==== 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 19-MAY-04 1TA4 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR R.E.VIOLA . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 2 0 1 0 1 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 5 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 M 0 0 167 0, 0.0 29,-0.2 0, 0.0 357,-0.1 0.000 360.0 360.0 360.0 133.9 -14.6 9.4 -10.1 2 2 A K - 0 0 70 27,-0.4 29,-2.6 355,-0.2 2,-0.5 -0.362 360.0-120.7 -68.6 143.7 -15.3 13.0 -11.2 3 3 A N E -a 31 0A 51 27,-0.2 52,-2.2 50,-0.1 53,-2.0 -0.776 32.5-168.5 -90.7 123.2 -15.1 15.7 -8.6 4 4 A V E -ab 32 56A 0 27,-3.3 29,-3.2 -2,-0.5 2,-0.3 -0.942 11.3-154.1-122.3 127.9 -18.4 17.6 -8.2 5 5 A G E -ab 33 57A 0 51,-3.0 53,-2.5 -2,-0.5 2,-0.4 -0.738 9.4-154.1 -96.8 144.3 -19.1 20.8 -6.3 6 6 A F E -ab 34 58A 1 27,-2.5 29,-2.5 -2,-0.3 2,-0.3 -0.975 12.1-178.0-121.8 130.1 -22.6 21.6 -5.0 7 7 A I E + b 0 59A 2 51,-2.7 53,-1.7 -2,-0.4 54,-0.2 -0.946 68.3 14.6-125.7 145.3 -23.8 25.1 -4.4 8 8 A G S > S+ 0 0 9 -2,-0.3 3,-0.6 51,-0.2 6,-0.4 0.857 77.3 142.0 61.1 35.8 -27.2 26.2 -3.0 9 9 A W T 3 + 0 0 62 26,-0.3 9,-0.2 1,-0.2 -1,-0.1 0.483 62.5 59.1 -86.2 -4.1 -27.8 22.7 -1.8 10 10 A R T 3 S+ 0 0 183 4,-0.1 -1,-0.2 5,-0.1 -2,-0.1 0.451 88.2 90.5-101.7 -4.0 -29.4 23.9 1.4 11 11 A G S <> S- 0 0 39 -3,-0.6 4,-2.7 1,-0.1 5,-0.1 -0.111 97.6 -92.0 -78.1-174.6 -32.2 25.8 -0.3 12 12 A M H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.971 126.6 39.7 -64.9 -56.6 -35.5 24.2 -1.2 13 13 A V H > S+ 0 0 38 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.930 119.6 48.3 -58.4 -46.9 -34.6 23.1 -4.8 14 14 A G H > S+ 0 0 0 -6,-0.4 4,-2.4 46,-0.3 -1,-0.2 0.916 108.3 53.8 -59.9 -44.7 -31.2 22.1 -3.5 15 15 A S H X S+ 0 0 47 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.839 108.2 49.9 -59.7 -35.5 -32.6 20.2 -0.6 16 16 A V H X S+ 0 0 20 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.825 109.1 52.4 -72.9 -32.2 -34.9 18.2 -2.9 17 17 A L H X S+ 0 0 3 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.934 108.9 50.2 -67.2 -46.6 -31.9 17.3 -5.1 18 18 A M H X S+ 0 0 24 -4,-2.4 4,-3.0 -9,-0.2 -2,-0.2 0.928 113.1 45.0 -57.7 -49.0 -29.9 16.1 -2.1 19 19 A D H X S+ 0 0 97 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.923 115.5 46.5 -63.0 -46.5 -32.8 13.8 -1.0 20 20 A R H X S+ 0 0 20 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.898 114.1 49.2 -62.1 -40.9 -33.5 12.5 -4.4 21 21 A M H <>S+ 0 0 0 -4,-3.1 5,-2.6 2,-0.2 4,-0.4 0.920 112.7 47.3 -64.5 -44.1 -29.7 11.9 -5.0 22 22 A S H ><5S+ 0 0 72 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.943 108.2 55.4 -62.7 -46.8 -29.5 10.2 -1.7 23 23 A Q H 3<5S+ 0 0 123 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.774 115.8 38.2 -55.8 -30.3 -32.5 8.0 -2.5 24 24 A E T 3<5S- 0 0 90 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.348 111.3-120.8-103.0 3.6 -30.9 6.9 -5.7 25 25 A N T X 5 + 0 0 84 -3,-1.6 3,-0.6 -4,-0.4 -3,-0.2 0.926 55.5 155.9 53.7 53.0 -27.4 6.6 -4.2 26 26 A D G > < + 0 0 8 -5,-2.6 3,-1.2 1,-0.2 -4,-0.1 0.736 61.6 68.1 -78.8 -25.2 -25.9 9.1 -6.6 27 27 A F G > S+ 0 0 61 -6,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.664 84.4 74.8 -70.4 -13.2 -23.1 10.1 -4.2 28 28 A E G < S+ 0 0 133 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.750 98.0 44.2 -70.4 -23.5 -21.6 6.6 -4.7 29 29 A N G < S+ 0 0 67 -3,-1.2 -27,-0.4 -4,-0.2 2,-0.3 0.179 112.7 47.9-108.0 18.1 -20.3 7.4 -8.2 30 30 A L S < S- 0 0 7 -3,-1.0 -27,-0.2 -29,-0.2 324,-0.0 -0.966 76.0-113.9-151.7 166.2 -18.8 10.9 -7.6 31 31 A N E -a 3 0A 73 -29,-2.6 -27,-3.3 -2,-0.3 2,-0.4 -0.869 39.1-154.6-106.2 99.0 -16.6 13.0 -5.4 32 32 A P E -a 4 0A 43 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 -0.604 15.8-178.0 -83.7 130.2 -18.8 15.6 -3.7 33 33 A V E -a 5 0A 27 -29,-3.2 -27,-2.5 -2,-0.4 2,-0.4 -0.994 15.7-149.2-123.6 127.4 -17.5 18.9 -2.5 34 34 A F E -a 6 0A 57 -2,-0.4 9,-1.1 -29,-0.2 2,-0.2 -0.854 12.1-168.7-106.2 134.2 -20.0 21.3 -0.8 35 35 A F E -f 43 0B 1 -29,-2.5 -26,-0.3 -2,-0.4 2,-0.3 -0.625 2.0-169.9-111.4 171.0 -19.8 25.1 -0.8 36 36 A T E -f 44 0B 29 7,-0.9 9,-2.4 -2,-0.2 10,-0.4 -0.980 29.9-139.9-156.8 158.9 -21.5 27.9 1.0 37 37 A T S S+ 0 0 68 -2,-0.3 7,-0.1 7,-0.2 -1,-0.0 0.466 74.7 105.5 -98.3 -7.9 -22.0 31.6 1.0 38 38 A S - 0 0 66 1,-0.1 -2,-0.1 -3,-0.0 7,-0.1 -0.259 60.0-154.4 -73.3 160.5 -21.8 31.8 4.8 39 39 A Q 0 0 203 5,-0.0 -1,-0.1 -2,-0.0 5,-0.0 -0.157 360.0 360.0-121.6 30.3 -18.8 33.0 6.8 40 40 A A 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.260 360.0 360.0 -76.4 360.0 -19.8 30.9 9.8 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 54 A L 0 0 141 0, 0.0 -7,-0.2 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 156.9 -16.8 23.2 3.6 43 55 A K E -f 35 0B 83 -9,-1.1 -7,-0.9 1,-0.1 2,-0.5 -0.007 360.0 -91.5 -76.7-177.3 -15.4 25.7 1.0 44 56 A S E > -f 36 0B 48 -9,-0.2 3,-2.1 1,-0.1 -7,-0.2 -0.870 19.0-143.1-101.9 127.6 -16.6 29.1 -0.2 45 57 A A T 3 S+ 0 0 0 -9,-2.4 -8,-0.1 -2,-0.5 -1,-0.1 0.580 104.3 54.9 -63.5 -8.2 -18.9 29.2 -3.2 46 58 A F T 3 S+ 0 0 92 -10,-0.4 2,-1.6 1,-0.1 -1,-0.3 0.425 76.1 105.9-104.5 -1.7 -17.0 32.4 -4.1 47 59 A D X> - 0 0 71 -3,-2.1 4,-1.9 1,-0.2 3,-0.8 -0.606 50.6-171.6 -82.4 84.7 -13.5 30.9 -4.1 48 60 A I H 3> S+ 0 0 29 -2,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.773 81.8 53.8 -48.3 -34.8 -12.9 30.7 -7.8 49 61 A E H 3> S+ 0 0 107 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.896 107.2 49.8 -71.6 -38.1 -9.7 28.7 -7.4 50 62 A E H <4 S+ 0 0 41 -3,-0.8 4,-0.3 1,-0.2 3,-0.3 0.868 112.8 48.5 -64.6 -36.1 -11.4 26.0 -5.3 51 63 A L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.841 101.6 64.3 -71.5 -34.5 -14.1 25.8 -8.0 52 64 A K H 3< S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 95.3 59.3 -60.1 -30.0 -11.5 25.5 -10.7 53 65 A K T 3< S+ 0 0 137 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.689 88.9 95.4 -73.9 -18.0 -10.3 22.2 -9.2 54 66 A L < - 0 0 10 -3,-1.4 26,-0.2 -4,-0.3 -50,-0.2 -0.428 63.1-153.2 -76.8 147.5 -13.8 20.7 -9.7 55 67 A D S S+ 0 0 53 -52,-2.2 26,-2.0 1,-0.3 2,-0.3 0.788 85.5 17.7 -84.6 -33.1 -14.7 18.6 -12.8 56 68 A I E -bc 4 81A 0 -53,-2.0 -51,-3.0 24,-0.2 2,-0.4 -0.998 64.0-159.1-142.8 142.7 -18.4 19.6 -12.4 57 69 A I E -bc 5 82A 0 24,-2.6 26,-3.5 -2,-0.3 2,-0.5 -0.980 4.6-166.9-123.5 134.6 -20.3 22.3 -10.6 58 70 A V E -bc 6 83A 1 -53,-2.5 -51,-2.7 -2,-0.4 2,-0.4 -0.972 10.5-171.0-124.7 114.2 -24.0 22.0 -9.7 59 71 A T E +bc 7 84A 0 24,-3.1 26,-1.5 -2,-0.5 27,-0.3 -0.903 31.2 157.9-111.2 137.0 -25.8 25.2 -8.6 60 72 A C + 0 0 24 -53,-1.7 -46,-0.3 -2,-0.4 -52,-0.2 0.004 57.6 104.3-132.7 15.2 -29.3 25.6 -7.2 61 73 A Q S S- 0 0 78 -54,-0.2 2,-0.1 1,-0.2 3,-0.1 0.847 84.2-101.2 -69.6 -40.4 -28.1 28.9 -5.6 62 74 A G > - 0 0 25 1,-0.1 4,-2.0 2,-0.1 3,-0.3 -0.436 30.8 -72.9 130.3 156.1 -29.8 31.3 -8.1 63 75 A G H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.820 122.4 56.7 -48.6 -42.9 -29.4 33.5 -11.1 64 76 A D H > S+ 0 0 139 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.959 107.4 47.4 -57.2 -54.0 -27.5 36.2 -9.1 65 77 A Y H >> S+ 0 0 13 -3,-0.3 4,-2.6 1,-0.2 3,-0.5 0.926 113.6 50.9 -52.1 -47.8 -24.8 33.8 -7.9 66 78 A T H 3X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.912 107.2 49.8 -57.9 -50.0 -24.5 32.5 -11.5 67 79 A N H 