==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAY-12 4AT2 . COMPND 2 MOLECULE: 3-KETOSTEROID-DELTA4-5ALPHA-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR N.VAN OOSTERWIJK,J.KNOL,L.DIJKHUIZEN,R.VAN DER GEIZE,B.W.DIJ . 483 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 12.4 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 1 0 3 0 2 1 2 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 5 4 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 1 0 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 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 I 0 0 78 0, 0.0 201,-0.4 0, 0.0 271,-0.1 0.000 360.0 360.0 360.0 -24.3 39.4 46.1 26.4 2 8 A R - 0 0 208 1,-0.1 271,-0.1 199,-0.1 267,-0.1 -0.364 360.0 -90.4 -63.8 145.9 42.2 48.8 26.1 3 9 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 200,-0.2 -0.279 35.8-128.8 -62.5 146.1 42.6 50.8 29.3 4 10 A R E -a 203 0A 68 198,-2.4 200,-2.4 -3,-0.1 2,-0.3 -0.792 23.7-118.3 -92.2 133.1 40.6 54.0 29.7 5 11 A S E > -a 204 0A 47 -2,-0.4 3,-1.7 198,-0.2 4,-0.3 -0.585 13.8-136.6 -71.8 132.4 42.5 57.1 30.6 6 12 A A G > S+ 0 0 24 198,-2.5 3,-1.5 -2,-0.3 -1,-0.1 0.811 102.9 64.9 -58.3 -31.6 41.4 58.6 34.0 7 13 A T G 3 S+ 0 0 120 197,-0.3 -1,-0.3 1,-0.3 198,-0.1 0.750 97.7 56.0 -64.8 -22.4 41.5 62.1 32.5 8 14 A T G < S+ 0 0 69 -3,-1.7 2,-0.8 2,-0.0 -1,-0.3 0.450 80.9 100.1 -89.8 -3.6 38.6 61.1 30.1 9 15 A V < - 0 0 16 -3,-1.5 3,-0.1 -4,-0.3 -3,-0.0 -0.775 52.3-172.7 -85.8 111.0 36.3 60.0 32.9 10 16 A T + 0 0 138 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.853 68.0 2.4 -77.3 -36.5 34.0 62.9 33.4 11 17 A E - 0 0 128 3,-0.0 2,-0.6 0, 0.0 -1,-0.3 -0.990 66.5-128.3-149.7 147.6 32.2 61.6 36.5 12 18 A W - 0 0 59 -2,-0.3 212,-0.2 1,-0.1 3,-0.1 -0.848 10.9-162.9 -95.2 122.5 32.6 58.6 38.8 13 19 A D S S+ 0 0 60 210,-1.8 2,-0.3 -2,-0.6 211,-0.2 0.831 79.1 10.4 -71.7 -33.6 29.3 56.8 39.3 14 20 A Y E -b 224 0A 53 209,-1.5 211,-2.7 -3,-0.1 2,-0.3 -0.958 67.8-163.9-141.5 155.9 30.7 55.0 42.4 15 21 A E E +b 225 0A 75 -2,-0.3 2,-0.3 209,-0.2 211,-0.2 -0.996 15.9 153.7-143.2 144.4 33.8 55.3 44.5 16 22 A A E -b 226 0A 0 209,-2.0 211,-2.7 -2,-0.3 212,-0.2 -0.943 46.6-120.1-153.7 170.5 35.6 53.1 47.1 17 23 A D E S+ 0 0 19 23,-2.0 211,-2.8 1,-0.3 212,-1.9 0.918 106.8 26.5 -78.2 -50.2 39.1 52.5 48.5 18 24 A V E S-bc 229 41A 0 22,-2.3 24,-2.5 210,-0.2 2,-0.6 -0.972 72.9-163.7-118.8 120.9 39.1 48.9 47.3 19 25 A V E -bc 230 42A 1 210,-2.5 212,-3.1 -2,-0.5 2,-0.6 -0.935 6.4-162.2-107.2 118.5 37.0 47.8 44.4 20 26 A V E -bc 231 43A 0 22,-2.7 24,-3.4 -2,-0.6 2,-0.8 -0.907 5.6-153.6-105.3 117.9 36.5 44.0 44.1 21 27 A A E +bc 232 44A 1 210,-3.1 212,-2.2 -2,-0.6 24,-0.2 -0.809 68.9 25.0 -91.4 109.8 35.3 42.7 40.7 22 28 A G - 0 0 7 22,-2.9 2,-0.4 -2,-0.8 23,-0.2 0.381 65.4-135.3 106.8 122.1 33.4 39.4 41.3 23 29 A Y + 0 0 5 26,-0.2 28,-2.7 4,-0.1 2,-0.1 -0.415 67.1 103.7-107.8 55.1 31.5 38.2 44.3 24 30 A G S > S- 0 0 13 209,-0.5 4,-2.6 -2,-0.4 5,-0.3 -0.196 93.5 -59.3-108.6-152.1 32.7 34.6 44.5 25 31 A I H > S+ 0 0 10 26,-0.3 4,-2.0 1,-0.2 5,-0.2 0.918 134.7 44.5 -64.9 -45.3 35.2 33.0 46.9 26 32 A A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 115.8 49.0 -65.0 -43.4 38.2 35.2 46.0 27 33 A G H > S+ 0 0 0 