==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JAN-11 3Q6J . COMPND 2 MOLECULE: 2-OXOPROPYL-COM REDUCTASE, CARBOXYLATING; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR A.S.PANDEY,D.W.MULDER,S.A.ENSIGN,J.W.PETERS . 1044 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 715 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 83 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 2 3 3 4 0 2 0 2 7 5 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 11 3 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 0 PARALLEL BRIDGES PER LADDER . 6 0 6 4 0 10 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 . 2 4 0 4 0 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 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 K 0 0 174 0, 0.0 30,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 109.6 -39.4 11.9 -3.1 2 3 A V E -a 31 0A 66 28,-0.2 2,-0.8 166,-0.1 30,-0.2 -0.914 360.0-153.4-113.5 118.6 -38.0 8.3 -3.2 3 4 A W E -a 32 0A 27 28,-3.1 30,-2.5 -2,-0.5 2,-1.2 -0.808 11.6-146.3 -88.5 112.4 -34.5 7.4 -4.5 4 5 A N E +a 33 0A 86 -2,-0.8 3,-0.3 1,-0.2 30,-0.2 -0.678 29.5 166.5 -79.9 100.8 -34.5 3.8 -5.7 5 6 A A > + 0 0 2 28,-2.2 3,-1.7 -2,-1.2 29,-0.2 0.436 40.0 105.7 -98.3 -3.7 -30.9 3.0 -4.8 6 7 A R T 3 S+ 0 0 47 27,-0.8 -1,-0.2 1,-0.3 28,-0.1 0.865 89.8 33.6 -48.4 -49.4 -31.0 -0.8 -5.2 7 8 A N T 3 S+ 0 0 133 -3,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.301 99.0 95.0-100.3 10.7 -29.1 -0.9 -8.4 8 9 A D < - 0 0 71 -3,-1.7 2,-0.1 2,-0.0 -3,-0.0 -0.693 57.5-158.7 -90.6 152.2 -26.8 2.1 -7.8 9 10 A H - 0 0 120 -2,-0.3 -3,-0.1 136,-0.0 -2,-0.0 -0.570 12.7-175.4-135.8 70.9 -23.3 1.3 -6.3 10 11 A L - 0 0 19 -2,-0.1 2,-0.1 1,-0.1 -2,-0.0 -0.297 23.1-123.8 -63.3 146.2 -21.8 4.3 -4.6 11 12 A T > - 0 0 13 1,-0.1 4,-2.4 934,-0.0 5,-0.2 -0.294 34.6 -96.4 -76.0 175.5 -18.3 4.1 -3.2 12 13 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.951 127.4 44.0 -57.2 -48.6 -17.6 4.9 0.4 13 14 A N H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.797 111.9 51.1 -74.0 -30.9 -16.7 8.5 -0.4 14 15 A Q H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 110.3 51.3 -66.0 -42.0 -19.6 9.0 -2.8 15 16 A W H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.933 107.6 52.6 -59.4 -44.1 -21.8 7.7 -0.0 16 17 A A H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.894 112.4 44.8 -57.9 -43.3 -20.2 10.3 2.4 17 18 A T H X S+ 0 0 81 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.900 113.8 49.1 -65.9 -45.8 -21.0 13.1 -0.0 18 19 A R H X S+ 0 0 73 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.860 109.9 50.8 -64.5 -41.1 -24.5 12.0 -0.8 19 20 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.945 109.5 51.3 -63.0 -48.3 -25.4 11.6 2.9 20 21 A D H X S+ 0 0 68 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.918 109.3 51.4 -52.5 -45.9 -24.1 15.1 3.6 21 22 A E H X S+ 0 0 102 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.917 112.0 45.5 -58.9 -44.5 -26.3 16.4 0.7 22 23 A I H >< S+ 0 0 7 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.917 111.9 51.6 -66.8 -45.1 -29.4 14.7 2.1 23 24 A L H 3< S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 115.9 42.4 -56.7 -36.3 -28.7 15.9 5.7 24 25 A E H 3< S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.551 82.8 118.8 -91.6 -12.0 -28.3 19.5 4.4 25 26 A A X< - 0 0 30 -4,-1.0 3,-1.7 -3,-0.5 -3,-0.0 -0.378 61.5-140.7 -62.9 125.5 -31.3 19.6 2.0 26 27 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.866 101.6 53.2 -55.8 -37.4 -33.8 22.3 3.0 27 28 A D T 3 S- 0 0 139 1,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 0.565 125.1 -98.9 -73.9 -8.3 -36.7 20.1 2.1 28 29 A G < - 0 0 41 -3,-1.7 -3,-0.1 -6,-0.2 -1,-0.1 0.169 61.3-105.7 106.6 -15.0 -35.5 17.1 4.3 29 30 A G - 0 0 21 -5,-0.1 -7,-0.1 2,-0.0 -6,-0.0 0.140 45.7 -52.7 82.4 164.4 -33.9 15.2 1.4 30 31 A E - 0 0 34 1,-0.1 2,-0.3 -28,-0.1 -28,-0.2 -0.243 53.2-106.2 -71.3 154.9 -34.9 12.1 -0.6 31 32 A V E -a 2 0A 22 -30,-2.9 -28,-3.1 121,-0.0 2,-0.7 -0.664 27.4-135.8 -75.6 137.4 -35.8 8.8 0.9 32 33 A I E -aB 3 153A 0 121,-2.3 121,-2.5 -2,-0.3 2,-0.6 -0.908 25.3-172.3 -97.9 112.4 -33.0 6.2 0.3 33 34 A Y E +aB 4 152A 4 -30,-2.5 -28,-2.2 -2,-0.7 -27,-0.8 -0.922 14.6 168.0-117.9 105.8 -34.8 3.0 -0.7 34 35 A N E + B 0 151A 0 117,-3.2 117,-2.1 -2,-0.6 2,-0.4 -0.811 23.5 139.4-123.6 86.3 -32.6 -0.1 -1.0 35 36 A V - 0 0 3 -2,-0.5 2,-1.1 115,-0.2 -29,-0.1 -0.985 55.6-123.0-136.0 136.1 -35.0 -3.1 -1.4 36 37 A D > - 0 0 42 -2,-0.4 3,-1.0 1,-0.2 -2,-0.1 -0.716 27.2-175.0 -84.4 99.1 -34.8 -6.1 -3.6 37 38 A E T 3 S+ 0 0 110 -2,-1.1 -1,-0.2 1,-0.2 0, 0.0 0.585 78.8 55.0 -73.3 -11.9 -38.0 -5.9 -5.5 38 39 A N T 3 S+ 0 0 149 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.537 80.9 98.3 -98.7 -10.7 -37.5 -9.2 -7.3 39 40 A D < - 0 0 25 -3,-1.0 -3,-0.0 1,-0.1 0, 0.0 -0.718 54.2-167.5 -79.4 113.7 -37.0 -11.3 -4.1 40 41 A P + 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.552 48.1 114.4 -78.6 -7.9 -40.4 -13.0 -3.3 41 42 A R S S- 0 0 106 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.282 70.1-114.1 -68.0 147.0 -39.5 -14.2 0.2 42 43 A E - 0 0 93 1,-0.1 2,-0.3 2,-0.0 25,-0.3 -0.455 37.6 -99.6 -69.8 150.2 -41.3 -12.8 3.2 43 44 A Y B -h 174 0B 15 130,-0.7 132,-2.4 1,-0.2 133,-0.2 -0.599 21.9-157.0 -66.6 129.6 -39.2 -10.7 5.7 44 45 A D S S+ 0 0 22 23,-2.3 132,-0.5 -2,-0.3 2,-0.3 0.868 80.6 1.3 -70.6 -39.8 -38.1 -12.7 8.7 45 46 A A E -c 68 0A 0 22,-1.4 24,-1.2 130,-0.2 2,-0.5 -0.985 56.3-150.9-148.3 140.6 -37.7 -9.4 10.6 46 47 A I E -cd 69 177A 0 130,-1.8 132,-2.6 -2,-0.3 2,-0.5 -0.963 24.9-146.5-100.1 128.3 -38.2 -5.7 10.0 47 48 A F E -cd 70 178A 0 22,-3.4 24,-2.0 -2,-0.5 2,-1.0 -0.831 2.3-149.0 -94.9 124.4 -35.8 -3.7 12.1 48 49 A I E S+cd 71 179A 10 130,-2.4 132,-2.3 -2,-0.5 24,-0.2 -0.828 79.7 15.6 -91.5 98.8 -37.1 -0.3 13.4 49 50 A G - 0 0 7 22,-3.0 23,-0.2 -2,-1.0 132,-0.1 0.064 64.1-143.0 106.0 137.1 -33.8 1.5 13.5 50 51 A G + 0 0 0 26,-0.2 28,-2.9 4,-0.1 29,-0.3 -0.219 56.9 121.1-128.5 40.6 -30.5 0.7 12.0 51 52 A G B > S-i 78 0C 12 129,-0.6 4,-3.3 27,-0.3 5,-0.4 0.044 90.1 -55.2 -75.5-156.5 -28.1 1.8 14.7 52 53 A A H > S+ 0 0 15 26,-0.6 4,-2.2 1,-0.2 5,-0.4 0.907 141.9 41.0 -54.3 -46.8 -25.6 -0.6 16.3 53 54 A A H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.951 119.9 41.9 -67.3 -50.8 -28.3 -3.0 17.3 54 55 A G H > S+ 0 0 0 126,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.860 117.9 47.0 -66.2 -35.7 -30.4 -2.8 14.1 55 56 A R H X S+ 0 0 12 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.942 117.1 39.9 -76.1 -50.2 -27.4 -2.9 11.8 56 57 A F H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.4 5,-0.3 0.934 115.0 53.8 -63.0 -43.6 -25.6 -5.8 13.4 57 58 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.4 -2,-0.2 0.915 111.5 45.6 -52.5 -48.3 -28.8 -7.7 14.0 58 59 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.912 110.8 53.6 -62.7 -44.4 -29.6 -7.3 10.3 59 60 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.910 113.4 42.6 -58.1 -44.3 -26.0 -8.3 9.3 60 61 A Y H X S+ 0 0 21 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.909 113.0 51.6 -69.1 -44.0 -26.2 -11.5 11.3 61 62 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.3 3,-0.4 0.941 113.3 45.8 -58.1 -47.0 -29.8 -12.4 10.2 62 63 A R H ><5S+ 0 0 53 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.863 108.0 56.0 -65.4 -37.3 -28.7 -12.0 6.6 63 64 A A H 3<5S+ 0 0 23 -4,-1.9 977,-0.3 1,-0.3 -1,-0.2 0.804 103.4 56.8 -64.0 -29.0 -25.5 -14.0 7.1 64 65 A M T 3<5S- 0 0 54 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.308 125.8-103.5 -82.0 4.3 -27.8 -16.8 8.4 65 66 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.517 80.7 128.8 84.8 6.4 -29.7 -16.8 5.1 66 67 A G < - 0 0 1 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.368 58.2-113.6 -85.9 169.5 -32.8 -14.9 6.4 67 68 A R + 0 0 9 -25,-0.3 -23,-2.3 -2,-0.1 -22,-1.4 -0.922 36.6 174.8-110.5 134.5 -34.4 -11.7 4.9 68 69 A Q E -c 45 0A 0 -2,-0.5 2,-0.3 -25,-0.2 82,-0.3 -0.820 19.5-159.8-131.4 163.7 -34.4 -8.4 6.7 69 70 A L E -c 46 0A 1 -24,-1.2 -22,-3.4 -2,-0.3 2,-0.4 -0.957 9.6-157.2-142.8 129.5 -35.4 -4.8 6.2 70 71 A I E -ce 47 151A 0 80,-1.5 82,-2.1 -2,-0.3 2,-0.4 -0.860 4.7-167.7 -99.9 140.5 -34.1 -1.8 8.2 71 72 A V E +ce 48 152A 2 -24,-2.0 -22,-3.0 -2,-0.4 2,-0.4 -1.000 14.7 169.6-124.0 128.6 -36.0 1.4 8.5 72 73 A D E - e 0 153A 16 80,-2.1 83,-2.5 -2,-0.4 82,-0.7 -1.000 37.0-144.4-141.1 139.3 -34.2 4.4 9.9 73 74 A R S S+ 0 0 135 -2,-0.4 80,-0.1 81,-0.3 -1,-0.1 0.658 85.5 79.2 -77.4 -17.8 -35.1 8.1 10.0 74 75 A W S S- 0 0 64 2,-0.2 80,-1.9 81,-0.2 81,-0.3 -0.677 85.7-128.3 -83.7 149.7 -31.5 9.1 9.5 75 76 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 78,-0.1 0.237 91.8 57.5 -78.9 8.8 -30.0 8.9 5.9 76 77 A F S S- 0 0 0 -57,-0.0 3,-0.3 63,-0.0 2,-0.2 -0.934 79.5-125.3-134.6 159.9 -27.2 6.8 7.3 77 78 A L S S+ 0 0 0 59,-0.4 -26,-0.2 -2,-0.3 63,-0.2 -0.678 80.4 64.5 -97.4 159.0 -26.8 3.5 9.2 78 79 A G B > S-i 51 0C 6 -28,-2.9 3,-0.8 -2,-0.2 -26,-0.6 0.122 80.9-145.1 110.8 -17.9 -24.9 3.1 12.5 79 80 A G T 3> - 0 0 6 -29,-0.3 4,-1.2 -3,-0.3 5,-0.2 -0.235 61.2 -10.0 69.0-142.7 -27.2 5.3 14.6 80 81 A S H 3>>S+ 0 0 50 1,-0.2 4,-3.3 2,-0.2 5,-2.6 0.811 119.7 75.7 -65.5 -30.7 -26.0 7.5 17.4 81 82 A C H <45S+ 0 0 6 -3,-0.8 6,-2.3 1,-0.2 4,-0.3 0.905 106.4 26.1 -55.1 -58.9 -22.5 6.1 17.5 82 83 A P H 45S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.806 127.0 48.0 -72.9 -28.4 -21.0 7.8 14.4 83 84 A H H <5S- 0 0 4 -4,-1.2 -2,-0.2 4,-0.1 -3,-0.2 0.873 136.1 -21.9 -85.8 -37.3 -23.3 10.8 14.5 84 85 A N T <5S+ 0 0 11 -4,-3.3 -3,-0.2 -5,-0.2 -4,-0.1 0.399 119.1 54.6-155.3 -0.8 -23.3 12.0 18.0 85 86 A A S > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.826 124.2 54.1 -62.1 -36.5 -19.0 7.1 20.7 87 88 A V H > S+ 0 0 12 -6,-2.3 4,-2.1 2,-0.2 3,-0.2 0.975 114.3 37.0 -66.7 -54.7 -17.2 8.6 17.6 88 89 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.911 113.7 60.1 -62.5 -38.6 -17.2 12.3 18.6 89 90 A H H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.911 108.3 44.4 -50.9 -44.6 -16.7 11.2 22.2 90 91 A H H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.866 110.0 53.2 -74.9 -36.6 -13.4 9.5 21.1 91 92 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.951 112.5 45.9 -58.1 -46.1 -12.3 12.4 19.0 92 93 A F H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.897 112.0 51.0 -65.8 -38.9 -12.8 14.7 22.0 93 94 A S H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.864 106.5 53.8 -67.0 -36.9 -11.0 12.3 24.4 94 95 A D H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.901 111.1 47.8 -56.7 -43.9 -8.0 12.1 21.9 95 96 A C H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.937 109.5 52.3 -63.0 -49.6 -7.9 15.9 22.2 96 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.899 111.5 46.6 -51.5 -49.7 -8.1 15.8 26.0 97 98 A A H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.902 115.6 44.1 -59.7 -44.9 -5.1 13.4 26.3 98 99 A E H X S+ 0 0 7 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.860 112.4 53.7 -71.9 -36.2 -2.9 15.3 23.8 99 100 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.917 106.4 50.9 -66.4 -45.2 -3.8 18.6 25.4 100 101 A M H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.926 112.6 48.2 -53.9 -45.1 -2.8 17.3 28.9 101 102 A L H X S+ 0 0 8 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.975 