==== 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 13-JUN-06 2IVF . COMPND 2 MOLECULE: ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: AROMATOLEUM AROMATICUM; . AUTHOR D.P.KLOER,C.HAGEL,J.HEIDER,G.E.SCHULZ . 1463 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 933 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 . 1 0.1 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 . 95 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 184 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.1 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 10 7 4 5 5 0 3 0 0 1 4 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 3 2 4 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 . 10 7 9 2 10 2 2 0 1 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 . 10 3 3 0 1 3 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 65 A E >> 0 0 76 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -7.4 34.0 43.1 -32.7 2 66 A D H 3> + 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.690 360.0 75.8 -71.9 -16.6 32.4 46.3 -31.6 3 67 A I H 34 S+ 0 0 94 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.783 103.8 36.9 -66.6 -25.9 29.2 44.5 -30.3 4 68 A Y H X> S+ 0 0 11 -3,-1.0 3,-1.8 2,-0.2 4,-0.8 0.847 111.8 58.1 -88.0 -37.7 31.0 43.2 -27.2 5 69 A R H >< S+ 0 0 43 -4,-1.3 3,-0.8 1,-0.3 1245,-0.4 0.854 97.4 66.5 -52.7 -38.2 33.0 46.4 -26.8 6 70 A K T 3< S+ 0 0 151 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.755 98.5 50.8 -47.3 -36.3 29.6 48.0 -26.6 7 71 A E T <4 S+ 0 0 43 -3,-1.8 2,-1.7 -4,-0.2 -1,-0.2 0.728 91.7 76.1 -80.4 -23.9 28.9 46.3 -23.3 8 72 A W S << S+ 0 0 0 -3,-0.8 1242,-2.5 -4,-0.8 2,-0.3 -0.528 79.9 97.2 -91.9 68.1 32.2 47.4 -21.7 9 73 A K + 0 0 83 -2,-1.7 2,-0.3 1240,-0.2 1239,-0.0 -0.974 41.4 163.1-153.4 151.2 31.0 50.9 -21.0 10 74 A W - 0 0 17 -2,-0.3 25,-0.2 1,-0.1 3,-0.1 -0.957 37.5-125.0-165.0 171.7 29.4 52.7 -18.1 11 75 A D S S- 0 0 109 23,-2.5 2,-0.3 1,-0.3 24,-0.2 0.823 81.1 -11.8 -97.9 -44.4 28.7 56.2 -16.7 12 76 A K E -A 34 0A 83 22,-1.8 22,-2.8 2,-0.0 2,-0.4 -0.982 51.6-139.1-153.8 167.7 30.4 56.2 -13.3 13 77 A V E +A 33 0A 45 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -1.000 20.8 174.8-136.0 133.2 32.0 54.1 -10.6 14 78 A N E -A 32 0A 29 18,-2.0 18,-3.0 -2,-0.4 2,-0.3 -0.848 38.0 -90.4-125.1 169.0 31.6 54.4 -6.8 15 79 A W E +A 31 0A 38 -2,-0.3 596,-2.3 16,-0.2 2,-0.3 -0.596 50.7 168.4 -79.9 137.6 32.8 52.4 -3.9 16 80 A G E +A 30 0A 0 14,-2.4 14,-3.1 -2,-0.3 2,-0.3 -0.974 15.2 161.7-144.5 162.7 30.6 49.6 -2.7 17 81 A S - 0 0 2 -2,-0.3 2,-0.4 12,-0.2 575,-0.2 -0.880 39.0 -97.0-157.4-174.7 30.5 46.6 -0.4 18 82 A H - 0 0 12 -2,-0.3 9,-0.3 10,-0.2 4,-0.2 -0.937 12.8-158.9-121.2 135.5 27.8 44.4 1.3 19 83 A L + 0 0 4 -2,-0.4 113,-0.3 111,-0.2 112,-0.1 0.639 57.3 116.5 -94.7 -12.9 26.5 44.8 4.8 20 84 A N S S- 0 0 3 1,-0.1 2,-1.9 111,-0.1 -2,-0.1 -0.179 81.0-105.3 -45.9 135.4 25.1 41.3 5.1 21 85 A I + 0 0 11 4,-0.1 2,-0.2 769,-0.1 -1,-0.1 -0.536 49.4 166.7 -82.1 79.6 27.0 39.5 7.8 22 86 A C - 0 0 29 -2,-1.9 5,-0.1 -4,-0.2 175,-0.1 -0.602 43.4-106.5 -63.3 155.0 29.4 37.2 6.0 23 87 A W S S+ 0 0 43 173,-0.6 2,-0.2 1,-0.3 -2,-0.0 -0.991 110.6 29.2-148.5 133.5 31.8 36.1 8.8 24 88 A P S S- 0 0 1 0, 0.0 -1,-0.3 0, 0.0 176,-0.1 0.668 117.0-113.4 -49.0 141.5 34.6 36.9 9.1 25 89 A Q - 0 0 1 574,-0.3 576,-0.3 -2,-0.2 579,-0.3 -0.358 21.2-143.1 -58.9 128.9 32.9 39.9 7.4 26 90 A G - 0 0 3 1,-0.1 -1,-0.2 574,-0.1 3,-0.2 0.859 14.2-165.4 -67.4 -32.9 34.6 40.1 4.0 27 91 A S - 0 0 1 -9,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.865 21.5-179.6 48.3 43.5 34.6 43.9 4.0 28 92 A C - 0 0 11 -10,-0.1 2,-0.5 580,-0.1 -10,-0.2 -0.637 23.2-136.7 -80.4 124.5 35.4 43.5 0.3 29 93 A K - 0 0 10 -2,-0.4 16,-2.7 -3,-0.2 17,-0.6 -0.703 28.2-175.3 -84.4 123.0 35.8 46.8 -1.6 30 94 A F E -AB 16 44A 1 -14,-3.1 -14,-2.4 -2,-0.5 2,-0.5 -0.888 30.5-125.3-116.7 153.3 34.1 46.9 -4.9 31 95 A Y E -AB 15 43A 12 12,-3.6 12,-2.1 -2,-0.3 2,-0.6 -0.833 28.2-152.0 -84.9 127.0 33.8 49.2 -7.8 32 96 A V E -AB 14 42A 0 -18,-3.0 -18,-2.0 -2,-0.5 2,-0.6 -0.953 8.1-151.5-105.6 116.8 30.1 49.7 -8.4 33 97 A Y E -AB 13 41A 0 8,-3.2 7,-2.5 -2,-0.6 8,-1.2 -0.816 12.5-168.4-100.0 118.3 29.5 50.5 -12.0 34 98 A V E +AB 12 39A 6 -22,-2.8 -23,-2.5 -2,-0.6 -22,-1.8 -0.880 11.2 167.2-108.3 134.6 26.5 52.7 -12.7 35 99 A R E > + B 0 38A 49 3,-2.7 3,-1.8 -2,-0.4 -25,-0.0 -0.994 66.7 4.4-146.4 148.4 24.9 53.3 -16.1 36 100 A N T 3 S- 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.883 130.5 -60.4 51.8 39.5 21.7 54.8 -17.2 37 101 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.623 118.8 101.4 68.1 17.4 21.0 55.5 -13.5 38 102 A I E < S-B 35 0A 76 -3,-1.8 -3,-2.7 576,-0.1 2,-0.9 -0.940 82.6-105.5-131.7 147.0 21.2 51.8 -12.5 39 103 A V E +B 34 0A 2 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.661 38.5 178.1 -71.1 109.7 23.8 49.6 -10.9 40 104 A W E - 0 0 25 -7,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.936 56.0 -37.2 -79.2 -50.9 25.0 47.6 -13.9 41 105 A R E -B 33 0A 1 -8,-1.2 -8,-3.2 29,-0.1 -1,-0.3 -0.955 50.1-132.5-162.7 175.1 27.7 45.4 -12.2 42 106 A E E -B 32 0A 1 25,-0.4 2,-0.3 -2,-0.3 -10,-0.2 -0.923 14.5-173.3-135.1 160.3 30.4 45.4 -9.6 43 107 A E E -B 31 0A 0 -12,-2.1 -12,-3.6 -2,-0.3 