==== 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 08-APR-03 1OZA . 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) . 17215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 72.0 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 . 34 9.5 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 . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 31.7 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 0 2 2 2 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 . 0 2 0 0 1 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 0 166 0, 0.0 29,-0.2 0, 0.0 357,-0.1 0.000 360.0 360.0 360.0 147.2 14.3 8.8 9.9 2 2 A K - 0 0 86 27,-0.4 29,-2.7 355,-0.3 2,-0.7 -0.303 360.0-127.0 -67.2 149.1 15.1 12.3 10.9 3 3 A N E -a 31 0A 58 27,-0.2 52,-2.1 50,-0.1 53,-1.8 -0.900 33.1-170.7 -98.8 115.2 14.6 15.1 8.3 4 4 A V E -ab 32 56A 0 27,-2.7 29,-3.0 -2,-0.7 2,-0.3 -0.938 12.2-153.8-117.3 125.5 17.9 17.0 8.1 5 5 A G E -ab 33 57A 0 51,-3.0 53,-3.3 -2,-0.5 2,-0.5 -0.740 8.9-155.5 -94.5 142.1 18.6 20.3 6.3 6 6 A F E -ab 34 58A 2 27,-2.4 29,-2.3 -2,-0.3 2,-0.4 -0.973 10.5-177.2-121.6 126.6 22.0 21.2 5.0 7 7 A I E S+ b 0 59A 3 51,-2.4 53,-2.6 -2,-0.5 54,-0.4 -0.958 70.3 13.6-120.8 138.4 23.2 24.7 4.4 8 8 A G S > S+ 0 0 9 -2,-0.4 3,-1.6 27,-0.2 6,-0.4 0.689 74.0 144.2 74.5 19.9 26.6 25.7 3.0 9 9 A W T 3 + 0 0 67 1,-0.3 9,-0.2 26,-0.3 -1,-0.1 0.499 66.6 57.7 -70.1 -3.9 27.3 22.1 1.8 10 10 A R T 3 S+ 0 0 201 4,-0.1 -1,-0.3 5,-0.1 -2,-0.0 0.442 87.4 94.2-103.7 -3.4 29.1 23.4 -1.3 11 11 A G S <> S- 0 0 37 -3,-1.6 4,-2.6 1,-0.1 5,-0.2 -0.188 95.7 -95.0 -76.8 178.6 31.7 25.4 0.6 12 12 A M H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.981 125.4 37.1 -61.2 -57.2 35.1 24.0 1.4 13 13 A V H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 118.6 50.8 -61.5 -44.6 34.2 22.7 4.9 14 14 A G H > S+ 0 0 0 -6,-0.4 4,-2.5 46,-0.3 -1,-0.2 0.880 108.6 53.0 -60.2 -37.0 30.7 21.7 3.8 15 15 A S H X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.874 106.7 50.9 -67.5 -37.1 32.2 19.8 0.9 16 16 A V H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.890 110.2 51.7 -66.0 -36.4 34.5 17.9 3.2 17 17 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.940 109.2 48.8 -64.3 -47.2 31.4 17.1 5.2 18 18 A M H X S+ 0 0 19 -4,-2.5 4,-2.4 -9,-0.2 -2,-0.2 0.926 113.3 47.9 -58.4 -45.2 29.5 15.8 2.2 19 19 A D H X S+ 0 0 99 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.918 113.8 46.2 -62.5 -45.6 32.5 13.7 1.1 20 20 A R H X S+ 0 0 19 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.908 112.2 50.6 -64.7 -42.9 32.9 12.2 4.6 21 21 A M H <>S+ 0 0 0 -4,-3.0 5,-3.0 2,-0.2 6,-0.4 0.909 112.6 47.1 -62.6 -40.4 29.2 11.5 5.0 22 22 A S H ><5S+ 0 0 65 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.946 109.0 53.9 -64.5 -48.8 29.2 9.7 1.6 23 23 A Q H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.857 115.8 39.3 -53.1 -39.4 32.3 7.7 2.5 24 24 A E T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.354 110.1-122.7 -93.2 4.0 30.6 6.5 5.7 25 25 A