==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-SEP-05 2AXQ . COMPND 2 MOLECULE: SACCHAROPINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.ANDI,P.F.COOK,A.H.WEST . 445 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.1 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 27 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 0 1 4 1 1 1 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 3 0 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 1 0 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 0 0 1 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 2 A G 0 0 83 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0-149.2 52.3 2.3 -4.8 2 3 A K E -a 26 0A 92 23,-3.1 25,-3.3 65,-0.0 2,-0.6 -0.712 360.0-136.2 -97.4 146.0 49.6 -0.3 -3.8 3 4 A N E -a 27 0A 56 -2,-0.3 65,-2.5 23,-0.2 66,-1.1 -0.896 19.7-170.4-107.3 118.3 48.6 -0.9 -0.2 4 5 A V E -ab 28 69A 0 23,-2.8 25,-2.6 -2,-0.6 2,-0.5 -0.926 7.0-159.1-111.7 125.8 48.2 -4.5 0.9 5 6 A L E -ab 29 70A 0 64,-2.7 66,-3.4 -2,-0.5 2,-0.5 -0.907 7.6-163.6 -99.3 129.8 46.6 -5.5 4.3 6 7 A L E -ab 30 71A 1 23,-3.1 25,-2.8 -2,-0.5 2,-0.6 -0.963 3.3-163.7-115.5 121.4 47.5 -9.0 5.6 7 8 A L E +ab 31 72A 2 64,-3.2 66,-2.8 -2,-0.5 2,-0.2 -0.903 47.6 75.2 -98.4 120.7 45.4 -10.5 8.3 8 9 A G - 0 0 3 23,-1.9 66,-0.1 -2,-0.6 23,-0.1 -0.584 47.8-155.3 149.9 146.7 47.1 -13.4 9.9 9 10 A S + 0 0 75 64,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.481 58.4 115.1-140.5 61.1 49.7 -14.9 12.2 10 11 A G S >> S- 0 0 40 63,-0.0 3,-0.9 381,-0.0 4,-0.5 -0.730 83.8-101.2-113.2 171.8 50.3 -18.4 10.9 11 12 A F T >4 S+ 0 0 150 -2,-0.3 3,-0.5 1,-0.2 377,-0.1 0.738 121.7 68.5 -65.0 -22.3 53.5 -19.6 9.3 12 13 A V T 3> S+ 0 0 39 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 88.3 65.4 -64.2 -32.4 51.7 -19.0 6.0 13 14 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 1,-0.2 3,-0.3 0.868 89.2 66.9 -58.3 -37.2 51.8 -15.3 6.6 14 15 A Q H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.826 115.1 53.0 -63.2 -29.3 56.4 -15.8 2.8 16 17 A V H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 5,-0.3 0.969 112.9 42.2 -67.3 -53.8 53.4 -13.7 1.7 17 18 A I H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.967 118.3 48.0 -53.4 -53.0 54.5 -10.6 3.6 18 19 A D H X S+ 0 0 29 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.873 113.5 43.3 -63.0 -42.2 58.1 -11.2 2.6 19 20 A T H < S+ 0 0 24 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.878 119.9 43.2 -72.7 -33.8 57.6 -11.7 -1.2 20 21 A L H >< S+ 0 0 1 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.920 111.4 52.6 -76.0 -44.4 55.1 -8.8 -1.5 21 22 A A H 3< S+ 0 0 24 -4,-3.3 5,-0.2 -5,-0.3 -1,-0.2 0.775 97.4 68.3 -64.3 -25.6 57.1 -6.3 0.7 22 23 A A T 3< S+ 0 0 77 -4,-1.2 2,-0.4 -5,-0.3 -1,-0.3 