==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JAN-09 3FTN . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER BROCKII, CLOSTRIDIU . AUTHOR F.FROLOW,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) . 45965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1029 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 12.8 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 100 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 3.2 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 9 3 0 0 5 8 4 9 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 12 8 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 . 11 12 4 4 2 4 2 2 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 37 0, 0.0 16,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.8 44.3 34.0 -1.5 2 2 A K E +A 16 0A 88 14,-0.2 120,-1.9 12,-0.1 2,-0.3 -0.653 360.0 171.5 -89.3 140.3 44.3 30.2 -1.7 3 3 A G E -AB 15 121A 0 12,-2.3 12,-2.8 -2,-0.3 2,-0.6 -0.997 31.9-133.4-144.3 147.2 41.3 28.1 -1.0 4 4 A F E +A 14 0A 0 116,-2.9 53,-2.2 -2,-0.3 2,-0.3 -0.910 47.7 165.7 -98.5 125.0 40.2 24.5 -1.3 5 5 A A E -AC 13 56A 0 8,-2.9 8,-2.3 -2,-0.6 2,-0.7 -0.913 47.7-101.9-144.4 157.7 36.8 24.4 -2.9 6 6 A M E -AC 12 55A 0 49,-2.9 49,-2.3 -2,-0.3 48,-0.3 -0.754 29.1-172.9 -78.1 112.6 34.0 22.6 -4.6 7 7 A L E - 0 0 54 4,-1.4 47,-0.9 -2,-0.7 2,-0.3 0.971 67.3 -37.0 -71.0 -55.9 34.4 23.5 -8.3 8 8 A S E > S-A 11 0A 24 3,-0.7 3,-3.0 45,-0.2 -1,-0.4 -0.945 95.3 -42.7-156.3 172.1 31.1 21.8 -9.2 9 9 A I T 3 S+ 0 0 68 -2,-0.3 36,-0.2 1,-0.3 35,-0.1 -0.107 132.1 8.5 -41.0 124.5 29.1 18.7 -8.2 10 10 A G T 3 S+ 0 0 36 34,-3.2 2,-0.4 1,-0.1 -1,-0.3 0.511 113.5 100.1 78.7 6.3 31.6 15.9 -7.8 11 11 A K E < +A 8 0A 128 -3,-3.0 -4,-1.4 33,-0.2 -3,-0.7 -0.987 41.0 170.8-132.5 131.3 34.6 18.2 -8.2 12 12 A V E +A 6 0A 38 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.2 -0.943 13.0 139.4-130.8 153.8 37.0 19.7 -5.7 13 13 A G E -A 5 0A 16 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.2 -0.955 51.5 -79.4-177.3 165.3 40.3 21.6 -6.1 14 14 A W E +A 4 0A 64 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.559 49.7 174.7 -73.7 142.9 42.4 24.5 -5.0 15 15 A I E -A 3 0A 27 -12,-2.8 -12,-2.3 -2,-0.2 2,-0.4 -0.967 29.8-117.5-145.9 160.3 41.4 27.9 -6.4 16 16 A E E +A 2 0A 145 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.859 36.3 174.2-104.1 136.0 42.5 31.5 -5.9 17 17 A K - 0 0 51 -16,-2.7 -2,-0.0 -2,-0.4 2,-0.0 -0.977 38.5 -90.8-139.2 152.0 40.0 34.1 -4.5 18 18 A E - 0 0 175 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.332 48.2-111.6 -53.1 137.1 39.9 37.7 -3.4 