N T X 5 + 0 0 97 -3,-1.7 3,-1.2 -4,-0.2 -3,-0.2 0.839 57.0 153.9 56.8 36.5 27.2 6.1 4.0 26 26 A D G > < + 0 0 16 -5,-3.0 3,-1.5 1,-0.2 -4,-0.1 0.753 59.4 70.0 -65.4 -26.0 25.7 8.5 6.5 27 27 A F G > S+ 0 0 52 -6,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.669 85.8 65.8 -68.1 -17.0 22.9 9.5 4.1 28 28 A E G < S+ 0 0 135 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.541 99.3 54.6 -82.0 -2.2 21.3 6.1 4.3 29 29 A N G < S+ 0 0 83 -3,-1.5 -27,-0.4 -4,-0.1 2,-0.3 0.254 113.9 30.9-110.6 9.4 20.4 6.8 7.9 30 30 A L S < S- 0 0 7 -3,-0.9 -27,-0.2 -29,-0.2 -1,-0.1 -0.987 76.6-110.0-160.9 162.9 18.6 10.1 7.4 31 31 A N E -a 3 0A 70 -29,-2.7 -27,-2.7 -2,-0.3 2,-0.3 -0.866 38.9-153.5-102.3 101.8 16.5 12.1 5.0 32 32 A P E -a 4 0A 40 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.586 12.7-170.9 -82.0 134.8 18.6 15.0 3.6 33 33 A V E -a 5 0A 26 -29,-3.0 -27,-2.4 -2,-0.3 2,-0.4 -0.984 15.5-149.3-123.7 115.8 17.1 18.3 2.4 34 34 A F E -a 6 0A 64 -2,-0.5 9,-1.2 -29,-0.2 2,-0.2 -0.707 11.9-165.6 -92.7 137.9 19.6 20.6 0.7 35 35 A F E -f 43 0B 2 -29,-2.3 2,-0.3 -2,-0.4 -26,-0.3 -0.722 2.3-164.9-115.7 166.0 19.3 24.3 0.7 36 36 A T E -f 44 0B 44 7,-1.8 9,-2.8 -2,-0.2 10,-0.4 -0.989 26.5-149.4-149.9 154.0 20.9 27.2 -1.3 37 37 A T S S+ 0 0 64 -2,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.521 72.5 105.1 -96.5 -12.2 21.4 30.9 -1.0 38 38 A S - 0 0 68 1,-0.1 -2,-0.1 2,-0.1 7,-0.1 -0.312 57.8-158.0 -71.6 151.4 21.4 31.1 -4.9 39 39 A Q 0 0 203 -2,-0.1 -1,-0.1 5,-0.1 5,-0.0 0.147 360.0 360.0-111.6 14.4 18.4 32.5 -6.9 40 40 A A 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.464 360.0 360.0 -69.4 360.0 19.6 30.6 -10.0 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 0 146 0, 0.0 -7,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 161.9 16.4 23.1 -3.9 43 56 A K E -f 35 0B 81 -9,-1.2 -7,-1.8 1,-0.1 2,-0.3 -0.483 360.0 -94.4 -86.9 159.2 14.8 25.2 -1.2 44 57 A S E > -f 36 0B 54 -9,-0.2 3,-1.9 -2,-0.1 -7,-0.2 -0.569 19.5-139.4 -76.2 132.1 16.0 28.7 -0.1 45 58 A A T 3 S+ 0 0 0 -9,-2.8 -8,-0.1 -2,-0.3 -1,-0.1 0.694 105.9 53.1 -61.2 -18.2 18.4 28.8 2.9 46 59 A F T 3 S+ 0 0 91 -10,-0.4 2,-1.5 1,-0.1 -1,-0.3 0.398 76.3 107.1 -98.4 -0.6 16.4 31.9 4.0 47 60 A D X> - 0 0 64 -3,-1.9 4,-1.9 1,-0.2 3,-0.7 -0.636 48.5-173.9 -82.5 91.6 12.9 30.3 3.8 48 61 A I H 3> S+ 0 0 38 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.868 79.2 57.1 -53.7 -43.9 12.2 30.0 7.6 49 62 A E H 3> S+ 0 0 107 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.866 108.2 48.6 -57.8 -37.2 9.0 28.1 7.2 50 63 A E H X4 S+ 0 0 35 -3,-0.7 3,-0.8 1,-0.2 4,-0.3 0.902 110.7 49.6 -69.0 -42.3 10.8 25.4 5.2 51 64 A L H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.845 102.3 63.4 -64.9 -33.9 13.6 25.1 7.8 52 65 A K H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.749 91.9 64.9 -64.1 -24.0 11.0 24.8 10.5 53 66 A K T << S+ 0 0 133 -3,-0.8 -1,-0.3 -4,-0.6 2,-0.2 0.613 89.2 88.8 -74.9 -11.9 9.7 21.5 9.0 54 67 A L < - 0 0 9 -3,-1.6 26,-0.2 -4,-0.3 -50,-0.2 -0.525 