==== 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 25-APR-03 1P5B . COMPND 2 MOLECULE: L(+)-MANDELATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR N.SUKUMAR,B.MITRA,F.S.MATHEWS . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.9 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 . 24 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 32.6 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 0 2 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 . 3 0 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 0 163 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 111.9 94.3 73.3 8.9 2 5 A L + 0 0 55 1,-0.1 3,-0.1 6,-0.0 4,-0.0 -0.732 360.0 129.4-126.6 81.1 91.9 72.6 11.8 3 6 A F S S+ 0 0 145 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.488 70.7 10.6-112.4 -7.3 94.0 72.4 14.9 4 7 A N S > S- 0 0 31 -3,-0.1 4,-1.1 1,-0.1 3,-0.3 -0.928 86.3 -85.5-157.5 178.9 92.2 74.7 17.3 5 8 A V H >> S+ 0 0 6 280,-0.4 4,-1.9 -2,-0.3 3,-0.5 0.887 120.9 58.1 -62.2 -41.1 88.9 76.6 17.8 6 9 A E H 3> S+ 0 0 84 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.862 100.6 57.6 -58.3 -37.2 90.1 79.7 15.9 7 10 A D H 3> S+ 0 0 26 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.875 107.6 47.6 -62.4 -35.7 90.7 77.5 12.8 8 11 A Y H > - 0 0 83 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.442 38.3-112.7 -66.1 148.7 76.4 83.9 4.8 18 21 A K H 3> S+ 0 0 138 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 116.2 55.5 -49.5 -46.9 77.7 87.2 6.2 19 22 A M H 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 111.9 43.3 -54.1 -43.2 74.4 88.0 7.9 20 23 A V H <> S+ 0 0 14 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.901 112.1 51.5 -72.8 -42.9 74.5 84.6 9.8 21 24 A Y H X S+ 0 0 14 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.916 111.2 49.3 -60.8 -41.4 78.2 84.8 10.7 22 25 A D H X S+ 0 0 8 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.870 107.7 53.6 -65.6 -36.6 77.6 88.3 12.1 23 26 A Y H < S+ 0 0 26 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.917 116.7 40.2 -61.2 -42.0 74.6 87.0 14.1 24 27 A L H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.943 125.4 32.0 -71.2 -52.5 76.9 84.4 15.5 25 28 A E H < S+ 0 0 39 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.784 95.2 105.5 -80.8 -30.7 80.1 86.4 16.1 26 29 A G < - 0 0 1 -4,-2.3 2,-0.2 -5,-0.3 136,-0.1 0.014 46.9-165.1 -56.3 155.9 78.7 89.8 16.9 27 30 A G - 0 0 1 2,-0.2 137,-0.4 134,-0.1 136,-0.4 -0.721 35.7 -67.2-129.0 179.9 78.6 91.5 20.2 28 31 A A S > S- 0 0 1 226,-2.7 3,-2.5 -2,-0.2 5,-0.4 -0.456 86.3 -43.6 -74.8 144.5 76.8 94.4 21.7 29 32 A E T 3 S+ 0 0 90 132,-3.0 