==== 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 12-APR-06 2GO1 . COMPND 2 MOLECULE: NAD-DEPENDENT FORMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR E.V.FILIPPOVA,K.M.POLYAKOV,T.V.TIKHONOVA,T.N.STEKHANOVA,K.M. . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0.3 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 . 1 0.3 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 . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 5 0 0 1 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 A 0 0 48 0, 0.0 68,-3.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 159.2 20.7 40.7 41.9 2 2 A K E -a 69 0A 29 87,-0.3 90,-2.2 66,-0.2 89,-1.4 -0.905 360.0-161.6-103.7 125.5 23.9 42.0 40.3 3 3 A V E -ab 70 92A 0 66,-3.8 68,-3.1 -2,-0.6 2,-0.7 -0.909 3.1-164.0-108.7 121.9 24.5 40.9 36.7 4 4 A L E -ab 71 93A 0 88,-3.5 90,-2.3 -2,-0.6 2,-0.6 -0.882 12.4-175.3-106.5 107.2 27.9 41.1 35.2 5 5 A C E -ab 72 94A 0 66,-2.8 68,-1.7 -2,-0.7 2,-0.6 -0.860 10.4-161.7-108.5 111.3 27.8 41.0 31.4 6 6 A V E +ab 73 95A 0 88,-2.6 90,-0.6 -2,-0.6 2,-0.3 -0.805 20.5 165.1 -92.2 124.9 31.0 40.8 29.3 7 7 A L - 0 0 0 66,-1.6 45,-0.2 -2,-0.6 46,-0.1 -0.885 37.6 -97.3-130.9 163.5 30.5 41.7 25.5 8 8 A Y B -f 52 0B 39 43,-1.7 45,-2.3 -2,-0.3 91,-0.1 -0.336 53.2 -82.9 -85.1 165.2 32.9 42.7 22.6 9 9 A D - 0 0 93 43,-0.2 -1,-0.2 65,-0.1 3,-0.1 -0.203 46.5-101.9 -66.6 155.2 33.5 46.3 21.7 10 10 A D - 0 0 42 1,-0.2 5,-0.1 42,-0.1 -1,-0.1 -0.133 60.5 -67.5 -55.6 165.2 31.2 48.2 19.4 11 11 A P > - 0 0 51 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.339 51.6-111.8 -58.0 147.0 32.3 48.6 15.7 12 12 A V T 3 S+ 0 0 159 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.730 119.4 49.9 -58.8 -22.9 35.4 50.9 15.5 13 13 A D T 3 S- 0 0 150 1,-0.3 -1,-0.3 0, 0.0 2,-0.0 -0.005 127.3 -83.1-101.2 27.5 33.4 53.6 13.8 14 14 A G < - 0 0 35 -3,-2.4 -1,-0.3 -4,-0.1 3,-0.1 0.003 58.0 -50.2 97.6 159.3 30.7 53.5 16.5 15 15 A Y S S- 0 0 67 -5,-0.1 -5,-0.0 -3,-0.1 -6,-0.0 -0.524 73.2-102.3 -66.7 128.1 27.6 51.6 17.5 16 16 A P - 0 0 36 0, 0.0 33,-0.1 0, 0.0 -1,-0.1 -0.250 31.5-173.3 -61.1 142.9 25.4 51.4 14.4 17 17 A K S S+ 0 0 196 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.719 78.2 34.7-101.1 -32.2 22.3 53.7 14.1 18 18 A T S S- 0 0 119 30,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.845 71.8-151.7-119.9 164.1 21.1 52.0 11.0 