==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-DEC-11 3UXY . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE SDR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 963 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 721 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 3 0 0 0 1 6 0 4 8 0 0 4 2 2 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 3 4 13 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 4 A F > 0 0 59 0, 0.0 3,-2.2 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 -9.3 -1.5 0.3 65.7 2 5 A E T 3 + 0 0 177 1,-0.3 26,-0.2 24,-0.1 25,-0.1 -0.374 360.0 9.0 -62.0 126.7 -2.9 -3.3 65.7 3 6 A G T 3 S+ 0 0 39 24,-1.3 -1,-0.3 1,-0.3 25,-0.1 0.352 101.7 125.2 85.4 -6.4 -6.6 -3.2 65.1 4 7 A K < - 0 0 78 -3,-2.2 25,-2.9 23,-0.2 2,-0.4 -0.432 51.1-140.7 -85.2 161.6 -6.6 0.5 64.3 5 8 A V E -a 29 0A 0 23,-0.2 66,-2.4 -2,-0.1 67,-1.9 -0.985 17.8-171.6-124.9 133.5 -8.1 2.1 61.1 6 9 A A E -ab 30 72A 0 23,-2.3 25,-3.1 -2,-0.4 2,-0.5 -0.959 16.9-149.9-127.3 141.7 -6.5 5.0 59.2 7 10 A L E -ab 31 73A 0 65,-2.6 67,-2.8 -2,-0.4 2,-0.5 -0.922 17.2-171.9-100.1 131.0 -7.5 7.2 56.4 8 11 A V E -ab 32 74A 0 23,-2.4 25,-2.6 -2,-0.5 3,-0.4 -0.975 4.2-161.7-123.7 120.2 -4.7 8.5 54.2 9 12 A T S S+ 0 0 3 65,-2.5 25,-0.2 -2,-0.5 23,-0.0 -0.502 77.2 34.1 -90.0 167.9 -5.3 11.1 51.5 10 13 A G S > S+ 0 0 6 23,-0.5 3,-1.5 -2,-0.2 6,-0.4 0.863 78.4 157.8 55.2 34.8 -2.9 11.8 48.6 11 14 A A T 3 + 0 0 2 22,-2.4 23,-0.2 -3,-0.4 9,-0.1 0.651 59.0 59.2 -70.0 -17.4 -2.4 8.1 48.9 12 15 A A T 3 S+ 0 0 62 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.540 92.9 86.2 -90.6 -7.9 -1.1 7.6 45.4 13 16 A G S <> S- 0 0 35 -3,-1.5 4,-3.2 1,-0.0 5,-0.3 -0.251 94.2 -94.6 -84.2 176.9 1.8 10.1 45.9 14 17 A G H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.953 123.2 34.4 -58.4 -57.2 5.3 9.5 47.3 15 18 A I H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 118.6 54.8 -66.1 -43.0 4.7 10.4 50.9 16 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.935 108.4 46.8 -54.8 -51.6 1.2 9.0 50.8 17 20 A G H X S+ 0 0 23 -4,-3.2 4,-2.5 -7,-0.3 -1,-0.2 0.899 112.4 50.7 -57.9 -43.3 2.3 5.6 49.6 18 21 A A H X S+ 0 0 9 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.896 110.3 49.4 -64.5 -40.0 5.1 5.5 52.2 19 22 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.935 111.4 49.2 -63.9 -44.1 2.6 6.4 55.0 20 23 A V H X S+ 0 0 4 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.955 112.4 48.2 -58.9 -48.8 0.2 3.7 53.8 21 24 A T H X S+ 0 0 99 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 112.0 48.1 -59.9 -45.9 2.9 1.1 53.7 22 25 A A H X S+ 0 0 19 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.885 112.2 49.0 -64.3 -44.0 4.2 2.0 57.2 23 26 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-0.4 0.925 112.4 47.5 -61.1 -44.4 0.7 1.9 58.8 24 27 A R H ><5S+ 0 0 89 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.919 111.2 50.8 -69.3 -37.6 -0.2 -1.4 57.3 25 28 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.3 55.3 -61.7 -33.0 3.2 -2.9 58.4 26 29 A A T 3<5S- 0 0 33 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.528 128.6-101.2 -79.0 -5.5 2.5 -1.6 61.9 27 30 A G T < 5S+ 0 0 33 -3,-1.2 -24,-1.3 -4,-0.4 -3,-0.2 0.526 76.6 134.9 100.8 6.4 -0.8 -3.5 61.8 28 31 A A < - 0 0 5 -5,-2.7 2,-0.5 -26,-0.2 -1,-0.3 -0.571 54.9-126.6 -79.5 149.9 -3.3 -0.8 61.0 29 32 A R E -a 5 0A 92 -25,-2.9 -23,-2.3 -2,-0.2 2,-0.5 -0.850 34.2-152.3 -88.2 135.6 -6.0 -1.3 58.4 30 33 A V E -a 6 0A 0 -2,-0.5 13,-2.3 -25,-0.2 14,-1.2 -0.943 18.8-157.4-124.0 129.9 -5.8 1.6 55.9 31 34 A A E -ac 7 44A 0 -25,-3.1 -23,-2.4 -2,-0.5 2,-0.4 -0.851 23.5-148.7 -92.9 129.1 -8.4 3.3 53.7 32 35 A V E -ac 8 45A 0 12,-2.7 14,-2.9 -2,-0.5 2,-0.4 -0.863 13.3-171.3-107.8 134.0 -6.7 5.0 50.8 33 36 A A + 0 0 2 -25,-2.6 -22,-2.4 -2,-0.4 -23,-0.5 -0.987 26.3 117.1-125.5 128.9 -8.0 8.2 49.1 34 37 A D S S- 0 0 39 -2,-0.4 14,-2.2 12,-0.3 3,-0.2 -0.925 78.4 -77.6-162.2-177.6 -6.7 9.9 45.9 35 38 A R S S+ 0 0 145 -2,-0.3 2,-0.3 12,-0.2 14,-0.1 0.877 122.3 4.9 -53.7 -38.3 -8.1 10.8 42.5 36 39 A A + 0 0 72 11,-0.1 -1,-0.2 1,-0.1 -24,-0.1 -0.985 65.2 159.2-149.7 139.7 -7.5 7.1 41.6 37 40 A V > + 0 0 5 -2,-0.3 3,-2.4 -3,-0.2 -1,-0.1 0.378 32.4 119.7-144.4 2.5 -6.3 4.3 43.9 38 41 A A T 3 S+ 0 0 96 1,-0.3 7,-0.0 7,-0.1 -1,-0.0 0.768 80.7 50.9 -55.4 -30.2 -7.3 0.9 42.4 39 42 A G T 3 S+ 0 0 82 2,-0.1 2,-0.3 -27,-0.0 -1,-0.3 0.543 86.4 103.4 -86.3 -5.6 -3.6 -0.3 42.2 40 43 A I S < S- 0 0 38 -3,-2.4 2,-0.7 1,-0.1 -8,-0.1 -0.603 75.9-123.7 -81.9 131.9 -2.7 0.5 45.8 41 44 A A + 0 0 71 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.643 61.0 125.1 -73.7 115.0 -2.5 -2.3 48.3 42 45 A A - 0 0 17 -2,-0.7 -11,-0.2 -10,-0.0 3,-0.1 -0.954 68.6-110.1-163.3 175.4 -4.9 -1.3 51.0 43 46 A D S S+ 0 0 56 -13,-2.3 2,-0.3 1,-0.3 -12,-0.2 0.604 100.9 16.6 -99.0 -14.8 -8.0 -2.4 53.1 44 47 A L E -c 31 0A 39 -14,-1.2 -12,-2.7 23,-0.0 2,-0.5 -0.943 67.9-148.0-156.3 139.9 -10.5 0.1 51.6 45 48 A H E +c 32 0A 72 -2,-0.3 -12,-0.2 -14,-0.2 -14,-0.1 -0.941 18.0 171.8-117.2 120.5 -10.3 2.1 48.4 46 49 A L - 0 0 31 -14,-2.9 -12,-0.3 -2,-0.5 2,-0.1 -0.605 10.2-176.2-131.6 74.3 -12.0 5.5 