67.7-146.9 -90.4 155.2 13.1 19.8 9.7 55 68 A D S S+ 0 0 58 -52,-2.1 26,-2.8 1,-0.3 2,-0.3 0.775 87.1 17.2 -85.9 -30.3 14.2 18.0 12.8 56 69 A I E -bc 4 81A 2 -53,-1.8 -51,-3.0 24,-0.2 2,-0.5 -0.998 61.0-156.8-144.9 145.5 17.8 19.1 12.4 57 70 A I E -bc 5 82A 0 24,-2.6 26,-3.4 -2,-0.3 2,-0.6 -0.989 7.5-167.2-125.9 123.4 19.7 21.7 10.5 58 71 A V E -bc 6 83A 1 -53,-3.3 -51,-2.4 -2,-0.5 2,-0.4 -0.955 14.7-174.6-109.9 119.8 23.4 21.3 9.8 59 72 A T E +bc 7 84A 0 24,-2.9 26,-2.5 -2,-0.6 27,-0.5 -0.960 33.2 160.0-126.3 136.3 25.1 24.4 8.6 60 73 A C + 0 0 25 -53,-2.6 -46,-0.3 -2,-0.4 -52,-0.2 0.056 56.2 106.5-127.6 14.0 28.6 25.2 7.3 61 74 A Q S S- 0 0 78 -54,-0.4 2,-0.2 1,-0.2 3,-0.1 0.873 82.0-104.5 -65.4 -42.1 27.4 28.4 5.6 62 75 A G > - 0 0 22 1,-0.1 4,-2.2 2,-0.1 -1,-0.2 -0.632 28.2 -69.0 136.3 166.6 29.0 30.8 8.1 63 76 A G H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 122.0 54.9 -59.3 -44.0 28.6 33.2 11.0 64 77 A D H > S+ 0 0 149 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.925 110.7 47.6 -57.1 -45.3 26.7 35.9 9.2 65 78 A Y H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.926 112.8 47.3 -60.6 -49.6 24.1 33.3 8.1 66 79 A T H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.940 109.4 52.4 -60.5 -48.0 23.7 31.8 11.5 67 80 A N H < S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.763 115.8 44.3 -61.7 -21.8 23.3 35.2 13.2 68 81 A E H X S+ 0 0 101 -4,-1.1 4,-0.7 -3,-0.4 -2,-0.2 0.936 125.2 23.2 -87.5 -53.8 20.6 36.0 10.7 69 82 A V H X S+ 0 0 3 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.873 107.7 69.9 -85.5 -39.4 18.4 32.9 10.5 70 83 A Y H X S+ 0 0 21 -4,-1.6 4,-2.9 -5,-0.4 5,-0.3 0.925 103.9 44.7 -44.4 -57.1 19.0 31.1 13.8 71 84 A P H > S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.917 115.3 48.0 -56.3 -44.6 17.1 33.8 15.8 72 85 A K H X S+ 0 0 118 -4,-0.7 4,-0.8 2,-0.2 -2,-0.2 0.903 113.2 47.5 -63.6 -41.9 14.3 33.9 13.2 73 86 A L H ><>S+ 0 0 0 -4,-3.3 3,-1.1 1,-0.2 5,-0.9 0.943 111.2 49.6 -65.4 -47.2 14.0 30.1 13.2 74 87 A K H ><5S+ 0 0 60 -4,-2.9 3,-1.8 -5,-0.3 -1,-0.2 0.863 103.4 63.3 -59.2 -35.8 14.0 29.8 17.0 75 88 A A H 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.764 90.3 65.2 -60.6 -29.1 11.3 32.5 17.1 76 89 A T T <<5S- 0 0 58 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.464 121.0-105.4 -75.1 0.6 8.8 30.3 15.3 77 90 A G T < 5 + 0 0 58 -3,-1.8 -3,-0.1 1,-0.3 -2,-0.1 0.386 62.2 166.7 90.3 -4.5 8.8 27.9 18.2 78 91 A W < - 0 0 15 -5,-0.9 -1,-0.3 1,-0.1 -25,-0.1 -0.197 18.0-171.4 -47.0 125.1 10.9 25.5 16.2 79 92 A D + 0 0 124 -27,-0.2 -1,-0.1 -3,-0.1 -5,-0.1 0.105 42.3 114.8-111.3 22.3 12.2 22.9 18.7 80 93 A G S S- 0 0 5 -26,-0.2 2,-0.3 1,-0.1 -24,-0.2 -0.113 70.0 -83.7 -83.0-176.1 14.7 21.0 16.4 81 94 A Y E -c 56 0A 62 -26,-2.8 -24,-2.6 36,-0.1 2,-0.5 -0.705 29.0-155.7 -95.6 142.0 18.5 20.7 16.6 82 95 A W E -cd 57 117A 0 34,-2.7 36,-3.0 -2,-0.3 2,-0.6 -0.955 8.4-172.6-118.8 113.4 21.0 23.2 15.2 83 96 A V E -cd 58 118A 0 -26,-3.4 -24,-2.9 -2,-0.5 2,-0.4 -0.930 