134,-0.2 1,-0.3 -2,-0.2 -0.028 131.6 6.0 39.1-114.1 77.6 98.0 20.6 30 33 A D T 3 S- 0 0 95 1,-0.1 -1,-0.3 133,-0.0 -2,-0.1 0.545 90.8-127.8 -76.8 -5.2 81.4 98.5 20.3 31 34 A E <> + 0 0 43 -3,-2.5 4,-1.1 223,-0.1 -2,-0.1 0.787 69.4 132.4 62.8 29.1 82.2 94.9 21.0 32 35 A Y H > + 0 0 153 -4,-0.3 4,-2.5 2,-0.2 5,-0.1 0.775 68.8 61.0 -75.3 -26.6 84.7 95.9 23.7 33 36 A G H > S+ 0 0 1 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.942 101.5 46.0 -66.0 -51.5 82.9 93.3 25.7 34 37 A V H > S+ 0 0 29 220,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.897 115.1 50.1 -60.3 -36.0 83.7 90.3 23.6 35 38 A K H X S+ 0 0 113 -4,-1.1 4,-3.0 1,-0.2 3,-0.5 0.926 110.5 48.4 -67.3 -43.4 87.3 91.5 23.4 36 39 A H H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.874 104.5 60.8 -62.8 -37.1 87.5 91.9 27.1 37 40 A N H < S+ 0 0 3 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.831 113.3 37.5 -59.0 -33.8 86.1 88.4 27.5 38 41 A R H >< S+ 0 0 77 -4,-1.1 3,-1.2 -3,-0.5 4,-0.3 0.914 116.0 51.2 -82.4 -48.7 89.1 87.1 25.6 39 42 A D H >< S+ 0 0 71 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.811 94.5 71.0 -61.0 -33.2 91.7 89.5 27.1 40 43 A V G >< S+ 0 0 7 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.787 85.9 67.5 -58.5 -26.8 90.8 88.8 30.7 41 44 A F G X S+ 0 0 0 -3,-1.2 3,-1.3 1,-0.3 -1,-0.3 0.767 88.3 66.7 -65.8 -21.4 92.3 85.3 30.5 42 45 A Q G < S+ 0 0 95 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.495 78.9 82.1 -77.4 -0.7 95.7 86.9 30.2 43 46 A Q G < S+ 0 0 107 -3,-1.9 310,-3.5 -4,-0.2 2,-0.4 0.539 94.7 51.4 -77.6 -7.0 95.4 88.2 33.7 44 47 A W E < -A 352 0A 27 -3,-1.3 2,-0.3 308,-0.2 308,-0.2 -0.990 63.5-177.9-133.0 141.1 96.5 84.7 34.8 45 48 A R E -A 351 0A 146 306,-2.2 306,-2.6 -2,-0.4 2,-0.3 -0.876 31.5 -99.7-129.3 163.8 99.5 82.6 33.8 46 49 A F E -A 350 0A 59 -2,-0.3 304,-0.2 304,-0.2 303,-0.1 -0.640 17.3-166.1 -92.3 145.5 100.5 79.1 34.9 47 50 A K - 0 0 116 302,-2.5 290,-0.0 -2,-0.3 303,-0.0 -0.858 28.2-150.2-124.2 86.2 103.0 78.0 37.5 48 51 A P - 0 0 49 0, 0.0 2,-0.6 0, 0.0 290,-0.2 -0.173 9.1-130.8 -57.9 151.4 103.5 74.3 36.7 49 52 A K - 0 0 64 288,-2.2 3,-0.4 3,-0.0 2,-0.1 -0.948 31.7-150.0-106.1 114.3 104.3 71.8 39.4 50 53 A R + 0 0 175 -2,-0.6 3,-0.1 1,-0.2 287,-0.0 -0.379 66.3 29.9 -86.1 164.8 107.2 69.7 38.1 51 54 A L S S+ 0 0 187 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.835 80.1 140.8 56.5 38.0 108.2 66.1 38.7 52 55 A V - 0 0 58 -3,-0.4 2,-0.8 283,-0.2 -1,-0.2 -0.907 62.4-111.5-107.5 136.0 104.7 65.0 39.3 53 56 A D + 0 0 111 -2,-0.4 3,-0.2 1,-0.2 -3,-0.0 -0.579 47.5 161.7 -69.2 106.9 103.6 61.7 37.9 54 57 A V + 0 0 33 -2,-0.8 -1,-0.2 1,-0.1 