19 19 A Y - 0 0 67 -2,-0.3 29,-0.1 2,-0.1 3,-0.0 -0.805 30.2-110.9-131.9 161.9 21.2 48.4 9.7 20 20 A A S S+ 0 0 113 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 0.757 99.5 21.7 -68.7 -25.1 21.2 46.8 6.3 21 21 A R S S- 0 0 142 26,-0.1 -2,-0.1 1,-0.0 3,-0.1 -0.901 70.1-126.5-144.0 164.9 17.7 45.4 6.7 22 22 A D S S+ 0 0 153 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 0.574 83.0 0.5 -94.5 -20.1 14.5 46.1 8.6 23 23 A D - 0 0 102 24,-0.1 24,-0.1 22,-0.0 -1,-0.1 -0.951 65.6-110.8-156.2-179.9 13.8 42.6 10.1 24 24 A L - 0 0 30 -2,-0.3 23,-0.0 22,-0.1 -2,-0.0 -0.867 44.0 -87.3-117.9 152.8 15.0 39.0 10.4 25 25 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.253 44.8-114.5 -54.0 144.5 13.4 35.7 9.0 26 26 A K + 0 0 166 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.706 40.4 171.6 -82.1 128.0 10.8 34.1 11.2 27 27 A I - 0 0 73 -2,-0.4 3,-0.1 1,-0.1 9,-0.0 -0.990 16.7-175.8-136.5 138.7 11.8 30.7 12.6 28 28 A D + 0 0 104 -2,-0.3 8,-2.2 1,-0.2 2,-0.3 0.730 66.2 14.1-104.0 -35.0 9.9 28.7 15.3 29 29 A H B -G 35 0C 104 6,-0.2 -1,-0.2 7,-0.0 6,-0.2 -0.915 65.8-117.9-139.5 165.0 12.1 25.7 15.9 30 30 A Y > - 0 0 7 4,-3.2 3,-2.8 -2,-0.3 4,-0.1 -0.655 56.5 -78.4 -94.3 157.2 15.5 24.2 15.4 31 31 A P T 3 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.364 127.5 36.9 -55.3 135.2 15.9 20.9 13.4 32 32 A G T 3 S- 0 0 93 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 0.071 129.3 -90.2 95.0 -21.1 14.9 18.1 15.7 33 33 A G S < S+ 0 0 39 -3,-2.8 -1,-0.1 1,-0.3 2,-0.1 0.496 71.2 154.8 97.7 2.0 12.2 20.4 17.1 34 34 A Q - 0 0 29 -3,-0.3 -4,-3.2 -4,-0.1 -1,-0.3 -0.417 48.3-117.9 -55.0 129.6 13.8 22.3 20.0 35 35 A T B -G 29 0C 73 -6,-0.2 -6,-0.2 1,-0.1 3,-0.1 -0.506 24.3-106.8 -75.0 145.5 11.8 25.5 20.2 36 36 A L - 0 0 30 -8,-2.2 -1,-0.1 1,-0.2 108,-0.0 -0.185 64.5 -60.3 -57.2 159.0 13.6 28.9 19.7 37 37 A P - 0 0 23 0, 0.0 -1,-0.2 0, 0.0 310,-0.1 -0.112 49.6-158.7 -51.5 147.7 14.1 30.9 22.9 38 38 A T + 0 0 81 -3,-0.1 2,-0.1 309,-0.1 309,-0.1 -0.489 22.5 161.3-125.5 61.6 10.9 31.8 24.8 39 39 A P - 0 0 23 0, 0.0 311,-0.1 0, 0.0 3,-0.1 -0.440 53.4-110.6 -76.5 168.4 11.5 34.8 27.1 40 40 A K S S- 0 0 136 1,-0.2 2,-0.3 309,-0.1 310,-0.0 0.778 92.6 -20.3 -69.6 -26.9 8.3 36.6 28.3 41 41 A A - 0 0 47 305,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.964 60.9-133.7-162.8 171.5 9.3 39.5 26.1 42 42 A I - 0 0 64 -2,-0.3 