==== 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 04-JAN-01 1HUV . COMPND 2 MOLECULE: L(+)-MANDELATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR F.S.MATHEWS,N.SUKUMAR . 349 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 1 3 2 1 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 4 A N 0 0 167 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 75.5 95.1 73.8 8.9 2 5 A L + 0 0 49 1,-0.1 3,-0.1 6,-0.0 4,-0.0 -0.719 360.0 132.7-119.5 78.9 92.6 73.2 11.7 3 6 A F + 0 0 148 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.505 68.0 9.1-108.5 -6.6 94.8 73.1 14.8 4 7 A N S >> S- 0 0 32 -3,-0.2 4,-1.1 1,-0.1 3,-0.5 -0.947 85.9 -85.8-160.1 175.1 92.9 75.4 17.3 5 8 A V H >> S+ 0 0 8 277,-0.4 4,-2.1 -2,-0.3 3,-0.5 0.883 121.4 58.4 -58.1 -43.3 89.7 77.3 17.7 6 9 A E H 3> S+ 0 0 83 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.853 101.7 56.2 -56.3 -36.9 90.9 80.4 15.8 7 10 A D H <> S+ 0 0 28 -3,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.864 107.9 48.3 -63.7 -36.3 91.5 78.2 12.8 8 11 A Y H > - 0 0 84 0, 0.0 4,-2.7 0, 0.0 3,-1.0 -0.485 39.0-110.6 -67.0 150.2 77.4 84.6 4.6 18 21 A K H 3> S+ 0 0 138 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.846 116.8 54.7 -47.6 -43.6 78.8 87.9 6.0 19 22 A M H 3> S+ 0 0 82 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.821 111.9 43.2 -61.8 -35.3 75.5 88.8 7.7 20 23 A V H <> S+ 0 0 13 -3,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.882 113.7 51.3 -79.1 -40.2 75.3 85.5 9.5 21 24 A Y H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.919 111.3 47.8 -62.0 -43.2 79.0 85.6 10.4 22 25 A D H X S+ 0 0 11 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.886 108.4 54.8 -64.1 -39.7 78.6 89.2 11.8 23 26 A Y H < S+ 0 0 31 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.829 115.5 40.3 -62.2 -32.0 75.6 88.1 13.8 24 27 A L H < S+ 0 0 4 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.918 123.3 34.5 -82.1 -49.7 77.7 85.3 15.4 25 28 A E H < S+ 0 0 39 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.773 97.2 107.6 -78.2 -29.5 81.0 87.1 16.0 26 29 A G < - 0 0 3 -4,-2.3 2,-0.2 -5,-0.3 136,-0.1 0.036 46.4-168.8 -54.5 154.8 79.5 90.5 16.8 27 30 A G - 0 0 1 2,-0.2 137,-0.4 134,-0.1 136,-0.3 -0.720 36.0 -65.4-131.8-177.7 79.3 92.2 20.1 28 31 A A S > S- 0 0 1 223,-2.5 3,-2.4 -2,-0.2 5,-0.4 -0.489 86.0 -44.4 -77.0 144.0 77.6 95.2 21.7 29 32 A E T 3 S+ 0 0 91 132,-2.8 -2,-0.2 1,-0.3 134,-0.2 -0.031 130.7 5.6 38.2-113.6 78.5 98.7 20.5 30 33 A D T 3 S- 0 0 96 1,-0.1 -1,-0.3 133,-0.0 -2,-0.1 0.589 91.0-127.5 -76.1 -6.8 82.3 99.3 20.2 31 34 A E <> + 0 0 40 -3,-2.4 4,-1.3 220,-0.1 -2,-0.1 0.800 69.7 133.3 64.5 29.1 83.0 95.6 20.9 32 35 A Y H > + 0 0 153 -4,-0.3 4,-2.2 2,-0.2 5,-0.1 0.730 68.8 61.9 -76.5 -22.2 85.4 96.7 23.7 33 36 A G H > S+ 0 0 2 -5,-0.4 4,-2.7 2,-0.2 5,-0.2 0.965 101.9 43.7 -68.4 -55.2 83.6 94.0 25.7 34 37 A V H > S+ 0 0 30 217,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.913 115.5 51.8 -57.8 -40.0 84.5 91.0 23.5 35 38 A K H X S+ 0 0 125 -4,-1.3 4,-3.0 1,-0.2 