3,-0.1 -0.005 37.9 111.2-116.3 28.0 101.2 62.6 35.2 55 58 A S S S+ 0 0 75 1,-0.2 2,-0.5 280,-0.0 -1,-0.1 0.750 81.8 44.7 -71.7 -24.2 101.3 59.3 33.3 56 59 A R S S+ 0 0 200 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.952 78.4 177.4-124.4 109.0 97.7 58.6 34.4 57 60 A R - 0 0 98 -2,-0.5 2,-0.4 -3,-0.1 284,-0.2 -0.832 13.2-160.1-115.8 152.3 95.4 61.6 34.0 58 61 A S B +b 341 0B 40 282,-2.7 284,-2.8 -2,-0.3 285,-0.2 -0.990 19.2 174.9-135.5 128.2 91.7 62.0 34.6 59 62 A L + 0 0 12 -2,-0.4 -1,-0.1 10,-0.2 9,-0.1 0.437 48.5 121.2-104.2 -5.1 89.3 64.7 33.2 60 63 A Q + 0 0 75 10,-0.1 2,-0.3 7,-0.1 283,-0.3 -0.302 37.3 163.1 -60.0 140.0 86.2 63.0 34.8 61 64 A A E -C 68 0C 11 7,-2.0 7,-2.4 9,-0.1 2,-0.4 -0.992 39.0-110.9-159.7 153.7 84.4 65.2 37.2 62 65 A E E -C 67 0C 119 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.742 24.6-168.3 -90.7 134.7 81.1 65.6 38.9 63 66 A V E > S-C 66 0C 2 3,-2.7 3,-1.7 -2,-0.4 237,-0.0 -0.989 82.0 -11.8-123.0 115.8 78.9 68.5 37.8 64 67 A L T 3 S- 0 0 18 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.859 133.2 -54.7 60.4 35.0 76.0 69.1 40.2 65 68 A G T 3 S+ 0 0 53 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.343 118.3 110.3 83.2 -6.4 76.9 65.8 41.8 66 69 A K E < -C 63 0C 83 -3,-1.7 -3,-2.7 -5,-0.0 -1,-0.2 -0.901 67.2-125.7-108.8 124.4 76.7 63.8 38.5 67 70 A R E +C 62 0C 177 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.377 33.0 171.7 -69.2 137.7 79.8 62.5 36.9 68 71 A Q E -C 61 0C 13 -7,-2.4 -7,-2.0 -2,-0.1 32,-0.2 -0.909 46.2 -99.0-139.1 166.1 80.6 63.4 33.3 69 72 A S S S- 0 0 29 30,-1.9 -10,-0.2 -2,-0.3 31,-0.1 0.788 99.9 -7.7 -58.6 -33.9 83.6 62.9 31.0 70 73 A M S S- 0 0 2 29,-0.3 2,-2.2 2,-0.2 -10,-0.1 -0.969 79.6 -93.9-160.0 156.1 85.0 66.4 31.5 71 74 A P S S+ 0 0 4 0, 0.0 230,-2.5 0, 0.0 2,-0.3 -0.181 88.9 103.2 -70.3 45.7 84.0 69.7 33.1 72 75 A L E -d 301 0D 0 -2,-2.2 2,-0.3 228,-0.2 -2,-0.2 -0.877 44.1-177.5-127.0 159.8 82.5 71.0 29.9 73 76 A L E -d 302 0D 0 228,-1.4 230,-2.9 -2,-0.3 2,-0.8 -0.969 33.8-117.2-148.8 154.9 79.0 71.5 28.5 74 77 A I E -de 303 102D 2 27,-2.0 29,-2.2 -2,-0.3 230,-0.2 -0.909 45.4-141.4 -95.9 113.3 77.6 72.8 25.3 75 78 A G - 0 0 3 228,-2.5 2,-0.4 -2,-0.8 30,-0.1 -0.165 24.4 -78.3 -72.3 169.4 75.6 75.8 26.5 76 79 A P + 0 0 15 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.528 52.4 167.9 -73.8 124.3 72.2 77.1 25.3 77 80 A T - 0 0 27 26,-0.4 3,-0.5 -2,-0.4 28,-0.4 -0.999 25.8-131.3-137.7 132.4 72.3 79.0 22.0 78 81 A G S S+ 0 0 16 -2,-0.4 30,-0.2 1,-0.2 100,-0.0 -0.455 79.7 21.5 -85.6 157.7 69.3 80.0 20.0 79 82 A L > + 0 0 13 28,-2.2 3,-2.1 -2,-0.1 4,-0.4 0.807 64.5 157.5 60.6 35.8 68.7 