16,-0.1 -3,-0.1 17,-0.1 -0.988 4.4-152.6-134.1 150.4 12.3 41.1 24.5 43 43 A D S S+ 0 0 77 15,-0.5 2,-0.3 -2,-0.3 18,-0.1 0.002 71.5 70.3-111.7 29.7 13.3 44.7 24.5 44 44 A F S S- 0 0 19 13,-0.1 -2,-0.1 298,-0.1 6,-0.0 -0.920 80.9-114.0-132.8 165.4 15.2 44.8 21.2 45 45 A T > - 0 0 82 -2,-0.3 3,-1.9 -22,-0.0 -2,-0.1 -0.903 45.2-112.1 -91.7 119.1 14.3 44.6 17.5 46 46 A P T 3 S+ 0 0 50 0, 0.0 -22,-0.1 0, 0.0 293,-0.1 -0.339 105.5 46.7 -52.0 136.0 15.8 41.4 16.2 47 47 A G T 3 S+ 0 0 11 1,-0.5 2,-0.1 291,-0.5 -26,-0.1 0.165 84.9 121.9 107.8 -12.2 18.6 42.3 13.8 48 48 A Q S < S- 0 0 63 -3,-1.9 2,-0.9 290,-0.1 -1,-0.5 -0.495 77.5 -98.6 -80.2 153.9 20.1 44.9 16.2 49 49 A L + 0 0 20 1,-0.2 -1,-0.1 -33,-0.1 8,-0.1 -0.653 56.6 156.4 -74.8 108.1 23.7 44.6 17.3 50 50 A L + 0 0 2 -2,-0.9 7,-2.4 1,-0.1 8,-0.2 0.644 56.2 65.2-109.9 -20.5 23.3 43.0 20.7 51 51 A G S S+ 0 0 0 5,-0.2 -43,-1.7 285,-0.1 2,-0.2 0.405 87.5 80.6 -93.9 1.0 26.7 41.2 21.4 52 52 A S B >> S-f 8 0B 0 -45,-0.2 3,-1.8 -3,-0.0 4,-1.5 -0.635 98.3 -94.5-100.0 165.0 28.8 44.4 21.6 53 53 A V T 34 S+ 0 0 38 -45,-2.3 3,-0.2 1,-0.3 -44,-0.1 0.840 123.1 47.3 -46.5 -45.2 29.0 46.7 24.6 54 54 A S T 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.1 -45,-0.1 0.697 106.7 58.6 -76.8 -14.6 26.4 49.2 23.5 55 55 A G T X4 S- 0 0 9 -3,-1.8 3,-1.9 2,-0.1 -1,-0.2 0.879 77.1-168.0 -81.9 -36.1 23.9 46.4 22.7 56 56 A E G >< - 0 0 46 -4,-1.5 3,-2.5 1,-0.3 4,-0.2 0.682 62.4 -81.3 59.9 24.9 23.9 44.9 26.2 57 57 A L G 3 S- 0 0 1 -7,-2.4 -1,-0.3 -5,-0.3 292,-0.2 0.658 73.3 -80.4 51.9 19.4 22.1 41.8 24.9 58 58 A G G < S+ 0 0 15 -3,-1.9 -15,-0.5 -8,-0.2 4,-0.3 0.752 106.1 123.3 64.3 26.6 19.0 44.0 25.2 59 59 A L <> + 0 0 0 -3,-2.5 4,-3.0 1,-0.1 5,-0.3 0.610 37.5 85.3 -93.5 -18.5 19.0 43.2 28.9 60 60 A R H > S+ 0 0 63 1,-0.2 4,-2.9 -4,-0.2 5,-0.4 0.921 90.9 43.5 -64.4 -53.2 19.1 46.5 30.7 61 61 A K H > S+ 0 0 155 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 116.3 49.8 -59.2 -42.6 15.5 47.6 30.9 62 62 A Y H > S+ 0 0 6 -4,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.958 116.5 39.9 -59.4 -54.6 14.4 44.1 31.9 63 63 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 3,-0.7 0.942 120.1 43.3 -65.5 -44.6 16.9 43.7 34.7 64 64 A E H ><5S+ 0 0 96 -4,-2.9 3,-2.2 -5,-0.3 -2,-0.2 0.902 108.6 56.5 -70.5 -39.6 16.7 47.2 36.1 65 65 A S H 3<5S+ 0 0 95 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.680 