3,-0.4 0.930 110.2 47.3 -61.1 -46.3 88.1 92.3 23.3 36 39 A H H X S+ 0 0 56 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.882 104.9 61.1 -62.2 -39.0 88.2 92.7 27.1 37 40 A N H < S+ 0 0 3 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.860 113.2 37.3 -56.1 -37.0 86.8 89.1 27.5 38 41 A R H >< S+ 0 0 78 -4,-1.5 3,-1.1 -3,-0.4 4,-0.3 0.923 116.1 51.8 -79.5 -49.6 89.9 87.9 25.6 39 42 A D H >< S+ 0 0 75 -4,-3.0 3,-2.0 1,-0.2 4,-0.2 0.822 94.4 70.5 -58.6 -37.1 92.4 90.3 27.2 40 43 A V G >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.793 87.2 66.3 -54.3 -30.6 91.5 89.6 30.8 41 44 A F G X S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.3 -1,-0.3 0.775 88.0 67.4 -64.4 -23.2 93.0 86.1 30.6 42 45 A Q G < S+ 0 0 105 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.547 79.5 81.7 -74.2 -3.3 96.5 87.7 30.1 43 46 A Q G < S+ 0 0 93 -3,-1.9 307,-3.3 -4,-0.2 2,-0.4 0.536 93.4 53.0 -77.2 -4.6 96.2 88.9 33.7 44 47 A W E < -A 349 0A 26 -3,-1.4 2,-0.3 305,-0.2 305,-0.2 -0.984 63.7-177.9-132.8 144.0 97.3 85.4 34.8 45 48 A R E -A 348 0A 142 303,-2.0 303,-2.4 -2,-0.4 2,-0.3 -0.872 30.8 -97.5-132.4 165.4 100.3 83.3 33.9 46 49 A F E -A 347 0A 61 -2,-0.3 301,-0.2 301,-0.2 300,-0.1 -0.668 19.3-171.1 -93.8 142.7 101.4 79.8 34.9 47 50 A K - 0 0 116 299,-2.4 287,-0.0 -2,-0.3 300,-0.0 -0.856 28.4-155.4-123.7 84.6 103.9 78.8 37.5 48 51 A P - 0 0 46 0, 0.0 2,-0.7 0, 0.0 287,-0.2 -0.247 12.7-126.9 -65.2 156.3 104.2 75.1 36.8 49 52 A K - 0 0 73 285,-2.3 3,-0.4 3,-0.0 2,-0.1 -0.925 31.1-149.9-104.1 113.6 105.2 72.5 39.4 50 53 A R + 0 0 171 -2,-0.7 3,-0.1 1,-0.2 283,-0.0 -0.374 67.9 31.7 -84.6 164.4 108.2 70.5 38.0 51 54 A L S S+ 0 0 185 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.820 80.4 139.1 60.0 35.5 109.2 66.9 38.7 52 55 A V - 0 0 60 -3,-0.4 2,-0.8 280,-0.1 -1,-0.3 -0.902 62.1-113.0-108.1 137.5 105.6 65.8 39.3 53 56 A D + 0 0 109 -2,-0.4 3,-0.2 1,-0.1 -3,-0.0 -0.611 46.1 161.6 -72.1 108.2 104.6 62.5 37.8 54 57 A V + 0 0 32 -2,-0.8 -1,-0.1 1,-0.1 3,-0.1 -0.034 36.3 113.7-119.0 30.8 102.1 63.4 35.1 55 58 A S S S+ 0 0 77 1,-0.2 2,-0.5 277,-0.0 -1,-0.1 0.710 81.7 43.5 -72.5 -21.4 102.3 60.1 33.2 56 59 A R S S- 0 0 198 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.943 79.2-179.7-128.5 108.3 98.6 59.4 34.1 57 60 A R - 0 0 100 -2,-0.5 2,-0.4 -3,-0.1 281,-0.2 -0.785 12.4-159.2-112.0 153.5 96.3 62.4 33.8 58 61 A S B +b 338 0B 42 279,-2.5 281,-3.0 -2,-0.3 282,-0.3 -0.984 20.3 173.1-136.7 126.5 92.6 62.8 34.5 59 62 A L + 0 0 12 -2,-0.4 -1,-0.1 10,-0.2 9,-0.1 0.349 48.2 123.5-104.9 -1.3 90.2 65.5 33.2 60 63 A Q + 0 0 81 10,-0.2 2,-0.3 11,-0.1 280,-0.3 -0.304 36.0 161.4 -60.8 144.7 87.2 63.7 34.7 61 64 A A E -C 68 0C 12 7,-2.1 7,-2.0 9,-0.1 2,-0.4 -0.985 39.5-113.3-166.0 152.8 85.2 65.9 37.1 62 65 A E E -C 67 0C 125 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.741 23.6-169.1 -92.5 139.8 81.9 66.3 38.8 63 66 A V E > S-C 66 0C 2 3,-2.0 3,-2.1 -2,-0.4 -2,-0.0 -0.997 82.9 -9.5-127.3 121.0 79.7 69.2 37.9 64 67 A L T 3 S- 0 0 17 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.871 