3< S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.712 117.2 42.7 -66.7 -18.5 -24.1 35.8 -13.2 68 80 A E H S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.949 112.8 47.1 -60.2 -47.6 -18.2 34.4 -15.9 72 84 A K H X S+ 0 0 119 -4,-0.5 4,-1.3 1,-0.2 -2,-0.2 0.906 115.9 46.9 -58.8 -42.5 -15.1 34.8 -13.6 73 85 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.0 1,-0.2 3,-0.6 0.945 111.4 46.6 -66.5 -52.7 -14.7 31.0 -13.5 74 86 A K H ><5S+ 0 0 63 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.752 107.7 63.9 -62.8 -19.9 -15.0 30.4 -17.3 75 87 A A H 3<5S+ 0 0 79 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.896 90.7 61.0 -69.6 -42.1 -12.6 33.3 -17.6 76 88 A T T <<5S- 0 0 55 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.557 124.1-103.5 -63.3 -6.2 -9.8 31.4 -15.8 77 89 A G T < 5 + 0 0 56 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.348 58.3 173.7 99.3 -6.0 -10.0 28.9 -18.6 78 90 A W < - 0 0 15 -5,-1.0 -1,-0.2 1,-0.2 -25,-0.1 -0.071 17.6-164.4 -39.1 122.0 -11.9 26.3 -16.5 79 91 A D + 0 0 117 -27,-0.2 -1,-0.2 2,-0.1 -5,-0.1 0.318 47.7 114.9 -97.0 6.3 -12.8 23.4 -18.8 80 92 A G S S- 0 0 8 -26,-0.2 2,-0.5 -28,-0.1 -24,-0.2 0.054 70.9 -92.1 -72.2-177.9 -15.4 21.8 -16.5 81 93 A Y E -c 56 0A 41 -26,-2.0 -24,-2.6 36,-0.1 2,-0.6 -0.845 28.9-153.0 -99.9 129.5 -19.2 21.3 -16.7 82 94 A W E -cd 57 117A 0 34,-3.2 36,-2.3 -2,-0.5 2,-0.6 -0.899 10.2-170.4-105.4 115.5 -21.5 23.9 -15.2 83 95 A V E +cd 58 118A 1 -26,-3.5 -24,-3.1 -2,-0.6 2,-0.3 -0.933 11.8 177.4-109.2 120.3 -24.9 22.5 -14.2 84 96 A D E -cd 59 119A 0 34,-2.0 36,-3.0 -2,-0.6 -24,-0.2 -0.925 32.2-169.9-126.3 146.6 -27.5 25.1 -13.2 85 97 A A + 0 0 20 -26,-1.5 -25,-0.1 -2,-0.3 -1,-0.1 0.587 69.3 93.5-103.1 -18.5 -31.1 25.0 -12.2 86 98 A A S S- 0 0 17 -27,-0.3 3,-0.4 1,-0.1 4,-0.2 -0.322 80.1-127.4 -73.4 158.3 -31.5 28.8 -12.5 87 99 A S S > S+ 0 0 42 1,-0.2 3,-2.0 2,-0.1 4,-0.4 0.718 81.4 104.2 -78.9 -22.0 -32.7 30.4 -15.7 88 100 A A T 3 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.718 92.6 24.3 -28.0 -48.4 -29.8 32.8 -16.0 89 101 A L T > S+ 0 0 6 -3,-0.4 3,-0.8 1,-0.1 -1,-0.3 0.432 85.8 110.6-109.0 3.2 -28.0 30.8 -18.8 90 102 A R T < S+ 0 0 22 -3,-2.0 -1,-0.1 1,-0.2 29,-0.1 0.793 84.4 39.7 -46.3 -42.4 -30.8 28.9 -20.5 91 103 A M T 3 S+ 0 0 81 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.722 84.3 120.7 -87.4 -19.4 -30.8 30.8 -23.8 92 104 A K S X S- 0 0 95 -3,-0.8 3,-1.1 -4,-0.1 -3,-0.0 0.044 71.5-119.5 -42.0 151.8 -27.1 31.2 -24.3 93 105 A D T 3 S+ 0 0 171 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.838 111.9 46.9 -65.7 -37.0 -25.6 29.8 -27.5 94 106 A D T 3 S+ 0 0 85 -5,-0.0 23,-0.7 2,-0.0 22,-0.5 0.212 101.0 83.6 -92.7 14.7 -23.2 27.4 -25.6 95 107 A A E < -e 117 0A 2 -3,-1.1 2,-0.4 -6,-0.1 23,-0.2 -0.904 59.7-156.2-120.1 148.2 -25.9 26.1 -23.2 96 108 A I E -e 118 0A 17 21,-1.8 23,-2.6 -2,-0.3 2,-0.8 -0.940 18.2-129.5-121.7 143.5 -28.4 23.4 -23.6 97 109 A I E -e 119 0A 1 -2,-0.4 23,-0.2 143,-0.2 2,-0.2 -0.844 32.8-143.0 -95.1 111.5 -31.7 23.0 -21.7 98 110 A V E +e 120 0A 2 21,-1.5 23,-0.8 -2,-0.8 6,-0.1 -0.493 47.2 139.6 -81.7 144.5 -31.8 19.5 -20.3 99 111 A L >> - 0 0 0 -2,-0.2 3,-4.2 21,-0.1 4,-1.6 -0.203 28.3-173.1-173.0 52.2 -34.9 17.2 -20.0 100 112 A D H 3> S+ 0 0 18 1,-0.3 4,-0.9 2,-0.2 5,-0.1 0.614 78.2 62.4 -31.8 -34.2 -33.2 13.9 -21.1 101 113 A P H 34 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.793 122.1 25.0 -70.2 -17.9 -36.4 11.9 -21.2 102 114 A V H <4 S+ 0 0 27 -3,-4.2 -2,-0.2 2,-0.0 3,-0.2 0.795 137.4 24.4-106.8 -46.4 -37.5 14.3 -23.9 103 115 A N H X + 0 0 5 -4,-1.6 4,-1.8 1,-0.2 -3,-0.2 -0.201 68.8 132.1-120.5 44.0 -34.4 15.7 -25.5 104 116 A Q H X S+ 0 0 58 -4,-0.9 4,-3.0 -5,-0.3 5,-0.2 0.918 75.2 58.5 -58.2 -41.9 -31.7 13.1 -24.9 105 117 A H H > S+ 0 0 141 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 105.6 47.7 -54.4 -47.9 -30.7 13.3 -28.6 106 118 A V H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 113.2 49.7 -61.6 -36.0 -30.0 17.1 -28.2 107 119 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.915 110.1 48.3 -70.2 -44.3 -28.0 16.4 -25.1 108 120 A S H X S+ 0 0 44 -4,-3.0 4,-2.6 2,-0.2 3,-0.5 0.969 114.3 46.7 -58.9 -53.3 -25.9 13.6 -26.6 109 121 A E H X S+ 0 0 94 -4,-2.5 4,-0.9 1,-0.3 -1,-0.2 0.882 111.7 52.3 -55.0 -41.2 -25.2 15.8 -29.7 110 122 A G H <>S+ 0 0 7 -4,-2.0 5,-2.8 -5,-0.2 -1,-0.3 0.815 109.2 49.1 -66.4 -31.8 -24.4 18.7 -27.4 111 123 A L H ><5S+ 0 0 52 -4,-2.0 3,-1.4 -3,-0.5 -2,-0.2 0.921 110.1 50.2 -72.4 -45.0 -21.9 16.6 -25.4 112 124 A K H 3<5S+ 0 0 156 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.662 109.5 53.4 -67.0 -16.3 -20.2 15.3 -28.6 113 125 A K T 3<5S- 0 0 155 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.472 122.0-104.4 -97.0 -4.8 -19.9 18.9 -29.7 114 126 A G T < 5 + 0 0 42 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.636 57.5 