108.5 52.5 -63.2 -15.3 12.9 47.4 35.9 66 66 A N T <<5S- 0 0 88 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.276 126.8 -99.8-102.8 6.2 13.1 44.3 38.1 67 67 A G T < 5S+ 0 0 67 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.508 80.2 130.6 92.8 5.7 15.4 45.8 40.7 68 68 A H < - 0 0 31 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.452 54.6-123.5 -89.9 165.1 18.6 44.3 39.4 69 69 A T E -a 2 0A 74 -68,-3.1 -66,-3.8 -2,-0.1 2,-0.5 -0.889 21.0-166.5-102.2 133.4 22.1 45.7 38.6 70 70 A L E -a 3 0A 8 -2,-0.4 2,-0.5 -68,-0.2 -66,-0.2 -0.981 5.6-176.8-120.4 121.1 23.6 45.3 35.2 71 71 A V E -a 4 0A 30 -68,-3.1 -66,-2.8 -2,-0.5 2,-0.4 -0.972 7.6-171.5-107.9 122.0 27.2 46.0 34.6 72 72 A V E +a 5 0A 24 -2,-0.5 2,-0.3 -68,-0.2 -66,-0.2 -0.945 16.0 151.2-111.2 133.4 28.4 45.6 31.0 73 73 A T E -a 6 0A 16 -68,-1.7 -66,-1.6 -2,-0.4 -2,-0.0 -0.982 43.1-152.2-149.9 157.3 32.1 45.8 29.9 74 74 A S S S+ 0 0 25 -2,-0.3 2,-1.1 -68,-0.2 -65,-0.1 0.481 75.5 102.7 -97.5 -8.0 34.5 44.5 27.3 75 75 A D + 0 0 73 1,-0.2 8,-2.8 -67,-0.1 9,-0.2 -0.614 38.8 135.4 -81.9 96.4 37.3 44.8 29.8 76 76 A K + 0 0 7 -2,-1.1 2,-0.4 6,-0.2 -1,-0.2 0.461 29.8 102.3-125.2 -9.6 37.7 41.2 30.8 77 77 A D S S- 0 0 97 -3,-0.1 4,-0.3 24,-0.1 3,-0.3 -0.753 72.6 -10.8-102.4 133.2 41.4 40.2 30.9 78 78 A G S > S- 0 0 37 -2,-0.4 3,-1.2 1,-0.2 6,-0.4 0.152 93.2 -59.4 73.9 175.2 43.8 39.8 33.9 79 79 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.621 127.2 51.6 -74.0 -14.0 43.4 40.7 37.6 80 80 A D T 3 S+ 0 0 132 -3,-0.3 -2,-0.1 4,-0.1 -3,-0.0 0.505 82.0 118.8 -98.6 -6.6 42.8 44.5 37.2 81 81 A S S <> S- 0 0 2 -3,-1.2 4,-2.3 -4,-0.3 5,-0.2 -0.048 77.4-114.1 -58.2 158.3 40.0 44.5 34.5 82 82 A V H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.931 117.9 57.4 -57.4 -40.5 36.5 45.9 35.1 83 83 A F H > S+ 0 0 0 -8,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.956 108.4 42.3 -55.4 -54.0 35.3 42.2 34.8 84 84 A E H > S+ 0 0 21 -6,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.862 114.9 51.0 -69.6 -30.5 37.5 40.9 37.7 85 85 A R H < S+ 0 0 145 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.912 116.0 41.1 -67.4 -41.6 36.7 44.0 39.9 86 86 A E H >X S+ 0 0 49 -4,-2.7 3,-0.9 -5,-0.2 4,-0.5 0.700 100.6 74.7 -79.7 -21.0 33.0 43.6 39.4 87 87 A L H >< S+ 0 0 0 -4,-1.9 3,-1.0 -5,-0.3 26,-0.4 0.811 74.4 80.2 -60.3 -33.9 33.0 39.9 