==== 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 20-JUN-03 1PS8 . COMPND 2 MOLECULE: ASPARTATE SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.BLANCO,R.A.MOORE,C.R.FAEHNLE,D.M.COE,R.E.VIOLA . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 69.2 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 . 30 8.4 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 . 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 29.4 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 3 0 1 0 1 1 1 2 3 0 0 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 . 2 0 0 0 1 0 1 0 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 0 162 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 177.1 71.0 -36.9 -38.4 2 2 A K - 0 0 80 27,-0.5 29,-3.3 355,-0.3 2,-0.9 -0.422 360.0-134.0 -68.1 135.8 72.4 -40.3 -39.5 3 3 A N E -a 31 0A 54 27,-0.2 52,-2.5 -2,-0.1 53,-2.1 -0.828 31.4-178.4 -94.2 105.5 71.9 -43.2 -37.1 4 4 A V E -ab 32 56A 0 27,-1.9 29,-1.9 -2,-0.9 2,-0.4 -0.914 14.7-153.2-113.4 128.7 75.2 -45.0 -36.9 5 5 A G E -ab 33 57A 0 51,-3.2 53,-3.4 -2,-0.5 2,-0.4 -0.785 8.0-153.3 -99.3 142.2 75.9 -48.1 -34.9 6 6 A F E -ab 34 58A 3 27,-2.6 29,-2.2 -2,-0.4 2,-0.4 -0.956 10.8-175.3-118.3 130.2 79.3 -49.0 -33.5 7 7 A I E + b 0 59A 2 51,-2.4 53,-2.6 -2,-0.4 54,-0.3 -0.971 69.5 11.4-124.9 138.3 80.6 -52.5 -32.8 8 8 A G S > S+ 0 0 12 -2,-0.4 3,-0.8 27,-0.3 6,-0.3 0.857 74.5 147.2 67.5 34.4 83.9 -53.5 -31.2 9 9 A W T 3 + 0 0 67 26,-0.3 9,-0.2 1,-0.2 -1,-0.1 0.434 66.2 57.1 -80.6 -1.5 84.6 -49.9 -30.2 10 10 A R T 3 S+ 0 0 200 4,-0.1 -1,-0.2 8,-0.0 -2,-0.0 0.426 85.8 95.8-108.0 -2.6 86.4 -51.1 -27.1 11 11 A G S <> S- 0 0 39 -3,-0.8 4,-2.3 1,-0.1 5,-0.2 -0.123 96.7 -90.9 -74.5-178.9 89.0 -53.2 -28.9 12 12 A M H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.980 128.1 36.2 -61.0 -57.2 92.4 -51.8 -29.7 13 13 A V H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 116.6 54.9 -63.1 -39.0 91.5 -50.4 -33.2 14 14 A G H > S+ 0 0 1 -6,-0.3 4,-2.6 46,-0.3 -1,-0.2 0.886 106.9 52.0 -61.5 -36.6 88.0 -49.5 -32.0 15 15 A S H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.901 106.8 50.7 -66.6 -42.1 89.6 -47.5 -29.2 16 16 A V H X S+ 0 0 20 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.864 112.3 49.6 -63.3 -35.4 91.9 -45.5 -31.5 17 17 A L H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.941 109.3 49.8 -68.8 -47.5 88.8 -44.8 -33.6 18 18 A M H X S+ 0 0 24 -4,-2.6 4,-2.1 -9,-0.2 -2,-0.2 0.916 113.8 47.0 -57.4 -43.8 86.8 -43.6 -30.7 19 19 A D H X S+ 0 0 96 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.903 111.9 48.7 -65.7 -43.2 89.6 -41.3 -29.6 20 20 A R H X S+ 0 0 22 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.901 112.0 50.0 -62.6 -42.5 90.2 -39.9 -33.0 21 21 A M H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 6,-0.4 0.878 111.2 48.9 -64.6 -38.9 86.5 -39.2 -33.4 22 22 A S H ><5S+ 0 0 67 -4,-2.1 3,-1.8 -5,-0.2 -2,-0.2 0.952 108.9 52.6 -64.3 -48.6 86.4 -37.5 -30.0 23 23 A Q H 3<5S+ 0 0 128 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.755 117.4 38.7 -56.6 -30.0 89.4 -35.3 -30.9 24 24 A E T 3<5S- 0 0 88 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.199 108.0-122.1-107.9 14.4 87.7 -34.2 -34.1 25 25 A N T < 5 + 0 0 107 -3,-1.8 3,-0.3 -4,-0.1 -3,-0.2 0.892 56.1 152.1 44.7 55.2 84.1 -33.9 -32.7 26 26 A D > < + 0 0 7 -5,-2.3 3,-1.4 1,-0.2 -4,-0.1 0.723 61.0 67.9 -84.8 -21.0 82.6 -36.4 -35.1 27 27 A F G > S+ 0 0 52 -6,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.712 86.7 67.9 -70.6 -21.1 79.8 -37.4 -32.8 28 28 A E G 3 S+ 0 0 140 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.450 99.6 52.6 -76.8 -0.0 78.2 -34.0 -33.0 29 29 A N G < S+ 0 0 73 -3,-1.4 -27,-0.5 1,-0.0 2,-0.3 0.303 113.4 34.5-116.0 6.2 77.4 -34.9 -36.7 30 30 A L S < S- 0 0 7 -3,-1.1 -27,-0.2 -29,-0.2 -1,-0.0 -0.971 77.3-108.7-154.2 166.8 75.6 -38.2 -36.1 31 31 A N E -a 3 0A 72 -29,-3.3 -27,-1.9 -2,-0.3 2,-0.2 -0.854 41.7-152.4-102.7 99.2 73.4 -40.2 -33.8 32 32 A P E -a 4 0A 44 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 -0.458 15.5-176.0 -76.0 141.6 75.7 -42.9 -32.2 33 33 A V E -a 5 0A 24 -29,-1.9 -27,-2.6 -2,-0.2 2,-0.4 -0.979 13.8-149.0-138.0 120.6 74.4 -46.2 -31.0 34 34 A F E -a 6 0A 54 -2,-0.4 9,-1.6 -29,-0.2 2,-0.3 -0.757 11.3-170.0 -99.4 140.6 76.7 -48.6 -29.2 35 35 A F E -f 43 0B 1 -29,-2.2 -27,-0.3 -2,-0.4 -26,-0.3 -0.745 1.8-165.5-117.7 165.8 76.5 -52.4 -29.3 36 36 A T E -f 44 0B 40 7,-1.5 9,-3.5 -2,-0.3 10,-0.4 -0.951 27.8-144.4-147.6 163.1 78.3 -55.1 -27.3 37 37 A T S S+ 0 0 68 -2,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.372 74.1 106.3-106.5 -4.9 78.9 -58.8 -27.5 38 38 A S - 0 0 62 1,-0.1 -2,-0.1 2,-0.0 7,-0.1 -0.273 57.2-159.6 -74.6 160.8 78.7 -59.0 -23.7 39 39 A Q 0 0 204 5,-0.1 -1,-0.1 -2,-0.0 5,-0.0 -0.024 360.0 360.0-124.9 20.9 75.8 -60.4 -21.7 40 40 A A 0 0 134 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.556 360.0 360.0 -72.7 360.0 76.9 -58.4 -18.6 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 0 152 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 116.7 73.6 -50.7 -24.6 43 56 A K E -f 35 0B 82 -9,-1.6 -7,-1.5 1,-0.1 2,-0.5 -0.226 360.0 -97.5 -80.6 169.5 72.3 -53.0 -27.4 44 57 A S E > -f 36 0B 51 -9,-0.2 3,-2.0 1,-0.1 -7,-0.2 -0.743 16.6-145.6 -90.2 124.8 73.4 -56.5 -28.6 45 58 A A T 3 S+ 0 0 0 -9,-3.5 -8,-0.1 -2,-0.5 -1,-0.1 0.575 103.1 53.8 -64.4 -6.0 75.8 -56.7 -31.5 46 59 A F T 3 S+ 0 0 97 -10,-0.4 2,-1.3 1,-0.1 -1,-0.3 0.431 77.0 105.6-108.2 -0.6 73.9 -59.8 -32.4 47 60 A D <> - 0 0 63 -3,-2.0 4,-1.7 1,-0.2 3,-0.5 -0.668 51.0-168.8 -83.1 92.8 70.4 -58.4 -32.5 48 61 A I H > S+ 0 0 28 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.810 81.6 55.8 -51.7 -37.1 69.6 -58.2 -36.2 49 62 A E H > S+ 0 0 116 