0.714 82.5 90.0 -62.0 -24.0 60.1 -7.0 -1.6 23 24 A N S X S- 0 0 52 -3,-1.6 3,-1.4 -4,-0.3 -3,-0.0 -0.654 75.7-145.8 -76.5 127.1 58.2 -5.2 -4.3 24 25 A D T 3 S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.841 96.5 52.3 -64.8 -32.0 59.0 -1.5 -4.2 25 26 A D T 3 S+ 0 0 113 -24,-0.1 -23,-3.1 2,-0.0 2,-0.4 0.075 96.5 79.9 -94.5 21.1 55.5 -0.5 -5.3 26 27 A I E < -a 2 0A 13 -3,-1.4 2,-0.6 -25,-0.2 -23,-0.2 -0.996 58.7-163.1-129.8 129.3 53.7 -2.5 -2.6 27 28 A N E -a 3 0A 78 -25,-3.3 -23,-2.8 -2,-0.4 2,-0.4 -0.948 14.5-157.3-112.2 112.8 53.2 -1.4 1.0 28 29 A V E -a 4 0A 5 -2,-0.6 20,-1.5 -25,-0.2 2,-0.5 -0.764 9.9-168.0 -95.8 136.6 52.3 -4.2 3.3 29 30 A T E -ac 5 48A 10 -25,-2.6 -23,-3.1 -2,-0.4 2,-0.5 -0.996 11.7-151.4-117.3 124.1 50.6 -3.8 6.6 30 31 A V E -ac 6 49A 0 18,-2.2 20,-2.7 -2,-0.5 2,-0.5 -0.849 12.0-169.5 -95.0 130.0 50.4 -6.8 8.9 31 32 A A E +ac 7 50A 4 -25,-2.8 -23,-1.9 -2,-0.5 2,-0.3 -0.983 17.7 149.6-124.2 120.5 47.5 -7.0 11.3 32 33 A C E - c 0 51A 8 18,-1.3 20,-1.7 -2,-0.5 6,-0.1 -0.882 60.7 -95.6-132.4 168.9 47.2 -9.5 14.1 33 34 A R S S+ 0 0 217 -2,-0.3 2,-0.5 18,-0.3 18,-0.1 0.878 112.3 50.0 -49.7 -41.9 45.5 -9.3 17.5 34 35 A T S > S- 0 0 80 17,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.888 75.8-141.4-111.6 127.6 48.8 -8.2 19.2 35 36 A L H > S+ 0 0 73 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.836 101.7 58.3 -48.1 -38.8 51.0 -5.4 17.9 36 37 A A H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 103.4 50.8 -65.0 -47.6 54.2 -7.4 18.7 37 38 A N H > S+ 0 0 71 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.909 114.4 44.5 -45.8 -53.7 53.3 -10.4 16.5 38 39 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.887 112.2 51.3 -66.3 -38.6 52.6 -8.1 13.6 39 40 A Q H X S+ 0 0 109 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.850 113.8 46.7 -67.1 -29.9 55.8 -6.1 14.3 40 41 A A H < S+ 0 0 61 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.909 114.3 44.4 -76.8 -48.8 57.7 -9.5 14.4 41 42 A L H < S+ 0 0 20 -4,-3.1 4,-0.3 1,-0.2 -2,-0.2 0.860 121.6 42.2 -58.7 -36.8 56.1 -10.8 11.2 42 43 A A H >X>S+ 0 0 1 -4,-2.7 5,-2.3 -5,-0.2 4,-1.1 0.718 95.4 83.2 -82.7 -23.2 56.7 -7.3 9.7 43 44 A K G ><5S+ 0 0 172 -4,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.876 83.2 55.9 -53.5 -51.9 60.2 -6.9 11.1 44 45 A P G 345S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.875 122.0 29.3 -50.7 -41.3 62.2 -8.9 8.4 45 46 A S G <45S- 0 0 44 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.457 106.8-120.6 -98.6 -2.1 60.8 -6.7 5.7 46 47 A G T <<5 + 0 0 66 -4,-1.1 -3,-0.2 -3,-0.9 2,-0.1 0.902 55.2 165.5 62.5 40.1 60.3 -3.5 7.7 47 48 A S < - 0 0 22 -5,-2.3 -18,-0.2 1,-0.1 -1,-0.2 -0.460 45.4 -92.9 -83.2 159.1 56.6 -3.5 6.9 48 49 A K E -c 29 0A 144 -20,-1.5 -18,-2.2 -2,-0.1 