164.1 94.1 14.5 -18.2 20.1 -26.5 115 127 A I < - 0 0 15 -5,-2.8 -1,-0.2 -6,-0.1 -20,-0.1 -0.478 11.6-179.0 -66.4 134.2 -21.0 21.9 -24.7 116 128 A K + 0 0 47 -22,-0.5 -34,-3.2 -2,-0.2 2,-0.5 0.286 56.3 75.0-119.0 8.4 -20.0 22.4 -21.1 117 129 A T E +de 82 95A 2 -23,-0.7 -21,-1.8 -36,-0.2 2,-0.5 -0.961 52.8 179.9-128.2 114.9 -23.1 24.2 -19.6 118 130 A F E -de 83 96A 0 -36,-2.3 -34,-2.0 -2,-0.5 2,-0.4 -0.965 7.3-168.2-118.9 123.0 -26.3 22.3 -19.0 119 131 A V E -de 84 97A 0 -23,-2.6 -21,-1.5 -2,-0.5 -34,-0.2 -0.915 20.3-126.8-115.1 131.0 -29.3 24.2 -17.5 120 132 A G E - e 0 98A 4 -36,-3.0 -21,-0.1 -2,-0.4 -30,-0.1 -0.385 38.0-118.5 -67.1 151.4 -32.5 22.7 -16.1 121 133 A G - 0 0 4 -23,-0.8 -1,-0.1 1,-0.2 -34,-0.0 -0.376 33.3 -67.6 -95.6 173.3 -35.6 24.1 -17.7 122 134 A N > - 0 0 6 1,-0.1 4,-2.6 111,-0.1 5,-0.3 -0.266 43.3-128.9 -52.8 129.3 -38.7 26.1 -16.7 123 135 A C H > S+ 0 0 18 1,-0.2 4,-2.4 221,-0.2 5,-0.2 0.893 105.8 50.8 -49.6 -48.2 -41.0 24.1 -14.4 124 136 A T H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.912 114.0 42.8 -58.3 -47.7 -44.1 24.8 -16.5 125 137 A V H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 114.0 49.8 -67.4 -44.1 -42.5 23.7 -19.8 126 138 A S H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.923 110.5 50.6 -62.3 -43.9 -40.8 20.6 -18.5 127 139 A L H X S+ 0 0 2 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.834 112.1 49.5 -63.6 -30.8 -44.0 19.5 -16.8 128 140 A M H X S+ 0 0 3 -4,-1.3 4,-2.7 -5,-0.2 3,-0.3 0.937 112.5 44.7 -72.4 -48.3 -45.7 20.0 -20.2 129 141 A L H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.879 109.9 54.8 -64.9 -39.1 -43.1 18.1 -22.2 130 142 A M H < S+ 0 0 0 -4,-2.8 162,-0.3 -5,-0.2 -1,-0.2 0.818 114.4 44.6 -63.8 -26.1 -43.0 15.2 -19.8 131 143 A A H < S+ 0 0 0 -4,-0.8 3,-0.2 -3,-0.3 -2,-0.2 0.949 128.9 18.5 -82.5 -54.9 -46.8 15.0 -20.2 132 144 A I H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 -0.160 79.3 128.9-112.9 40.1 -47.3 15.3 -24.0 133 145 A G H X + 0 0 2 -4,-0.7 4,-2.1 1,-0.2 3,-0.5 0.929 66.7 64.9 -58.7 -46.6 -43.8 14.4 -25.2 134 146 A G H >> S+ 0 0 1 151,-0.4 4,-1.4 1,-0.2 3,-0.8 0.912 98.5 52.6 -40.5 -59.3 -45.2 11.8 -27.6 135 147 A L H >4>S+ 0 0 0 1,-0.3 5,-2.4 2,-0.2 3,-0.5 0.881 111.6 45.8 -47.0 -47.8 -47.1 14.4 -29.6 136 148 A F H ><5S+ 0 0 17 -4,-1.2 3,-0.6 -3,-0.5 -1,-0.3 0.792 107.5 58.2 -69.1 -27.5 -43.9 16.5 -30.1 137 149 A E H <<5S+ 0 0 118 -4,-2.1 -1,-0.2 -3,-0.8 -2,-0.2 