39.7 88 88 A V T 3< S+ 0 0 68 -4,-0.6 24,-1.3 -3,-0.5 25,-0.5 0.757 111.3 17.9 -55.7 -32.1 33.5 39.8 43.5 89 89 A D T <4 S+ 0 0 68 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.3 0.278 91.7 126.0-123.8 10.0 29.9 40.5 44.3 90 90 A A << - 0 0 0 -3,-1.0 23,-0.2 -4,-0.5 -87,-0.2 -0.526 40.5-164.4 -67.2 129.5 28.1 39.6 41.0 91 91 A D S S+ 0 0 24 -89,-1.4 24,-3.7 -2,-0.3 25,-2.0 0.835 79.3 31.6 -75.2 -37.0 25.3 37.0 41.3 92 92 A V E -bc 3 116A 0 -90,-2.2 -88,-3.5 23,-0.2 2,-0.4 -0.983 65.2-166.2-128.3 131.3 25.2 36.3 37.5 93 93 A V E -bc 4 117A 3 23,-2.6 25,-3.2 -2,-0.4 2,-0.4 -0.978 10.6-177.4-114.3 134.0 28.0 36.4 35.0 94 94 A I E +bc 5 118A 0 -90,-2.3 -88,-2.6 -2,-0.4 2,-0.3 -0.998 11.4 151.3-128.2 127.6 27.2 36.3 31.2 95 95 A S E -bc 6 119A 1 23,-1.7 25,-2.6 -2,-0.4 -88,-0.1 -0.958 35.4-120.5-144.2 170.1 29.6 36.3 28.3 96 96 A Q B > -H 99 0D 0 -90,-0.6 3,-2.1 3,-0.6 25,-0.2 -0.790 25.8-121.2-100.4 149.0 29.8 35.0 24.7 97 97 A P T 3 S+ 0 0 19 0, 0.0 24,-0.1 0, 0.0 -1,-0.1 0.728 113.4 66.2 -57.3 -18.5 32.3 32.5 23.3 98 98 A F T 3 S+ 0 0 23 1,-0.3 234,-0.1 237,-0.1 -91,-0.1 0.617 124.5 10.5 -78.5 -14.4 33.3 35.3 20.9 99 99 A W B < S-H 96 0D 55 -3,-2.1 -3,-0.6 -93,-0.1 -1,-0.3 -0.428 93.4-166.3-161.3 71.4 34.6 37.4 23.8 100 100 A P - 0 0 17 0, 0.0 2,-0.9 0, 0.0 -93,-0.1 -0.374 20.0-145.8 -79.1 138.4 34.6 35.0 26.7 101 101 A A - 0 0 0 -95,-0.2 -24,-0.1 -2,-0.1 -95,-0.1 -0.885 32.7-133.2 -99.5 99.9 34.9 36.1 30.3 102 102 A Y - 0 0 94 -2,-0.9 2,-0.8 -26,-0.2 25,-0.2 -0.315 13.7-156.6 -61.6 126.9 36.9 33.1 31.7 103 103 A L B +i 127 0E 2 23,-2.9 25,-2.6 -2,-0.1 29,-0.1 -0.797 24.4 176.9-104.8 83.4 35.6 31.7 35.0 104 104 A T > - 0 0 50 -2,-0.8 4,-2.7 23,-0.2 5,-0.3 -0.413 48.4 -99.2 -79.2 161.3 38.7 30.0 36.3 105 105 A P H > S+ 0 0 57 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.902 127.1 50.6 -42.4 -49.8 38.9 28.2 39.7 106 106 A E H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.880 112.0 44.5 -53.6 -49.4 40.6 31.4 41.0 107 107 A R H > S+ 0 0 17 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.819 112.6 51.6 -73.3 -31.2 38.0 33.8 39.6 108 108 A I H >< S+ 0 0 3 -4,-2.7 3,-1.3 2,-0.2 6,-0.2 0.944 107.3 52.4 -71.4 -46.7 35.2 31.6 40.9 109 109 A A H 3< S+ 0 0 56 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.867 111.5 48.2 -53.9 -41.2 36.7 31.5 44.4 110 110 A K H 3< S+ 0 0 102 -4,-1.8 2,-1.8 -5,-0.2 -1,-0.3 0.644 90.9 88.7 -69.0 -19.0 36.8 35.3 44.3 111 111 A A X< + 0 0 0 -3,-1.3 3,-1.4 -4,-0.6 -23,-0.2 -0.547 54.5 173.0 -87.6 81.8 33.1 35.4 43.0 112 112 A K T 3 S+ 0 0 148 -2,-1.8 -1,-0.2 -24,-1.3 -23,-0.2 0.741 76.5 35.6 -72.1 -23.1 31.5 35.4 46.4 113 113 A N T 3 S+ 0 0 62 -25,-0.5 -1,-0.3 -26,-0.4 -24,-0.1 0.423 82.0 139.6 -99.0 -0.2 27.9 36.0 45.2 114 114 A L < + 0 0 5 -3,-1.4 -23,-0.2 -6,-0.2 -22,-0.2 -0.246 6.3 148.6 -62.0 122.3 28.2 33.9 42.0 115 115 A K + 0 0 92 -24,-3.7 23,-2.7 1,-0.3 2,-0.4 0.595 64.6 30.9-120.3 -27.1 25.0 31.8 41.5 116 116 A L E -cd 92 138A 0 -25,-2.0 -23,-2.6 21,-0.2 2,-0.5 -0.995 50.2-167.6-144.8 131.7 24.8 31.6 37.7 117 117 A A E -cd 93 139A 2 21,-3.0 23,-1.8 -2,-0.4 2,-0.4 -0.967 22.4-169.0-116.3 107.4 27.3 31.5 34.8 118 118 A L E -cd 94 140A 2 -25,-3.2 -23,-1.7 -2,-0.5 2,-0.7 -0.840 14.7-150.0-106.8 127.9 25.4 32.0 31.5 119 119 A T E -cd 95 141A 0 21,-2.7 2,-1.4 -2,-0.4 23,-0.8 -0.921 7.1-151.8 -92.5 112.9 26.9 31.5 28.1 120 120 A A S S+ 0 0 0 -25,-2.6 2,-0.3 -2,-0.7 224,-0.1 -0.763 85.1 21.2 -82.8 90.5 25.3 33.9 25.6 121 121 A G S S- 0 0 0 -2,-1.4 21,-2.5 -25,-0.2 2,-0.4 -0.959 114.3 -42.1 138.0-160.7 26.0 31.4 22.9 122 122 A I S S+ 0 0 50 -2,-0.3 -2,-0.1 19,-0.2 21,-0.1 -0.847 89.3 0.9-113.1 140.5 26.8 27.7 23.0 123 123 A G - 0 0 15 -2,-0.4 19,-0.1 1,-0.1 -4,-0.1 -0.190 61.4-106.6 90.8-169.3 29.0 25.7 25.5 124 124 A S > + 0 0 20 17,-0.1 3,-2.1 3,-0.1 -1,-0.1 0.077 57.9 134.0-156.6 28.8 31.1 26.3 28.5 125 125 A D T 3 S+ 0 0 92 1,-0.3 -2,-0.1 3,-0.1 4,-0.0 0.699 79.4 52.9 -64.2 -18.7 34.8 26.1 27.4 126 126 A H T 3 S+ 0 0 13 -24,-0.1 -23,-2.9 2,-0.1 2,-0.4 0.431 97.7 78.7 -96.4 -3.4 35.6 29.3 29.4 127 127 A V B < S-i 103 0E 10 -3,-2.1 2,-0.8 -25,-0.2 -23,-0.2 -0.910 78.8-129.8-110.4 130.7 34.0 28.0 32.6 128 128 A D > - 0 0 59 -25,-2.6 4,-2.3 -2,-0.4 5,-0.1 -0.729 24.0-165.3 -75.4 112.2 35.7 25.6 35.1 129 129 A L H > S+ 0 0 59 -2,-0.8 4,-2.9 2,-0.2 5,-0.2 0.904 81.4 51.7 -75.4 -40.2 32.9 23.1 35.6 130 130 A Q H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.960 112.6 47.6 -60.1 -49.6 34.3 21.3 38.6 131 131 A S H > S+ 0 0 20 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.900 111.4 50.6 -55.1 -45.2 34.7 24.7 40.4 132 132 A A H ><>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 3,-1.0 0.928 112.6 47.5 -57.0 -47.8 31.1 25.7 39.3 133 133 A I H ><5S+ 0 0 86 