==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JAN-09 3FPC . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER BROCKII, ENTAMOEBA . AUTHOR F.FELIX,E.GOIHBERG,L.SHIMON,Y.BURSTEIN . 1408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 13.4 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 109 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 3.1 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 12 0 0 0 12 3 5 6 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 12 0 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 . 14 12 4 4 2 4 0 4 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 0 4 0 0 4 0 0 0 0 2 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 26 0, 0.0 16,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.9 12.8 -20.3 24.7 2 2 A K E +A 16 0A 92 14,-0.2 120,-1.9 12,-0.0 2,-0.3 -0.731 360.0 171.9 -96.2 147.2 13.0 -19.0 21.1 3 3 A G E -AB 15 121A 0 12,-2.1 12,-2.6 -2,-0.3 2,-0.6 -0.988 35.2-118.9-149.1 152.6 15.9 -17.0 19.6 4 4 A F E +A 14 0A 0 116,-2.6 53,-2.9 -2,-0.3 2,-0.3 -0.880 50.3 179.2 -97.3 119.4 16.9 -15.7 16.2 5 5 A A E -AC 13 56A 0 8,-2.7 8,-2.0 -2,-0.6 2,-0.8 -0.787 43.9-113.3-128.5 155.7 20.3 -17.3 15.4 6 6 A M E -AC 12 55A 0 49,-2.9 49,-2.1 -2,-0.3 48,-0.4 -0.837 29.9-172.5 -76.9 112.9 23.2 -17.8 13.0 7 7 A L E - 0 0 51 4,-2.4 47,-0.8 -2,-0.8 2,-0.3 0.903 65.8 -46.0 -76.1 -40.5 22.7 -21.4 12.2 8 8 A S E > S-A 11 0A 32 3,-1.2 3,-2.3 45,-0.2 -1,-0.4 -0.916 93.8 -37.5-172.1 179.4 26.1 -21.4 10.4 9 9 A I T 3 S+ 0 0 67 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.301 131.6 7.1 -56.1 125.2 27.9 -19.1 7.8 10 10 A G T 3 S+ 0 0 39 34,-2.6 2,-0.4 1,-0.1 -1,-0.3 0.399 113.2 96.1 85.9 -0.5 25.2 -17.8 5.4 11 11 A K E < +A 8 0A 130 -3,-2.3 -4,-2.4 33,-0.2 -3,-1.2 -0.984 42.9 172.0-132.7 125.2 22.2 -19.3 7.3 12 12 A V E +A 6 0A 37 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.2 -0.892 14.2 133.3-123.5 155.8 19.9 -17.7 9.8 13 13 A G E -A 5 0A 14 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.3 -0.944 53.0 -70.8 176.9 169.1 16.7 -18.8 11.5 14 14 A W E +A 4 0A 88 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.608 49.7 177.8 -74.4 133.2 14.6 -19.3 14.6 15 15 A I E -A 3 0A 29 -12,-2.6 -12,-2.1 -2,-0.3 2,-0.4 -0.863 28.4-119.5-131.1 163.9 15.8 -21.9 17.1 16 16 A E E +A 2 0A 139 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.919 37.2 169.6-104.8 131.6 14.8 -23.3 20.5 17 17 A K - 0 0 59 -16,-3.1 2,-0.1 -2,-0.4 -2,-0.0 -0.950 40.6 -90.9-136.0 156.5 17.3 -23.0 23.3 18 18 A E - 0 0 181 -2,-0.3 3,-0.0 1,-0.1 0, 0.0 -0.447 47.5-109.4 -59.3 137.5 17.3 -23.5 27.1 19 19 A K - 