11.4-172.5-108.5 117.2 24.4 21.9 14.3 84 97 A D E -cd 59 119A 0 34,-2.7 36,-2.4 -2,-0.6 -24,-0.2 -0.922 30.4-173.3-119.9 133.9 26.9 24.6 13.3 85 98 A A S S+ 0 0 27 -26,-2.5 -25,-0.2 -2,-0.4 -1,-0.1 0.637 71.2 91.4 -89.3 -18.1 30.4 24.4 11.9 86 99 A A S S- 0 0 15 -27,-0.5 3,-0.3 -24,-0.1 34,-0.2 -0.347 79.4-131.8 -74.5 158.9 30.7 28.2 12.3 87 100 A S S > S+ 0 0 65 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.511 78.1 104.6 -90.2 -5.5 32.0 29.8 15.5 88 101 A A T 3 S+ 0 0 31 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.843 90.5 29.8 -42.3 -50.9 29.2 32.3 15.9 89 102 A L T > S+ 0 0 10 -3,-0.3 3,-2.3 1,-0.2 -1,-0.3 0.385 85.3 112.9 -96.7 4.0 27.4 30.4 18.8 90 103 A L T < S+ 0 0 3 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.850 84.2 37.9 -41.7 -50.8 30.5 28.7 20.3 91 104 A M T 3 S+ 0 0 74 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.101 84.9 123.2 -95.8 24.2 30.3 30.7 23.6 92 105 A K X - 0 0 107 -3,-2.3 3,-2.9 1,-0.1 -3,-0.0 -0.737 61.8-141.4 -86.4 127.2 26.6 30.8 24.0 93 106 A D T 3 S+ 0 0 153 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.674 104.3 67.2 -59.4 -12.2 25.4 29.4 27.3 94 107 A D T 3 S+ 0 0 82 -5,-0.1 23,-0.6 21,-0.1 22,-0.5 0.608 100.1 56.3 -82.3 -15.8 22.7 28.0 25.0 95 108 A A E < -e 117 0A 6 -3,-2.9 2,-0.4 -6,-0.2 23,-0.2 -0.846 66.2-139.4-126.8 160.1 25.1 25.7 23.1 96 109 A I E -e 118 0A 26 21,-2.1 23,-2.5 -2,-0.3 2,-0.7 -0.903 19.7-131.2-114.5 139.8 27.6 22.9 23.6 97 110 A I E -e 119 0A 1 -2,-0.4 2,-0.3 21,-0.2 23,-0.2 -0.812 32.3-142.7 -89.7 118.6 30.9 22.6 21.7 98 111 A V E +e 120 0A 1 21,-2.6 23,-2.8 -2,-0.7 6,-0.1 -0.658 48.0 137.5 -94.8 144.1 31.1 19.1 20.4 99 112 A L >> - 0 0 0 -2,-0.3 3,-2.7 21,-0.2 4,-2.3 -0.358 30.4-170.0-172.3 66.5 34.1 16.7 20.1 100 113 A D H 3> S+ 0 0 15 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.698 79.0 62.3 -43.9 -34.8 32.6 13.5 21.2 101 114 A P H 34 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.851 120.6 28.1 -65.1 -24.9 35.8 11.4 21.5 102 115 A V H <4 S+ 0 0 21 -3,-2.7 -2,-0.2 1,-0.1 3,-0.2 0.854 136.2 22.9 -99.0 -43.6 36.8 14.0 24.2 103 116 A N H X + 0 0 5 -4,-2.3 4,-2.1 1,-0.1 3,-0.3 -0.154 66.6 134.4-122.5 42.3 33.6 15.2 25.7 104 117 A Q H X S+ 0 0 63 -4,-1.1 4,-3.3 1,-0.2 5,-0.2 0.893 76.6 58.8 -54.1 -39.7 30.9 12.6 25.1 105 118 A H H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 105.9 44.9 -57.8 -47.0 29.9 13.1 28.8 106 119 A V H > S+ 0 0 35 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.867 115.1 50.5 -67.0 -33.6 29.1 16.8 28.5 107 120 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.964 109.4 48.4 -67.3 -51.7 27.3 16.1 25.2 108 121 A S H X S+ 0 0 42 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.867 115.0 46.7 -56.9 -38.4 25.1 13.3 26.7 109 122 A E H X S+ 0 0 85 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.947 108.2 53.3 -70.2 -49.1 24.2 15.5 29.7 110 123 A G H X>S+ 0 0 6 -4,-2.4 5,-3.1 1,-0.2 4,-1.6 0.882 108.8 52.4 -52.9 -39.5 23.4 18.6 27.6 111 124 A L H <5S+ 0 0 47 