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.905 107.2 46.0 -66.2 -44.4 66.5 -56.1 -35.7 50 63 A E H 4 S+ 0 0 44 -3,-0.5 4,-0.3 1,-0.2 3,-0.2 0.825 115.0 50.8 -66.3 -30.6 68.2 -53.2 -33.7 51 64 A L H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.827 101.8 59.6 -75.3 -33.4 70.9 -53.3 -36.4 52 65 A K H 3< S+ 0 0 90 -4,-1.8 27,-0.3 1,-0.2 -1,-0.2 0.711 96.4 64.0 -68.3 -20.4 68.4 -53.1 -39.2 53 66 A K T 3< S+ 0 0 133 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.649 86.4 93.5 -77.7 -16.8 67.2 -49.8 -37.9 54 67 A L < - 0 0 13 -3,-1.1 26,-0.2 -4,-0.3 -50,-0.2 -0.425 65.6-147.9 -82.6 152.5 70.5 -48.0 -38.4 55 68 A D S S+ 0 0 57 -52,-2.5 26,-2.3 1,-0.3 2,-0.3 0.791 88.3 19.4 -83.2 -33.0 71.6 -46.0 -41.4 56 69 A I E -bc 4 81A 2 -53,-2.1 -51,-3.2 24,-0.2 2,-0.5 -1.000 61.9-156.5-144.1 139.6 75.2 -47.0 -40.9 57 70 A I E -bc 5 82A 0 24,-2.9 26,-3.2 -2,-0.3 2,-0.5 -0.969 11.0-171.4-115.2 123.7 77.0 -49.8 -39.2 58 71 A V E -bc 6 83A 2 -53,-3.4 -51,-2.4 -2,-0.5 2,-0.4 -0.977 12.4-178.9-116.8 121.9 80.7 -49.2 -38.2 59 72 A T E +bc 7 84A 0 24,-2.5 26,-1.7 -2,-0.5 27,-0.4 -0.978 33.2 164.7-132.2 134.5 82.5 -52.3 -36.9 60 73 A C + 0 0 25 -53,-2.6 -46,-0.3 -2,-0.4 -52,-0.2 0.051 57.0 109.0-122.3 15.6 86.0 -52.9 -35.7 61 74 A Q S S- 0 0 75 -54,-0.3 2,-0.2 1,-0.2 3,-0.1 0.884 78.2-113.2 -64.3 -43.1 84.9 -56.3 -34.2 62 75 A G > - 0 0 23 1,-0.1 4,-2.1 2,-0.1 5,-0.2 -0.635 32.0 -57.3 131.8 170.1 86.7 -58.5 -36.7 63 76 A G H > S+ 0 0 27 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.877 123.0 51.5 -53.2 -47.6 86.4 -61.1 -39.5 64 77 A D H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.969 110.5 47.6 -58.0 -56.3 84.2 -63.6 -37.6 65 78 A Y H >> S+ 0 0 11 1,-0.2 4,-3.3 2,-0.2 3,-0.9 0.953 115.3 46.8 -46.6 -59.5 81.6 -61.2 -36.5 66 79 A T H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.906 111.8 49.2 -51.3 -50.5 81.4 -59.7 -40.0 67 80 A N H 3< S+ 0 0 96 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.755 117.7 42.6 -65.4 -21.5 81.2 -63.1 -41.7 68 81 A E H << S+ 0 0 105 -4,-2.0 4,-0.5 -3,-0.9 -2,-0.2 0.852 126.4 27.2 -90.7 -40.3 78.5 -64.1 -39.2 69 82 A V H X S+ 0 0 3 -4,-3.3 4,-2.6 -5,-0.2 5,-0.2 0.830 107.5 68.3 -94.0 -35.7 76.3 -60.9 -39.1 70 83 A Y H X S+ 0 0 22 -4,-2.4 4,-2.5 -5,-0.4 5,-0.3 0.954 106.2 39.6 -50.0 -61.8 76.9 -59.2 -42.5 71 84 A P H > S+ 0 0 66 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.902 113.9 55.7 -57.0 -41.3 75.1 -61.9 -44.6 72 85 A K H 4 S+ 0 0 114 -4,-0.5 4,-0.4 1,-0.2 -2,-0.2 0.905 111.4 43.6 -57.3 -44.0 72.4 -62.2 -42.0 73 86 A L H ><>S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 5,-1.0 0.946 109.9 53.3 -67.9 -50.6 71.6 -58.5 -42.1 74 87 A K H ><5S+ 0 0 67 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.752 100.3 66.7 -57.4 -22.9 71.7 -58.2 -45.9 75 88 A A T 3<5S+ 0 0 83 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.751 91.7 59.6 -71.0 -24.0 