79.5 16.2 80 83 A N G >> + 0 0 2 -3,-0.5 3,-1.5 1,-0.3 4,-1.4 0.794 66.5 68.9 -58.9 -27.9 71.2 76.8 15.9 81 84 A G G 34 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.667 89.3 62.9 -65.9 -16.2 69.4 75.7 12.7 82 85 A A G <4 S+ 0 0 12 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.672 105.5 46.5 -80.5 -17.3 70.5 78.8 11.0 83 86 A L T <4 S- 0 0 8 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.788 132.1 -8.8 -92.9 -33.7 74.1 77.6 11.4 84 87 A W S >< S- 0 0 91 -4,-1.4 3,-1.7 230,-0.1 -1,-0.4 -0.946 86.4 -83.6-163.7 142.4 73.7 74.1 10.2 85 88 A P T 3 S- 0 0 91 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.260 116.2 -0.1 -53.2 131.7 70.7 71.9 9.3 86 89 A K T >> S+ 0 0 159 -5,-0.1 4,-2.1 1,-0.1 3,-0.6 0.867 86.2 167.5 53.7 38.7 69.2 70.3 12.5 87 90 A G H <> + 0 0 0 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.818 66.4 57.3 -51.7 -39.9 71.9 72.1 14.4 88 91 A D H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 110.0 44.5 -60.5 -42.8 70.4 71.5 17.8 89 92 A L H <> S+ 0 0 9 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.881 110.8 54.1 -69.4 -39.2 70.5 67.7 17.2 90 93 A A H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.934 112.1 44.3 -60.3 -46.6 74.0 67.8 15.8 91 94 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.922 113.8 50.4 -63.8 -45.2 75.2 69.6 18.9 92 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.8 46.9 -61.0 -45.2 73.3 67.3 21.3 93 96 A R H X S+ 0 0 101 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.872 112.6 49.8 -67.0 -35.1 74.6 64.2 19.7 94 97 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.923 111.4 48.6 -68.3 -43.7 78.2 65.5 19.7 95 98 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.7 0.930 112.2 49.6 -60.7 -44.7 77.9 66.4 23.4 96 99 A T H ><5S+ 0 0 40 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.899 109.0 51.1 -62.7 -41.0 76.5 63.0 24.1 97 100 A K H 3<5S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.5 49.2 -65.2 -30.3 79.3 61.2 22.2 98 101 A A H 3<5S- 0 0 22 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.551 116.9-115.6 -84.7 -9.2 81.8 63.3 24.3 99 102 A G T <<5S+ 0 0 27 -3,-0.8 -30,-1.9 -4,-0.7 -29,-0.3 0.745 76.1 113.9 82.1 24.3 80.0 62.4 27.5 100 103 A I < - 0 0 4 -5,-2.6 -1,-0.3 -32,-0.2 22,-0.2 -0.883 67.9 -94.9-126.7 158.8 78.9 65.9 28.4 101 104 A P - 0 0 2 0, 0.0 -27,-2.0 0, 0.0 2,-0.4 -0.256 26.5-148.9 -70.1 157.3 75.5 67.6 28.8 102 105 A F E -ef 74 123D 1 20,-1.9 22,-2.9 -29,-0.2 2,-0.6 -0.990 8.2-146.8-125.6 134.6 73.8 69.7 26.1 103 106 A V E - f 0 124D 1 -29,-2.2 -26,-0.4 -2,-0.4 2,-0.3 -0.917 10.1-145.7-108.8 118.3 71.6 72.6 27.0 104 107 A L E - f 0 125D 0 