19 19 A K - 0 0 95 1,-0.1 -1,-0.1 103,-0.0 105,-0.1 -0.635 40.8-117.4 -73.3 128.9 40.5 38.0 0.3 20 20 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 104,-0.1 -0.298 21.2-142.0 -74.5 157.2 37.3 39.1 1.9 21 21 A A - 0 0 75 104,-0.0 2,-0.2 7,-0.0 6,-0.1 -0.887 20.0-113.8-115.5 149.7 36.9 42.4 3.7 22 22 A P - 0 0 32 0, 0.0 6,-0.1 0, 0.0 46,-0.1 -0.547 14.8-137.8 -84.2 142.5 34.8 43.0 6.9 23 23 A G > - 0 0 24 -2,-0.2 3,-1.7 4,-0.1 46,-0.1 -0.341 50.2 -83.0 -76.3 176.5 31.6 45.1 7.2 24 24 A P T 3 S+ 0 0 65 0, 0.0 47,-2.7 0, 0.0 48,-0.5 0.661 132.7 38.1 -61.1 -19.6 31.4 47.2 10.4 25 25 A F T 3 S+ 0 0 54 46,-0.2 104,-2.2 45,-0.1 105,-0.5 0.363 105.0 89.9-107.8 1.8 30.1 44.3 12.5 26 26 A D < - 0 0 30 -3,-1.7 43,-2.1 102,-0.3 2,-0.3 -0.490 57.4-148.6-103.8 164.8 32.3 41.6 10.9 27 27 A A E -DE 68 126B 0 99,-2.0 99,-2.7 41,-0.2 2,-0.5 -0.954 10.7-139.9-125.6 149.4 35.7 40.0 11.5 28 28 A I E -DE 67 125B 0 39,-3.0 38,-2.9 -2,-0.3 39,-1.5 -0.954 29.4-170.7-103.9 131.6 38.2 38.5 9.1 29 29 A V E -DE 65 124B 0 95,-2.8 95,-2.4 -2,-0.5 36,-0.2 -0.928 19.6-148.1-125.0 143.3 39.8 35.4 10.6 30 30 A R E -D 64 0B 101 34,-2.3 34,-2.5 -2,-0.4 93,-0.2 -0.953 32.6-114.5-109.8 135.5 42.7 33.2 9.6 31 31 A P E +D 63 0B 10 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.394 30.0 178.2 -69.5 138.4 42.4 29.5 10.5 32 32 A L E S+ 0 0 12 30,-3.8 319,-3.5 1,-0.5 320,-0.5 0.639 79.1 6.5-105.3 -28.3 44.8 27.9 13.1 33 33 A A E S+DF 62 350B 0 29,-1.9 29,-2.3 317,-0.2 -1,-0.5 -0.963 71.4 179.1-152.5 136.5 43.2 24.5 13.0 34 34 A V E -DF 61 349B 1 315,-2.1 315,-3.1 -2,-0.3 27,-0.2 -0.957 10.1-161.0-137.0 161.5 40.5 23.0 10.7 35 35 A A E -D 60 0B 0 25,-1.7 25,-0.5 -2,-0.3 24,-0.4 -0.969 19.5-124.3-135.5 150.9 38.6 19.8 10.2 36 36 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.639 23.4-143.1 -92.1 162.2 36.5 18.4 7.3 37 37 A C >> - 0 0 6 -2,-0.2 3,-0.9 1,-0.1 4,-0.8 -0.934 20.4-128.3-125.9 142.3 33.0 17.2 7.7 38 38 A T H >> S+ 0 0 53 -2,-0.4 4,-1.8 1,-0.2 3,-0.7 0.804 107.9 69.8 -52.0 -32.7 31.0 14.4 6.1 39 39 A S H 3> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.902 94.0 53.4 -56.9 -41.7 28.4 17.0 5.2 40 40 A D H <> S+ 0 0 0 -3,-0.9 4,-2.1 1,-0.2 -1,-0.3 0.809 104.7 56.7 -64.5 -25.8 30.8 18.5 2.7 41 41 A I H S+ 0 0 22 -4,-0.8 4,-2.2 -3,-0.7 5,-0.6 0.933 107.9 46.8 -67.5 -44.6 31.1 15.0 1.2 42 42 A H H X5S+ 0 0 42 -4,-1.8 6,-1.7 1,-0.2 4,-1.4 0.899 113.8 47.6 -60.9 -44.5 27.4 14.8 0.7 43 43 A T H X5S+ 0 0 2 -4,-2.3 4,-0.6 4,-0.2 -2,-0.2 0.934 117.4 41.0 -68.5 -42.2 27.2 18.3 -0.9 44 44 A V H <5S+ 0 0 0 -4,-2.1 -34,-3.2 -5,-0.2 -33,-0.2 0.979 129.2 22.7 -67.8 -57.1 30.1 17.8 -3.3 45 45 A F H <5S+ 0 0 60 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.676 132.5 36.6 -94.2 -21.1 29.5 14.2 -4.5 46 46 A E H << + 0 0 17 -4,-0.6 3,-1.8 -5,-0.2 -4,-0.2 0.853 42.6 167.4 49.3 37.5 24.8 17.3 -4.8 48 48 A A T 3 S+ 0 0 7 -6,-1.7 -5,-0.2 1,-0.3 -1,-0.1 0.739 72.9 25.9 -58.7 -31.8 22.7 17.0 -1.6 49 49 A I T 3 S- 0 0 38 1,-0.4 -1,-0.3 -6,-0.2 -2,-0.1 0.025 121.9 -94.6-121.8 25.0 21.9 20.7 -1.4 50 50 A G < - 0 0 31 -3,-1.8 -1,-0.4 -4,-0.1 -3,-0.1 -0.227 60.6 -27.2 96.6 178.7 22.3 21.6 -5.1 51 51 A E + 0 0 87 -3,-0.1 2,-0.3 -4,-0.1 -43,-0.1 -0.198 52.1 179.8 -67.4 156.8 24.9 23.0 -7.5 52 52 A R - 0 0 52 -8,-0.1 2,-0.5 -45,-0.1 -43,-0.2 -0.969 15.8-148.7-154.7 146.7 27.8 25.3 -6.5 53 53 A H S S- 0 0 138 -2,-0.3 -46,-0.2 1,-0.2 -45,-0.2 -0.969 75.7 -20.4-126.3 124.2 30.7 26.9 -8.3 54 54 A N S S+ 0 0 76 -47,-0.9 2,-0.8 -2,-0.5 -47,-0.2 0.922 81.4 167.1 48.1 52.0 34.1 27.6 -6.7 55 55 A M E -C 6 0A 13 -49,-2.3 -49,-2.9 -3,-0.1 -1,-0.2 -0.855 36.3-129.5 -96.8 111.9 32.7 27.4 -3.2 56 56 A I E -C 5 0A 1 -2,-0.8 62,-2.8 -51,-0.3 57,-0.4 -0.392 31.5-139.5 -57.8 129.0 35.5 27.1 -0.6 57 57 A L + 0 0 0 -53,-2.2 63,-2.3 63,-0.2 -53,-0.2 -0.164 51.2 71.1 -85.6 178.3 34.6 24.2 1.6 58 58 A G - 0 0 1 60,-0.2 61,-2.2 61,-0.2 62,-0.3 0.493 32.6-170.5 89.3 134.7 34.9 23.6 5.4 59 59 A H + 0 0 6 -24,-0.4 2,-0.5 59,-0.2 53,-0.1 0.102 62.5 88.7-143.5 23.6 33.0 25.0 8.3 60 60 A E E +D 35 0B 0 -25,-0.5 -25,-1.7 25,-0.1 2,-0.3 -0.923 54.3 140.5-126.5 108.3 35.0 23.8 11.3 61 61 A A E -DG 34 83B 0 22,-0.7 22,-1.9 -2,-0.5 2,-0.4 -0.998 41.1-157.6-148.9 145.9 37.8 26.2 12.4 62 62 A V E +DG 33 82B 0 -29,-2.3 -30,-3.8 -2,-0.3 -29,-1.9 -0.964 42.3 163.9-111.7 139.0 39.7 27.7 15.3 63 63 A G E -DG 31 81B 0 18,-2.6 18,-3.2 -2,-0.4 2,-0.5 -0.840 40.8-106.8-147.3 178.4 41.3 30.9 14.3 64 64 A E E -DG 30 80B 45 -34,-2.5 -34,-2.3 -2,-0.3 16,-0.2 -0.974 36.8-121.7-115.1 128.6 43.1 34.2 15.0 65 65 A V E +D 29 0B 0 14,-3.3 13,-3.3 -2,-0.5 -36,-0.2 -0.509 31.1 175.3 -66.7 130.4 41.2 37.4 14.3 66 66 A V E + 0 0 31 -38,-2.9 2,-0.3 1,-0.4 -37,-0.2 0.556 65.4 5.3-113.2 -16.9 43.2 39.5 11.9 67 67 A E E -D 28 0B 66 -39,-1.5 -39,-3.0 9,-0.1 -1,-0.4 -0.927 57.9-164.4-163.0 149.4 40.7 42.4 11.4 68 68 A V E -D 27 0B 43 -2,-0.3 -41,-0.2 -41,-0.2 2,-0.1 -0.876 28.8-105.3-126.1 160.2 37.4 43.6 12.8 69 69 A G > - 0 0 10 -43,-2.1 3,-1.8 -2,-0.3 -46,-0.1 -0.377 40.0-100.9 -80.4 164.7 34.9 46.2 11.6 70 70 A S T 3 S+ 0 0 106 1,-0.3 -45,-0.1 -2,-0.1 -1,-0.1 0.633 121.8 51.0 -64.8 -14.4 34.5 49.6 13.2 71 71 A E T 3 S+ 0 0 95 -47,-2.7 2,-0.3 -45,-0.1 -1,-0.3 