206,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.916 111.3 46.5 -63.9 -46.0 36.2 38.3 46.0 28 34 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.918 112.8 50.3 -67.4 -39.1 34.5 37.8 49.4 29 35 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.905 111.9 48.3 -62.9 -42.4 37.8 36.9 51.1 30 36 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.909 110.3 52.3 -61.7 -43.5 39.4 40.0 49.6 31 37 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.886 107.3 52.0 -63.7 -39.1 36.5 42.1 50.8 32 38 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.945 113.6 42.6 -62.7 -49.2 36.8 40.8 54.4 33 39 A E H X S+ 0 0 24 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.913 114.6 50.1 -65.9 -41.5 40.5 41.6 54.7 34 40 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 -1,-0.2 0.913 113.2 46.3 -64.7 -41.1 40.2 45.0 53.0 35 41 A A H ><5S+ 0 0 15 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.891 110.5 52.2 -68.1 -41.3 37.3 46.0 55.3 36 42 A R H 3<5S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.2 58.7 -62.1 -30.5 39.1 44.7 58.5 37 43 A A T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.497 126.0-104.1 -76.0 -5.6 42.1 46.8 57.4 38 44 A G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.442 73.5 141.6 96.9 3.1 39.7 49.9 57.5 39 45 A A < - 0 0 9 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.3 -0.433 58.8-116.0 -78.0 149.7 39.2 50.4 53.8 40 46 A D - 0 0 51 -2,-0.1 -22,-2.3 441,-0.1 -23,-2.0 -0.791 42.8-159.1 -80.6 115.8 35.9 51.4 52.1 41 47 A V E -c 18 0A 3 -2,-0.7 151,-2.6 149,-0.2 2,-0.4 -0.885 19.1-177.4-112.2 131.0 35.1 48.3 50.1 42 48 A L E -cd 19 192A 1 -24,-2.5 -22,-2.7 -2,-0.4 2,-0.4 -0.984 10.6-157.8-125.6 121.6 32.8 47.9 47.1 43 49 A V E -cd 20 193A 0 149,-3.0 151,-2.6 -2,-0.4 2,-0.6 -0.825 5.5-155.5 -96.0 133.4 32.2 44.6 45.4 44 50 A L E -cd 21 194A 3 -24,-3.4 -22,-2.9 -2,-0.4 2,-0.5 -0.950 13.3-172.7-111.2 117.7 30.9 44.7 41.8 45 51 A E - 0 0 14 149,-2.9 152,-2.8 -2,-0.6 151,-0.3 -0.947 20.7-152.1-120.1 130.7 29.0 41.5 40.7 46 52 A R S S+ 0 0 79 -2,-0.5 152,-0.1 150,-0.3 -1,-0.1 0.842 80.2 52.8 -68.9 -38.2 27.9 40.8 37.2 47 53 A T S S- 0 0 44 2,-0.3 149,-2.0 149,-0.1 150,-0.4 -0.133 101.7 -94.6 -87.2-170.6 24.8 38.7 38.1 48 54 A S S S+ 0 0 115 147,-0.2 2,-0.3 148,-0.1 147,-0.1 0.508 99.5 21.3 -86.7 -3.8 22.0 39.6 40.4 49 55 A G S S- 0 0 26 146,-0.0 3,-0.4 0, 0.0 -2,-0.3 -0.962 80.7 -89.9-156.3 170.8 23.5 37.9 43.5 50 56 A W S S+ 0 0 73 -2,-0.3 -26,-0.2 1,-0.2 -2,-0.1 -0.330 80.4 66.4 -81.7 163.9 26.6 36.5 45.2 51 57 A G >> - 0 0 1 -28,-2.7 4,-1.7 -2,-0.1 3,-0.6 -0.253 55.4-174.7 128.6 -46.5 28.2 33.1 45.0 52 58 A G T 34 S- 0 0 26 -3,-0.4 4,-0.4 1,-0.2 3,-0.3 -0.128 71.2 -29.7 53.1-147.6 29.4 32.5 41.5 53 59 A A T >> S+ 0 0 25 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.774 135.2 71.7 -65.5 -28.2 30.8 29.0 40.8 54 60 A T G X4 S+ 0 0 13 -3,-0.6 3,-1.3 1,-0.3 -2,-0.2 0.908 91.9 52.9 -57.3 -45.7 31.8 28.8 44.5 55 61 A A G 3< S+ 0 0 12 -4,-1.7 118,-1.0 -3,-0.3 121,-0.6 0.684 112.1 47.6 -66.1 -16.8 28.2 28.5 45.7 56 62 A L G <4 S+ 0 0 41 -3,-1.1 114,-2.7 -4,-0.4 115,-0.3 0.479 92.8 108.5 -99.3 -5.2 27.7 25.5 43.3 57 63 A A S << S- 0 0 26 -3,-1.3 118,-2.9 -4,-0.6 119,-0.4 -0.225 82.3-112.8 -74.6 161.3 30.9 23.7 44.3 58 64 A G - 0 0 15 116,-0.2 