==== 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 09-FEB-03 1NX6 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.BLANCO,R.A.MOORE,R.E.VIOLA . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.0 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 30.3 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 0 1 1 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 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 . 0 2 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 . 2 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 0 147 0, 0.0 29,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 173.7 -13.9 9.5 -10.0 2 2 A K - 0 0 82 27,-0.4 29,-2.6 355,-0.3 2,-0.8 -0.326 360.0-133.0 -63.6 133.9 -15.4 12.9 -11.0 3 3 A N E -a 31 0A 59 27,-0.2 52,-2.3 50,-0.1 53,-1.7 -0.826 29.1-170.8 -93.1 108.9 -15.0 15.8 -8.5 4 4 A V E -ab 32 56A 0 27,-2.0 29,-2.7 -2,-0.8 2,-0.4 -0.889 11.5-152.8-109.8 130.8 -18.4 17.6 -8.2 5 5 A G E -ab 33 57A 0 51,-2.6 53,-3.3 -2,-0.4 2,-0.5 -0.795 6.8-156.4-102.3 138.1 -19.2 20.8 -6.4 6 6 A F E +ab 34 58A 2 27,-2.5 29,-2.6 -2,-0.4 2,-0.4 -0.969 12.7 176.9-118.7 123.3 -22.6 21.7 -4.9 7 7 A I E + b 0 59A 2 51,-2.5 53,-2.5 -2,-0.5 54,-0.3 -0.971 69.1 20.0-123.2 140.6 -23.8 25.2 -4.3 8 8 A G S > S+ 0 0 7 -2,-0.4 3,-0.6 27,-0.3 6,-0.4 0.779 74.9 139.4 73.2 28.9 -27.3 26.2 -3.0 9 9 A W T 3 + 0 0 64 26,-0.3 9,-0.2 1,-0.2 -2,-0.1 0.581 65.0 57.9 -77.7 -15.1 -27.8 22.7 -1.6 10 10 A R T 3 S+ 0 0 202 4,-0.1 -1,-0.2 5,-0.1 26,-0.0 0.468 90.3 87.9 -93.8 -7.7 -29.5 24.1 1.6 11 11 A G S <> S- 0 0 38 -3,-0.6 4,-2.3 1,-0.0 5,-0.1 -0.120 97.8 -91.5 -78.8-175.3 -32.3 26.0 -0.3 12 12 A M H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.980 125.4 38.5 -65.1 -56.8 -35.6 24.4 -1.2 13 13 A V H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 118.8 51.4 -60.3 -42.5 -34.7 23.2 -4.8 14 14 A G H > S+ 0 0 0 -6,-0.4 4,-2.6 46,-0.3 -1,-0.2 0.883 107.3 51.8 -62.0 -40.8 -31.2 22.2 -3.5 15 15 A S H X S+ 0 0 48 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.841 109.0 50.2 -66.3 -33.0 -32.7 20.2 -0.5 16 16 A V H X S+ 0 0 19 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.886 111.2 50.6 -71.9 -35.2 -35.0 18.3 -2.9 17 17 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.940 110.5 47.9 -66.0 -47.7 -31.9 17.5 -5.1 18 18 A M H X S+ 0 0 21 -4,-2.6 4,-2.0 -9,-0.2 -2,-0.2 0.896 113.8 47.6 -60.5 -42.5 -29.9 16.3 -2.0 19 19 A D H X S+ 0 0 99 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.895 114.0 45.8 -66.2 -42.9 -32.8 14.1 -0.9 20 20 A R H X S+ 0 0 21 