==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-FEB-05 1YS4 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR C.R.FAEHNLE,J.F.OHREN,R.E.VIOLA . 696 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 41 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 10 0 0 0 0 2 4 0 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 1 7 2 2 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 . 4 0 2 0 2 0 4 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 . 2 2 0 0 2 2 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 7 A X 0 0 141 0, 0.0 24,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 141.7 30.2 48.8 110.9 2 8 A K + 0 0 130 26,-0.1 2,-0.4 27,-0.1 26,-0.2 -0.441 360.0 169.4-130.3 58.4 33.6 49.1 112.5 3 9 A I E -a 28 0A 49 24,-3.0 26,-2.9 1,-0.1 2,-0.4 -0.592 40.0-118.0 -70.5 124.5 33.6 52.2 114.7 4 10 A K E -a 29 0A 70 -2,-0.4 76,-0.8 73,-0.4 75,-0.8 -0.525 38.8-178.8 -77.8 123.3 36.8 52.2 116.8 5 11 A V E -ab 30 80A 0 24,-2.7 26,-2.5 -2,-0.4 27,-1.4 -0.851 14.1-154.4-121.8 155.2 36.2 52.0 120.5 6 12 A G E -ab 32 81A 0 74,-1.6 76,-3.0 -2,-0.3 2,-0.4 -0.849 8.1-143.4-121.1 160.8 38.4 51.9 123.6 7 13 A V E > -ab 33 82A 0 25,-1.7 27,-3.2 -2,-0.3 3,-0.5 -0.990 6.4-154.0-127.9 124.1 37.9 50.6 127.2 8 14 A L E 3 S+ab 34 83A 0 74,-3.5 76,-2.7 -2,-0.4 27,-0.2 -0.818 87.3 15.5 -92.0 134.6 39.2 52.3 130.3 9 15 A G T > S+ 0 0 13 25,-0.9 3,-0.8 -2,-0.4 6,-0.5 0.909 81.1 165.4 67.3 44.8 39.8 49.9 133.2 10 16 A A T < + 0 0 0 24,-2.4 9,-0.2 -3,-0.5 25,-0.1 0.662 62.2 56.6 -70.2 -20.9 39.6 47.0 130.8 11 17 A T T 3 S+ 0 0 32 23,-0.3 38,-0.3 4,-0.1 -1,-0.2 0.679 92.1 83.8 -87.2 -20.6 41.1 44.3 133.1 12 18 A G S <> S- 0 0 36 -3,-0.8 4,-2.1 36,-0.1 5,-0.2 0.088 99.2 -79.2 -76.4-171.1 38.6 44.6 136.0 13 19 A S H > S+ 0 0 11 2,-0.2 4,-0.8 1,-0.2 170,-0.1 0.915 130.9 33.4 -59.6 -50.8 35.2 43.1 136.6 14 20 A V H > S+ 0 0 19 70,-0.2 4,-2.2 1,-0.2 3,-0.3 0.859 113.7 62.2 -74.0 -36.5 33.2 45.5 134.4 15 21 A G H > S+ 0 0 0 -6,-0.5 4,-2.3 69,-0.3 -2,-0.2 0.856 101.1 52.7 -52.9 -40.1 36.1 45.8 131.9 16 22 A Q H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.827 108.6 48.9 -68.7 -34.5 35.9 42.1 131.2 17 23 A R H X S+ 0 0 16 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.845 109.1 53.1 -73.1 -35.0 32.2 42.4 130.4 18 24 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.951 109.5 49.6 -57.9 -50.7 32.9 45.4 128.1 19 25 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 -9,-0.2 -2,-0.2 0.898 109.8 50.1 -55.8 -47.3 35.5 43.1 126.4 20 26 A Q H < S+ 0 0 53 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.902 115.7 43.2 -57.5 -43.8 33.0 40.3 126.0 21 27 A L H < S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.825 120.6 39.4 -72.8 -33.3 30.4 42.7 124.5 22 28 A L H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 8,-0.7 0.586 93.1 81.3 -98.7 -12.6 32.8 44.6 122.2 23 29 A A T 3< S+ 0 0 14 -4,-1.8 2,-0.2 1,-0.3 -1,-0.2 0.874 111.6 18.6 -62.4 -41.1 35.0 41.8 120.9 24 30 A D T 3 S+ 0 0 155 -4,-0.5 -1,-0.3 -3,-0.1 5,-0.1 -0.646 89.4 148.9-132.9 73.3 32.5 40.7 118.2 25 31 A H < - 0 0 20 -3,-0.7 -3,-0.1 3,-0.6 5,-0.0 -0.877 47.1-139.5-113.1 138.4 30.2 43.6 117.8 26 32 A P S S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.517 102.2 25.8 -77.6 -2.1 28.4 44.6 114.6 27 33 A X S S+ 0 0 8 1,-0.2 -24,-3.0 -25,-0.1 2,-0.4 0.662 116.6 53.6-121.3 -43.5 29.0 48.4 115.1 28 34 A F E -a 3 0A 2 -26,-0.2 -3,-0.6 -24,-0.0 2,-0.5 -0.807 57.9-157.6-107.4 139.2 32.0 48.8 117.3 29 35 A E E -a 4 0A 71 -26,-2.9 -24,-2.7 -2,-0.4 2,-0.6 -0.977 22.0-131.4-114.1 124.8 35.5 47.4 116.9 30 36 A L E +a 5 0A 8 -8,-0.7 -24,-0.2 -2,-0.5 3,-0.1 -0.625 44.7 149.3 -76.6 115.6 37.6 47.1 120.1 31 37 A T E + 0 0 28 -26,-2.5 2,-0.4 -2,-0.6 -25,-0.2 0.600 55.6 48.5-123.5 -22.4 41.0 48.7 119.3 32 38 A A E -a 6 0A 1 -27,-1.4 -25,-1.7 43,-0.1 2,-0.5 -0.990 53.2-174.0-128.9 130.6 42.3 50.2 122.5 33 39 A L E -a 7 0A 1 31,-0.4 33,-3.0 -2,-0.4 2,-0.3 -0.959 14.0-169.4-123.4 111.3 42.5 48.6 126.0 34 40 A A E +ac 8 66A 0 -27,-3.2 -24,-2.4 -2,-0.5 -25,-0.9 -0.806 19.8 135.2-106.8 142.5 43.6 50.8 128.8 35 41 A A E - c 0 67A 7 31,-1.5 33,-0.8 -2,-0.3 50,-0.0 -0.769 55.1 -42.7-153.7-160.7 44.5 50.0 132.4 36 42 A S >> - 0 0 70 -2,-0.2 4,-1.6 31,-0.1 3,-0.7 -0.219 58.1-103.0 -72.6 168.2 47.2 50.8 135.1 37 43 A E T 34 S+ 0 0 144 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.747 121.3 64.9 -66.3 -24.2 50.9 51.0 134.3 38 44 A R T 34 S+ 0 0 195 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.885 110.1 37.2 -58.4 -42.0 51.4 47.6 135.8 39 45 A S T X4 S+ 0 0 13 -3,-0.7 3,-1.9 2,-0.1 26,-0.3 0.739 92.2 109.2 -83.5 -26.9 49.2 46.2 133.0 40 46 A A T 3< S+ 0 0 20 -4,-1.6 26,-0.2 1,-0.2 3,-0.1 -0.290 81.6 22.9 -59.3 129.1 50.6 48.4 130.2 41 47 A G T 3 S+ 0 0 60 24,-2.9 -1,-0.2 1,-0.4 2,-0.2 0.022 101.1 107.3 103.4 -25.0 52.8 46.6 127.7 42 48 A K S < S- 0 0 78 -3,-1.9 23,-3.1 1,-0.1 -1,-0.4 -0.496 78.3-104.7 -84.9 152.5 51.2 43.1 128.5 43 49 A K B >> -G 64 0B 83 21,-0.3 4,-2.3 -2,-0.2 3,-1.5 -0.528 38.5-113.2 -65.6 143.5 48.9 41.1 126.3 44 50 A Y H 3> S+ 0 0 0 19,-2.4 4,-2.8 16,-0.4 18,-0.2 0.847 116.2 58.7 -50.9 -41.2 45.4 41.3 127.8 45 51 A K H 34 S+ 0 0 89 16,-2.1 5,-0.3 1,-0.2 -1,-0.3 0.801 112.8 39.3 -59.4 -32.0 45.4 37.6 128.7 46 52 A D H <4 S+ 0 0 110 -3,-1.5 -2,-0.2 15,-0.3 -1,-0.2 0.841 117.8 46.7 -86.7 -38.1 48.5 38.2 130.9 47 53 A A H < S+ 0 0 20 -4,-2.3 2,-0.4 -8,-0.1 -2,-0.2 0.841 106.5 66.0 -72.6 -36.0 47.5 41.5 132.4 48 54 A C S < S- 0 0 6 -4,-2.8 2,-1.4 -5,-0.3 -36,-0.1 -0.762 71.0-144.8 -95.2 128.7 43.9 40.5 133.2 49 55 A Y - 0 0 156 -2,-0.4 2,-0.2 -38,-0.3 136,-0.1 -0.743 32.8-151.9 -83.9 88.7 43.0 37.8 135.8 50 56 A W + 0 0 38 -2,-1.4 -38,-0.1 -5,-0.3 -37,-0.0 -0.467 28.0 168.7 -70.2 127.0 40.0 36.6 133.7 51 57 A F + 0 0 59 -2,-0.2 2,-0.2 -38,-0.1 -1,-0.1 0.108 31.3 121.7-130.3 22.3 37.2 35.1 135.8 52 58 A Q - 0 0 21 