69.2 -61.0 -45.9 76 89 A T T < 5S- 0 0 47 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.339 119.4-108.6 -86.8 8.5 66.6 -58.8 -44.3 77 90 A G T < 5 + 0 0 57 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.534 54.2 178.6 78.3 4.3 66.8 -56.4 -47.2 78 91 A W < - 0 0 16 -5,-1.0 -1,-0.2 1,-0.1 -25,-0.1 -0.065 18.5-159.6 -40.5 135.6 68.6 -53.9 -45.0 79 92 A D + 0 0 126 -27,-0.3 -1,-0.1 -3,-0.1 -24,-0.1 0.490 49.4 111.9-102.4 -5.6 69.4 -50.8 -47.1 80 93 A G - 0 0 8 -26,-0.2 2,-0.3 -28,-0.2 -24,-0.2 0.096 68.3 -95.6 -69.2 176.7 72.2 -49.3 -44.9 81 94 A Y E -c 56 0A 52 -26,-2.3 -24,-2.9 36,-0.1 2,-0.5 -0.738 25.3-153.6 -95.4 140.0 75.9 -48.8 -45.2 82 95 A W E -cd 57 117A 0 34,-3.1 36,-3.4 -2,-0.3 2,-0.6 -0.958 9.6-174.5-117.8 113.9 78.5 -51.2 -43.7 83 96 A V E +cd 58 118A 0 -26,-3.2 -24,-2.5 -2,-0.5 2,-0.4 -0.951 14.7 177.0-110.1 116.4 81.9 -49.7 -42.8 84 97 A D E -cd 59 119A 0 34,-2.5 36,-2.3 -2,-0.6 -24,-0.2 -0.942 31.3-167.8-126.4 143.5 84.3 -52.4 -41.7 85 98 A A + 0 0 19 -26,-1.7 -25,-0.1 -2,-0.4 -1,-0.1 0.682 69.1 90.5 -97.6 -24.8 88.0 -52.4 -40.7 86 99 A A S S- 0 0 18 -27,-0.4 3,-0.4 1,-0.1 34,-0.2 -0.206 82.3-125.6 -64.8 163.9 88.4 -56.2 -40.8 87 100 A S S > S+ 0 0 50 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.540 80.1 109.8 -91.4 -4.2 89.6 -57.7 -44.1 88 101 A A T 3 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.749 91.1 24.6 -39.3 -37.7 86.6 -60.1 -44.3 89 102 A L T 3 S+ 0 0 5 -3,-0.4 -1,-0.3 1,-0.1 3,-0.2 0.397 85.2 112.5-115.7 4.3 85.0 -58.2 -47.2 90 103 A R S < S+ 0 0 23 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.760 84.5 40.6 -46.8 -36.0 87.9 -56.4 -48.9 91 104 A M S S+ 0 0 72 -4,-0.4 -1,-0.2 -3,-0.1 4,-0.2 0.866 81.4 114.8 -86.6 -39.1 87.7 -58.5 -52.0 92 105 A K > - 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h 0 257C 7 106,-3.6 108,-2.7 -2,-0.6 110,-0.4 -0.497 11.5-127.5 -87.7 148.4 106.4 -54.4 -39.3 151 164 A A > - 0 0 6 -2,-0.2 3,-1.5 106,-0.2 4,-0.3 -0.551 18.8-119.7 -91.1 153.9 105.1 -53.6 -35.9 152 165 A A G >> S+ 0 0 2 108,-2.5 3,-2.2 1,-0.3 4,-1.3 0.794 104.9 71.4 -56.7 -39.4 103.5 -55.9 -33.2 153 166 A S G 34 S+ 0 0 4 108,-2.4 -1,-0.3 1,-0.3 109,-0.1 0.720 85.1 71.9 -54.4 -22.3 100.2 -54.0 -33.1 154 167 A G G <4 S+ 0 0 42 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.831 105.5 35.9 -64.2 -31.7 99.6 -55.4 -36.5 155 168 A A T <4 S- 0 0 55 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.674 125.1 -91.3 -93.9 -22.9 99.0 -58.8 -34.9 156 169 A G >X - 0 0 16 -4,-1.3 4,-1.5 1,-0.1 3,-0.6 -0.670 37.0 -62.2 138.4 169.5 97.4 -57.5 -31.7 157 170 A A H 3> S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.887 122.8 52.5 -58.0 -44.9 97.4 -56.3 -28.2 158 171 A K H 3> S+ 0 0 142 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.764 107.2 56.0 -66.0 -22.5 98.8 -59.5 -26.6 159 172 A N H <> S+ 0 0 17 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.857 