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.888 105.8 57.6 -57.3 -46.4 29.8 22.4 40.7 134 134 A D H 3<5S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.580 113.7 40.7 -64.2 -10.3 31.8 22.8 44.0 135 135 A R T <<5S- 0 0 88 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.314 111.1-115.3-119.0 7.6 29.9 26.1 44.5 136 136 A N T < 5 + 0 0 101 -3,-1.4 235,-0.7 1,-0.2 2,-0.6 0.906 58.2 163.6 55.9 37.6 26.5 25.1 43.3 137 137 A V < - 0 0 0 -5,-3.0 2,-0.2 233,-0.2 -21,-0.2 -0.836 37.1-130.8 -84.9 117.9 26.9 27.6 40.5 138 138 A T E -d 116 0A 0 -23,-2.7 -21,-3.0 -2,-0.6 2,-0.5 -0.552 19.3-159.7 -66.2 130.8 24.3 27.0 37.7 139 139 A V E +dE 117 368A 0 229,-2.5 228,-3.4 -2,-0.2 229,-1.8 -0.985 18.2 171.4-117.1 119.4 26.0 26.9 34.2 140 140 A A E -dE 118 366A 0 -23,-1.8 -21,-2.7 -2,-0.5 2,-0.3 -0.941 13.7-170.5-129.5 153.1 23.6 27.4 31.4 141 141 A E E -d 119 0A 30 224,-2.4 2,-1.4 -2,-0.3 -19,-0.2 -0.906 36.3-111.3-136.4 157.1 24.0 28.0 27.6 142 142 A V > - 0 0 0 -21,-2.5 3,-2.3 -23,-0.8 4,-0.2 -0.611 47.7-146.8 -89.9 74.4 21.6 29.0 24.8 143 143 A T T 3 S+ 0 0 1 -2,-1.4 -21,-0.1 1,-0.3 222,-0.1 -0.070 70.7 3.3 -47.8 135.1 21.7 25.6 23.2 144 144 A Y T > S+ 0 0 25 1,-0.1 3,-0.5 -108,-0.0 4,-0.5 0.404 86.0 130.9 74.9 -2.1 21.4 25.5 19.4 145 145 A C T < S+ 0 0 0 -3,-2.3 198,-0.2 1,-0.2 199,-0.2 0.805 88.7 9.2 -60.1 -28.0 21.2 29.3 19.1 146 146 A N T 3> S+ 0 0 8 -4,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.151 89.6 112.2-139.6 18.4 23.9 29.4 16.4 147 147 A S H <> S+ 0 0 3 -3,-0.5 4,-2.0 1,-0.2 5,-0.1 0.929 89.2 45.0 -55.3 -44.8 24.5 25.8 15.3 148 148 A I H > S+ 0 0 25 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.908 108.8 55.6 -66.3 -42.7 22.9 26.7 12.0 149 149 A S H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 110.8 45.4 -54.6 -46.5 24.9 29.9 11.6 150 150 A V H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.921 109.6 54.5 -66.2 -43.5 28.1 28.0 12.0 151 151 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.869 108.6 49.1 -60.1 -37.8 27.0 25.3 9.6 152 152 A E H X S+ 0 0 113 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.942 110.1 50.7 -66.9 -43.9 26.3 27.9 6.9 153 153 A H H X S+ 0 0 23 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.922 109.8 52.9 -56.0 -43.7 29.8 29.5 7.5 154 154 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.945 111.7 42.7 -59.3 -50.7 31.3 26.0 7.1 155 