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.609 68.4-123.9 -85.4 148.8 34.3 34.8 133.4 53 59 A D S S+ 0 0 113 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.454 99.1 63.4 -74.5 -1.0 32.7 31.3 132.8 54 60 A R S S- 0 0 172 1,-0.0 -2,-0.2 3,-0.0 -3,-0.0 -0.980 97.3-106.1-118.9 140.3 33.4 31.8 129.1 55 61 A D - 0 0 106 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.106 45.7 -81.5 -60.4 156.5 37.0 32.1 127.8 56 62 A I - 0 0 12 1,-0.1 -1,-0.2 -4,-0.1 5,-0.1 -0.354 58.8 -97.0 -52.0 132.6 38.5 35.4 126.6 57 63 A P >> - 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-1.1 -0.401 34.3-124.2 -54.2 133.8 37.5 36.1 123.0 58 64 A E H 3> S+ 0 0 135 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.806 105.9 56.5 -55.0 -39.0 40.3 34.9 120.8 59 65 A N H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.632 109.9 45.7 -70.2 -15.1 40.8 38.2 119.0 60 66 A I H X4 S+ 0 0 0 -3,-1.7 3,-1.3 2,-0.1 -16,-0.4 0.669 89.4 84.7-101.1 -22.9 41.4 40.1 122.2 61 67 A K H 3< S+ 0 0 33 -4,-1.1 -16,-2.1 -3,-0.3 -15,-0.3 0.872 98.6 35.0 -48.3 -50.9 43.8 37.7 124.0 62 68 A D T 3< S+ 0 0 90 -4,-0.5 -1,-0.3 -19,-0.2 2,-0.2 0.387 87.3 123.5 -91.3 2.4 47.0 39.0 122.3 63 69 A X < - 0 0 50 -3,-1.3 -19,-2.4 -20,-0.1 2,-0.4 -0.489 65.4-121.4 -68.0 128.8 45.9 42.6 122.2 64 70 A V B -G 43 0B 78 -2,-0.2 -31,-0.4 -21,-0.2 -21,-0.3 -0.593 19.5-127.9 -80.8 125.0 48.5 44.8 124.0 65 71 A V - 0 0 1 -23,-3.1 -24,-2.9 -2,-0.4 -31,-0.2 -0.500 26.2-157.6 -69.6 135.0 47.2 46.9 127.0 66 72 A I E -c 34 0A 12 -33,-3.0 -31,-1.5 -26,-0.2 -27,-0.1 -0.734 24.0 -90.8-111.4 160.2 48.1 50.6 126.8 67 73 A P E -c 35 0A 30 0, 0.0 2,-1.9 0, 0.0 -31,-0.1 -0.287 45.9 -98.1 -65.2 157.3 48.3 53.3 129.5 68 74 A T S S+ 0 0 22 -33,-0.8 -31,-0.1 -34,-0.1 -60,-0.0 -0.566 78.1 130.8 -77.2 81.7 45.3 55.4 130.4 69 75 A D > - 0 0 64 -2,-1.9 3,-1.6 1,-0.1 6,-0.2 -0.960 50.5-155.7-142.2 115.8 46.4 58.3 128.3 70 76 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.708 96.1 60.2 -66.3 -20.2 44.0 60.1 125.8 71 77 A K T 3 S+ 0 0 146 3,-0.0 5,-0.1 5,-0.0 26,-0.0 0.506 79.5 124.4 -83.0 -7.6 47.0 61.3 123.8 72 78 A H S X S- 0 0 51 -3,-1.6 3,-1.9 -5,-0.1 4,-0.2 -0.185 72.9-119.4 -59.2 146.1 48.2 57.7 123.1 73 79 A E G > S+ 0 0 143 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.799 112.5 59.2 -53.8 -35.5 48.6 56.6 119.4 74 80 A E G 3 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.602 101.4 55.6 -73.8 -12.6 46.0 53.9 119.8 75 81 A F G X S+ 0 0 0 -3,-1.9 3,-0.7 -6,-0.2 -1,-0.2 0.349 79.6 96.2 -98.8 4.0 43.3 56.5 120.7 76 82 A E T < S+ 0 0 135 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.927 93.4 30.6 -63.6 -50.8 43.8 58.6 117.6 77 83 A D T 3 S+ 0 0 132 -4,-0.3 2,-0.6 -3,-0.1 -73,-0.4 0.273 101.7 103.5 -91.0 10.7 40.9 57.2 115.5 78 84 A V < + 0 0 1 -3,-0.7 -73,-0.1 1,-0.2 3,-0.1 -0.853 31.1 159.6-103.4 118.5 38.8 56.5 118.6 79 85 A D + 0 0 99 -75,-0.8 24,-3.2 -2,-0.6 2,-0.6 0.741 64.8 63.1-101.9 -35.4 