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.914 109.5 46.8 -64.1 -43.7 21.0 16.4 25.6 112 125 A K H <5S+ 0 0 165 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 113.3 51.2 -65.0 -36.2 19.2 15.1 28.7 113 126 A K H <5S- 0 0 162 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.750 125.0-100.8 -72.2 -28.4 19.1 18.7 30.0 114 127 A G T <5 + 0 0 37 -4,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.561 59.2 161.5 118.7 10.4 17.6 20.0 26.8 115 128 A I < + 0 0 13 -5,-3.1 -1,-0.2 -6,-0.2 -20,-0.1 -0.451 9.6 177.2 -64.0 133.5 20.4 21.6 24.8 116 129 A K + 0 0 58 -22,-0.5 -34,-2.7 -2,-0.1 2,-0.5 0.354 55.1 76.0-118.2 -0.6 19.3 21.9 21.2 117 130 A T E -de 82 95A 0 -23,-0.6 -21,-2.1 -36,-0.2 2,-0.4 -0.961 53.1-179.0-122.0 126.7 22.4 23.7 19.7 118 131 A F E -de 83 96A 0 -36,-3.0 -34,-2.7 -2,-0.5 2,-0.5 -0.977 6.4-168.7-128.6 125.1 25.7 22.1 19.0 119 132 A V E -de 84 97A 0 -23,-2.5 -21,-2.6 -2,-0.4 -34,-0.2 -0.925 31.0-110.6-111.6 133.0 28.8 23.9 17.6 120 133 A G E - e 0 98A 3 -36,-2.4 -21,-0.2 -2,-0.5 2,-0.2 -0.279 24.3-114.1 -66.5 142.7 31.7 21.8 16.4 121 134 A G - 0 0 1 -23,-2.8 2,-0.3 4,-0.1 228,-0.1 -0.530 52.1-166.6 -67.3 143.3 35.0 21.7 18.2 122 135 A N >> - 0 0 22 -2,-0.2 4,-1.4 226,-0.1 3,-0.9 -0.910 19.7 -21.5-142.6 166.7 37.5 23.3 15.8 123 136 A C H 3> S- 0 0 17 221,-2.4 4,-2.1 217,-0.4 5,-0.2 0.040 114.2 -6.2 42.8-138.4 41.0 24.1 14.6 124 137 A T H 3> S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.791 131.0 57.6 -58.2 -32.6 43.9 24.0 17.1 125 138 A V H <> S+ 0 0 3 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.959 111.8 38.1 -66.5 -50.6 41.8 23.4 20.2 126 139 A S H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.899 117.0 51.9 -67.5 -38.6 40.1 20.2 19.0 127 140 A L H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.890 110.6 49.5 -64.4 -37.8 43.3 18.9 17.3 128 141 A M H X S+ 0 0 3 -4,-2.0 4,-2.9 -5,-0.2 3,-0.3 0.955 112.2 47.0 -63.6 -49.5 45.1 19.5 20.6 129 142 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.3 -2,-0.2 0.828 108.6 54.3 -63.2 -34.6 42.4 17.6 22.6 130 143 A M H < S+ 0 0 0 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.840 114.9 43.1 -68.3 -31.2 42.4 14.7 20.1 131 144 A A H < S+ 0 0 1 -4,-1.4 -2,-0.2 -3,-0.3 3,-0.2 0.944 133.7 13.1 -79.2 -52.2 46.2 14.5 20.6 132 145 A I H >X S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.1 4,-1.1 0.183 81.8 120.7-114.5 19.4 46.5 14.9 24.4 133 146 A G H 3X S+ 0 0 1 -4,-1.7 4,-3.1 1,-0.3 5,-0.2 0.812 70.2 69.1 -50.7 -30.7 43.0 14.5 25.7 134 147 A G H 3> S+ 0 0 0 151,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.888 96.5 51.0 -56.4 -40.4 44.3 11.6 27.7 135 148 A L H <4>S+ 0 0 0 -3,-1.8 5,-2.9 2,-0.2 6,-0.5 0.866 113.2 44.5 -66.7 -37.6 46.3 13.9 29.9 136 149 A F H ><5S+ 0 0 17 -4,-1.1 3,-2.4 3,-0.2 -2,-0.2 0.933 109.1 55.8 -72.0 -45.5 43.2 16.1 30.6 137 150 A E H 3<5S+ 0 0 124 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.845 110.2 46.0 -54.6 -36.0 40.9 13.1 31.2 138 151 A K T 3<5S- 0 0 99 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.365 