155 A V H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.913 113.2 52.7 -67.8 -45.0 29.6 25.4 3.8 156 156 A M H X S+ 0 0 88 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.912 112.8 47.0 -46.5 -49.8 30.4 29.0 2.5 157 157 A M H X S+ 0 0 6 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.894 109.1 51.9 -65.3 -42.6 34.0 28.3 3.5 158 158 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.927 113.8 44.0 -57.8 -50.8 34.2 24.9 1.8 159 159 A L H X S+ 0 0 44 -4,-2.4 4,-2.7 1,-0.2 6,-0.2 0.900 112.2 52.8 -60.8 -45.2 32.9 26.2 -1.5 160 160 A S H <>S+ 0 0 22 -4,-2.4 5,-2.2 -5,-0.3 6,-0.5 0.853 112.1 44.5 -64.7 -36.6 35.0 29.3 -1.3 161 161 A L H ><5S+ 0 0 13 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.928 115.9 46.3 -68.0 -50.5 38.3 27.2 -0.8 162 162 A V H 3<5S+ 0 0 0 -4,-2.4 25,-2.9 1,-0.2 -2,-0.2 0.912 118.3 41.6 -59.1 -42.2 37.4 24.6 -3.5 163 163 A R T 3<5S- 0 0 127 -4,-2.7 -1,-0.2 23,-0.3 -2,-0.2 0.418 106.7-124.3 -90.1 2.5 36.4 27.3 -6.0 164 164 A N T <>5 + 0 0 8 -3,-0.8 4,-1.9 -4,-0.2 -3,-0.2 0.864 52.1 159.1 58.9 39.9 39.3 29.6 -5.1 165 165 A Y H >< + 0 0 140 -5,-2.2 4,-3.1 -6,-0.2 5,-0.2 0.882 60.1 54.8 -63.8 -44.3 36.9 32.5 -4.4 166 166 A L H > S+ 0 0 76 -6,-0.5 4,-2.2 1,-0.2 5,-0.2 0.971 112.4 40.1 -69.7 -47.6 39.1 34.7 -2.3 167 167 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.924 115.9 54.3 -61.1 -38.0 42.1 35.1 -4.6 168 168 A S H X S+ 0 0 31 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.908 108.8 48.0 -59.6 -44.5 39.5 35.4 -7.5 169 169 A H H X S+ 0 0 96 -4,-3.1 4,-3.2 2,-0.2 -1,-0.2 0.882 108.8 53.9 -62.1 -40.4 37.8 38.2 -5.7 170 170 A E H X S+ 0 0 64 -4,-2.2 4,-2.8 2,-0.2 6,-0.3 0.920 105.4 54.0 -59.7 -42.6 41.2 40.0 -5.0 171 171 A W H <>S+ 0 0 92 -4,-2.6 5,-2.4 1,-0.2 4,-0.2 0.967 113.4 42.9 -57.5 -48.6 42.0 39.8 -8.7 172 172 A A H ><5S+ 0 0 69 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.917 114.2 49.7 -60.0 -43.6 38.6 41.6 -9.3 173 173 A R H 3<5S+ 0 0 153 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.877 110.1 52.0 -67.8 -34.9 39.1 44.1 -6.5 174 174 A K T 3<5S- 0 0 154 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.253 122.3 -96.5 -89.0 7.2 42.6 45.0 -7.6 175 175 A G T < 5S+ 0 0 73 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.531 83.1 128.6 91.3 6.6 41.8 45.9 -11.3 176 176 A G < - 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