0.747 108.9 44.4 -73.9 -23.4 -41.8 13.5 -31.0 138 150 A K T <<5S- 0 0 106 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.377 112.2-119.6 -99.1 1.8 -44.1 12.6 -33.9 139 151 A D T < 5S+ 0 0 93 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.910 71.9 135.2 58.9 44.5 -44.2 16.2 -35.0 140 152 A L < + 0 0 19 -5,-2.4 133,-0.9 -6,-0.2 2,-0.6 0.212 39.0 96.3-104.3 10.9 -48.0 16.3 -34.5 141 153 A V E +G 272 0C 0 -6,-0.3 131,-0.2 131,-0.2 3,-0.1 -0.901 35.7 168.3-112.3 113.1 -48.1 19.6 -32.8 142 154 A E E S- 0 0 77 129,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.898 73.8 -32.9 -82.6 -46.0 -48.9 22.8 -34.8 143 155 A W E -G 271 0C 70 128,-1.0 128,-2.0 106,-0.2 -1,-0.4 -0.968 53.5-139.5-164.9 168.2 -49.5 24.9 -31.7 144 156 A I E -Gh 270 251C 2 106,-1.8 108,-2.2 -2,-0.3 2,-0.6 -0.952 4.8-151.9-145.2 122.9 -50.7 24.7 -28.1 145 157 A S E -Gh 269 252C 44 124,-2.5 124,-1.9 -2,-0.4 2,-0.3 -0.829 27.1-161.2 -92.2 125.9 -52.8 27.2 -26.1 146 158 A V E +Gh 268 253C 20 106,-3.0 108,-2.0 -2,-0.6 2,-0.4 -0.812 24.0 179.2-114.7 151.1 -52.0 26.9 -22.4 147 159 A A E -Gh 267 254C 40 120,-1.3 120,-3.2 -2,-0.3 2,-0.3 -0.950 22.8-157.8-143.8 120.7 -53.7 27.9 -19.2 148 160 A T E -Gh 266 255C 4 106,-2.0 108,-0.9 -2,-0.4 2,-0.5 -0.767 24.2-158.5-111.1 156.0 -51.9 27.0 -15.9 149 161 A Y E -Gh 265 256C 99 116,-3.6 116,-1.8 -2,-0.3 2,-0.3 -0.828 34.3-164.0-124.7 82.9 -52.8 26.5 -12.3 150 162 A Q E - h 0 257C 1 106,-3.3 108,-2.5 -2,-0.5 110,-0.3 -0.551 12.4-126.5 -87.4 138.2 -49.4 27.0 -10.6 151 163 A A > - 0 0 0 -2,-0.3 3,-1.3 106,-0.2 4,-0.3 -0.313 21.3-118.7 -73.7 155.4 -48.2 26.1 -7.1 152 164 A A G >> S+ 0 0 0 108,-3.1 3,-1.6 1,-0.3 4,-1.2 0.754 105.3 75.4 -65.7 -26.1 -46.7 28.5 -4.6 153 165 A S G 34 S+ 0 0 3 108,-2.1 -1,-0.3 107,-0.3 109,-0.1 0.767 85.2 65.6 -59.4 -24.0 -43.4 26.5 -4.5 154 166 A G G <4 S+ 0 0 34 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.802 105.5 42.3 -69.0 -26.9 -42.5 28.0 -7.9 155 167 A A T <4 S- 0 0 42 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.684 125.7 -84.1 -91.4 -21.7 -42.3 31.4 -6.3 156 168 A G X - 0 0 20 -4,-1.2 4,-1.2 1,-0.1 -1,-0.3 -0.632 36.9 -74.4 138.3 165.1 -40.4 30.3 -3.2 157 169 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.874 124.1 51.9 -61.8 -40.7 -40.5 28.8 0.3 158 170 A K H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.822 106.0 57.2 -68.2 -26.6 -41.8 32.0 1.9 159 171 A N H > S+ 0 0 20 