114.7-122.1 -88.0 4.2 43.3 11.9 33.9 139 152 A D T < 5S+ 0 0 101 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.903 71.5 131.1 56.8 47.9 43.4 15.4 35.3 140 153 A L < + 0 0 12 -5,-2.9 133,-2.1 -6,-0.1 2,-0.6 0.530 36.6 99.6-105.5 -9.0 47.2 15.7 34.9 141 154 A V E +G 272 0C 1 -6,-0.5 131,-0.2 131,-0.2 3,-0.1 -0.710 34.1 169.5 -87.9 119.0 47.4 19.1 33.1 142 155 A E E S- 0 0 83 129,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.868 73.2 -30.4 -88.3 -47.3 48.3 22.1 35.3 143 156 A W E -G 271 0C 78 128,-1.3 128,-2.1 106,-0.1 -1,-0.4 -0.970 55.7-137.8-161.6 168.6 48.8 24.4 32.3 144 157 A I E -Gh 270 251C 2 106,-1.7 108,-2.3 -2,-0.3 2,-0.5 -0.966 1.5-157.4-144.3 124.1 50.0 24.3 28.7 145 158 A S E -Gh 269 252C 56 124,-2.4 124,-1.9 -2,-0.4 2,-0.3 -0.872 26.2-164.2 -96.7 127.0 52.2 26.7 26.7 146 159 A V E -Gh 268 253C 16 106,-2.5 108,-1.9 -2,-0.5 2,-0.4 -0.891 24.6-176.2-122.1 148.2 51.5 26.4 23.0 147 160 A A E -Gh 267 254C 40 120,-1.7 120,-3.1 -2,-0.3 2,-0.2 -0.965 23.9-157.5-136.5 114.2 53.2 27.4 19.7 148 161 A T E -Gh 266 255C 4 106,-2.2 108,-0.6 -2,-0.4 2,-0.4 -0.614 22.4-161.7-100.9 159.2 51.2 26.6 16.6 149 162 A Y E -Gh 265 256C 95 116,-3.0 116,-2.4 -2,-0.2 2,-0.3 -0.820 31.8-166.1-132.8 84.1 52.1 26.1 12.9 150 163 A Q E - h 0 257C 0 106,-3.3 108,-2.4 -2,-0.4 110,-0.4 -0.599 12.2-128.0 -89.6 139.0 48.7 26.6 11.3 151 164 A A > - 0 0 0 -2,-0.3 3,-0.9 106,-0.2 4,-0.3 -0.274 22.1-114.5 -76.9 162.0 47.7 25.7 7.7 152 165 A A G >> S+ 0 0 0 108,-2.9 3,-2.1 1,-0.2 4,-1.6 0.775 105.9 74.0 -67.1 -30.2 46.1 28.0 5.2 153 166 A S G 34 S+ 0 0 3 108,-2.1 -1,-0.2 1,-0.3 109,-0.1 0.798 85.6 65.7 -57.1 -29.3 42.8 26.1 5.1 154 167 A G G <4 S+ 0 0 29 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.774 106.4 43.1 -64.1 -23.5 41.9 27.5 8.5 155 168 A A T <4 S- 0 0 43 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.812 124.8 -88.2 -89.9 -34.7 41.7 30.9 6.8 156 169 A G X - 0 0 18 -4,-1.6 4,-1.7 1,-0.1 3,-0.4 -0.743 35.9 -71.0 145.2 167.6 39.9 29.7 3.7 157 170 A A H > S+ 0 0 50 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.899 124.9 49.5 -57.4 -47.1 39.9 28.3 0.2 158 171 A K H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.779 107.9 56.3 -67.3 -23.5 41.2 31.4 -1.5 159 172 A N H > S+ 0 0 22 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.878 106.1 49.2 -72.8 -38.7 44.0 31.6 1.1 160 173 A M H X S+ 0 0 29 -4,-1.7 4,-2.2 -8,-0.2 -2,-0.2 0.913 112.1 49.6 -64.7 -42.1 45.1 28.1 0.2 161 174 A R H X S+ 0 0 182 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 109.4 51.0 -63.3 -41.7 45.1 29.1 -3.4 162 175 A E H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.921 108.2 52.4 -63.0 -44.5 47.1 32.3 -2.7 163 176 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 110.4 48.1 -55.8 -50.0 49.7 30.2 -0.8 164 177 A L H X S+ 0 0 86 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.894 111.9 49.0 -59.6 -40.5 50.1 27.9 -3.8 165 178 A S H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.885 108.9 53.9 -67.4 -37.4 50.5 30.8 -6.2 166 179 A Q H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 107.7 49.6 -62.6 -43.1 53.1 32.4 -3.9 167 180 A M H X S+ 0 0 78 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.881 110.1 51.1 -64.3 -38.7 55.2 29.2 -3.9 168 181 A G H X S+ 0 0 36 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.925 110.0 49.4 -64.4 -43.6 55.0 29.0 -7.7 169 182 A L H X S+ 0 0 54 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.855 108.0 53.7 -63.5 -38.4 56.1 32.6 -8.1 170 183 A L H < S+ 0 0 17 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.930 115.2 39.4 -64.5 -45.2 59.1 32.2 -5.8 171 184 A E H >< S+ 0 0 73 -4,-1.9 3,-2.2 1,-0.2 4,-0.3 0.950 112.9 55.6 -68.7 -47.6 60.4 29.2 -7.7 172 185 A Q H >< S+ 0 0 120 -4,-3.0 3,-0.6 1,-0.3 4,-0.3 0.755 96.9 66.4 -57.2 -23.9 59.6 30.7 -11.1 173 186 A A T 3< S+ 0 0 36 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.742 118.8 21.7 -69.7 -23.2 61.6 33.7 -10.1 174 187 A V T <> S+ 0 0 3 -3,-2.2 4,-2.7 -4,-0.4 5,-0.3 0.076 83.6 128.6-131.3 24.1 64.8 31.6 -10.2 175 188 A S H <> S+ 0 0 24 -3,-0.6 4,-0.8 -4,-0.3 -2,-0.1 0.848 78.9 42.7 -49.5 -44.7 63.7 28.7 -12.4 176 189 A S H >> S+ 0 0 90 -4,-0.3 4,-1.1 2,-0.2 3,-0.7 0.928 112.3 52.8 -71.3 -44.7 66.7 28.9 -14.7 177 190 A E H >4 S+ 0 0 41 1,-0.3 3,-0.5 2,-0.2 6,-0.4 0.887 106.2 53.9 -57.7 -40.6 69.2 29.4 -11.9 178 191 A L H 3< S+ 0 0 92 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.791 100.5 64.7 -64.7 -26.4 67.9 26.3 -10.1 179 192 A K H << S+ 0 0 157 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.850 91.3 65.8 -67.4 -38.3 68.5 24.4 -13.3 180 193 A D S X< S- 0 0 71 -4,-1.1 3,-1.7 -3,-0.5 -1,-0.1 -0.798 74.9-147.1 -93.2 122.8 72.2 24.7 -13.4 181 194 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.463 94.3 56.4 -62.3 -3.3 73.9 22.9 -10.5 182 195 A A T 3 S+ 0 0 90 -5,-0.1 3,-0.1 2,-0.1 -4,-0.1 0.408 77.0 121.6-112.1 1.6 76.7 25.6 -10.3 183 196 A S S < S- 0 0 36 -3,-1.7 2,-0.4 -6,-0.4 3,-0.0 -0.183 72.5 -94.3 -64.6 157.9 74.6 28.7 -9.8 184 197 A S > - 0 0 63 1,-0.2 4,-2.0 2,-0.0 -1,-0.1 -0.611 23.3-154.4 -76.8 122.7 75.1 31.0 -6.8 185 198 A I H > S+ 0 0 121 -2,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.831 97.4 54.5 -65.2 -32.4 72.7 30.2 -4.0 186 199 A L H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 106.9 49.9 -69.7 -35.5 73.0 33.8 -2.7 187 200 A D H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.907 112.0 49.9 -67.0 -41.1 72.0 35.1 -6.2 188 201 A I H X S+ 0 0 16 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.942 111.1 47.6 -62.0 -49.6 69.0 32.8 -6.1 189 202 A E H X S+ 0 0 90 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.920 108.3 54.6 -60.8 -44.8 68.0 33.9 -2.6 190 203 A R H X S+ 0 0 144 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.889 111.5 46.0 -56.0 -40.2 68.3 37.6 -3.5 191 204 A K H X S+ 0 0 75 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.903 113.2 47.8 -70.6 -42.7 65.9 37.0 -6.5 192 205 A V H X S+ 0 0 30 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 