20,-2.9 22,-3.2 -2,-0.6 2,-0.2 -0.650 16.9-130.6 -82.9 133.9 68.6 73.3 24.7 105 108 A S > - 0 0 2 -28,-0.4 3,-1.5 -2,-0.3 22,-0.1 -0.499 12.6-128.1 -82.0 150.6 67.6 76.9 24.2 106 109 A T T 3 S+ 0 0 1 1,-0.3 74,-0.3 20,-0.2 -1,-0.1 0.821 116.0 53.0 -64.2 -27.6 64.1 78.2 24.5 107 110 A A T 3 S+ 0 0 22 72,-0.1 -28,-2.2 73,-0.1 -1,-0.3 -0.081 85.0 137.2 -98.0 32.3 64.7 79.7 21.1 108 111 A S < - 0 0 0 -3,-1.5 71,-0.6 -30,-0.2 72,-0.5 -0.280 57.8-135.3 -74.2 164.2 65.9 76.4 19.6 109 112 A N S S+ 0 0 24 69,-0.2 2,-0.4 70,-0.1 -1,-0.1 0.458 91.9 61.6 -99.2 -3.4 64.8 75.2 16.1 110 113 A M S S- 0 0 26 -24,-0.0 70,-0.1 68,-0.0 -2,-0.1 -0.984 93.7-112.3-122.3 133.3 64.0 71.7 17.4 111 114 A S > - 0 0 6 -2,-0.4 4,-2.4 68,-0.1 5,-0.2 -0.174 19.8-114.2 -66.6 157.4 61.4 71.2 20.0 112 115 A I H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.912 118.1 44.8 -52.2 -48.0 62.0 70.0 23.6 113 116 A E H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 110.6 51.6 -66.4 -48.0 60.1 66.8 22.8 114 117 A D H > S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.878 110.8 48.5 -60.4 -39.3 61.7 66.0 19.5 115 118 A L H >X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.6 0.934 109.8 51.5 -66.8 -44.9 65.2 66.4 20.9 116 119 A A H 3< S+ 0 0 26 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.816 110.2 50.7 -60.6 -31.7 64.4 64.1 23.8 117 120 A R H 3< S+ 0 0 165 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.746 116.7 39.6 -78.8 -23.8 63.1 61.5 21.5 118 121 A Q H << S+ 0 0 61 -4,-1.1 2,-0.4 -3,-0.6 -2,-0.2 0.396 114.8 50.0-107.6 2.2 66.2 61.6 19.2 119 122 A C < - 0 0 12 -4,-1.1 -1,-0.2 -3,-0.2 4,-0.1 -0.970 50.5-170.2-145.5 126.9 68.9 61.9 21.8 120 123 A D + 0 0 152 -2,-0.4 -4,-0.1 -3,-0.1 -1,-0.0 0.154 56.0 107.9-100.2 17.8 69.6 59.8 25.0 121 124 A G S S- 0 0 23 1,-0.1 2,-1.1 -29,-0.0 -2,-0.1 -0.049 89.5 -68.7 -81.8-170.7 72.3 62.0 26.4 122 125 A D - 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0 0 179 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.923 35.6-148.5 53.8 43.3 68.7 94.0 8.9 170 173 A F < - 0 0 32 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.153 21.0-175.7 -48.6 127.7 69.1 90.5 10.4 171 174 A K - 0 0 151 -3,-0.1 -1,-0.0 0, 0.0 -152,-0.0 -0.998 36.8 -99.2-131.5 131.5 65.9 88.5 10.1 172 175 A I - 0 0 70 -2,-0.4 4,-0.1 1,-0.1 -93,-0.0 -0.250 57.4 -92.8 -49.0 123.3 65.4 85.0 11.5 173 176 A P > - 0 0 15 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.104 30.5-131.3 -42.7 128.0 65.9 82.6 8.5 174 177 A P T 3 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.777 106.9 57.3 -55.2 -30.7 62.5 82.0 6.9 175 178 A F T 3 S+ 0 0 149 2,-0.0 2,-0.3 -94,-0.0 -3,-0.0 0.457 98.1 84.8 -81.9 1.2 63.1 78.2 6.9 176 179 A L < - 0 0 22 -3,-2.3 2,-0.3 -4,-0.1 -67,-0.1 -0.693 57.4-171.9-103.9 157.2 63.6 78.4 10.6 177 180 A T - 0 0 66 -2,-0.3 2,-2.3 -68,-0.1 3,-0.1 -0.998 35.8-120.5-149.5 142.2 61.0 78.3 13.4 178 181 A L > - 0 0 63 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.576 40.0-174.2 -80.5 77.3 60.9 78.8 17.2 179 182 A K G > S+ 0 0 49 -2,-2.3 3,-1.7 -71,-0.6 -1,-0.2 0.746 71.0 65.9 -46.0 -37.3 59.6 75.3 17.5 180 183 A N G 3 S+ 0 0 16 -72,-0.5 -1,-0.3 -74,-0.3 -73,-0.1 0.659 101.4 50.0 -66.6 -13.9 59.0 75.5 21.3 181 184 A F G X S+ 0 0 44 -3,-2.3 3,-1.2 -75,-0.1 -1,-0.3 0.332 85.2 122.9-103.1 4.7 56.3 78.1 20.7 182 185 A E T < S+ 0 0 119 -3,-1.7 -3,-0.0 1,-0.2 -5,-0.0 -0.426 75.2 11.8 -70.2 137.6 54.6 75.9 18.1 183 186 A G T 3 S+ 0 0 72 1,-0.1 2,-1.0 -2,-0.1 -1,-0.2 0.661 72.5 147.2 71.9 17.5 50.9 75.0 18.7 184 187 A I < - 0 0 31 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 -0.021 59.8-122.3 -76.3 37.0 50.5 77.5 21.6 185 188 A D - 0 0 87 -2,-1.0 2,-0.3 2,-0.0 -1,-0.2 0.450 33.1-165.2 43.0 171.9 46.9 77.8 20.4 186 189 A L + 0 0 129 -3,-0.1 2,-1.0 3,-0.0 3,-0.1 -0.885 60.1 72.3-166.3-170.9 45.0 80.9 19.2 187 190 A G + 0 0 41 1,-0.3 -2,-0.0 -2,-0.3 7,-0.0 -0.027 69.0 126.7 77.0 -37.8 41.4 81.9 18.6 188 191 A K - 0 0 119 -2,-1.0 2,-0.5 1,-0.1 -1,-0.3 -0.318 49.2-156.7 -53.2 127.6 41.0 81.8 22.3 189 192 A M + 0 0 160 -3,-0.1 2,-0.2 5,-0.0 5,-0.1 -0.946 44.0 69.3-121.3 116.8 39.5 85.2 23.3 190 193 A D S S- 0 0 84 -2,-0.5 5,-0.3 3,-0.3 -2,-0.0 -0.808 95.0 -52.2 158.6 165.9 39.9 86.6 26.8 191 194 A K S > S+ 0 0 60 -2,-0.2 4,-2.9 3,-0.2 5,-0.4 0.782 126.3 37.6 -23.4 -84.5 42.5 88.1 29.1 192 195 A A T 4 S+ 0 0 31 1,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.487 113.4 45.4 -72.4 152.7 45.0 85.2 28.8 193 196 A N T 4 S+ 0 0 23 -2,-0.1 -3,-0.3 -4,-0.1 -1,-0.2 0.784 124.3 43.9 77.8 29.1 45.1 83.8 25.3 194 197 A L T > S+ 0 0 85 -3,-0.4 4,-2.0 -5,-0.1 -2,-0.2 0.067 113.2 43.7-163.6 -52.2 45.2 87.5 24.4 195 198 A E H X S+ 0 0 134 -4,-2.9 4,-0.9 -5,-0.3 -3,-0.2 0.737 122.8 45.5 -74.3 -23.8 47.7 88.9 26.8 196 199 A M H > S+ 0 0 3 -5,-0.4 4,-2.3 2,-0.2 5,-0.2 0.907 110.3 49.8 -82.3 -50.0 49.7 85.8 25.9 197 200 A Q H > S+ 0 0 28 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.883 113.1 49.0 -56.9 -39.5 49.1 86.0 22.2 198 201 A A H < S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.3 53.5 -68.0 -37.9 50.3 89.7 22.4 199 202 A A H >< S+ 0 0 21 -4,-0.9 3,-1.0 1,-0.2 5,-0.4 0.865 109.4 48.3 -64.9 -36.7 53.3 88.6 24.4 200 203 A L H 3< S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 103.5 60.6 -75.3 -25.4 54.3 86.1 21.7 201 