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.833 112.7 50.7 -70.0 -34.7 -33.4 12.6 -4.4 21 21 A M H <>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 6,-0.4 0.872 111.4 48.6 -69.8 -36.9 -29.6 12.0 -4.9 22 22 A S H ><5S+ 0 0 67 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.891 109.7 53.1 -68.6 -40.2 -29.5 10.2 -1.5 23 23 A Q H 3<5S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 115.2 39.1 -63.3 -38.5 -32.5 8.1 -2.4 24 24 A E T 3<5S- 0 0 93 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.355 110.1-120.1 -96.0 5.5 -30.9 6.9 -5.7 25 25 A N T X 5 + 0 0 89 -3,-0.8 3,-0.8 -4,-0.3 4,-0.2 0.874 58.7 152.1 55.1 45.0 -27.4 6.6 -4.2 26 26 A D G > < + 0 0 14 -5,-2.8 3,-0.8 1,-0.2 -4,-0.1 0.679 60.5 68.3 -75.8 -19.9 -25.9 9.1 -6.6 27 27 A F G > S+ 0 0 54 -6,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.624 86.6 70.1 -74.7 -13.9 -23.1 10.1 -4.1 28 28 A E G < S+ 0 0 134 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.715 97.8 49.8 -73.5 -23.7 -21.5 6.7 -4.5 29 29 A N G < S+ 0 0 88 -3,-0.8 -27,-0.4 -4,-0.2 2,-0.3 0.344 113.6 40.0 -99.2 3.8 -20.4 7.5 -8.1 30 30 A L S < S- 0 0 5 -3,-0.6 -27,-0.2 -29,-0.1 327,-0.0 -0.933 76.3-113.6-147.1 168.3 -18.8 10.9 -7.4 31 31 A N E -a 3 0A 69 -29,-2.6 -27,-2.0 -2,-0.3 2,-0.3 -0.904 40.4-148.9-107.6 101.8 -16.6 12.8 -5.0 32 32 A P E -a 4 0A 53 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.532 16.1-172.2 -80.8 133.0 -18.8 15.6 -3.5 33 33 A V E -a 5 0A 35 -29,-2.7 -27,-2.5 -2,-0.3 2,-0.5 -0.991 16.0-148.6-122.4 117.3 -17.4 19.0 -2.4 34 34 A F E -a 6 0A 63 -2,-0.5 9,-1.6 -29,-0.2 2,-0.3 -0.782 12.5-163.7 -95.0 129.6 -20.0 21.2 -0.6 35 35 A F E -f 43 0B 1 -29,-2.6 -26,-0.3 -2,-0.5 -27,-0.3 -0.758 5.3-169.3-110.6 158.2 -19.9 25.0 -0.8 36 36 A T E -f 44 0B 34 7,-2.3 9,-2.9 -2,-0.3 10,-0.3 -0.950 27.1-148.5-143.1 155.3 -21.5 27.8 1.2 37 37 A T S S+ 0 0 59 -2,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.570 72.2 108.0 -96.0 -15.6 -21.9 31.6 0.8 38 38 A S - 0 0 62 1,-0.1 -2,-0.1 -3,-0.0 7,-0.1 -0.202 60.8-154.0 -65.9 147.4 -21.7 31.9 4.6 39 39 A Q 0 0 209 1,-0.1 -1,-0.1 5,-0.1 5,-0.0 0.123 360.0 360.0-105.3 14.7 -18.7 33.3 6.5 40 40 A A 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.884 360.0 360.0 -96.2 360.0 -19.6 31.2 9.6 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 55 A L 0 0 153 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 0.000 360.0 360.0 360.0 141.4 -17.2 23.7 4.1 43 56 A K E -f 35 0B 85 -9,-1.6 -7,-2.3 7,-0.0 2,-0.4 -0.756 360.0 -94.3-112.0 159.0 -15.6 25.8 1.3 44 57 A S E > -f 36 0B 52 -2,-0.3 3,-1.4 -9,-0.2 -7,-0.2 -0.598 19.8-148.8 -77.5 127.3 -16.5 29.3 0.0 45 58 A A T 3 S+ 0 0 0 -9,-2.9 -8,-0.1 -2,-0.4 -1,-0.1 0.618 98.9 55.1 -68.3 -12.8 -18.8 29.5 -3.0 46 59 A F T 3 S+ 0 0 90 -10,-0.3 2,-1.2 -9,-0.0 -1,-0.3 0.407 76.9 108.6-100.9 -1.1 -17.0 32.7 -4.1 47 60 A D X> - 0 0 70 -3,-1.4 4,-1.4 1,-0.2 3,-0.5 -0.682 48.7-171.6 -82.6 96.9 -13.5 31.1 -4.1 48 61 A I H 3> S+ 0 0 29 -2,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.807 82.4 55.8 -59.1 -32.9 -12.7 30.9 -7.9 49 62 A E H 3> S+ 0 0 114 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.833 107.1 48.0 -72.4 -32.9 -9.6 28.8 -7.2 50 63 A E H <4 S+ 0 0 41 -3,-0.5 4,-0.2 1,-0.2 -1,-0.2 0.776 112.9 49.3 -76.3 -28.1 -11.4 26.1 -5.2 51 64 A L H >< S+ 0 0 0 -4,-1.4 3,-0.7 1,-0.2 -2,-0.2 0.712 100.6 65.1 -82.0 -22.4 -14.1 25.9 -8.0 52 65 A K H 3< S+ 0 0 90 -4,-1.2 27,-0.2 1,-0.2 -1,-0.2 0.761 93.1 62.1 -71.0 -25.3 -11.4 25.6 -10.7 53 66 A K T 3< S+ 0 0 135 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.687 89.2 94.0 -73.7 -21.3 -10.3 22.2 -9.2 54 67 A L < - 0 0 9 -3,-0.7 26,-0.2 -4,-0.2 -50,-0.2 -0.422 60.0-157.0 -80.2 148.6 -13.7 20.7 -10.0 55 68 A D S S+ 0 0 64 -52,-2.3 26,-2.9 1,-0.3 2,-0.3 0.779 85.6 21.7 -87.4 -38.1 -14.8 18.7 -13.0 56 69 A I E -bc 4 81A 0 -53,-1.7 -51,-2.6 24,-0.2 2,-0.4 -0.986 64.1-160.7-134.7 142.5 -18.5 19.5 -12.5 57 70 A I E -bc 5 82A 0 24,-2.6 26,-3.8 -2,-0.3 2,-0.5 -0.998 5.7-167.5-125.7 124.6 -20.4 22.3 -10.7 58 71 A V E -bc 6 83A 1 -53,-3.3 -51,-2.5 -2,-0.4 2,-0.4 -0.966 12.6-176.1-116.3 115.7 -24.0 21.9 -9.7 59 72 A T E +bc 7 84A 0 24,-2.9 26,-1.6 -2,-0.5 27,-0.4 -0.945 32.2 159.5-124.0 132.4 -25.8 25.0 -8.5 60 73 A C + 0 0 25 -53,-2.5 -46,-0.3 -2,-0.4 -52,-0.2 -0.014 56.6 106.2-125.7 18.5 -29.3 25.7 -7.1 61 74 A Q S S- 0 0 80 -54,-0.3 2,-0.2 1,-0.2 3,-0.1 0.848 82.9-109.8 -70.3 -36.1 -28.1 29.0 -5.5 62 75 A G > - 0 0 24 1,-0.1 4,-1.7 2,-0.1 3,-0.5 -0.580 28.7 -66.6 127.8 171.1 -29.8 31.2 -8.1 63 76 A G H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.820 120.9 58.6 -64.6 -37.7 -29.3 33.6 -11.0 64 77 A D H 4 S+ 0 0 143 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.781 109.8 45.2 -65.0 -30.5 -27.5 36.4 -9.0 65 78 A Y H >> S+ 0 0 13 -3,-0.5 4,-3.0 2,-0.2 3,-0.5 0.896 113.7 49.6 -75.8 -48.3 -24.8 34.0 -7.9 66 79 A T H 3X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.919 107.9 52.2 -57.4 -48.1 -24.4 32.5 -11.4 67 80 A N H 3< S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.691 117.8 40.3 -65.9 -17.7 -24.2 35.9 -13.1 68 81 A E H <> S+ 0 0 98 -3,-0.5 4,-0.5 -4,-0.4 -2,-0.2 0.890 125.1 30.1 -94.7 -51.5 -21.4 36.9 -10.7 69 82 A V