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.825 105.0 50.7 -70.5 -31.9 -44.6 32.1 -0.6 160 172 A M H X S+ 0 0 32 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.933 111.1 47.5 -70.3 -45.0 -45.7 28.6 0.5 161 173 A R H X S+ 0 0 184 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.897 110.9 53.1 -62.0 -39.8 -45.8 29.7 4.1 162 174 A E H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.956 107.2 50.4 -61.3 -50.0 -47.7 32.8 3.1 163 175 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.914 111.7 49.4 -53.5 -44.0 -50.3 30.7 1.3 164 176 A L H X S+ 0 0 87 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.883 109.8 49.0 -66.9 -37.4 -50.7 28.5 4.4 165 177 A S H X S+ 0 0 63 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.902 109.8 54.5 -66.9 -39.4 -51.1 31.4 6.8 166 178 A Q H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.933 109.2 44.9 -59.6 -48.2 -53.7 32.8 4.4 167 179 A M H X S+ 0 0 85 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.910 112.2 55.7 -62.5 -40.4 -55.8 29.7 4.4 168 180 A G H X S+ 0 0 23 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.947 109.7 42.8 -56.2 -53.0 -55.3 29.5 8.2 169 181 A L H X S+ 0 0 45 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.818 108.6 60.0 -65.2 -32.5 -56.7 33.0 8.8 170 182 A L H < S+ 0 0 19 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.3 38.0 -65.9 -35.9 -59.6 32.5 6.3 171 183 A E H >< S+ 0 0 82 -4,-1.7 3,-2.3 -3,-0.3 4,-0.3 0.910 112.2 56.2 -80.0 -44.7 -61.0 29.6 8.3 172 184 A Q H >< S+ 0 0 120 -4,-2.4 3,-0.6 1,-0.3 4,-0.3 0.771 96.4 68.1 -57.5 -24.2 -60.2 31.0 11.7 173 185 A A T 3< S+ 0 0 38 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.678 119.6 18.3 -70.1 -16.3 -62.3 34.0 10.6 174 186 A V T <> S+ 0 0 3 -3,-2.3 4,-2.3 -4,-0.2 -1,-0.2 0.054 84.5 127.9-140.6 24.0 -65.4 31.8 10.7 175 187 A S H <> S+ 0 0 45 -3,-0.6 4,-1.0 -4,-0.3 -3,-0.1 0.858 78.9 43.7 -53.8 -41.6 -64.3 28.8 12.8 176 188 A S H >> S+ 0 0 81 -4,-0.3 4,-1.2 1,-0.2 3,-0.5 0.941 112.3 52.2 -71.8 -44.7 -67.3 29.0 15.2 177 189 A E H 34 S+ 0 0 34 1,-0.2 6,-0.4 2,-0.2 -2,-0.2 0.837 105.1 56.7 -59.9 -34.6 -69.8 29.5 12.4 178 190 A L H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 102.3 54.0 -67.0 -34.9 -68.5 26.5 10.5 179 191 A K H << S+ 0 0 173 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.802 90.9 86.6 -67.6 -29.1 -69.1 24.1 13.4 180 192 A D >< - 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