48.2 47 50 A P + 0 0 71 0, 0.0 2,-0.3 0, 0.0 -12,-0.2 -0.370 23.5 125.3 -69.6 145.9 -11.1 7.4 45.0 48 51 A G - 0 0 17 -14,-2.2 2,-0.7 -2,-0.1 -12,-0.1 -0.956 60.7 -90.1 175.8 172.2 -12.4 10.9 44.5 49 52 A D > - 0 0 26 -2,-0.3 3,-2.4 1,-0.1 7,-0.3 -0.875 27.4-153.1-101.9 109.3 -11.8 14.6 43.8 50 53 A L T 3 S+ 0 0 18 -2,-0.7 6,-0.2 1,-0.3 -1,-0.1 0.679 90.5 70.9 -54.8 -19.8 -11.2 16.5 47.1 51 54 A R T 3 S+ 0 0 119 4,-0.1 2,-0.7 5,-0.1 -1,-0.3 0.721 79.6 88.2 -71.2 -18.7 -12.6 19.7 45.5 52 55 A E S X> S- 0 0 127 -3,-2.4 4,-2.1 1,-0.2 3,-0.8 -0.736 73.5-150.2 -83.6 117.2 -16.0 18.1 45.6 53 56 A A H 3> S+ 0 0 31 -2,-0.7 4,-3.3 1,-0.3 5,-0.3 0.882 93.3 55.5 -55.2 -43.5 -17.5 19.0 49.0 54 57 A A H 3> S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.841 108.8 46.9 -61.0 -34.9 -19.7 15.8 49.1 55 58 A Y H <> S+ 0 0 38 -3,-0.8 4,-0.7 -6,-0.3 -1,-0.2 0.945 117.4 41.3 -75.2 -45.1 -16.7 13.6 48.6 56 59 A A H >< S+ 0 0 0 -4,-2.1 3,-0.7 -7,-0.3 -2,-0.2 0.904 115.3 50.8 -67.6 -41.8 -14.5 15.3 51.2 57 60 A D H 3< S+ 0 0 52 -4,-3.3 4,-0.4 -5,-0.2 -1,-0.2 0.832 115.3 45.3 -60.4 -33.6 -17.4 15.7 53.7 58 61 A G H 3X S+ 0 0 36 -4,-1.2 4,-2.2 -5,-0.3 -1,-0.2 0.532 86.1 91.2 -93.2 -6.7 -18.2 12.0 53.3 59 62 A L H S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.901 114.7 48.8 -60.9 -39.2 -14.5 9.9 57.3 61 64 A G H > S+ 0 0 39 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.844 107.6 55.4 -64.6 -34.8 -18.0 8.3 57.3 62 65 A A H X S+ 0 0 38 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.851 109.2 47.6 -66.5 -33.2 -17.1 6.1 54.4 63 66 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 6,-0.5 0.941 111.4 49.0 -72.8 -47.7 -14.2 4.8 56.3 64 67 A A H X S+ 0 0 27 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.911 116.0 44.4 -57.9 -42.5 -16.2 4.1 59.5 65 68 A A H < S+ 0 0 91 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.898 118.6 42.4 -67.1 -40.1 -18.9 2.3 57.5 66 69 A G H < S+ 0 0 43 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.860 130.7 21.6 -80.6 -34.9 -16.4 0.3 55.4 67 70 A L H < S- 0 0 24 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.402 102.3-114.8-117.4 0.5 -14.0 -0.7 58.1 68 71 A G S < S+ 0 0 65 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 0.264 84.5 23.9 90.5 -13.7 -16.0 -0.4 61.3 69 72 A R - 0 0 114 -6,-0.5 2,-0.3 -65,-0.0 -2,-0.2 -0.977 60.6-135.8-169.2 171.8 -14.1 2.5 62.9 70 73 A L + 0 0 10 -2,-0.3 -64,-0.2 44,-0.1 48,-0.1 -0.869 29.7 153.5-147.6 110.9 -11.7 5.5 62.4 71 74 A D + 0 0 17 -66,-2.4 51,-2.5 -2,-0.3 2,-0.4 0.702 65.6 31.8-107.9 -31.0 -8.7 6.1 64.6 72 