104.5 50.1 -75.3 -39.0 101.6 -59.3 -29.1 160 173 A M H X S+ 0 0 32 -4,-1.5 4,-2.0 -3,-0.2 -2,-0.2 0.890 111.4 50.3 -65.7 -40.1 102.6 -55.8 -28.1 161 174 A R H X S+ 0 0 184 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.849 110.3 49.9 -67.5 -33.2 102.6 -57.0 -24.5 162 175 A E H X S+ 0 0 11 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.912 108.3 51.6 -72.1 -42.3 104.8 -60.0 -25.4 163 176 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 111.5 47.6 -59.0 -46.5 107.3 -58.0 -27.2 164 177 A L H X S+ 0 0 87 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.919 111.9 50.2 -61.7 -41.7 107.7 -55.6 -24.3 165 178 A S H X S+ 0 0 65 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.892 109.7 51.6 -62.4 -41.1 108.0 -58.6 -21.9 166 179 A Q H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.923 108.9 49.3 -61.7 -47.7 110.7 -60.1 -24.2 167 180 A M H X S+ 0 0 83 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.916 111.5 51.5 -58.0 -44.9 112.7 -56.9 -24.2 168 181 A G H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.955 109.7 46.2 -58.1 -55.5 112.5 -56.7 -20.4 169 182 A L H X S+ 0 0 43 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.836 109.4 57.5 -58.7 -33.8 113.7 -60.3 -19.8 170 183 A L H < S+ 0 0 14 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.4 38.1 -66.6 -39.8 116.5 -59.8 -22.2 171 184 A E H >< S+ 0 0 79 -4,-1.7 3,-2.4 -3,-0.4 -2,-0.2 0.921 110.7 60.1 -75.4 -45.0 118.0 -56.8 -20.4 172 185 A Q H >< S+ 0 0 119 -4,-2.7 3,-0.7 1,-0.3 4,-0.2 0.717 94.6 67.4 -53.6 -22.2 117.3 -58.2 -17.0 173 186 A A T 3< S+ 0 0 33 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.649 116.5 22.5 -75.9 -16.4 119.5 -61.2 -17.9 174 187 A V T <> S+ 0 0 3 -3,-2.4 4,-2.3 -4,-0.2 -1,-0.2 -0.059 83.6 129.9-137.9 29.8 122.6 -59.0 -17.9 175 188 A S H <> S+ 0 0 39 -3,-0.7 4,-0.6 1,-0.2 -2,-0.1 0.861 78.7 40.8 -55.7 -40.9 121.3 -56.2 -15.7 176 189 A S H >> S+ 0 0 83 -4,-0.2 4,-0.9 2,-0.2 3,-0.9 0.930 114.2 51.0 -76.0 -45.6 124.4 -56.3 -13.5 177 190 A E H 34 S+ 0 0 39 1,-0.3 6,-0.4 2,-0.2 3,-0.4 0.818 105.4 57.4 -61.6 -32.3 127.0 -56.7 -16.2 178 191 A L H 3< S+ 0 0 89 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.788 102.9 55.0 -69.3 -26.5 125.5 -53.8 -18.1 179 192 A K H << S+ 0 0 141 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.720 91.1 79.6 -78.6 -23.6 126.1 -51.6 -15.1 180 193 A D S >< S- 0 0 81 -4,-0.9 3,-2.4 -3,-0.4 -1,-0.1 -0.769 72.1-155.0 -88.7 102.7 129.8 -52.5 -15.0 181 194 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.590 91.5 48.1 -52.6 -12.8 131.4 -50.3 -17.7 182 195 A A T 3 S+ 0 0 85 2,-0.1 3,-0.1 -5,-0.0 -4,-0.1 0.339 81.2 121.3-113.6 5.6 134.3 -52.8 -18.0 183 196 A S S < S- 0 0 35 -3,-2.4 2,-0.2 -6,-0.4 -6,-0.0 -0.362 74.7 -86.2 -72.1 152.2 132.4 -56.1 -18.2 184 197 A S > - 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