114.3 47.3 -64.0 -43.9 63.4 35.0 -4.5 193 206 A T H X S+ 0 0 28 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.903 109.8 53.0 -65.1 -38.7 63.4 37.6 -1.7 194 207 A A H X S+ 0 0 60 -4,-2.2 4,-0.5 -5,-0.3 3,-0.4 0.915 109.2 51.4 -61.9 -40.4 63.0 40.4 -4.3 195 208 A K H >< S+ 0 0 43 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.917 106.5 50.1 -64.6 -45.5 60.0 38.6 -5.7 196 209 A M H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 112.9 49.7 -68.7 -15.7 58.2 38.1 -2.4 197 210 A R H 3< S+ 0 0 196 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.499 87.8 112.6 -96.7 -5.7 58.7 41.8 -1.7 198 211 A A S X< S- 0 0 34 -3,-1.2 3,-1.9 -4,-0.5 -3,-0.0 -0.340 75.4-123.8 -69.8 148.6 57.4 42.9 -5.1 199 212 A D T 3 S+ 0 0 173 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.777 111.4 57.0 -61.5 -27.1 54.1 44.9 -5.4 200 213 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 -5,-0.1 -2,-0.1 0.262 76.6 114.0 -90.1 12.3 52.8 42.2 -7.8 201 214 A F S < S- 0 0 7 -3,-1.9 2,-0.9 -5,-0.1 -35,-0.1 -0.764 78.0-117.1 -84.3 121.9 53.3 39.4 -5.3 202 215 A P + 0 0 35 0, 0.0 -36,-0.1 0, 0.0 -2,-0.1 -0.465 61.4 138.4 -65.1 99.5 49.8 38.2 -4.4 203 216 A T > + 0 0 42 -2,-0.9 4,-3.1 6,-0.1 5,-0.4 0.115 29.1 112.7-128.8 19.3 49.3 38.8 -0.7 204 217 A D T 4 S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.2 -45,-0.1 0.874 77.4 49.4 -62.0 -41.2 45.7 40.1 -0.6 205 218 A N T 4 S+ 0 0 64 1,-0.2 -1,-0.2 -47,-0.2 -46,-0.1 0.859 126.4 24.4 -71.2 -34.9 44.3 37.2 1.3 206 219 A F T 4 S- 0 0 35 2,-0.2 -2,-0.2 -47,-0.1 -1,-0.2 0.743 95.1-130.3-100.0 -28.2 46.9 37.1 4.1 207 220 A G S < S+ 0 0 61 -4,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.599 86.0 40.1 86.5 12.1 48.1 40.7 4.0 208 221 A A S S- 0 0 41 -5,-0.4 -2,-0.2 -6,-0.1 -1,-0.2 -0.943 103.5 -70.3-175.1 166.3 51.6 39.5 3.9 209 222 A A + 0 0 16 -2,-0.3 5,-0.3 1,-0.2 -6,-0.1 -0.442 42.8 166.8 -71.2 143.6 53.7 36.7 2.2 210 223 A L > + 0 0 0 3,-0.1 3,-3.1 -2,-0.1 49,-0.3 0.639 56.2 82.4-119.2 -50.2 53.1 33.2 3.5 211 224 A G T 3 S+ 0 0 16 1,-0.3 48,-0.2 47,-0.1 -44,-0.1 0.725 115.0 6.4 -20.0 -81.3 54.8 31.1 0.9 212 225 A G T 3 S+ 0 0 53 -46,-0.1 -1,-0.3 46,-0.1 2,-0.2 -0.162 135.0 46.9-105.5 40.6 58.4 31.2 2.0 213 226 A S S < S- 0 0 60 -3,-3.1 46,-0.5 -5,-0.1 2,-0.3 -0.522 73.6-123.2-146.5-149.1 57.6 33.0 5.2 214 227 A L E -I 258 0C 93 -5,-0.3 44,-0.2 -2,-0.2 -5,-0.1 -0.956 7.0-136.7-169.0 157.0 55.2 33.0 8.2 215 228 A I E -I 257 0C 27 42,-2.1 42,-2.8 -2,-0.3 2,-1.2 -0.936 5.8-159.2-129.8 109.2 52.7 35.3 10.0 216 229 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 40,-0.2 -0.189 74.0 68.3 -79.5 44.3 52.8 35.4 13.8 217 230 A W + 0 0 129 -2,-1.2 40,-0.1 37,-0.1 39,-0.1 -0.865 50.2 171.3-162.7 122.9 49.2 36.8 14.1 218 231 A I + 0 0 35 -2,-0.3 -1,-0.1 37,-0.1 38,-0.0 0.879 60.6 5.8-100.9 -72.0 45.9 35.0 13.2 219 232 A D S S- 0 0 59 1,-0.2 2,-0.2 0, 0.0 12,-0.0 0.016 96.1 -53.9 -97.5-154.7 42.7 36.8 14.1 220 233 A K - 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