75 A I E -bd 6 122A 2 -67,-1.9 -65,-2.6 49,-0.2 2,-0.4 -0.995 53.6-169.5-139.0 134.8 -6.3 8.0 62.5 73 76 A V E -bd 7 123A 0 49,-2.4 51,-3.3 -2,-0.4 2,-0.6 -0.996 3.9-167.1-122.9 130.9 -6.5 10.5 59.7 74 77 A V E -bd 8 124A 0 -67,-2.8 -65,-2.5 -2,-0.4 2,-1.2 -0.941 7.1-159.6-115.2 106.8 -3.6 11.6 57.6 75 78 A N E + d 0 125A 6 49,-2.0 51,-2.8 -2,-0.6 -65,-0.1 -0.748 38.4 140.9 -83.0 97.4 -4.3 14.7 55.5 76 79 A N + 0 0 22 -2,-1.2 -1,-0.2 49,-0.2 -66,-0.2 0.536 25.1 112.5-118.3 -15.1 -1.5 14.3 52.9 77 80 A A + 0 0 17 -3,-0.2 2,-0.3 22,-0.1 49,-0.1 -0.328 43.7 161.3 -62.1 145.3 -3.2 15.4 49.6 78 81 A G - 0 0 44 2,-0.0 2,-0.5 23,-0.0 18,-0.1 -0.963 37.6-132.4-168.4 146.6 -1.7 18.6 48.3 79 82 A V - 0 0 25 -2,-0.3 2,-0.4 17,-0.2 21,-0.0 -0.921 20.6-145.8-105.4 127.2 -1.3 20.8 45.2 80 83 A I + 0 0 135 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.755 30.8 158.5 -87.5 136.8 2.2 22.2 44.4 81 84 A S - 0 0 23 -2,-0.4 2,-0.3 57,-0.1 60,-0.0 -0.907 16.9-166.2-146.8 174.7 2.2 25.6 42.8 82 85 A R + 0 0 193 -2,-0.3 56,-0.3 5,-0.1 2,-0.1 -0.982 29.6 83.7-161.2 165.3 4.6 28.5 42.4 83 86 A G B -g 138 0B 4 54,-4.0 56,-1.9 -2,-0.3 57,-0.5 -0.298 69.7 -72.9 120.6 154.6 4.8 32.2 41.4 84 87 A R > - 0 0 81 54,-0.2 3,-2.6 53,-0.2 -2,-0.1 -0.413 57.4-100.1 -69.4 160.4 4.5 35.6 42.8 85 88 A I G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.808 124.6 62.8 -58.1 -27.7 0.9 36.6 43.5 86 89 A T G 3 S+ 0 0 41 1,-0.3 -1,-0.3 508,-0.0 -3,-0.0 0.639 103.9 48.1 -72.0 -13.6 1.0 38.6 40.2 87 90 A E G < S+ 0 0 88 -3,-2.6 2,-0.6 2,-0.1 -1,-0.3 0.116 90.1 105.6-107.8 15.5 1.5 35.3 38.4 88 91 A T < - 0 0 5 -3,-1.5 2,-0.1 -5,-0.0 -5,-0.1 -0.890 56.7-156.0-105.9 120.8 -1.3 33.5 40.2 89 92 A T > - 0 0 71 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.431 29.9-108.5 -89.6 166.1 -4.5 32.9 38.3 90 93 A D H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 121.6 51.5 -58.3 -38.1 -8.0 32.4 39.6 91 94 A A H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 108.1 50.7 -69.7 -40.8 -7.8 28.8 38.6 92 95 A D H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.945 111.7 50.8 -56.0 -47.9 -4.5 28.3 40.5 93 96 A W H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.944 110.9 45.3 -55.4 -53.5 -6.2 29.9 43.4 94 97 A S H X S+ 0 0 74 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.905 113.3 49.9 -63.7 -43.5 -9.3 27.7 43.4 95 98 A L H X S+ 0 0 62 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.928 115.5 41.2 -60.5 -49.7 -7.4 24.5 43.0 96 99 A S H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.5 0.920 117.3 46.4 -68.4 -45.8 -4.9 25.2 45.8 97 100 A L H X>S+ 0 0 17 -4,-2.7 5,-2.5 -5,-0.3 4,-1.7 0.959 114.1 50.6 -58.6 -47.2 -7.4 26.6 48.3 98 101 A G H <>S+ 0 0 5 -4,-2.4 5,-1.6 -5,-0.3 -2,-0.2 0.897 122.4 27.5 -59.5 -44.2 -9.8 23.7 47.6 99 102 A V H <5S+ 0 0 15 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 124.7 43.1 -90.3 -38.8 -7.3 20.9 48.0 100 103 A N H <5S+ 0 0 1 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.749 133.6 5.1 -81.0 -23.6 -4.7 22.3 50.5 101 104 A V T X5S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.5 -3,-0.2 0.717 125.8 47.9-128.2 -57.4 -7.1 23.9 53.0 102 105 A E H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.880 112.0 54.8 -54.2 -37.7 -8.6 19.1 55.2 105 108 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.944 110.3 44.3 -60.9 -48.4 -11.2 21.4 56.8 106 109 A R H X S+ 0 0 16 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.896 114.4 48.9 -63.6 -41.9 -14.1 19.3 55.6 107 110 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.937 114.5 44.5 -66.9 -46.4 -12.5 16.0 56.5 108 111 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.917 109.6 55.6 -63.2 -46.6 -11.6 17.1 60.0 109 112 A R H < S+ 0 0 39 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.864 116.7 38.3 -51.3 -39.4 -15.0 18.6 60.6 110 113 A A H X S+ 0 0 29 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.841 116.5 49.7 -80.4 -37.8 -16.5 15.2 59.7 111 114 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.832 98.2 67.6 -72.3 -32.5 -13.9 13.0 61.4 112 115 A I H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.910 97.8 48.2 -63.2 -46.4 -13.9 14.7 64.8 113 116 A P H > S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.908 113.3 50.5 -60.0 -40.6 -17.5 13.8 65.9 114 117 A L H X S+ 0 0 68 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.920 114.7 42.4 -61.0 -47.3 -16.7 10.2 65.0 115 118 A X H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.898 112.4 53.7 -68.6 -38.9 -13.5 10.1 66.9 116 119 A A H ><5S+ 0 0 30 -4,-3.2 3,-1.1 -5,-0.2 -2,-0.2 0.934 108.6 49.7 -60.0 -44.8 -15.0 12.0 69.9 117 120 A A H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 110.2 51.2 -62.3 -35.4 -17.8 9.4 70.1 118 121 A A H 3<5S- 0 0 82 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.522 123.7-101.5 -81.3 -7.5 -15.2 6.6 70.0 119 122 A G T <<5S- 0 0 64 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.2 0.541 78.2 -31.3 101.7 6.8 -13.1 8.1 72.8 120 123 A G < + 0 0 15 -5,-2.5 2,-0.3 -6,-0.1 44,-0.3 -0.795 54.0 177.8 140.8 179.3 -10.3 9.7 70.9 121 124 A G E - 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