H X S+ 0 0 2 -4,-3.0 4,-2.1 2,-0.1 5,-0.2 0.873 109.5 63.2 -80.3 -42.6 -19.3 33.6 -10.4 70 83 A Y H X S+ 0 0 22 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.888 103.5 45.6 -54.7 -50.0 -19.7 31.9 -13.8 71 84 A P H > S+ 0 0 71 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.863 113.7 50.6 -66.6 -29.4 -18.0 34.6 -16.0 72 85 A K H < S+ 0 0 115 -4,-0.5 -2,-0.2 2,-0.2 4,-0.2 0.892 113.1 45.7 -69.9 -40.2 -15.1 34.9 -13.6 73 86 A L H ><>S+ 0 0 0 -4,-2.1 5,-1.1 1,-0.2 3,-0.8 0.822 111.8 49.9 -73.2 -35.7 -14.6 31.2 -13.6 74 87 A K H ><5S+ 0 0 67 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.705 104.2 62.5 -76.2 -18.2 -14.8 30.8 -17.4 75 88 A A T 3<5S+ 0 0 85 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.507 94.8 60.3 -82.8 -9.1 -12.3 33.7 -17.7 76 89 A T T < 5S- 0 0 49 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.503 121.3-103.5 -94.7 -8.2 -9.6 31.6 -15.9 77 90 A G T < 5 + 0 0 62 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.567 56.1 173.8 95.9 13.3 -9.8 28.9 -18.6 78 91 A W < - 0 0 19 -5,-1.1 -1,-0.2 1,-0.1 -25,-0.1 -0.318 17.3-166.6 -57.7 125.2 -11.8 26.3 -16.6 79 92 A D + 0 0 127 -27,-0.2 -1,-0.1 -2,-0.1 -24,-0.1 0.280 48.9 107.4 -99.7 9.0 -12.7 23.3 -18.9 80 93 A G S S- 0 0 9 -26,-0.2 2,-0.4 1,-0.1 -24,-0.2 -0.096 72.2 -85.8 -84.5-176.1 -15.4 21.7 -16.6 81 94 A Y E -c 56 0A 45 -26,-2.9 -24,-2.6 36,-0.1 2,-0.6 -0.733 26.3-156.8 -96.6 130.3 -19.2 21.3 -16.6 82 95 A W E -cd 57 117A 0 34,-2.9 36,-2.8 -2,-0.4 2,-0.6 -0.937 10.1-172.5-106.9 116.7 -21.6 23.9 -15.2 83 96 A V E -cd 58 118A 0 -26,-3.8 -24,-2.9 -2,-0.6 2,-0.3 -0.962 12.7-179.7-111.7 117.8 -25.0 22.4 -14.2 84 97 A D E -cd 59 119A 0 34,-2.0 36,-3.1 -2,-0.6 -24,-0.2 -0.904 34.1-168.0-124.5 148.6 -27.5 25.1 -13.2 85 98 A A + 0 0 22 -26,-1.6 -25,-0.1 -2,-0.3 -1,-0.1 0.674 69.6 92.4 -99.4 -25.5 -31.2 25.1 -12.0 86 99 A A S S- 0 0 15 -27,-0.4 3,-0.5 -24,-0.1 4,-0.2 -0.234 79.5-125.8 -71.1 157.5 -31.5 28.9 -12.5 87 100 A S S > S+ 0 0 41 1,-0.2 3,-2.0 2,-0.1 4,-0.5 0.772 83.6 99.0 -72.9 -29.2 -32.8 30.6 -15.7 88 101 A A T 3 S+ 0 0 28 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.654 93.3 26.7 -27.2 -48.9 -29.7 32.9 -16.1 89 102 A L T > S+ 0 0 7 -3,-0.5 3,-1.5 1,-0.1 -1,-0.3 0.424 89.0 101.7-106.2 0.0 -27.9 30.8 -18.7 90 103 A R T < S+ 0 0 13 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.838 84.0 47.6 -52.1 -43.1 -30.8 28.9 -20.5 91 104 A M T 3 S+ 0 0 82 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.3 0.022 86.7 115.2 -94.0 28.3 -30.9 31.1 -23.6 92 105 A K X - 0 0 107 -3,-1.5 3,-1.0 1,-0.1 -3,-0.0 -0.669 