35.9 58.8 119.4 80 86 A I E +bd 5 103A 10 -76,-0.8 -74,-1.6 22,-0.2 2,-0.5 -0.850 63.3 179.8 -99.6 117.4 33.9 56.5 121.7 81 87 A V E -bd 6 104A 0 22,-3.0 24,-2.5 -2,-0.6 2,-0.3 -0.972 15.1-150.0-122.3 121.5 35.6 55.4 124.9 82 88 A F E -bd 7 105A 0 -76,-3.0 -74,-3.5 -2,-0.5 2,-0.5 -0.688 13.3-149.0 -88.1 140.3 34.0 53.2 127.5 83 89 A S E +bd 8 106A 0 22,-2.7 24,-2.5 -2,-0.3 25,-0.3 -0.943 33.0 161.2-121.8 122.9 34.9 53.6 131.1 84 90 A A + 0 0 20 -76,-2.7 -69,-0.3 -2,-0.5 -70,-0.2 -0.062 41.0 138.8-116.8 26.5 35.0 50.9 133.8 85 91 A L - 0 0 13 1,-0.1 2,-0.1 -71,-0.1 22,-0.1 -0.356 61.0-104.6 -73.4 149.4 37.3 53.0 136.1 86 92 A P >> - 0 0 73 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.473 42.7-104.1 -65.8 150.4 36.9 53.4 139.9 87 93 A S H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.812 117.5 50.8 -48.3 -47.3 35.3 56.7 140.8 88 94 A D H 3> S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.840 114.6 44.0 -65.2 -34.4 38.5 58.5 142.1 89 95 A L H <> S+ 0 0 72 -3,-0.8 4,-2.7 2,-0.2 5,-0.3 0.754 109.5 58.1 -77.9 -27.1 40.4 57.5 138.9 90 96 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.871 99.6 57.4 -68.7 -38.7 37.4 58.5 136.8 91 97 A K H < S+ 0 0 126 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.775 115.5 38.4 -60.9 -28.2 37.5 62.1 138.3 92 98 A K H X S+ 0 0 122 -4,-0.5 4,-0.6 -5,-0.2 -2,-0.2 0.923 125.9 30.8 -85.5 -53.3 41.0 62.3 137.0 93 99 A F H X S+ 0 0 36 -4,-2.7 4,-1.7 2,-0.2 -3,-0.2 0.821 107.3 63.4 -84.0 -36.4 40.9 60.6 133.6 94 100 A E H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.893 104.5 47.4 -63.6 -43.3 37.4 61.1 132.3 95 101 A P H > S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.848 109.3 56.9 -61.2 -33.9 37.7 65.0 132.0 96 102 A E H X S+ 0 0 66 -4,-0.6 4,-0.8 2,-0.2 -2,-0.2 0.869 109.4 44.4 -62.1 -39.8 41.1 64.4 130.3 97 103 A F H <>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 3,-0.2 0.859 111.3 52.6 -74.0 -38.6 39.4 62.2 127.6 98 104 A A H ><5S+ 0 0 0 -4,-2.1 45,-1.6 1,-0.2 3,-1.5 0.872 106.1 55.1 -62.5 -38.5 36.5 64.7 127.2 99 105 A K H 3<5S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.3 43,-0.2 0.760 101.7 57.8 -66.1 -27.4 39.0 67.5 126.6 100 106 A E T 3<5S- 0 0 80 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.326 126.2-103.2 -83.5 6.7 40.6 65.4 123.8 101 107 A G T < 5S+ 0 0 21 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.628 76.4 139.5 84.0 15.8 37.2 65.4 122.1 102 108 A K < - 0 0 13 -5,-2.2 42,-1.5 41,-0.1 2,-0.7 -0.668 53.9-124.6 -95.1 146.9 36.3 61.9 123.1 103 109 A L E -de 80 144A 21 -24,-3.2 -22,-3.0 -2,-0.3 2,-0.6 -0.827 24.0-152.5 -89.2 116.6 32.9 60.7 124.2 104 110 A I E -de 81 145A 0 40,-3.4 42,-3.8 -2,-0.7 2,-0.7 -0.832 10.2-169.2 -92.8 118.6 33.1 58.9 127.6 105 111 A F E -de 82 146A 0 -24,-2.5 -22,-2.7 -2,-0.6 2,-0.4 -0.920 27.3-169.1-105.4 102.9 30.5 56.3 128.2 106 112 A S E -de 83 147A 0 40,-2.9 42,-2.5 -2,-0.7 -22,-0.2 -0.763 42.6-175.5-113.8 