2,-0.3 -0.385 46.9-165.7 -63.8 150.9 54.0 -1.5 8.7 49 50 A A E +c 30 0A 19 -20,-0.2 2,-0.3 -3,-0.1 -18,-0.2 -0.996 13.4 166.0-147.9 137.4 52.4 -3.4 11.6 50 51 A I E -c 31 0A 47 -20,-2.7 -18,-1.3 -2,-0.3 2,-0.3 -0.932 33.9-112.7-145.2 165.5 49.3 -2.9 13.7 51 52 A S E +c 32 0A 68 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.3 -0.755 37.9 179.2 -97.0 155.3 47.0 -4.7 16.1 52 53 A L - 0 0 14 -20,-1.7 2,-0.7 -2,-0.3 -18,-0.1 -0.893 29.6-152.5-164.8 127.3 43.5 -5.5 15.1 53 54 A D > - 0 0 84 -2,-0.3 3,-1.5 1,-0.1 7,-0.2 -0.890 14.2-159.7 -97.6 111.8 40.4 -7.2 16.4 54 55 A V T 3 S+ 0 0 21 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.689 88.4 62.3 -70.0 -18.0 38.4 -8.5 13.3 55 56 A T T 3 S+ 0 0 78 1,-0.1 2,-1.1 -3,-0.0 -1,-0.3 0.591 82.5 88.9 -80.0 -10.8 35.2 -8.7 15.3 56 57 A D <> - 0 0 72 -3,-1.5 4,-2.6 1,-0.2 3,-0.2 -0.775 65.7-163.5 -89.5 97.0 35.3 -4.9 15.8 57 58 A D H > S+ 0 0 84 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.856 87.0 47.6 -45.7 -47.4 33.4 -3.6 12.7 58 59 A S H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 112.9 47.1 -66.1 -41.1 34.7 -0.0 13.1 59 60 A A H > S+ 0 0 33 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.913 114.3 49.0 -66.6 -38.5 38.3 -1.1 13.6 60 61 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.2 5,-0.2 0.933 111.1 48.0 -69.1 -46.9 38.1 -3.4 10.7 61 62 A D H X S+ 0 0 38 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.908 106.6 59.0 -58.2 -43.8 36.6 -0.8 8.3 62 63 A K H X S+ 0 0 162 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.948 112.8 36.6 -54.6 -48.6 39.2 1.8 9.3 63 64 A V H >< S+ 0 0 12 -4,-1.7 3,-1.0 2,-0.2 4,-0.2 0.909 113.7 54.1 -79.1 -37.4 42.1 -0.3 8.2 64 65 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.940 105.8 55.6 -55.8 -45.2 40.5 -1.9 5.1 65 66 A A H 3< S+ 0 0 63 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.704 101.0 59.0 -59.7 -22.7 39.7 1.6 3.8 66 67 A D T << S+ 0 0 107 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.3 0.409 106.8 60.4 -81.8 -1.0 43.4 2.4 4.2 67 68 A N S < S- 0 0 14 -3,-2.1 -63,-0.2 -4,-0.2 3,-0.1 -0.857 70.1-139.4-131.7 161.3 44.3 -0.3 1.7 68 69 A D S S+ 0 0 63 -65,-2.5 24,-1.4 -2,-0.3 2,-0.3 0.708 90.1 5.7 -88.5 -25.1 43.6 -1.5 -1.8 69 70 A V E -bd 4 92A 0 -66,-1.1 -64,-2.7 22,-0.2 2,-0.4 -0.981 62.7-143.3-156.5 148.8 43.3 -5.3 -1.0 70 71 A V E -bd 5 93A 0 22,-2.2 24,-2.4 -2,-0.3 2,-0.7 -0.986 6.7-152.9-120.1 131.4 43.1 -7.4 2.1 71 72 A I E -bd 6 94A 0 -66,-3.4 -64,-3.2 -2,-0.4 2,-0.8 -0.923 13.9-155.4-100.7 117.0 44.6 -10.9 2.3 72 73 A S E +bd 7 95A 1 22,-2.5 24,-0.5 -2,-0.7 -64,-0.1 -0.849 29.0 158.3 -99.8 100.7 42.7 -12.9 4.9 73 74 A L + 0 0 31 -66,-2.8 -64,-0.3 -2,-0.8 -60,-0.1 -0.104 44.6 104.9-110.5 30.4 44.8 -15.7 6.3 74 75 A I S S- 0 0 29 1,-0.2 5,-0.1 -66,-0.1 -67,-0.0 -0.587 88.9 -57.1-102.7 168.6 42.8 -16.0 9.5 75 76 A P > - 0 0 81 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.154 51.8-118.7 -47.9 142.0 40.3 -18.9 10.2 76 77 A Y G > S+ 0 0 138 1,-0.3 3,-0.9 2,-0.2 24,-0.1 0.661 108.7 70.6 -61.6 -22.0 37.6 -19.2 7.6 77 78 A T G 3 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.710 99.4 52.0 -67.3 -19.6 34.8 -18.5 10.1 78 79 A F G <> S+ 0 0 67 -3,-2.2 4,-1.7 1,-0.2 3,-0.5 0.569 82.8 87.8 -89.2 -13.1 36.1 -14.9 10.1 79 80 A H H <> S+ 0 0 4 -3,-0.9 4,-3.2 -4,-0.3 5,-0.2 0.863 83.0 58.9 -58.3 -38.3 36.1 -14.3 6.3 80 81 A P H > S+ 0 0 14 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.913 104.9 50.0 -55.8 -44.5 32.4 -13.1 6.4 81 82 A N H > S+ 0 0 43 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.890 113.7 46.4 -54.1 -45.7 33.4 -10.3 8.9 82 83 A V H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.918 114.2 46.7 -63.9 -46.5 36.3 -9.4 6.5 83 84 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.886 108.5 54.5 -69.2 -40.0 34.0 -9.5 3.5 84 85 A K H X S+ 0 0 109 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.904 112.7 45.4 -56.1 -42.2 31.2 -7.5 5.1 85 86 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.918 110.5 52.8 -66.6 -43.0 33.9 -4.8 5.8 86 87 A A H X>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 4,-1.0 0.852 107.9 52.0 -62.1 -34.4 35.2 -5.1 2.3 87 88 A I H <5S+ 0 0 24 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.951 112.5 45.5 -65.0 -48.0 31.7 -4.5 0.9 88 89 A R H <5S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.880 123.0 34.5 -60.8 -40.9 31.3 -1.4 3.1 89 90 A T H <5S- 0 0 32 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.458 104.3-123.0 -95.6 -5.0 34.8 -0.0 2.2 90 91 A K T <5 + 0 0 136 -4,-1.0 2,-0.4 -3,-0.5 -3,-0.2 0.978 58.0 151.8 53.3 60.4 34.9 -1.2 -1.4 91 92 A T < - 0 0 3 -5,-1.9 -1,-0.2 -8,-0.1 -22,-0.2 -0.951 45.1-120.7-118.7 139.9 38.2 -3.2 -0.8 92 93 A D E -d 69 0A 38 -24,-1.4 -22,-2.2 -2,-0.4 2,-0.3 -0.435 27.9-151.7 -75.9 156.9 39.2 -6.3 -2.7 93 94 A V E -de 70 117A 1 23,-2.8 25,-3.1 -24,-0.2 2,-0.4 -0.960 12.2-167.6-132.8 141.7 39.8 -9.5 -0.8 94 95 A V E +de 71 118A 0 -24,-2.4 -22,-2.5 -2,-0.3 2,-0.3 -0.998 14.9 169.9-127.7 130.1 42.0 -12.6 -1.3 95 96 A T E -d 72 0A 0 23,-2.9 26,-1.0 -2,-0.4 -22,-0.1 -0.915 35.3-146.9-128.5 164.2 41.7 -15.9 0.6 96 97 A S + 0 0 29 -24,-0.5 26,-0.4 -2,-0.3 2,-0.2 0.202 69.6 106.9-102.1 10.4 43.1 -19.4 0.4 97 98 A S S S- 0 0 25 24,-0.1 23,-1.6 1,-0.1 -2,-0.1 -0.586 79.1-100.4 -99.0 151.0 39.9 -20.9 1.8 98 99 A Y - 0 0 88 -2,-0.2 2,-0.2 21,-0.1 -1,-0.1 -0.423 54.8 -96.1 -56.8 135.2 37.0 -23.0 0.2 99 100 A I - 0 0 23 -2,-0.1 -1,-0.1 1,-0.1 318,-0.0 -0.448 47.5-146.2 -58.7 124.4 34.0 -20.6 -0.4 100 101 A S > - 0 0 12 -2,-0.2 4,-2.3 -24,-0.1 3,-0.2 -0.502 23.1-111.1 -94.1 159.6 31.7 -21.0 2.6 101 102 A P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.901 120.0 58.5 -56.4 -35.7 27.9 -20.8 2.7 102 103 A A H > S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.907 107.4 46.2 -58.3 -41.6 28.3 -17.5 4.7 103 104 A L H > S+ 0 0 2 -3,-0.2 4,-0.6 1,-0.2 3,-0.2 0.881 108.4 54.9 -68.7 -41.2 30.3 -16.1 1.7 104 105 A R H >< S+ 0 0 127 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.878 103.8 56.3 -56.5 -38.2 27.7 -17.3 -0.8 105 106 A E H 3< S+ 0 0 150 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.856 109.5 46.1 -61.0 -33.8 25.0 -15.5 1.2 106 107 A L H >X S+ 0 0 13 -4,-1.1 4,-2.0 -3,-0.2 3,-0.8 0.536 85.4 101.1 -82.7 -7.4 27.0 -12.3 0.7 107 108 A E H S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.886 112.8 47.9 -59.8 -32.6 25.0 -10.5 -4.4 109 110 A E H <> S+ 0 0 105 -3,-0.8 4,-2.4 -4,-0.2 -2,-0.2 0.827 106.8 56.6 -72.0 -31.9 26.3 -7.7 -2.2 110 111 A I H X>S+ 0 0 0 -4,-2.0 5,-1.4 2,-0.2 4,-0.7 0.948 111.2 44.2 -60.9 -47.4 29.9 -8.4 -3.3 111 112 A V H ><5S+ 0 0 71 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.948 114.0 48.3 -62.7 -50.9 28.8 -8.0 -6.9 112 113 A K H 3<5S+ 0 0 191 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.866 108.4 56.3 -56.9 -36.2 26.8 -4.8 -6.2 113 114 A A H 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.678 106.7-129.6 -72.0 -16.3 29.7 -3.4 -4.2 114 115 A G T <<5 + 0 0 46 -3,-1.2 2,-0.2 -4,-0.7 -3,-0.2 0.705 60.4 135.5 75.2 18.4 32.0 -3.8 -7.2 115 116 A I < - 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0 0 14 -4,-2.0 2,-0.6 -3,-0.1 -47,-0.1 -0.707 59.6-147.9-101.3 143.2 44.4 -55.9 18.4 303 304 A T - 0 0 106 -2,-0.3 2,-0.3 -49,-0.1 -45,-0.1 -0.946 25.5-157.0-101.7 111.8 44.4 -57.6 15.0 304 305 A W - 0 0 51 -2,-0.6 3,-0.1 1,-0.1 -53,-0.0 -0.701 19.5-142.9 -91.5 142.6 47.9 -57.5 13.7 305 306 A K S S- 0 0 145 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.893 79.8 -36.4 -64.4 -41.9 48.8 -57.7 9.9 306 307 A D > - 0 0 78 1,-0.0 4,-2.6 -3,-0.0 -1,-0.2 -0.951 66.9 -85.5-169.9 176.9 51.9 -59.8 10.8 307 308 A D H > S+ 0 0 136 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.828 123.6 55.8 -67.6 -33.2 54.6 -60.2 13.5 308 309 A E H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 111.5 43.4 -64.6 -43.4 56.8 -57.5 11.8 309 310 A D H > S+ 0 0 18 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.910 113.0 51.7 -67.6 -47.0 54.0 -55.0 12.0 310 311 A R H X S+ 0 0 73 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.943 112.2 46.8 -51.9 -50.6 53.1 -56.0 15.6 311 312 A E H X S+ 0 0 143 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.905 114.3 48.2 -59.6 -42.2 56.7 -55.5 16.5 312 313 A R H X S+ 0 0 81 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 114.2 44.3 -64.3 -48.7 