116,-0.3 115,-0.2 -1,-0.1 0.759 52.9-119.7 -62.1 -26.8 31.3 20.5 46.3 59 65 A G + 0 0 1 1,-0.3 -1,-0.1 115,-0.2 2,-0.1 0.441 56.4 154.3 100.6 3.3 32.9 22.6 49.0 60 66 A F - 0 0 17 101,-0.2 2,-0.4 99,-0.1 406,-0.4 -0.392 21.5-170.0 -60.6 137.8 36.4 21.0 49.2 61 67 A I E -I 160 0B 0 99,-1.6 99,-2.5 405,-0.1 2,-1.1 -0.990 22.5-131.5-131.1 118.9 39.0 23.4 50.4 62 68 A Y E +I 159 0B 0 401,-2.5 2,-0.3 -2,-0.4 97,-0.2 -0.609 48.3 147.4 -79.4 99.5 42.6 22.0 50.1 63 69 A L + 0 0 0 95,-2.4 2,-0.3 -2,-1.1 -2,-0.1 -0.933 6.9 125.6-135.5 153.8 44.2 22.6 53.5 64 70 A G + 0 0 0 -2,-0.3 46,-0.2 39,-0.1 43,-0.1 -0.895 20.6 120.8-175.0-158.2 46.8 20.8 55.6 65 71 A G S S- 0 0 11 13,-0.3 12,-0.1 -2,-0.3 15,-0.1 0.545 112.6 -37.9 85.4 10.8 50.0 20.9 57.6 66 72 A G S S- 0 0 7 12,-0.2 -1,-0.1 10,-0.1 -2,-0.1 0.812 78.5-177.6 106.5 49.0 48.2 19.9 60.8 67 73 A T > - 0 0 0 1,-0.1 4,-2.5 -4,-0.1 5,-0.2 -0.329 42.3-109.9 -70.1 159.6 44.8 21.5 60.9 68 74 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.837 121.9 54.6 -56.8 -30.9 42.6 21.0 64.0 69 75 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.941 107.5 47.3 -68.0 -48.1 40.4 18.9 61.7 70 76 A Q H 4>S+ 0 0 0 1,-0.2 5,-2.4 2,-0.2 4,-0.4 0.937 114.3 48.4 -55.6 -46.3 43.3 16.6 60.6 71 77 A K H ><5S+ 0 0 140 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.914 108.5 52.8 -63.2 -43.4 44.3 16.2 64.3 72 78 A A H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 112.7 45.7 -61.5 -30.8 40.8 15.4 65.4 73 79 A C T 3<5S- 0 0 29 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.414 119.8-111.6 -92.4 -2.4 40.6 12.7 62.8 74 80 A G T < 5 + 0 0 65 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.859 68.1 138.3 78.3 38.5 44.0 11.4 63.6 75 81 A F < - 0 0 48 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.1 -0.960 42.0-144.9-119.5 116.9 46.0 12.3 60.5 76 82 A D + 0 0 138 -2,-0.5 2,-0.3 79,-0.1 -10,-0.1 -0.460 31.3 152.5 -71.5 149.5 49.5 13.7 60.9 77 83 A D - 0 0 11 -12,-0.1 3,-0.1 -2,-0.1 -13,-0.0 -0.952 20.8-165.5-168.6 161.6 50.7 16.3 58.4 78 84 A S > - 0 0 47 -2,-0.3 4,-2.8 1,-0.1 -13,-0.3 -0.967 38.9-106.6-149.0 158.9 53.1 19.2 58.1 79 85 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 121.3 51.7 -56.7 -36.5 53.7 22.2 55.8 80 86 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.905 111.1 46.2 -67.2 -41.7 56.8 20.4 54.4 81 87 A N H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 113.6 49.3 -65.7 -43.3 54.9 17.2 53.7 82 88 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.918 111.6 49.4 -59.8 -45.2 52.0 19.1 52.1 83 89 A K H X S+ 0 0 28 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.916 108.4 53.2 -62.0 -43.5 54.5 21.1 49.9 84 90 A T H X S+ 0 0 50 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.929 112.5 44.9 -59.8 -45.0 56.3 17.9 48.8 85 91 A F H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.941 114.0 48.1 -61.5 -49.9 53.0 16.4 47.8 86 92 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.894 109.1 52.0 -65.0 -40.9 51.7 19.5 46.0 87 93 A M H < S+ 0 0 55 -4,-2.9 4,-0.4 1,-0.2 7,-0.3 0.901 116.4 41.9 -59.7 -40.3 55.0 20.1 44.0 88 94 A A H < S+ 0 0 45 -4,-1.6 -2,-0.2 -5,-0.3 3,-0.2 0.885 123.2 35.4 -73.0 -40.1 54.8 16.5 42.8 89 95 A A H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.694 