138.3 31.0 55.6 131.9 107 113 A N + 0 0 27 -24,-2.5 -23,-0.1 -2,-0.4 -1,-0.1 0.513 62.0 110.7 -94.7 -11.5 30.0 53.1 134.5 108 114 A A - 0 0 6 -25,-0.3 3,-0.4 1,-0.1 4,-0.2 -0.332 68.2-138.9 -66.1 145.7 31.8 55.1 137.2 109 115 A S S >> S+ 0 0 36 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.628 80.0 96.5 -79.1 -13.8 29.7 57.0 139.8 110 116 A A T 34 S+ 0 0 18 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.837 96.1 21.4 -46.7 -53.5 32.0 60.1 139.8 111 117 A Y T >4 S+ 0 0 27 -3,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.406 92.8 103.9-103.1 2.6 30.0 62.2 137.3 112 118 A R T <4 S+ 0 0 12 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.836 86.4 40.1 -52.1 -43.4 26.5 60.6 137.6 113 119 A X T 3< S+ 0 0 80 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.3 0.289 82.6 119.1-100.2 10.1 25.0 63.4 139.8 114 120 A E X - 0 0 78 -3,-1.5 3,-1.7 1,-0.1 -3,-0.0 -0.602 68.1-131.7 -70.7 134.5 26.6 66.3 138.0 115 121 A E T 3 S+ 0 0 112 -2,-0.3 109,-0.3 1,-0.3 -1,-0.1 0.680 105.0 47.6 -69.6 -18.1 23.7 68.5 136.7 116 122 A D T 3 S+ 0 0 14 18,-0.1 19,-0.3 107,-0.1 -1,-0.3 0.266 96.2 90.2-102.3 9.2 25.3 68.8 133.2 117 123 A V S < S- 0 0 1 -3,-1.7 2,-0.1 -6,-0.1 29,-0.1 -0.926 78.0-124.7-111.4 123.6 26.0 65.0 132.9 118 124 A P - 0 0 0 0, 0.0 29,-2.5 0, 0.0 2,-0.6 -0.441 16.6-165.3 -63.9 132.1 23.5 62.6 131.4 119 125 A L B -f 147 0A 0 -2,-0.1 2,-0.4 27,-0.1 29,-0.2 -0.919 32.0-176.2-116.3 97.7 22.6 59.7 133.7 120 126 A V + 0 0 2 27,-2.6 219,-0.1 -2,-0.6 6,-0.1 -0.841 44.9 172.2-122.9 134.2 20.9 57.4 131.2 121 127 A I >> - 0 0 4 -2,-0.4 3,-2.4 94,-0.1 4,-2.3 -0.984 35.6-141.6-117.2 118.0 19.0 54.2 130.7 122 128 A P H 3> S+ 0 0 6 0, 0.0 4,-0.7 0, 0.0 5,-0.1 0.769 98.9 52.4 -56.8 -31.5 17.9 54.4 127.0 123 129 A E H 34 S+ 0 0 8 2,-0.1 146,-0.1 1,-0.1 -3,-0.0 0.677 121.2 32.9 -71.5 -19.0 14.5 52.8 127.7 124 130 A V H <4 S+ 0 0 12 -3,-2.4 -1,-0.1 146,-0.0 3,-0.1 0.865 134.6 2.1-108.2 -52.5 13.8 55.3 130.4 125 131 A N H >< + 0 0 2 -4,-2.3 3,-1.9 1,-0.1 4,-0.2 -0.264 63.7 148.4-143.5 48.2 15.3 58.8 129.8 126 132 A A G >< S+ 0 0 15 -4,-0.7 3,-1.5 1,-0.3 4,-0.1 0.775 71.5 67.6 -56.9 -28.7 17.1 58.9 126.5 127 133 A D G > S+ 0 0 79 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.718 81.2 76.4 -65.4 -22.2 16.2 62.6 126.1 128 134 A H G X S+ 0 0 2 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.593 72.9 82.6 -65.4 -11.3 18.6 63.4 129.0 129 135 A L G X S+ 0 0 2 -3,-1.5 3,-1.9 1,-0.3 -1,-0.3 0.764 72.6 76.7 -61.9 -26.0 21.4 62.9 126.5 130 136 A E G X> S+ 0 0 103 -3,-1.8 3,-1.7 1,-0.3 4,-0.7 0.696 73.1 82.3 -55.3 -22.6 20.7 66.5 125.5 131 137 A L H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.3 -1,-0.3 0.684 72.8 74.8 -58.8 -20.4 22.6 67.5 128.7 132 138 A I H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.793 91.1 55.7 -64.7 -27.7 25.9 67.1 126.8 133 139 A E H <> S+ 0 0 90 -3,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.881 110.5 