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 105,-0.1 -0.568 43.6-116.5 -66.0 126.5 16.4 -20.3 29.0 20 20 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 104,-0.1 -0.295 22.2-144.5 -69.8 157.6 19.7 -19.3 30.6 21 21 A A - 0 0 76 -3,-0.0 2,-0.3 104,-0.0 6,-0.1 -0.905 19.3-117.6-116.8 146.4 20.2 -19.2 34.4 22 22 A P - 0 0 24 0, 0.0 6,-0.1 0, 0.0 46,-0.1 -0.646 13.7-137.2 -88.5 142.3 22.4 -16.6 36.2 23 23 A G > - 0 0 26 -2,-0.3 3,-1.8 46,-0.1 46,-0.3 -0.255 52.1 -78.4 -71.1 177.3 25.4 -17.3 38.3 24 24 A P T 3 S+ 0 0 68 0, 0.0 47,-2.6 0, 0.0 48,-0.6 0.746 133.0 38.0 -56.2 -26.0 25.7 -15.3 41.6 25 25 A F T 3 S+ 0 0 49 46,-0.2 104,-2.1 45,-0.1 105,-0.5 0.372 103.9 90.3-106.8 7.2 26.9 -12.1 39.8 26 26 A D < - 0 0 30 -3,-1.8 43,-2.4 102,-0.3 2,-0.3 -0.434 56.7-145.8-105.9 169.9 24.7 -12.3 36.7 27 27 A A E -DE 68 126B 0 99,-2.4 99,-3.0 41,-0.2 2,-0.5 -0.977 9.5-141.7-130.9 145.3 21.3 -11.2 35.5 28 28 A I E -DE 67 125B 0 39,-2.7 38,-2.8 -2,-0.3 39,-1.5 -0.933 29.6-171.0 -99.5 133.3 18.7 -12.6 33.2 29 29 A V E -DE 65 124B 0 95,-2.7 95,-2.3 -2,-0.5 36,-0.2 -0.962 19.2-147.2-128.7 140.6 17.1 -9.9 31.1 30 30 A R E -D 64 0B 84 34,-2.6 34,-2.5 -2,-0.4 93,-0.2 -0.919 32.8-113.4-105.4 134.4 14.2 -9.8 28.7 31 31 A P E +D 63 0B 7 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.422 31.5 176.9 -68.7 136.6 14.5 -7.4 25.8 32 32 A L E S+ 0 0 0 30,-3.2 319,-2.6 1,-0.5 320,-1.5 0.660 78.3 4.5-100.3 -32.8 12.1 -4.4 25.6 33 33 A A E S+DF 62 350B 0 29,-1.7 29,-2.4 317,-0.2 -1,-0.5 -0.954 71.4 179.3-152.9 139.9 13.7 -3.0 22.4 34 34 A V E -DF 61 349B 1 315,-2.2 315,-3.1 -2,-0.3 27,-0.2 -0.933 10.5-157.7-137.1 161.9 16.4 -4.3 20.2 35 35 A A E -D 60 0B 0 25,-1.8 25,-0.5 -2,-0.3 24,-0.5 -0.991 17.1-126.6-139.0 149.4 18.2 -3.3 17.0 36 36 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 298,-0.0 -0.581 25.5-146.6 -88.1 159.5 20.2 -5.3 14.4 37 37 A C >> - 0 0 5 -2,-0.2 3,-1.3 1,-0.1 4,-0.9 -0.962 24.7-126.5-133.5 142.9 23.7 -4.3 13.3 38 38 A T H 3> S+ 0 0 49 -2,-0.3 4,-2.0 1,-0.3 3,-0.3 0.778 108.5 69.7 -49.7 -34.2 25.8 -4.4 10.2 39 39 A S H 3> S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.883 93.9 53.2 -57.9 -40.2 28.3 -6.4 12.3 40 40 A D H <> S+ 0 0 0 -3,-1.3 4,-2.8 2,-0.2 5,-0.3 0.838 104.6 55.6 -66.1 -27.9 26.0 -9.4 12.4 41 41 A I H X>S+ 0 0 23 -4,-0.9 4,-2.4 -3,-0.3 5,-0.8 0.941 109.1 47.2 -68.3 -42.7 25.8 -9.3 8.6 42 42 A H H X5S+ 0 0 29 -4,-2.0 6,-1.9 3,-0.2 4,-1.2 0.928 115.6 46.0 -58.5 -47.4 29.6 -9.5 8.4 43 43 A T H <5S+ 0 0 0 -4,-2.3 4,-0.5 4,-0.2 6,-0.2 0.947 121.6 34.8 -63.6 -49.8 29.7 -12.3 10.9 44 44 A V H <5S+ 0 0 0 -4,-2.8 -34,-2.6 -5,-0.1 -33,-0.2 