134.5 -55.9 56.2 35.3 76.8 69.8 40.2 65 68 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.360 116.2 113.0 81.4 -4.5 77.8 66.5 41.7 66 69 A K E < -C 63 0C 85 -3,-2.1 -3,-2.0 -5,-0.0 -1,-0.2 -0.892 66.2-124.1-109.0 122.7 77.6 64.5 38.5 67 70 A R E +C 62 0C 176 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.264 34.8 169.9 -62.1 140.4 80.7 63.1 36.9 68 71 A Q E -C 61 0C 14 -7,-2.0 -7,-2.1 -9,-0.1 32,-0.2 -0.927 47.0 -99.4-144.4 166.1 81.5 64.0 33.3 69 72 A S S S- 0 0 48 30,-1.8 -10,-0.2 -2,-0.3 31,-0.1 0.741 100.1 -9.8 -60.2 -30.2 84.5 63.6 30.9 70 73 A M S S- 0 0 1 29,-0.3 2,-2.6 2,-0.2 -1,-0.2 -0.950 79.2 -94.7-165.5 151.8 85.9 67.1 31.4 71 74 A P S S+ 0 0 3 0, 0.0 227,-1.9 0, 0.0 2,-0.3 -0.234 87.5 105.7 -74.4 57.3 84.7 70.3 33.1 72 75 A L E -d 298 0D 0 -2,-2.6 2,-0.3 225,-0.2 -2,-0.2 -0.895 44.1-175.1-130.4 156.7 83.3 71.7 29.8 73 76 A L E -d 299 0D 0 225,-1.3 227,-2.9 -2,-0.3 2,-0.9 -0.981 32.3-119.7-148.2 152.4 79.8 72.2 28.5 74 77 A I E -de 300 102D 2 27,-2.1 29,-2.1 -2,-0.3 227,-0.1 -0.887 45.8-142.9 -94.7 112.9 78.4 73.4 25.2 75 78 A G - 0 0 4 225,-2.3 2,-0.3 -2,-0.9 30,-0.1 -0.171 23.8 -75.1 -74.3 170.6 76.4 76.4 26.4 76 79 A P + 0 0 16 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.495 52.6 165.0 -70.7 121.8 73.0 77.7 25.2 77 80 A T - 0 0 26 26,-0.4 3,-0.4 -2,-0.3 28,-0.4 -0.997 26.1-136.2-136.8 131.5 73.0 79.6 21.9 78 81 A G S S+ 0 0 18 -2,-0.4 30,-0.2 1,-0.2 28,-0.0 -0.463 77.8 25.1 -87.7 161.5 69.9 80.3 19.9 79 82 A L > + 0 0 22 28,-2.0 3,-1.8 -2,-0.1 4,-0.3 0.825 64.6 156.8 59.4 37.3 69.2 80.0 16.2 80 83 A N G >> + 0 0 2 -3,-0.4 3,-1.7 1,-0.3 4,-1.4 0.772 65.3 70.0 -63.1 -24.9 71.9 77.3 15.8 81 84 A G G 34 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.707 88.6 63.7 -65.8 -19.2 70.1 76.2 12.6 82 85 A A G <4 S+ 0 0 18 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.672 104.9 46.0 -77.3 -16.8 71.2 79.4 11.0 83 86 A L T <4 S- 0 0 9 -3,-1.7 -2,-0.2 1,-0.4 -1,-0.2 0.780 132.9 -10.7 -94.7 -30.9 74.8 78.2 11.4 84 87 A W S >< S- 0 0 92 -4,-1.4 3,-1.7 227,-0.1 -1,-0.4 -0.942 87.0 -81.3-166.0 143.2 74.3 74.6 10.1 85 88 A P T 3 S+ 0 0 96 0, 0.0 5,-0.2 0, 0.0 -3,-0.1 -0.270 117.0 0.2 -54.2 132.4 71.3 72.4 9.3 86 89 A K T >> S+ 0 0 149 3,-0.1 4,-2.2 1,-0.1 3,-0.7 0.874 84.5 169.0 53.7 41.2 69.9 70.9 12.5 87 90 A G H <> + 0 0 0 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.847 67.5 58.5 -50.0 -43.0 72.6 72.7 14.3 88 91 A D H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 109.0 44.0 -56.8 -44.1 71.1 72.0 17.7 89 92 A L H <> S+ 0 0 11 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.904 111.4 53.8 -67.8 -44.9 71.3 68.2 17.1 90 93 A A H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 112.3 44.4 -55.6 -48.5 74.8 68.4 15.7 91 94 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.945 114.0 48.9 -62.2 -49.5 76.0 70.2 18.9 92 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.858 112.3 48.8 -59.7 -38.1 74.1 67.9 21.3 93 96 A R H X S+ 0 0 99 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.883 110.7 