19,-0.1 -0.964 34.6 -95.0-155.1 146.9 33.9 44.2 -9.4 44 108 A Q E -B 30 0A 0 -2,-0.3 -14,-0.3 -14,-0.2 17,-0.1 -0.255 19.8-150.0 -62.5 137.8 36.6 43.9 -6.7 45 109 A A - 0 0 0 -16,-2.7 -1,-0.1 15,-0.1 -15,-0.1 0.861 20.1-154.1 -73.7 -34.3 39.0 46.8 -6.4 46 110 A A + 0 0 14 14,-0.6 13,-0.1 -17,-0.6 15,-0.1 0.972 47.7 133.7 57.6 57.4 41.7 44.4 -5.2 47 111 A Q + 0 0 75 13,-0.2 -1,-0.1 -18,-0.1 656,-0.1 -0.237 25.3 114.1-130.9 42.6 43.5 47.1 -3.3 48 112 A T - 0 0 2 -19,-0.1 10,-2.2 656,-0.0 11,-0.5 -0.858 52.2-158.5-119.0 92.4 44.2 45.4 0.1 49 113 A P - 0 0 82 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.124 23.7 -91.9 -65.5 165.3 48.0 44.9 0.5 50 114 A A - 0 0 28 5,-0.2 7,-0.2 7,-0.1 3,-0.1 -0.346 35.1-111.3 -66.4 160.8 49.8 42.4 2.7 51 115 A C S S- 0 0 17 5,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.845 95.8 -17.3 -61.4 -36.8 50.8 43.4 6.2 52 116 A N S > S- 0 0 52 4,-0.1 3,-2.2 0, 0.0 -1,-0.2 -0.953 82.8 -80.1-159.8 179.0 54.4 43.3 5.0 53 117 A V T 3 S+ 0 0 104 1,-0.3 4,-0.1 -2,-0.3 1180,-0.1 0.699 120.2 57.4 -58.6 -27.9 56.6 42.0 2.2 54 118 A D T 3 S+ 0 0 118 2,-0.1 -1,-0.3 1179,-0.0 2,-0.2 0.538 99.3 71.3 -80.2 -10.6 56.8 38.5 3.5 55 119 A Y S < S- 0 0 31 -3,-2.2 2,-0.3 1178,-0.0 -5,-0.2 -0.675 84.2-104.9-110.2 163.8 53.1 37.9 3.6 56 120 A V - 0 0 5 -2,-0.2 -5,-0.3 122,-0.1 1178,-0.2 -0.620 38.3-120.6 -82.1 141.3 50.4 37.3 1.0 57 121 A D - 0 0 12 1176,-2.7 -7,-0.1 -2,-0.3 -1,-0.1 -0.091 17.1-117.3 -73.7 176.2 48.0 40.2 0.3 58 122 A Y + 0 0 2 -10,-2.2 3,-0.5 2,-0.1 -1,-0.1 0.366 57.9 172.1 -96.3 3.6 44.3 40.0 0.7 59 123 A N + 0 0 13 -11,-0.5 -2,-0.0 1,-0.3 3,-0.0 -0.336 49.9 0.5 -75.3 150.9 43.5 40.5 -3.0 60 124 A P S S- 0 0 1 0, 0.0 -14,-0.6 0, 0.0 -1,-0.3 -0.995 76.8-179.7 -88.1 -3.6 41.1 40.4 -4.7 61 125 A L + 0 0 3 -3,-0.5 -17,-0.1 138,-0.4 -34,-0.1 -0.195 29.5 103.8 65.5-169.3 38.6 39.6 -1.9 62 126 A G - 0 0 1 -36,-0.1 2,-0.3 1067,-0.1 -1,-0.1 -0.096 48.1-134.6 93.0 169.0 35.0 39.1 -2.9 63 127 A C > - 0 0 17 868,-0.1 4,-2.5 867,-0.1 5,-0.1 -0.937 33.2 -94.6-155.4 177.9 32.6 36.3 -3.4 64 128 A Q T 4 S+ 0 0 3 865,-0.3 4,-0.3 -2,-0.3 866,-0.1 0.815 120.9 51.1 -75.1 -27.4 29.9 35.2 -5.9 65 129 A K T >4 S+ 0 0 1 722,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.961 115.4 42.4 -71.7 -49.4 27.0 36.8 -4.0 66 130 A G G >4 S+ 0 0 2 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.869 111.1 55.6 -59.4 -41.7 28.8 40.1 -3.7 67 131 A S G 3< S+ 0 0 1 -4,-2.5 -25,-0.4 1,-0.2 -1,-0.2 0.473 115.9 37.9 -76.0 -3.9 30.0 40.0 -7.3 68 132 A A G X S+ 0 0 0 -3,-1.1 3,-2.1 -4,-0.3 4,-0.5 0.147 78.3 117.4-127.0 16.8 26.4 39.6 -8.5 69 133 A F T X> + 0 