0.945 129.9 26.7 -73.7 -51.2 26.9 -14.4 9.3 45 45 A F H <5S+ 0 0 64 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.755 129.9 34.5 -93.9 -27.2 27.3 -13.8 5.6 46 46 A E S < + 0 0 18 -4,-0.5 3,-1.6 -5,-0.5 -4,-0.2 0.852 44.1 165.3 58.6 36.4 32.2 -15.4 8.0 48 48 A A T 3 S+ 0 0 3 -6,-1.9 -5,-0.2 1,-0.3 -1,-0.1 0.669 73.6 26.9 -62.7 -25.4 34.3 -12.4 9.0 49 49 A I T 3 S- 0 0 33 1,-0.4 -1,-0.3 -6,-0.2 -6,-0.1 0.051 122.4 -90.9-127.0 21.2 35.1 -13.9 12.5 50 50 A G < - 0 0 31 -3,-1.6 -1,-0.4 -7,-0.1 -3,-0.1 -0.141 60.0 -35.8 101.0 173.5 34.8 -17.6 11.7 51 51 A E - 0 0 113 -3,-0.1 2,-0.3 -4,-0.1 -43,-0.1 -0.270 51.7-173.3 -65.3 150.4 32.1 -20.3 11.8 52 52 A R - 0 0 51 -8,-0.1 2,-0.4 -9,-0.1 -43,-0.2 -0.962 13.6-145.3-139.7 159.3 29.4 -20.4 14.4 53 53 A H S S- 0 0 150 -2,-0.3 -46,-0.2 -45,-0.1 -45,-0.2 -0.965 74.3 -24.8-131.9 113.1 26.7 -23.0 15.3 54 54 A N S S+ 0 0 47 -47,-0.8 2,-0.6 -48,-0.4 -47,-0.2 0.890 81.8 166.7 54.9 48.2 23.2 -22.0 16.5 55 55 A M E -C 6 0A 11 -49,-2.1 -49,-2.9 62,-0.1 -1,-0.2 -0.851 37.2-126.1 -97.3 118.1 24.4 -18.7 18.0 56 56 A I E -C 5 0A 1 -2,-0.6 62,-2.0 -51,-0.3 57,-0.4 -0.374 32.6-138.3 -62.5 133.0 21.6 -16.3 18.9 57 57 A L + 0 0 0 -53,-2.9 63,-2.5 63,-0.2 -53,-0.2 -0.301 52.0 68.7 -90.0 175.1 22.2 -12.9 17.2 58 58 A G - 0 0 1 60,-0.2 61,-1.6 61,-0.2 62,-0.2 0.384 33.0-169.9 92.6 139.7 21.9 -9.3 18.3 59 59 A H + 0 0 5 -24,-0.5 2,-0.5 59,-0.2 53,-0.1 0.161 63.0 87.7-146.6 20.4 23.9 -7.2 20.8 60 60 A E E +D 35 0B 1 -25,-0.5 -25,-1.8 25,-0.1 2,-0.3 -0.927 55.0 141.9-127.4 104.9 21.8 -4.0 21.1 61 61 A A E -DG 34 83B 0 22,-0.7 22,-1.9 -2,-0.5 2,-0.4 -0.999 42.2-155.9-144.8 144.8 19.1 -4.1 23.7 62 62 A V E +DG 33 82B 0 -29,-2.4 -30,-3.2 -2,-0.3 -29,-1.7 -0.945 42.9 177.9-104.0 140.6 17.2 -2.2 26.3 63 63 A G E -DG 31 81B 0 18,-2.9 18,-2.8 -2,-0.4 2,-0.5 -0.833 37.7-119.2-140.4 171.8 15.8 -4.6 28.8 64 64 A E E -DG 30 80B 53 -34,-2.5 -34,-2.6 -2,-0.3 2,-0.2 -0.985 35.2-126.0-114.2 123.3 13.9 -5.5 31.9 65 65 A V E +D 29 0B 0 14,-3.0 13,-3.3 -2,-0.5 -36,-0.2 -0.504 33.0 171.2 -63.1 128.6 15.8 -7.4 34.6 66 66 A V E + 0 0 46 -38,-2.8 2,-0.3 1,-0.4 -37,-0.2 0.615 63.0 13.7-114.4 -19.1 13.9 -10.6 35.4 67 67 A E E -D 28 0B 86 -39,-1.5 -39,-2.7 9,-0.1 -1,-0.4 -0.970 59.8-168.8-156.1 143.1 16.3 -12.5 37.6 68 68 A V E -D 27 0B 40 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.1 -0.960 25.4-113.8-131.0 146.8 19.5 -11.8 39.5 69 69 A G > - 0 0 10 -43,-2.4 3,-1.7 -2,-0.3 -46,-0.1 -0.305 40.5 -96.2 -70.3 170.0 22.1 -13.9 41.2 70 70 A S T 3 S+ 0 0 104 1,-0.3 -45,-0.1 -2,-0.1 -1,-0.1 0.605 120.2 50.6 -66.3 -17.8 22.6 -13.8 45.0 71 71 A E T 3 S+ 0 