49.2 -71.7 -37.3 75.5 64.8 19.6 94 97 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.919 112.8 48.4 -66.3 -42.6 79.1 66.1 19.6 95 98 A A H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.8 0.909 111.6 49.9 -62.5 -43.3 78.8 67.0 23.3 96 99 A T H ><5S+ 0 0 50 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.926 109.7 49.7 -62.5 -46.3 77.3 63.5 24.0 97 100 A K H 3<5S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.5 49.8 -61.4 -31.7 80.1 61.7 22.2 98 101 A A H 3<5S- 0 0 24 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.604 116.6-116.7 -82.6 -11.8 82.5 63.9 24.2 99 102 A G T <<5S+ 0 0 30 -3,-1.0 -30,-1.8 -4,-0.8 -29,-0.3 0.757 74.9 112.6 83.3 25.4 80.8 63.0 27.5 100 103 A I < - 0 0 4 -5,-2.7 -1,-0.3 -32,-0.2 -2,-0.2 -0.921 68.1 -95.0-129.4 156.9 79.7 66.5 28.4 101 104 A P - 0 0 2 0, 0.0 -27,-2.1 0, 0.0 2,-0.4 -0.214 26.7-148.7 -68.2 158.4 76.3 68.3 28.7 102 105 A F E -ef 74 123D 1 20,-1.9 22,-2.8 -29,-0.2 2,-0.6 -0.985 8.8-143.9-125.6 136.3 74.6 70.3 26.0 103 106 A V E - f 0 124D 1 -29,-2.1 -26,-0.4 -2,-0.4 2,-0.3 -0.915 10.5-146.7-108.9 118.6 72.3 73.2 26.9 104 107 A L E - f 0 125D 0 20,-2.7 22,-3.1 -2,-0.6 2,-0.2 -0.653 17.5-131.5 -82.9 133.2 69.3 73.8 24.6 105 108 A S > - 0 0 2 -28,-0.4 3,-1.6 -2,-0.3 22,-0.1 -0.521 13.1-126.9 -85.2 151.6 68.3 77.4 24.1 106 109 A T T 3 S+ 0 0 2 1,-0.3 74,-0.3 20,-0.3 -1,-0.1 0.803 116.4 52.3 -62.9 -27.1 64.7 78.7 24.5 107 110 A A T 3 S+ 0 0 18 72,-0.1 -28,-2.0 73,-0.1 -1,-0.3 -0.069 84.8 138.3 -99.3 30.5 65.3 80.1 21.0 108 111 A S < - 0 0 0 -3,-1.6 71,-0.8 -30,-0.2 72,-0.5 -0.253 57.2-135.4 -72.4 163.5 66.5 76.8 19.5 109 112 A N S S+ 0 0 28 69,-0.2 2,-0.4 70,-0.1 68,-0.1 0.558 92.2 62.9 -95.6 -12.2 65.4 75.6 16.1 110 113 A M S S- 0 0 22 68,-0.0 70,-0.2 1,-0.0 -2,-0.1 -0.930 94.0-112.6-112.2 138.5 64.7 72.1 17.4 111 114 A S > - 0 0 20 -2,-0.4 4,-2.1 68,-0.1 5,-0.2 -0.235 21.8-112.3 -69.5 158.4 62.0 71.6 20.0 112 115 A I H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.922 117.6 40.6 -52.8 -52.5 62.7 70.6 23.6 113 116 A E H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 110.7 56.9 -72.4 -30.1 61.0 67.2 23.1 114 117 A D H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.916 108.2 46.9 -68.2 -41.3 62.4 66.5 19.6 115 118 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.941 112.0 50.2 -63.3 -47.6 66.0 66.8 20.8 116 119 A A H < S+ 0 0 21 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.843 109.4 53.0 -58.3 -35.2 65.4 64.6 23.8 117 120 A R H < S+ 0 0 155 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 117.9 36.1 -69.5 -33.2 63.8 62.1 21.4 118 121 A Q H < S+ 0 0 64 -4,-1.6 2,-0.4 -3,-0.3 -2,-0.2 0.405 115.5 50.4-103.7 1.5 66.9 62.1 19.2 119 122 A C < - 0 0 9 -4,-1.3 -1,-0.1 -3,-0.2 4,-0.1 -0.975 50.9-167.9-144.3 128.6 69.8 62.4 21.7 120 123 A D + 0 0 158 -2,-0.4 -4,-0.1 2,-0.1 3,-0.1 0.177 54.8 107.0-100.8 18.5 70.6 60.5 24.9 121 124 A G S S- 0 0 22 1,-0.1 2,-0.8 -29,-0.1 -2,-0.1 -0.100 89.7 -67.1 -82.5-172.6 73.3 62.7 26.4 122 125 A D - 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