113.3 47.0 -59.2 -55.6 0.5 16.2 27.4 102 103 A A H < S+ 0 0 4 -4,-3.0 12,-0.2 1,-0.2 -2,-0.2 0.890 114.7 46.1 -52.1 -47.3 1.0 19.6 25.7 103 104 A R H >< S+ 0 0 59 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.837 111.2 52.3 -67.4 -34.2 0.1 21.5 28.9 104 105 A T H 3< S+ 0 0 32 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.895 119.3 35.0 -67.1 -39.8 2.3 19.3 31.1 105 106 A F T >< S+ 0 0 1 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 0.058 84.4 160.9-106.4 27.1 5.3 19.9 28.8 106 107 A S T < S+ 0 0 30 -3,-0.7 7,-0.3 1,-0.3 3,-0.1 -0.206 72.3 7.9 -48.5 121.1 4.4 23.5 27.9 107 108 A G T 3 S+ 0 0 57 4,-0.8 2,-0.4 5,-0.7 -1,-0.3 0.695 104.6 112.6 75.8 21.5 7.5 25.3 26.6 108 109 A Q S X S- 0 0 73 -3,-2.1 3,-2.3 4,-0.2 -1,-0.3 -0.958 82.6 -34.3-121.4 142.8 9.6 22.2 26.4 109 110 A Y T 3 S- 0 0 39 -2,-0.4 -2,-0.0 1,-0.3 537,-0.0 -0.170 127.6 -15.3 53.7-125.8 10.9 20.5 23.2 110 111 A W T 3 S+ 0 0 10 2,-0.0 -1,-0.3 530,-0.0 530,-0.0 0.508 107.8 117.6 -82.0 -3.5 8.4 20.8 20.3 111 112 A F < - 0 0 17 -3,-2.3 -4,-0.8 -6,-0.2 -3,-0.2 -0.516 62.7-130.4 -77.8 123.2 5.6 21.8 22.7 112 113 A P - 0 0 28 0, 0.0 -5,-0.7 0, 0.0 2,-0.5 -0.186 35.7 -91.3 -56.7 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0.878 117.1 53.5 -73.5 -31.7 -17.1 -6.9 15.9 1032 510 B L H X S+ 0 0 10 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.828 109.0 50.8 -72.7 -29.6 -15.9 -7.5 12.4 1033 511 B S H >X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 3,-1.2 0.933 106.2 55.4 -66.7 -43.3 -15.8 -11.2 13.2 1034 512 B R H 3X S+ 0 0 10 -4,-2.0 4,-0.6 1,-0.3 -2,-0.2 0.844 101.0 59.2 -61.2 -36.3 -19.4 -11.0 14.4 1035 513 B L H 3< S+ 0 0 3 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.767 118.7 28.8 -61.5 -29.7 -20.4 -9.5 11.0 1036 514 B R H X< S+ 0 0 23 -3,-1.2 3,-1.4 -4,-0.7 -2,-0.2 0.602 99.5 83.2-104.4 -17.0 -19.2 -12.6 9.2 1037 515 B A H 3< S+ 0 0 6 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.672 74.8 74.0 -72.4 -19.8 -19.7 -15.4 11.8 1038 516 B G T 3< S+ 0 0 13 -4,-0.6 2,-0.4 -979,-0.0 -1,-0.3 0.642 83.8 80.8 -66.4 -15.2 -23.4 -16.0 11.1 1039 517 B S S < S- 0 0 28 -3,-1.4 -975,-0.1 1,-0.1 3,-0.1 -0.774 70.2-147.5 -93.6 139.7 -22.6 -17.8 7.8 1040 518 B K S S+ 0 0 187 -2,-0.4 2,-0.7 -977,-0.3 -1,-0.1 0.829 98.3 53.2 -67.7 -32.2 -21.5 -21.5 7.7 1041 519 B N S S- 0 0 122 -3,-0.1 -1,-0.2 2,-0.0 -59,-0.1 -0.899 95.3-136.4-106.5 108.0 -19.4 -20.5 4.6 1042 520 B L - 0 0 21 -2,-0.7 2,-0.4 -61,-0.4 -5,-0.1 -0.232 15.8-161.6 -69.0 149.3 -17.2 -17.5 5.6 1043 521 B V - 0 0 77 -7,-0.2 -106,-0.1 -4,-0.1 -4,-0.1 -0.995 24.6-110.9-130.8 132.9 -16.7 -14.5 3.3 1044 522 B S 0 0 47 -2,-0.4 -105,-0.2 -108,-0.1 -107,-0.0 -0.203 360.0 360.0 -56.3 153.7 -13.9 -12.0 3.6 1045 523 B L 0 0 10 -107,-2.2 -105,-1.9 -898,-0.0 -9,-0.0 -0.993 360.0 360.0-125.1 360.0 -14.7 -8.4 4.8