0 99 -47,-2.6 2,-0.5 -48,-0.1 -1,-0.3 0.390 78.7 114.5-104.4 5.0 25.6 -11.4 44.8 72 72 A V < + 0 0 20 -3,-1.7 -46,-0.1 -48,-0.6 -4,-0.1 -0.624 34.9 171.0 -78.6 125.0 23.9 -8.8 42.6 73 73 A K + 0 0 172 -2,-0.5 -1,-0.1 -48,-0.1 -48,-0.0 0.726 66.0 41.8-105.1 -30.7 23.5 -5.6 44.6 74 74 A D S S+ 0 0 76 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.502 105.9 56.2-107.7 -5.7 22.5 -2.7 42.3 75 75 A F + 0 0 7 4,-0.0 55,-0.1 60,-0.0 54,-0.0 -0.956 56.0 176.2-129.9 147.3 19.9 -4.4 40.0 76 76 A K > - 0 0 125 -2,-0.3 3,-2.2 -11,-0.1 -11,-0.3 -0.953 45.5 -69.0-144.1 159.9 16.6 -6.2 40.8 77 77 A P T 3 S+ 0 0 73 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.250 119.6 31.6 -52.6 134.6 13.8 -7.8 38.9 78 78 A G T 3 S+ 0 0 41 -13,-3.3 2,-0.2 1,-0.3 -12,-0.1 0.095 84.5 132.6 101.3 -19.6 11.7 -5.1 37.2 79 79 A D < - 0 0 20 -3,-2.2 -14,-3.0 -14,-0.1 2,-0.5 -0.481 53.5-135.5 -71.1 133.4 14.6 -2.7 36.6 80 80 A R E -G 64 0B 123 -16,-0.2 56,-2.4 -2,-0.2 2,-0.3 -0.763 34.3-177.3 -87.4 128.9 14.8 -1.2 33.1 81 81 A V E -GH 63 135B 0 -18,-2.8 -18,-2.9 -2,-0.5 2,-0.5 -0.938 34.2-131.6-134.9 148.6 18.4 -1.3 31.9 82 82 A V E -GH 62 134B 0 52,-2.6 52,-1.7 -2,-0.3 -20,-0.2 -0.897 29.1-152.7 -93.2 125.3 20.6 -0.3 29.0 83 83 A V E -G 61 0B 1 -22,-1.9 -22,-0.7 -2,-0.5 50,-0.1 -0.909 10.3-135.3-104.2 116.6 22.8 -3.3 28.2 84 84 A P - 0 0 0 0, 0.0 66,-0.1 0, 0.0 213,-0.1 -0.392 11.9-130.7 -68.5 148.7 26.1 -2.5 26.6 85 85 A A S S+ 0 0 1 64,-2.0 2,-0.6 211,-0.2 26,-0.5 0.824 100.9 60.9 -62.3 -33.0 27.1 -4.5 23.6 86 86 A I B +J 110 0C 3 63,-0.4 212,-2.2 210,-0.2 24,-0.3 -0.913 62.4 169.4-100.4 118.6 30.5 -5.0 25.3 87 87 A T - 0 0 0 22,-2.0 40,-0.2 -2,-0.6 45,-0.1 -0.774 21.2-164.0-129.3 79.7 30.1 -6.8 28.7 88 88 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 21,-0.1 -0.154 29.9-113.0 -67.1 161.6 33.6 -7.8 29.8 89 89 A D - 0 0 76 14,-0.3 6,-0.2 11,-0.2 3,-0.2 -0.853 33.9-159.4 -81.7 116.0 34.8 -10.1 32.4 90 90 A W S S+ 0 0 8 -2,-0.7 2,-0.9 1,-0.2 -1,-0.1 0.655 73.6 73.5 -79.1 -14.8 36.2 -7.5 34.7 91 91 A R S S+ 0 0 73 4,-0.1 2,-0.3 12,-0.1 -1,-0.2 -0.550 76.5 103.7-103.7 68.4 38.6 -9.8 36.6 92 92 A T S > S- 0 0 24 -2,-0.9 4,-1.6 -3,-0.2 3,-0.3 -0.928 80.0-109.2-139.6 164.8 41.3 -10.2 33.9 93 93 A S H > S+ 0 0 60 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.849 115.5 60.5 -62.4 -36.4 44.9 -9.1 33.1 94 94 A E H 4>S+ 0 0 31 1,-0.2 5,-2.7 2,-0.2 3,-0.3 0.887 103.3 50.7 -64.7 -35.0 43.6 -7.0 30.1 95 95 A V H >45S+ 0 0 15 -3,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.929 107.3 52.8 -64.9 -42.2 41.4 -5.0 32.5 96 96 A Q H 3<5S+ 0 0 34 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.728 