43.5 -71.1 -39.6 25.2 70.4 125.0 134 140 A I H X S+ 0 0 44 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.874 113.1 55.0 -66.4 -38.7 24.8 72.2 128.3 135 141 A Q H X S+ 0 0 0 -4,-2.4 4,-2.8 -19,-0.3 5,-0.4 0.885 105.0 50.6 -61.9 -44.5 27.9 70.3 129.5 136 142 A R H X S+ 0 0 73 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.856 111.7 49.5 -64.3 -36.7 30.1 71.5 126.5 137 143 A E H < S+ 0 0 161 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.960 117.9 38.1 -61.7 -54.6 29.0 75.1 127.3 138 144 A K H < S+ 0 0 151 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.893 125.1 35.4 -66.3 -45.7 29.8 74.8 131.1 139 145 A R H < S- 0 0 87 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.707 95.4-134.6 -89.0 -24.0 33.0 72.7 130.9 140 146 A G < + 0 0 68 -4,-1.3 2,-0.3 -5,-0.4 -4,-0.1 0.698 61.3 122.1 76.3 21.0 34.5 74.1 127.7 141 147 A W - 0 0 20 -6,-0.3 -1,-0.3 2,-0.1 -42,-0.2 -0.760 59.5-141.0-108.1 162.0 35.4 70.8 126.1 142 148 A D S S+ 0 0 110 -44,-0.4 -43,-0.1 -2,-0.3 -6,-0.1 0.516 84.1 65.2-101.2 -8.1 34.2 69.3 122.8 143 149 A G S S- 0 0 0 -45,-1.6 2,-0.3 -48,-0.1 -40,-0.2 -0.029 77.2-135.6 -85.7-159.1 33.9 65.7 124.0 144 150 A A E -e 103 0A 0 -42,-1.5 -40,-3.4 -50,-0.1 2,-0.5 -0.988 9.4-132.6-159.6 156.5 31.3 64.6 126.6 145 151 A I E -e 104 0A 0 -2,-0.3 2,-0.5 -42,-0.2 -40,-0.2 -0.973 26.5-179.4-114.4 116.5 30.9 62.4 129.7 146 152 A I E -e 105 0A 0 -42,-3.8 -40,-2.9 -2,-0.5 2,-0.3 -0.974 10.0-162.5-119.4 121.1 27.8 60.2 129.5 147 153 A T E -ef 106 119A 0 -29,-2.5 -27,-2.6 -2,-0.5 -40,-0.2 -0.773 15.3-149.5-109.8 147.9 27.1 57.9 132.5 148 154 A N - 0 0 0 -42,-2.5 -27,-0.1 -2,-0.3 -36,-0.1 -0.779 36.4-106.5 -99.4 155.9 25.0 54.9 133.2 149 155 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 186,-0.1 -0.088 42.5 -67.2 -77.2 176.0 23.5 54.4 136.7 150 156 A N > - 0 0 8 1,-0.1 4,-2.5 57,-0.1 3,-0.2 -0.366 48.4-118.8 -54.6 137.0 24.3 52.1 139.7 151 157 A C H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.866 114.0 47.9 -51.2 -45.1 23.4 48.5 138.9 152 158 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 111.5 51.4 -65.0 -38.6 20.8 48.2 141.7 153 159 A T H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.913 105.7 54.8 -64.7 -44.6 19.3 51.5 140.6 154 160 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.921 106.6 50.7 -55.4 -50.1 19.0 50.3 137.0 155 161 A C H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.923 116.4 40.2 -54.9 -51.1 17.0 47.2 137.9 156 162 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 3,-0.3 0.927 114.4 51.8 -65.2 -47.6 14.5 49.1 140.0 157 163 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.887 104.3 56.3 -62.7 -42.4 14.1 52.1 137.7 158 164 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.889 113.0 42.2 -54.8 -41.7 13.4 49.9 134.6 159 165 A T H X S+ 0 0 0 -4,-1.1 4,-0.6 -3,-0.3 -2,-0.2 0.850 115.0 50.1 -73.7 -35.5 10.5 48.3 136.5 160 166 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.782 