0 0 -3,-1.2 4,-1.6 1,-0.3 3,-1.0 0.780 59.4 75.8 -64.1 -24.4 24.6 41.9 -6.1 70 134 A N H 3> S+ 0 0 5 1,-0.3 4,-0.7 -4,-0.2 -1,-0.3 0.841 91.2 59.5 -51.9 -28.6 23.4 44.2 -8.8 71 135 A N H <4 S+ 0 0 20 -3,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.844 99.6 54.8 -72.7 -31.0 20.9 41.4 -9.5 72 136 A N H X4 S+ 0 0 0 -3,-1.0 3,-1.3 -4,-0.5 -1,-0.2 0.898 101.8 58.2 -63.2 -42.5 19.5 41.7 -6.0 73 137 A L H 3< S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.725 116.9 32.2 -64.0 -22.6 18.9 45.4 -6.5 74 138 A Y T 3< S+ 0 0 93 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.258 96.3 121.7-118.2 19.6 16.6 44.8 -9.5 75 139 A G S X S- 0 0 16 -3,-1.3 3,-1.8 -4,-0.2 722,-0.1 -0.404 71.3-121.2 -90.1 156.1 15.2 41.5 -8.4 76 140 A D T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.1 721,-0.1 0.443 103.4 77.8 -74.0 -0.1 11.5 40.6 -7.8 77 141 A E T 3 S+ 0 0 1 -5,-0.1 498,-1.9 719,-0.1 -1,-0.3 0.578 75.3 108.5 -77.6 -9.9 12.3 39.7 -4.2 78 142 A R B < -C 574 0B 13 -3,-1.8 2,-0.5 496,-0.2 496,-0.3 -0.488 59.7-149.9 -80.5 138.9 12.3 43.4 -3.4 79 143 A V + 0 0 1 494,-1.4 509,-0.3 -2,-0.2 -2,-0.1 -0.903 23.1 168.0 -97.0 124.8 9.7 45.3 -1.4 80 144 A K + 0 0 96 -2,-0.5 539,-3.5 1,-0.2 -1,-0.1 0.475 58.3 43.3-118.4 -10.6 9.7 48.8 -2.7 81 145 A Y S S- 0 0 79 537,-0.2 -1,-0.2 538,-0.1 17,-0.1 -0.977 93.4 -91.7-138.2 149.9 6.5 50.2 -1.1 82 146 A P - 0 0 0 0, 0.0 15,-2.3 0, 0.0 2,-0.4 -0.423 46.6-157.5 -62.2 134.4 5.0 50.0 2.3 83 147 A L E -DE 96 585C 19 502,-2.6 502,-2.6 13,-0.2 2,-0.4 -0.940 9.4-159.5-117.6 142.6 2.6 47.1 2.4 84 148 A K E -DE 95 584C 47 11,-3.2 11,-1.8 -2,-0.4 500,-0.2 -0.968 29.6-106.8-121.4 134.9 -0.2 46.4 4.7 85 149 A R E +D 94 0C 90 498,-2.5 9,-0.2 -2,-0.4 4,-0.1 -0.292 33.8 174.9 -60.6 135.2 -1.7 43.0 5.3 86 150 A V + 0 0 83 7,-2.9 8,-0.2 2,-0.2 -1,-0.1 0.757 66.1 28.5-107.7 -43.2 -5.1 42.4 3.8 87 151 A G S S- 0 0 13 6,-1.0 2,-0.1 1,-0.3 3,-0.1 0.143 110.3 -46.9 -94.5-146.9 -5.8 38.7 4.6 88 152 A K S > S- 0 0 158 1,-0.1 3,-2.1 -3,-0.0 5,-0.4 -0.428 79.3 -74.8 -77.2 161.7 -4.6 36.6 7.5 89 153 A R T 3 S+ 0 0 56 1,-0.3 492,-0.2 2,-0.1 -1,-0.1 -0.436 123.1 13.3 -58.6 127.1 -1.0 36.7 8.5 90 154 A G T 3 S+ 0 0 1 490,-1.6 -1,-0.3 492,-0.3 491,-0.2 0.456 91.1 115.5 87.1 0.3 1.0 34.7 5.9 91 155 A E S < S- 0 0 61 -3,-2.1 915,-2.1 2,-0.1 -2,-0.1 0.664 80.2-122.9 -78.1 -19.4 -1.9 34.5 3.4 92 156 A G + 0 0 2 488,-0.4 912,-2.1 -4,-0.3 2,-0.5 0.797 66.4 133.0 82.4 30.4 0.0 36.6 0.8 93 157 A K + 0 0 93 -5,-0.4 -7,-2.9 910,-0.2 -6,-1.0 -0.967 28.2 161.5-115.5 113.8 -2.6 39.3 0.4 94 158 A W E -D 85 0C 40 -2,-0.5 2,-0.3 908,-0.3 -9,-0.2 -0.901 24.4-161.3-131.4 