0.476 81.1 112.7 -99.9 -3.4 31.5 48.4 15.2 72 72 A V < + 0 0 19 -3,-1.8 -4,-0.1 -48,-0.5 -46,-0.1 -0.552 36.5 172.4 -75.5 126.7 33.1 45.3 16.7 73 73 A K + 0 0 169 -2,-0.3 -1,-0.1 -48,-0.1 -48,-0.0 0.770 65.1 42.3-106.9 -32.6 33.5 45.5 20.5 74 74 A D S S+ 0 0 73 1,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.464 105.0 57.5-105.9 -1.0 34.6 42.3 22.0 75 75 A F + 0 0 7 4,-0.0 55,-0.1 60,-0.0 54,-0.0 -0.981 53.7 176.3-134.6 144.7 37.2 41.0 19.5 76 76 A K > - 0 0 129 -2,-0.4 3,-2.3 -9,-0.1 -11,-0.3 -0.940 45.9 -72.7-140.3 159.7 40.5 42.4 18.2 77 77 A P T 3 S+ 0 0 72 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.255 119.4 35.4 -51.8 139.5 43.3 41.2 15.9 78 78 A G T 3 S+ 0 0 40 -13,-3.3 2,-0.2 1,-0.4 -12,-0.1 0.054 85.2 131.0 99.7 -23.7 45.4 38.6 17.6 79 79 A D < - 0 0 21 -3,-2.3 -14,-3.3 -14,-0.2 2,-0.4 -0.471 53.8-137.7 -66.3 129.8 42.5 37.1 19.5 80 80 A R E -G 64 0B 125 -16,-0.2 56,-2.6 -2,-0.2 2,-0.3 -0.759 32.2-177.3 -86.1 132.1 42.2 33.4 19.2 81 81 A V E -GH 63 135B 0 -18,-3.2 -18,-2.6 -2,-0.4 2,-0.6 -0.941 35.1-132.1-137.8 148.2 38.6 32.2 18.7 82 82 A V E -GH 62 134B 0 52,-2.3 52,-1.5 -2,-0.3 -20,-0.2 -0.898 30.8-153.0 -90.1 123.8 36.4 29.2 18.3 83 83 A V E -G 61 0B 1 -22,-1.9 -22,-0.7 -2,-0.6 50,-0.1 -0.909 11.3-132.2-102.6 120.2 34.2 29.8 15.2 84 84 A P - 0 0 0 0, 0.0 66,-0.1 0, 0.0 213,-0.1 -0.416 11.0-130.4 -67.3 150.7 30.8 28.1 15.2 85 85 A A S S+ 0 0 1 64,-2.2 2,-0.7 211,-0.2 26,-0.6 0.840 100.7 59.2 -63.2 -37.4 29.8 26.2 12.1 86 86 A I B +J 110 0C 4 63,-0.4 212,-2.0 210,-0.2 24,-0.2 -0.867 63.3 172.5 -99.2 115.1 26.5 28.0 12.2 87 87 A T - 0 0 0 22,-1.4 40,-0.2 -2,-0.7 45,-0.1 -0.783 18.6-166.2-124.2 86.5 26.9 31.8 12.1 88 88 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 21,-0.1 -0.256 30.2-113.1 -75.1 154.3 23.4 33.3 11.8 89 89 A D - 0 0 73 14,-0.3 6,-0.1 11,-0.2 3,-0.1 -0.808 35.4-153.1 -74.4 120.5 22.3 36.8 10.9 90 90 A W S S+ 0 0 10 -2,-0.7 2,-1.1 1,-0.2 -1,-0.1 0.703 74.1 71.9 -81.3 -17.3 20.9 37.7 14.2 91 91 A R S S+ 0 0 73 4,-0.1 2,-0.3 12,-0.1 -1,-0.2 -0.596 74.4 107.8-101.8 74.9 18.2 40.3 13.3 92 92 A T S > S- 0 0 23 -2,-1.1 4,-1.6 -3,-0.1 3,-0.3 -0.924 79.0-108.9-141.2 164.5 15.5 38.1 11.7 93 93 A S H > S+ 0 0 59 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.889 116.6 60.8 -63.9 -37.3 12.0 36.9 12.5 94 94 A E H >>S+ 0 0 32 1,-0.2 5,-3.0 2,-0.2 4,-0.5 0.869 102.9 51.4 -60.5 -34.3 13.4 33.3 12.9 95 95 A V H >45S+ 0 0 14 -3,-0.3 3,-1.2 3,-0.2 -1,-0.2 0.920 108.4 51.2 -66.1 -40.1 15.6 34.6 15.7 96 96 A Q H 3<5S+ 0 0 32 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.857 109.1 51.9 -64.5 -31.0 12.5 36.2 17.3 97 97 A R H 3<5S- 0 0 22 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.579 122.7-108.1 -79.8 -9.9 10.8 32.8 16.9 98 98 A G T <<5S+ 0 0 53 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.1 0.675 89.4 107.0 93.4 20.7 13.7 31.1 18.7 99 99 A Y > < + 0 0 71 -5,-3.0 3,-2.3 -6,-0.1 -4,-0.1 -0.507 28.9 162.8-132.8 63.6 15.3 29.3 15.7 100 100 A H G > + 0 0 31 1,-0.3 3,-2.2 -5,-0.2 -11,-0.2 0.789 69.4 74.7 -54.7 -29.4 18.5 31.1 14.8 101 101 A Q G 3 S+ 0 0 7 1,-0.3 8,-2.6 193,-0.1 9,-0.6 0.734 103.5 40.1 -55.7 -22.3 19.6 28.0 12.7 102 102 A H G X S+ 0 0 0 -3,-2.3 3,-2.7 6,-0.2 2,-0.3 -0.019 79.3 151.6-118.3 29.6 17.1 29.1 10.1 103 103 A S T < S+ 0 0 1 -3,-2.2 -14,-0.3 1,-0.3 -3,-0.1 -0.479 80.7 7.2 -65.9 121.3 17.6 32.8 10.2 104 104 A G T 3 S- 0 0 57 -2,-0.3 -1,-0.3 -16,-0.1 2,-0.2 0.571 140.7 -30.5 80.1 9.4 16.8 34.1 6.8 105 105 A G S X S- 0 0 23 -3,-2.7 3,-2.1 859,-0.0 4,-0.4 -0.624 98.0 -27.8 135.1 170.1 15.4 30.7 5.8 106 106 A M T 3 S- 0 0 68 1,-0.3 -4,-0.1 -2,-0.2 886,-0.1 -0.314 128.3 -10.0 -57.1 120.9 15.7 26.9 6.2 107 107 A L T > S+ 0 0 12 884,-0.2 3,-2.1 1,-0.1 -1,-0.3 0.443 97.3 129.1 71.7 0.3 19.3 26.0 7.2 108 108 A A T < + 0 0 22 -3,-2.1 -6,-0.2 1,-0.3 -2,-0.1 0.666 57.1 70.6 -68.1 -16.7 20.3 29.6 6.5 109 109 A G T 3 S+ 0 0 0 -8,-2.6 -22,-1.4 -4,-0.4 2,-0.9 0.773 87.0 77.3 -66.2 -23.5 22.1 30.0 9.8 110 110 A W B < +J 86 0C 8 -3,-2.1 5,-0.2 -9,-0.6 -24,-0.2 -0.778 57.4 151.4 -88.1 106.0 24.6 27.5 8.3 111 111 A K >>> + 0 0 34 -2,-0.9 3,-2.4 -26,-0.6 4,-1.7 0.883 36.2 88.6-104.5 -53.7 26.7 29.7 6.0 112 112 A F B 345S-k 116 0D 0 -27,-0.5 5,-0.2 1,-0.3 6,-0.2 -0.302 113.7 -4.5 -53.4 125.4 30.2 28.3 5.6 113 113 A S T 345S+ 0 0 1 3,-2.8 -1,-0.3 -57,-0.4 4,-0.1 0.558 131.0 69.3 62.5 10.4 30.3 25.8 2.8 114 114 A N T <45S- 0 0 14 -3,-2.4 -2,-0.2 2,-0.4 -3,-0.2 0.662 128.7 -18.2-111.0 -62.9 26.5 26.1 2.3 115 115 A V T <5S+ 0 0 93 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.005 130.8 52.8-133.4 27.5 25.9 29.6 0.9 116 116 A K B > S- 0 0 15 -2,-0.2 4,-1.7 3,-0.1 3,-1.2 0.960 71.2-164.8 55.6 68.3 28.7 39.7 13.2 129 129 A A H 3> S+ 0 0 0 -104,-2.2 4,-1.9 -3,-0.4 3,-0.3 0.869 83.2 54.7 -49.0 -48.3 31.8 38.9 15.3 130 130 A D H 34 S+ 0 0 14 -105,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.755 117.0 36.4 -64.7 -26.3 30.4 40.0 18.6 131 131 A M H <4 S+ 0 0 6 -3,-1.2 168,-3.2 1,-0.1 169,-0.4 0.650 126.0 36.8 -95.0 -18.5 27.4 37.6 18.2 132 132 A N H < S+ 0 0 0 -4,-1.7 2,-0.3 -3,-0.3 166,-0.2 0.393 99.7 74.5-123.2 1.7 29.2 34.7 16.5 133 133 A L < - 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