116.9 47.5 -91.2 -24.0 51.1 16.3 42.0 90 96 A L S < S+ 0 0 0 -4,-2.4 367,-2.8 -5,-0.2 368,-1.2 0.284 107.5 36.2-111.2 10.1 50.2 19.8 40.8 91 97 A G - 0 0 11 -4,-0.4 368,-2.1 -3,-0.2 2,-0.2 0.022 30.3-169.0 -96.1-153.7 53.0 20.4 38.2 92 98 A P S S+ 0 0 122 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.515 119.0 6.5 -72.4 163.5 55.1 20.0 36.2 93 99 A G S S+ 0 0 58 -2,-0.2 -2,-0.1 1,-0.2 186,-0.1 0.764 88.0 178.2 68.6 28.0 56.6 23.5 36.8 94 100 A A - 0 0 13 -7,-0.3 2,-1.0 1,-0.1 -1,-0.2 -0.279 41.7 -99.7 -60.6 148.5 54.5 24.3 39.8 95 101 A D > - 0 0 36 360,-0.3 4,-2.8 359,-0.3 5,-0.2 -0.598 37.0-169.0 -75.2 101.1 55.2 27.7 41.5 96 102 A E H > S+ 0 0 107 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.897 83.4 51.7 -64.5 -41.4 57.4 26.6 44.4 97 103 A E H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 114.0 43.9 -57.7 -48.5 57.3 30.0 46.1 98 104 A K H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.935 115.0 47.1 -65.7 -47.7 53.5 30.1 46.0 99 105 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.926 112.5 50.5 -60.4 -43.3 53.0 26.5 47.1 100 106 A T H X S+ 0 0 38 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.944 113.1 46.6 -57.7 -48.8 55.5 26.9 49.9 101 107 A D H X S+ 0 0 36 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.908 111.8 50.3 -59.1 -47.5 53.6 30.1 51.0 102 108 A Y H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.7 46.2 -59.0 -41.1 50.2 28.4 50.8 103 109 A C H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.906 109.8 51.6 -71.6 -42.7 51.4 25.4 52.8 104 110 A E H 3< S+ 0 0 117 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.807 117.3 40.4 -64.9 -28.3 53.1 27.5 55.6 105 111 A G T 3X S+ 0 0 14 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.327 87.9 100.6 -98.9 7.2 49.9 29.5 56.0 106 112 A S H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.905 80.8 45.4 -67.6 -47.1 47.4 26.6 55.7 107 113 A V H > S+ 0 0 43 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.931 114.0 50.9 -62.0 -43.5 46.6 26.0 59.4 108 114 A E H > S+ 0 0 97 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 110.7 50.7 -57.9 -40.0 46.2 29.7 60.0 109 115 A H H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.902 107.5 51.2 -69.0 -39.7 43.9 29.9 57.0 110 116 A Y H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.942 112.8 47.1 -57.7 -49.0 41.7 27.0 58.2 111 117 A N H X S+ 0 0 74 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.856 108.8 54.9 -61.2 -37.4 41.4 28.7 61.6 112 118 A W H X S+ 0 0 19 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.911 108.6 48.0 -62.1 -43.9 40.6 32.0 59.8 113 119 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.3 0.922 111.1 50.3 -63.5 -44.9 37.7 30.3 58.0 114 120 A V H ><5S+ 0 0 63 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.915 107.9 54.0 -58.3 -43.5 36.4 28.8 61.2 115 121 A D H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 103.5 56.1 -59.9 -36.0 36.6 32.2 62.9 116 122 A C T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.1 69,-0.2 0.503 129.6 -97.4 -75.0 -5.6 34.5 33.6 60.0 117 123 A G T < 5S+ 0 0 44 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.557 71.5 149.5 102.0 11.3 31.8 31.0 60.9 118 124 A V < - 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