154.1 -1.1 42.8 0.6 95 159 A K E -D 84 0C 107 -11,-1.8 -11,-3.2 -2,-0.3 2,-0.3 -0.987 28.2-114.0-132.5 147.3 -1.9 46.4 -0.3 96 160 A R E +D 83 0C 146 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.601 39.0 173.4 -72.0 139.5 0.3 49.3 -0.8 97 161 A V - 0 0 12 -15,-2.3 2,-0.1 -2,-0.3 0, 0.0 -0.883 34.9 -89.8-135.1 173.6 -0.1 52.1 1.7 98 162 A S > - 0 0 58 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.400 31.5-116.6 -79.3 157.4 1.8 55.3 2.4 99 163 A W H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.866 118.3 59.3 -56.1 -36.5 4.7 55.5 4.8 100 164 A D H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 108.7 40.6 -60.2 -47.8 2.5 57.9 6.8 101 165 A E H > S+ 0 0 72 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.949 118.9 47.0 -64.1 -47.7 -0.3 55.3 7.2 102 166 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.940 115.5 42.9 -64.6 -49.7 2.2 52.4 7.9 103 167 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.865 113.6 55.5 -64.4 -35.0 4.4 54.4 10.4 104 168 A G H X S+ 0 0 8 -4,-1.7 4,-2.6 -5,-0.4 -2,-0.2 0.906 107.5 47.0 -62.4 -44.7 1.2 55.6 12.0 105 169 A D H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.902 113.2 50.0 -65.7 -40.3 -0.2 52.1 12.5 106 170 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 111.3 48.1 -61.9 -45.9 3.1 51.1 14.0 107 171 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.893 110.1 51.7 -63.0 -44.0 3.2 54.1 16.3 108 172 A D H X S+ 0 0 34 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.887 109.0 50.3 -59.1 -40.6 -0.4 53.5 17.5 109 173 A S H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 110.9 49.8 -67.4 -37.1 0.4 49.9 18.3 110 174 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.947 113.8 45.7 -60.1 -50.3 3.5 51.0 20.3 111 175 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.940 110.0 54.1 -57.2 -49.9 1.4 53.5 22.2 112 176 A D H X S+ 0 0 69 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.930 113.4 42.0 -54.0 -46.2 -1.4 51.0 22.8 113 177 A S H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.913 113.2 51.7 -73.6 -38.8 1.0 48.5 24.4 114 178 A F H X S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.2 533,-0.4 0.910 112.2 47.4 -62.1 -42.3 2.9 51.0 26.4 115 179 A E H < S+ 0 0 88 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.900 115.2 46.1 -64.4 -42.5 -0.4 52.4 27.8 116 180 A A H < S- 0 0 80 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.876 140.5 -10.3 -67.3 -36.1 -1.6 48.9 28.6 117 181 A Q H >< S- 0 0 30 -4,-2.5 3,-0.5 1,-0.3 -3,-0.2 0.253 93.9-106.3-156.4 14.9 1.6 47.5 30.3 118 182 A G G >< - 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