69.5-127.8 -95.6 153.4 -27.1 31.2 -24.3 93 106 A D T 3 S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.790 109.7 49.7 -68.7 -32.1 -25.5 29.7 -27.4 94 107 A D T 3 S+ 0 0 69 -5,-0.1 23,-0.8 21,-0.0 22,-0.4 0.032 103.2 81.7 -96.3 24.5 -23.0 27.6 -25.4 95 108 A A E < -e 117 0A 3 -3,-1.0 2,-0.4 21,-0.1 23,-0.2 -0.967 60.0-156.8-133.7 144.1 -25.8 26.2 -23.2 96 109 A I E -e 118 0A 17 21,-1.8 23,-2.9 -2,-0.3 2,-0.6 -0.965 18.6-130.8-120.8 138.1 -28.3 23.4 -23.5 97 110 A I E -e 119 0A 1 -2,-0.4 2,-0.3 143,-0.3 23,-0.2 -0.821 31.9-139.4 -90.1 118.7 -31.6 23.1 -21.6 98 111 A V E +e 120 0A 2 21,-2.6 23,-1.0 -2,-0.6 251,-0.1 -0.615 49.5 134.1 -90.6 142.2 -31.9 19.6 -20.1 99 112 A L >> - 0 0 0 -2,-0.3 4,-2.6 21,-0.1 3,-2.0 -0.349 32.2-168.4-176.0 71.5 -34.9 17.3 -19.8 100 113 A D H 3> S+ 0 0 15 1,-0.3 4,-0.8 2,-0.2 5,-0.1 0.638 78.2 60.8 -48.2 -32.7 -33.5 13.9 -20.9 101 114 A P H 34 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 3,-0.0 0.772 122.0 28.8 -70.6 -17.1 -36.6 11.8 -21.4 102 115 A V H <4 S+ 0 0 25 -3,-2.0 -2,-0.2 1,-0.1 3,-0.2 0.836 134.5 26.4-102.1 -50.4 -37.6 14.4 -24.0 103 116 A N H X + 0 0 5 -4,-2.6 4,-1.8 1,-0.2 -3,-0.2 -0.242 66.7 131.2-117.2 49.4 -34.3 15.7 -25.4 104 117 A Q H X S+ 0 0 67 -4,-0.8 4,-2.9 1,-0.2 5,-0.2 0.899 78.0 55.4 -64.0 -37.3 -31.6 13.0 -25.0 105 118 A H H > S+ 0 0 146 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 107.4 48.8 -64.5 -34.9 -30.6 13.5 -28.6 106 119 A V H > S+ 0 0 35 2,-0.2 4,-1.0 -3,-0.2 -1,-0.2 0.888 113.6 47.2 -72.1 -37.8 -30.0 17.2 -28.1 107 120 A I H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 3,-0.5 0.938 110.8 50.9 -68.2 -48.2 -27.9 16.6 -25.0 108 121 A S H X S+ 0 0 41 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.832 110.1 50.1 -59.1 -37.0 -25.8 13.8 -26.6 109 122 A E H X S+ 0 0 91 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.757 109.8 51.3 -73.7 -26.6 -25.0 16.1 -29.6 110 123 A G H X>S+ 0 0 2 -4,-1.0 5,-2.8 -3,-0.5 4,-1.5 0.807 105.0 55.4 -78.6 -31.4 -24.0 18.9 -27.2 111 124 A L H <5S+ 0 0 58 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.742 112.9 44.2 -70.7 -24.7 -21.7 16.5 -25.3 112 125 A K H <5S+ 0 0 157 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.881 110.2 52.7 -85.0 -44.3 -20.0 15.8 -28.7 113 126 A K H <5S- 0 0 148 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.758 119.8-104.8 -64.1 -29.6 -19.8 19.4 -29.9 114 127 A G T <5 + 0 0 42 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.680 58.5 163.7 109.2 25.5 -18.1 20.5 -26.6 115 128 A I < - 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