 32.3 22.7 150.8 75 112 A D T X45S+ 0 0 158 -5,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.956 108.3 51.6 -65.1 -49.1 28.9 17.8 146.7 78 115 A A T 345S+ 0 0 13 -4,-0.3 503,-0.2 1,-0.3 -1,-0.2 0.771 109.8 52.2 -54.3 -27.4 30.0 15.2 149.3 79 116 A Y T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.389 123.4-100.9 -97.9 2.9 26.3 14.9 150.3 80 117 A G T < 5S+ 0 0 2 -3,-1.9 494,-2.0 1,-0.3 2,-0.5 0.417 75.9 134.3 99.9 -0.2 25.0 14.3 146.8 81 118 A W E < -F 573 0B 9 -5,-2.3 2,-0.4 492,-0.2 -1,-0.3 -0.706 30.7-173.6 -87.4 128.6 23.6 17.7 145.9 82 119 A K E +F 572 0B 129 490,-3.6 490,-2.8 -2,-0.5 2,-0.3 -0.944 13.8 146.7-120.5 146.6 24.5 19.0 142.4 83 120 A F E - 0 0 47 -2,-0.4 2,-0.3 488,-0.2 487,-0.2 -0.973 28.8-132.1-162.1 168.2 23.8 22.4 140.9 84 121 A D E S+F 569 0B 79 485,-2.3 485,-2.3 -2,-0.3 487,-0.1 -0.898 73.1 21.4-127.2 162.8 25.3 24.9 138.4 85 122 A N E - 0 0 108 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.854 67.9-172.8 57.2 42.6 25.9 28.6 138.3 86 123 A L E + 0 0 45 -3,-0.1 2,-0.3 482,-0.1 482,-0.2 -0.552 16.7 156.5 -68.1 120.2 25.9 29.2 142.0 87 124 A K E -F 567 0B 153 480,-2.5 480,-2.9 -2,-0.5 2,-0.4 -0.989 34.0-131.9-143.2 159.6 26.1 33.0 142.6 88 125 A H E -F 566 0B 31 -2,-0.3 2,-0.7 478,-0.2 478,-0.2 -0.901 8.8-149.0-115.1 143.0 25.2 35.5 145.3 89 126 A D > - 0 0 56 476,-2.0 4,-1.7 -2,-0.4 5,-0.2 -0.900 3.7-166.5-110.5 108.4 23.3 38.8 145.0 90 127 A W H > S+ 0 0 1 -2,-0.7 4,-2.0 2,-0.2 5,-0.2 0.910 88.4 52.2 -62.3 -39.1 24.4 41.4 147.4 91 128 A K H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 107.5 50.9 -64.5 -48.8 21.4 43.6 146.7 92 129 A K H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 109.9 50.8 -52.8 -44.8 18.8 40.9 147.3 93 130 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.907 108.0 52.4 -62.6 -40.8 20.4 40.0 150.6 94 131 A V H X S+ 0 0 16 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.903 107.9 50.7 -67.5 -36.6 20.3 43.6 151.8 95 132 A T H X S+ 0 0 75 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.939 111.3 48.0 -66.9 -41.8 16.6 43.9 151.0 96 133 A T H X S+ 0 0 9 -4,-2.1 4,-1.5 467,-0.2 -2,-0.2 0.924 116.3 44.8 -60.1 -44.4 15.8 40.7 152.9 97 134 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 3,-0.3 0.977 117.7 42.1 -63.2 -54.9 17.9 41.9 155.8 98 135 A Q H X S+ 0 0 44 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.892 110.9 56.1 -63.8 -42.6 16.5 45.5 155.9 99 136 A S H X S+ 0 0 39 -4,-3.0 4,-1.5 -5,-0.3 -1,-0.2 0.865 109.6 46.2 -56.7 -38.1 13.0 44.4 155.3 100 137 A H H X S+ 0 0 13 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.835 110.7 53.3 -76.0 -28.9 13.1 42.2 158.4 101 138 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.910 105.2 54.6 -66.4 -41.8 14.7 45.0 160.4 102 139 A R H X S+ 0 0 86 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.900 105.3 52.9 -61.9 -39.2 11.9 47.3 159.3 103 140 A S H X S+ 0 0 20 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.866 108.3 50.5 -60.9 -37.3 9.3 44.8 160.7 104 141 A L H X S+ 0 0 32 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.868 104.4 58.4 -72.1 -34.2 11.2 44.8 164.0 105 142 A N H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.956 108.4 46.8 -52.0 -51.4 11.1 48.6 164.1 106 143 A F H X S+ 0 0 7 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.942 112.0 46.9 -58.7 -53.9 7.3 48.4 163.9 107 144 A S H X S+ 0 0 47 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.864 111.0 53.4 -61.4 -34.4 6.8 45.7 166.6 108 145 A Y H X S+ 0 0 67 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.896 110.7 48.1 -66.0 -39.3 9.3 47.6 168.9 109 146 A M H >X S+ 0 0 41 -4,-2.0 4,-1.8 2,-0.2 3,-0.6 0.965 112.7 44.5 -63.9 -55.5 7.2 50.8 168.5 110 147 A T H 3X S+ 0 0 20 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.813 109.9 60.2 -62.5 -25.3 3.8 49.2 169.1 111 148 A G H 3X S+ 0 0 18 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.3 0.875 103.4 50.1 -66.1 -39.3 5.5 47.4 172.0 112 149 A L H <<>S+ 0 0 2 -4,-1.5 5,-2.2 -3,-0.6 4,-0.4 0.912 110.9 47.1 -65.1 -44.0 6.3 50.8 173.6 113 150 A R H ><5S+ 0 0 53 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.829 109.9 54.0 -73.1 -28.0 2.8 52.2 173.3 114 151 A S H 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 106.0 52.0 -67.0 -39.2 1.3 49.0 174.7 115 152 A S T 3<5S- 0 0 39 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.533 119.4-114.9 -75.0 -6.1 3.6 49.3 177.8 116 153 A K T < 5 + 0 0 165 -3,-0.5 -86,-0.6 -4,-0.4 2,-0.5 0.868 65.8 145.7 72.9 42.4 2.2 52.8 178.2 117 154 A V E < -c 30 0A 5 -5,-2.2 2,-0.4 -88,-0.1 -1,-0.3 -0.945 48.2-130.0-108.5 122.5 5.6 54.6 177.5 118 155 A K E -c 31 0A 93 -88,-2.4 -86,-3.5 -2,-0.5 2,-0.5 -0.620 25.0-155.7 -75.5 126.6 5.4 57.9 175.7 119 156 A Y E -c 32 0A 53 -2,-0.4 2,-0.5 -88,-0.2 -86,-0.2 -0.901 13.1-175.5-108.9 129.8 7.8 57.9 172.7 120 157 A I E -c 33 0A 24 -88,-2.6 2,-2.3 -2,-0.5 -86,-1.7 -0.979 24.2-142.2-123.3 120.4 9.3 61.0 171.1 121 158 A N + 0 0 55 -2,-0.5 16,-1.8 -88,-0.2 2,-0.3 -0.521 60.5 130.3 -74.0 76.4 11.5 60.9 168.1 122 159 A G E -G 136 0C 2 -2,-2.3 2,-0.6 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