109.9 50.8 -63.7 -22.6 44.5 -4.3 34.7 97 97 A R T 3<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.276 124.7-102.4 -93.3 -1.5 46.3 -3.1 31.5 98 98 A G T < 5S+ 0 0 59 -3,-1.6 2,-0.2 -5,-0.1 -3,-0.2 0.647 91.4 105.4 91.2 18.2 43.5 -0.7 30.6 99 99 A Y > < + 0 0 46 -5,-2.7 3,-1.9 -6,-0.1 -4,-0.1 -0.573 27.6 162.8-132.3 71.0 41.7 -2.7 27.8 100 100 A H G > S+ 0 0 29 1,-0.3 3,-1.7 -2,-0.2 -11,-0.2 0.782 72.6 71.8 -60.9 -23.7 38.5 -4.2 29.0 101 101 A Q G 3 S+ 0 0 10 1,-0.3 8,-2.5 193,-0.1 9,-0.5 0.761 103.1 42.1 -59.7 -25.5 37.4 -4.7 25.4 102 102 A H G X S+ 0 0 0 -3,-1.9 3,-2.5 6,-0.2 2,-0.5 -0.011 78.8 150.9-114.9 26.3 40.0 -7.4 25.1 103 103 A S T < S+ 0 0 0 -3,-1.7 -14,-0.3 1,-0.3 -3,-0.1 -0.447 79.5 5.2 -66.4 113.9 39.3 -9.0 28.5 104 104 A G T 3 S- 0 0 58 -2,-0.5 -1,-0.3 -16,-0.1 2,-0.2 0.510 139.8 -25.9 87.1 6.2 40.1 -12.7 28.0 105 105 A G S X S- 0 0 23 -3,-2.5 3,-2.4 859,-0.0 4,-0.3 -0.622 99.5 -34.7 137.0 163.7 41.4 -12.2 24.5 106 106 A M T 3 S- 0 0 65 1,-0.3 -4,-0.1 -2,-0.2 886,-0.1 -0.305 128.3 -6.4 -57.0 125.0 41.2 -10.0 21.4 107 107 A L T > S+ 0 0 15 884,-0.2 3,-1.9 1,-0.1 -1,-0.3 0.377 95.8 128.1 72.3 2.9 37.6 -8.8 21.1 108 108 A A T < + 0 0 18 -3,-2.4 -6,-0.2 1,-0.3 -2,-0.1 0.612 57.6 69.3 -75.3 -11.1 36.5 -11.0 24.0 109 109 A G T 3 S+ 0 0 0 -8,-2.5 -22,-2.0 -4,-0.3 2,-1.0 0.737 87.6 75.8 -68.6 -23.7 34.8 -8.2 25.9 110 110 A W B < +J 86 0C 7 -3,-1.9 5,-0.3 -9,-0.5 -24,-0.2 -0.819 59.8 152.8 -87.3 99.6 32.2 -8.3 23.0 111 111 A K >>> + 0 0 24 -2,-1.0 3,-2.7 -26,-0.5 4,-1.7 0.901 37.4 87.1 -96.5 -58.8 30.3 -11.4 24.0 112 112 A F B 345S-k 116 0D 0 -27,-0.4 5,-0.2 1,-0.3 6,-0.2 -0.235 112.9 -3.6 -52.5 120.8 26.8 -11.1 22.5 113 113 A S T 345S+ 0 0 0 3,-2.8 -1,-0.3 -57,-0.4 4,-0.1 0.570 132.2 64.9 68.2 12.2 26.7 -12.4 18.9 114 114 A N T <45S- 0 0 11 -3,-2.7 -2,-0.2 2,-0.4 -3,-0.2 0.575 129.1 -13.5-113.2 -66.9 30.5 -13.0 19.0 115 115 A V T <5S+ 0 0 93 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.191 129.7 48.7-125.2 15.6 31.2 -15.7 21.6 116 116 A K B > S- 0 0 16 -2,-0.3 4,-1.7 3,-0.1 3,-0.9 0.970 71.1-166.6 53.5 69.8 28.4 -9.4 36.1 129 129 A A H 3> S+ 0 0 0 -104,-2.1 4,-1.3 -3,-0.4 3,-0.3 0.871 82.3 54.6 -50.7 -47.2 25.2 -7.3 36.3 130 130 A D H 34 S+ 0 0 16 -105,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.801 118.1 35.3 -66.4 -27.3 26.6 -4.7 38.7 131 131 A M H <4 S+ 0 0 6 -3,-0.9 168,-2.9 1,-0.1 169,-0.4 0.621 125.5 38.7 -92.5 -19.2 29.6 -4.0 36.4 132 132 A N H < S+ 0 0 0 -4,-1.7 2,-0.3 -3,-0.3 166,-0.2 0.185 99.5 70.2-126.9 8.2 27.8 -4.3 33.1 133 133 A L < - 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0 