56.9 -52.2 14.7 313 314 A I H X S+ 0 0 3 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.924 114.6 47.9 -66.3 -48.5 53.7 -50.8 16.2 314 315 A L H X S+ 0 0 12 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.897 110.7 52.4 -60.4 -38.3 54.5 -51.9 19.8 315 316 A S H X S+ 0 0 75 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.915 108.4 51.7 -62.0 -40.0 58.0 -50.5 19.4 316 317 A G H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.890 107.1 51.7 -63.5 -40.3 56.3 -47.2 18.4 317 318 A F H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 6,-0.4 0.917 111.4 48.7 -58.1 -45.9 54.1 -47.3 21.5 318 319 A A H ><5S+ 0 0 35 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.902 109.1 51.9 -58.6 -44.6 57.2 -47.8 23.5 319 320 A W H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.900 106.2 55.0 -59.5 -39.3 58.9 -44.9 21.7 320 321 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.583 116.4-118.2 -70.8 -10.5 55.9 -42.7 22.5 321 322 A G T X 5S+ 0 0 8 -3,-1.4 3,-1.8 -4,-0.4 5,-0.3 0.591 71.1 137.9 80.2 14.8 56.4 -43.6 26.2 322 323 A L T 3 S-S 266 0E 14 -63,-0.3 4,-1.5 -67,-0.3 -2,-0.2 -0.970 84.2-115.4-150.8 161.1 39.5 -38.3 27.7 334 335 A A H > S+ 0 0 1 -69,-0.5 4,-2.9 -71,-0.5 -70,-0.2 0.943 108.4 50.3 -62.9 -52.6 41.6 -40.9 25.8 335 336 A L H > S+ 0 0 1 -72,-2.2 4,-3.0 1,-0.2 5,-0.2 0.923 112.7 42.0 -51.9 -57.7 41.8 -39.2 22.5 336 337 A D H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.806 113.8 53.7 -68.2 -31.0 43.0 -35.7 23.6 337 338 A T H X S+ 0 0 1 -4,-1.5 4,-1.5 2,-0.2 -8,-0.3 0.928 111.4 45.9 -66.0 -44.8 45.4 -37.3 26.0 338 339 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -77,-0.3 3,-0.5 0.949 111.3 52.4 -57.3 -50.4 46.9 -39.3 23.2 339 340 A C H X S+ 0 0 3 -4,-3.0 4,-3.0 1,-0.3 5,-0.2 0.874 105.1 55.9 -56.7 -37.6 47.0 -36.2 20.9 340 341 A A H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.887 109.7 45.2 -62.5 -39.4 48.8 -34.2 23.5 341 342 A R H X S+ 0 0 34 -4,-1.5 4,-1.9 -3,-0.5 -2,-0.2 0.893 113.0 50.1 -72.0 -41.5 51.6 -36.9 23.7 342 343 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.2 0.964 113.4 46.7 -58.3 -53.8 51.8 -37.1 19.8 343 344 A E H < S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.882 110.7 52.3 -53.9 -43.4 52.0 -33.4 19.6 344 345 A E H < S+ 0 0 107 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.890 120.5 31.9 -63.0 -36.3 54.7 -33.2 22.3 345 346 A L H < S+ 0 0 52 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.595 114.6 55.1-100.2 -14.3 56.9 -35.8 20.6 346 347 A M S < S+ 0 0 1 -4,-1.9 -176,-2.6 -5,-0.2 2,-0.2 -0.198 70.3 122.7-124.9 43.3 56.4 -35.3 16.9 347 348 A Q B -r 170 0D 76 -3,-0.3 -176,-0.1 -178,-0.2 2,-0.1 -0.608 68.9 -89.6 -92.1 161.7 57.1 -31.7 16.0 348 349 A Y - 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