96.0 72.7 -74.3 -29.1 9.2 51.6 138.0 161 167 A K H X S+ 0 0 38 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.916 99.0 41.0 -57.3 -56.6 9.2 53.5 134.7 162 168 A P H > S+ 0 0 6 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.800 116.0 53.8 -63.4 -27.4 6.2 52.0 132.9 163 169 A I H X>S+ 0 0 0 -4,-0.6 4,-2.9 2,-0.2 5,-0.7 0.894 109.3 47.3 -69.1 -42.2 4.3 52.0 136.3 164 170 A X H X5S+ 0 0 45 -4,-2.5 4,-0.9 3,-0.2 -1,-0.2 0.875 108.2 55.0 -67.8 -39.9 5.0 55.8 136.7 165 171 A D H <5S+ 0 0 99 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.871 122.5 26.3 -60.3 -40.0 3.9 56.6 133.2 166 172 A K H <5S+ 0 0 121 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.867 141.3 13.5 -93.4 -43.9 0.5 55.0 133.6 167 173 A F H <5S- 0 0 12 -4,-2.9 87,-2.4 -5,-0.2 86,-1.3 0.513 94.7-131.1-115.8 -9.3 -0.3 55.1 137.4 168 174 A G << - 0 0 11 -4,-0.9 85,-0.5 -5,-0.7 2,-0.4 0.076 22.4 -96.5 71.3 168.5 2.3 57.5 138.8 169 175 A L + 0 0 6 83,-0.3 83,-0.3 1,-0.1 59,-0.1 -0.984 39.2 161.2-128.1 135.2 4.5 56.9 141.9 170 176 A E S S- 0 0 89 81,-3.1 60,-3.2 -2,-0.4 2,-0.3 0.745 72.2 -2.4-106.6 -55.8 4.1 57.9 145.5 171 177 A A E -hI 230 251C 6 80,-1.4 80,-3.0 58,-0.2 2,-0.4 -0.999 53.9-166.7-147.9 141.7 6.4 55.6 147.5 172 178 A V E -hI 231 250C 0 58,-2.0 60,-2.7 -2,-0.3 2,-0.5 -0.988 2.7-165.7-135.2 124.2 8.8 52.7 146.8 173 179 A F E -hI 232 249C 0 76,-2.4 76,-2.5 -2,-0.4 2,-0.4 -0.925 13.8-175.0-103.4 133.0 10.4 50.3 149.3 174 180 A I E -hI 233 248C 0 58,-2.6 60,-2.5 -2,-0.5 2,-0.4 -0.995 14.1-176.8-131.1 130.7 13.3 48.2 148.0 175 181 A A E -hI 234 247C 4 72,-2.1 72,-3.3 -2,-0.4 2,-0.3 -0.993 20.3-158.4-121.6 123.4 15.3 45.4 149.7 176 182 A T E - I 0 246C 0 58,-2.6 2,-0.4 -2,-0.4 60,-0.4 -0.711 21.8-162.5-106.8 151.5 18.2 44.0 147.7 177 183 A X E - I 0 245C 4 68,-3.1 68,-2.3 -2,-0.3 2,-0.4 -0.909 31.4-159.3-127.2 101.0 20.1 40.8 147.7 178 184 A Q B -m 237 0D 0 58,-3.2 60,-2.3 -2,-0.4 62,-0.3 -0.686 12.0-129.9-103.0 133.8 23.3 41.6 145.7 179 185 A A - 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0 0 87 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.318 21.3-115.7 -64.5 151.1 18.8 21.2 147.7 539 196 B S H >> S+ 0 0 77 1,-0.3 4,-1.8 2,-0.2 3,-1.0 0.868 115.0 55.7 -56.2 -38.5 22.3 22.5 147.2 540 197 B X H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.578 94.2 67.8 -77.0 -7.0 21.4 23.8 143.7 541 198 B A H <4 S+ 0 0 12 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.801 121.1 16.0 -73.0 -30.2 18.6 25.9 145.1 542 199 B I H X< S+ 0 0 25 -3,-1.0 3,-1.0 -4,-0.7 2,-0.7 0.426 92.9 109.1-127.3 -4.1 21.1 28.2 146.9 543 200 B L T 3< S- 0 0 111 -4,-1.8 3,-0.1 1,-0.3 -303,-0.1 -0.721 113.3 -18.5 -80.4 115.7 24.6 27.5 145.3 544 201 B D T 3 S+ 0 0 34 -2,-0.7 -1,-0.3 -305,-0.5 2,-0.3 0.882 138.2 75.6 49.8 42.5 25.3 30.7 143.3 545 202 B N < - 0 0 1 -3,-1.0 43,-0.3 -306,-0.6 2,-0.3 -0.965 60.8-156.0-164.6 166.7 21.6 31.2 143.6 546 203 B L - 0 0 0 -2,-0.3 