0 80 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.204 61.8-138.9 -46.5 128.4 38.1 11.7 -6.2 223 223 A I H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 100.9 53.5 -68.8 -31.2 37.2 12.3 -2.6 224 224 A V H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.949 110.6 47.4 -65.6 -46.0 40.9 12.7 -1.5 225 225 A E H > S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 110.4 52.4 -62.6 -38.3 41.4 15.3 -4.2 226 226 A Q H X S+ 0 0 35 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.921 111.8 45.9 -61.6 -43.0 38.2 17.2 -3.2 227 227 A I H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 8,-0.3 0.897 112.4 50.3 -71.7 -39.8 39.3 17.3 0.4 228 228 A L H <>S+ 0 0 40 -4,-2.8 5,-3.4 2,-0.2 3,-0.5 0.929 112.2 47.2 -60.0 -46.1 42.8 18.5 -0.6 229 229 A K H ><5S+ 0 0 178 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.929 111.4 52.0 -60.2 -42.1 41.3 21.2 -2.8 230 230 A A H 3<5S+ 0 0 32 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.721 113.0 44.6 -67.8 -22.5 39.0 22.2 0.1 231 231 A T T ><5S- 0 0 13 -4,-1.2 3,-2.2 -3,-0.5 -1,-0.3 0.022 117.0-109.8-108.8 19.1 41.9 22.5 2.5 232 232 A D T < 5S- 0 0 145 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.833 76.9 -54.0 51.2 42.5 44.2 24.4 0.1 233 233 A G T 3 - 0 0 78 -2,-0.3 3,-1.8 23,-0.1 4,-0.4 -0.704 56.7 -64.0-147.2-169.6 36.5 -1.5 3.4 246 246 A V T 3 S+ 0 0 8 24,-0.4 29,-0.7 1,-0.3 3,-0.3 0.666 127.9 59.3 -63.9 -15.2 40.1 -2.6 3.8 247 247 A H T 3> S+ 0 0 104 1,-0.2 4,-0.9 27,-0.1 3,-0.4 0.501 82.2 82.7 -90.4 -2.3 41.0 0.0 1.1 248 248 A T H <> S+ 0 0 13 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.802 79.3 65.8 -71.5 -29.9 39.6 3.0 3.0 249 249 A F H > S+ 0 0 1 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.893 96.7 56.0 -60.9 -37.3 42.8 3.3 5.1 250 250 A A H > S+ 0 0 5 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.908 107.2 49.6 -61.5 -40.2 44.7 4.3 2.0 251 251 A Q H X S+ 0 0 50 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.933 109.5 51.1 -63.8 -44.5 42.3 7.1 1.4 252 252 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.4 0.926 109.7 50.0 -58.6 -45.4 42.6 8.3 5.0 253 253 A V H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.894 109.8 51.1 -60.4 -40.7 46.4 8.4 4.7 254 254 A K H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.739 114.2 42.4 -71.5 -24.4 46.3 10.3 1.5 255 255 A M H < S+ 0 0 1 -4,-1.4 -19,-2.2 -3,-0.4 2,-0.2 0.538 99.3 87.9 -96.6 -8.0 44.0 13.1 2.8 256 256 A I E < S-o 236 0E 7 -4,-1.0 -19,-0.2 -3,-0.4 4,-0.1 -0.622 76.0-116.4-102.1 145.3 45.6 13.5 6.3 257 257 A K E - 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