204 A M T 3< S+ 0 0 150 -4,-1.2 2,-0.4 -5,-0.2 -1,-0.3 0.149 98.7 77.2 -86.8 19.7 53.9 88.7 19.0 202 205 A S S < S- 0 0 43 -3,-1.0 2,-0.4 2,-0.1 -4,-0.0 -0.998 74.6-144.0-133.3 130.4 56.6 90.6 20.8 203 206 A R S S+ 0 0 199 -2,-0.4 2,-0.4 2,-0.0 -44,-0.1 -0.060 72.4 103.2 -82.4 35.7 60.3 89.9 20.7 204 207 A Q - 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0 0 115 -6,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.929 59.8-158.3-132.0 107.0 75.9 94.7 27.6 258 261 A D T 3 S+ 0 0 6 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.832 92.3 46.8 -54.2 -38.2 79.1 95.7 26.0 259 262 A C T 3 S+ 0 0 114 -227,-0.1 -1,-0.3 -226,-0.0 2,-0.0 0.239 82.1 127.2 -92.6 14.5 80.6 97.2 29.3 260 263 A A < - 0 0 13 -3,-1.9 -9,-0.1 -9,-0.1 -4,-0.0 -0.366 66.0-109.1 -67.0 148.6 79.7 94.2 31.5 261 264 A I - 0 0 55 -30,-0.1 -1,-0.1 1,-0.1 -224,-0.1 -0.290 36.4-102.5 -68.9 164.8 82.5 92.7 33.5 262 265 A S > - 0 0 0 1,-0.1 3,-2.0 -226,-0.1 4,-0.3 -0.713 26.9-123.2 -84.9 144.3 83.7 89.3 32.4 263 266 A P G >> S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.759 109.0 73.0 -60.7 -20.7 82.4 86.6 34.7 264 267 A M G 34 S+ 0 0 4 1,-0.3 3,-0.5 18,-0.2 4,-0.5 0.778 85.2 67.2 -62.8 -24.4 86.0 85.6 35.4 265 268 A E G <4 S+ 0 0 94 -3,-2.0 -1,-0.3 1,-0.2 4,-0.1 0.685 113.0 27.8 -70.2 -19.2 86.3 88.8 37.5 266 269 A V T <> S+ 0 0 17 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.242 92.2 101.7-125.3 12.0 83.9 87.5 40.1 267 270 A L H X S+ 0 0 0 -4,-0.5 4,-2.5 -3,-0.5 5,-0.2 0.968 84.8 42.5 -62.2 -57.5 84.5 83.7 39.8 268 271 A A H > S+ 0 0 52 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.897 116.4 49.9 -57.9 -41.3 86.7 83.2 42.8 269 272 A Q H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 111.0 48.7 -65.5 -39.5 84.5 85.5 44.9 270 273 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.889 110.8 50.7 -67.6 -39.7 81.4 83.6 43.9 271 274 A V H X S+ 0 0 42 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.937 114.5 43.9 -62.3 -47.1 82.9 80.3 44.6 272 275 A A H < S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.887 118.7 42.8 -66.5 -40.8 84.0 81.4 48.1 273 276 A K H < S+ 0 0 92 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.947 119.5 37.1 -74.3 -49.5 80.8 83.1 49.0 274 277 A T H < S- 0 0 14 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.864 76.8-155.4 -74.6 -37.5 78.2 80.7 47.7 275 278 A G < + 0 0 66 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.671 64.4 100.0 68.2 13.9 79.8 77.4 48.6 276 279 A K S S- 0 0 87 -6,-0.3 -1,-0.3 -5,-0.1 -30,-0.1 -0.786 89.7 -59.1-124.5 168.9 77.7 75.9 45.8 277 280 A P - 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