41,-0.2 41,-0.1 -251,-0.2 -0.960 19.0-128.9-150.3 163.3 18.7 32.3 145.9 547 204 B I B -C 586 0I 25 39,-2.3 39,-3.2 -2,-0.3 2,-0.7 -0.967 4.8-155.1-120.6 119.3 14.9 31.6 145.9 548 205 B P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.059 75.5 63.2 -82.9 36.9 12.5 34.6 146.1 549 206 B F + 0 0 42 -2,-0.7 2,-0.3 -259,-0.2 37,-0.2 -0.960 47.2 179.5-163.5 131.9 9.8 32.3 147.7 550 207 B I >> - 0 0 22 -2,-0.3 3,-2.2 34,-0.1 4,-0.5 -0.921 47.4-107.2-135.7 114.0 9.2 30.2 150.7 551 208 B K T 34 S- 0 0 148 -2,-0.3 -2,-0.0 1,-0.3 -262,-0.0 -0.108 93.3 -11.6 -48.9 123.6 5.7 28.6 150.7 552 209 B N T 3> S+ 0 0 78 1,-0.1 4,-2.4 3,-0.0 -1,-0.3 0.341 100.1 117.0 71.1 -2.2 3.3 30.2 153.1 553 210 B E H <> S+ 0 0 13 -3,-2.2 4,-2.2 1,-0.2 5,-0.1 0.904 75.8 45.2 -64.9 -45.0 6.1 32.1 154.9 554 211 B E H X S+ 0 0 18 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.889 113.1 51.3 -65.7 -40.7 4.7 35.6 154.0 555 212 B E H > S+ 0 0 128 2,-0.2 4,-1.2 1,-0.2 5,-0.3 0.903 110.3 49.5 -61.7 -43.5 1.1 34.6 155.0 556 213 B K H X>S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.923 112.2 47.2 -61.7 -46.3 2.4 33.3 158.4 557 214 B X H X5S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.868 112.9 49.5 -61.6 -39.0 4.3 36.5 159.1 558 215 B Q H <5S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.674 124.3 27.7 -76.5 -18.6 1.3 38.6 158.1 559 216 B T H >X5S+ 0 0 58 -4,-1.2 4,-1.1 -3,-0.5 3,-0.7 0.811 115.2 53.3-110.9 -48.5 -1.2 36.7 160.3 560 217 B E H 3X5S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.3 -3,-0.2 0.832 104.8 60.6 -59.0 -34.4 0.7 35.2 163.3 561 218 B S H 3X< S+ 0 0 10 -4,-1.1 3,-1.1 12,-0.2 -2,-0.2 0.909 112.7 51.1 -72.0 -45.7 -2.3 37.4 167.1 564 221 B L H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.880 118.1 37.9 -57.5 -43.2 1.0 37.7 169.0 565 222 B L T 3< S+ 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.241 102.5 106.1 -95.2 11.8 0.6 41.4 169.3 566 223 B G S < S- 0 0 10 -3,-1.1 2,-0.5 10,-0.1 9,-0.2 -0.167 72.5-105.4 -82.5 179.5 -3.1 41.2 169.9 567 224 B T E -D 574 0J 88 7,-2.4 7,-3.8 2,-0.0 2,-0.5 -0.938 18.5-132.2-115.5 125.9 -5.1 41.6 173.1 568 225 B L E +D 573 0J 32 -2,-0.5 2,-0.3 5,-0.3 5,-0.3 -0.651 40.6 163.5 -71.9 122.2 -6.7 38.8 175.1 569 226 B K E > -D 572 0J 115 3,-3.6 3,-1.2 -2,-0.5 -2,-0.0 -0.954 59.2 -12.5-150.9 121.5 -10.3 39.9 175.8 570 227 B D T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.911 129.1 -47.7 51.1 51.5 -13.3 37.8 177.0 571 228 B G T 3 S+ 0 0 27 1,-0.2 2,-0.3 -106,-0.0 -1,-0.2 0.517 124.8 85.2 74.7 6.7 -11.6 34.5 176.4 572 229 B K E < S-D 569 0J 84 -3,-1.2 -3,-3.6 -5,-0.1 2,-0.6 -0.973 78.4-115.4-137.3 151.2 -10.3 35.4 172.9 573 230 B V E -D 568 0J 21 -2,-0.3 2,-0.8 -109,-0.3 -5,-0.3 -0.791 25.3-147.1 -86.1 121.7 -7.3 37.1 171.3 574 231 B E E -D 567 0J 114 -7,-3.8 -7,-2.4 -2,-0.6 -2,-0.0 -0.828 28.2-118.4 -89.9 110.2 -8.4 40.3 169.6 575 232 B L - 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