==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-05 1ZZE . COMPND 2 MOLECULE: ALDEHYDE REDUCTASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: SPORIDIOBOLUS SALMONICOLOR; . AUTHOR S.KAMITORI,A.IGUCHI,A.OHTAKI,M.YAMADA,K.KITA . 684 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 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 . 48 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 0 8 2 2 2 2 0 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 7 5 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 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 A 0 0 89 0, 0.0 34,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-127.7 24.9 -25.2 -9.1 2 3 A K + 0 0 149 1,-0.2 2,-0.7 32,-0.1 32,-0.0 0.896 360.0 59.1 -54.6 -42.2 23.6 -25.6 -12.6 3 4 A I S > S- 0 0 19 31,-0.2 3,-1.1 318,-0.0 2,-0.2 -0.816 82.6-146.6 -98.5 110.0 23.7 -21.8 -13.0 4 5 A D T 3 S+ 0 0 124 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 -0.488 80.7 7.3 -74.7 139.4 27.1 -20.3 -12.5 5 6 A N T 3 S- 0 0 119 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 0.753 85.8-179.1 61.4 26.8 27.3 -16.8 -11.0 6 7 A A < - 0 0 30 -3,-1.1 256,-0.2 1,-0.2 -1,-0.2 -0.330 29.3-139.8 -58.3 134.9 23.5 -16.9 -10.3 7 8 A V S S+ 0 0 53 254,-3.0 -1,-0.2 1,-0.1 254,-0.1 0.800 92.0 56.8 -67.4 -29.7 22.4 -13.7 -8.7 8 9 A L S S- 0 0 1 253,-0.2 3,-0.1 4,-0.1 4,-0.1 -0.918 96.4-116.8-106.8 125.4 20.1 -15.7 -6.4 9 10 A P > - 0 0 90 0, 0.0 3,-2.0 0, 0.0 76,-0.1 -0.095 44.1 -78.5 -56.0 154.9 21.8 -18.4 -4.2 10 11 A E T 3 S+ 0 0 138 1,-0.3 25,-0.1 -4,-0.1 26,-0.1 -0.221 118.0 15.7 -54.5 142.5 20.9 -22.0 -4.7 11 12 A G T 3 S+ 0 0 30 23,-0.3 -1,-0.3 1,-0.2 26,-0.2 0.490 89.4 160.5 71.1 2.6 17.6 -23.0 -3.0 12 13 A S < - 0 0 19 -3,-2.0 25,-2.0 24,-0.1 2,-0.4 -0.129 43.9-108.6 -55.2 152.8 16.5 -19.4 -2.7 13 14 A L E -a 37 0A 34 70,-0.4 72,-2.8 23,-0.2 73,-1.4 -0.719 32.8-167.6 -88.5 131.0 12.8 -18.6 -2.2 14 15 A V E -ab 38 86A 1 23,-2.5 25,-2.0 -2,-0.4 2,-0.6 -0.979 14.0-142.1-122.2 127.9 11.0 -17.1 -5.1 15 16 A L E -ab 39 87A 2 71,-2.9 73,-3.0 -2,-0.5 2,-0.6 -0.791 17.4-171.1 -88.0 124.2 7.5 -15.6 -4.8 16 17 A V E > -ab 40 88A 0 23,-2.4 25,-2.2 -2,-0.6 3,-0.7 -0.940 10.9-150.0-119.1 108.1 5.4 -16.3 -7.9 17 18 A T E 3 S+ b 0 89A 1 71,-2.1 73,-0.8 -2,-0.6 25,-0.1 -0.551 79.9 13.7 -79.3 140.2 2.1 -14.5 -7.9 18 19 A G T > S+ 0 0 9 -2,-0.2 3,-2.0 72,-0.2 -1,-0.2 0.898 75.5 168.3 64.3 40.7 -0.9 -16.1 -9.7 19 20 A A T < + 0 0 0 22,-1.9 23,-0.2 -3,-0.7 9,-0.1 0.592 64.9 68.5 -61.6 -14.4 1.0 -19.4 -9.8 20 21 A N T 3 S+ 0 0 37 21,-0.6 -1,-0.3 4,-0.1 194,-0.1 0.576 79.1 104.0 -83.7 -8.3 -2.1 -21.3 -10.9 21 22 A G S <> S- 0 0 29 -3,-2.0 4,-2.5 1,-0.1 5,-0.1 -0.261 83.5-114.0 -69.2 161.1 -2.1 -19.6 -14.2 22 23 A F H > S+ 0 0 12 2,-0.2 4,-1.1 1,-0.2 191,-0.1 0.982 115.3 35.7 -59.6 -61.5 -0.9 -21.5 -17.3 23 24 A V H >> S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.943 117.6 54.3 -57.7 -48.5 2.2 -19.4 -18.0 24 25 A A H 3> S+ 0 0 1 1,-0.3 4,-2.6 -6,-0.2 3,-0.2 0.892 102.0 57.4 -53.6 -44.2 2.9 -19.0 -14.3 25 26 A S H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.795 106.1 49.7 -60.8 -28.8 2.8 -22.7 -13.7 26 27 A H H <>S+ 0 0 1 -4,-1.9 5,-2.0 2,-0.2 3,-0.7 0.969 112.7 45.4 -65.6 -51.5 12.2 -22.8 -10.9 32 33 A L H ><5S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.895 109.1 56.8 -57.9 -41.7 11.5 -26.0 -9.0 33 34 A E H 3<5S+ 0 0 97 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.820 106.2 51.5 -59.8 -31.3 13.4 -28.0 -11.6 34 35 A H T <<5S- 0 0 33 -4,-1.2 -23,-0.3 -3,-0.7 -1,-0.3 0.158 124.7-100.0 -93.8 17.9 16.4 -25.8 -10.9 35 36 A G T < 5S+ 0 0 31 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.445 77.1 135.6 83.0 0.4 16.4 -26.3 -7.2 36 37 A Y < - 0 0 10 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.537 53.0-124.6 -83.5 148.8 14.7 -23.0 -6.2 37 38 A K E -a 13 0A 95 -25,-2.0 -23,-2.5 -26,-0.2 2,-0.4 -0.709 27.9-154.8 -90.0 144.9 11.9 -23.0 -3.6 38 39 A V E -ac 14 63A 2 24,-2.9 26,-2.7 -2,-0.3 2,-0.6 -0.972 21.3-169.2-130.7 136.4 8.6 -21.5 -4.6 39 40 A R E -ac 15 64A 44 -25,-2.0 -23,-2.4 -2,-0.4 2,-0.5 -0.974 24.2-165.0-115.6 109.9 5.7 -19.9 -2.8 40 41 A G E -ac 16 65A 0 24,-2.2 26,-3.1 -2,-0.6 2,-0.3 -0.861 4.8-148.2-105.1 134.2 2.9 -19.5 -5.3 41 42 A T E + c 0 66A 3 -25,-2.2 -22,-1.9 -2,-0.5 -21,-0.6 -0.672 20.6 164.9 -99.2 153.2 -0.1 -17.3 -4.8 42 43 A A E - c 0 67A 3 24,-1.3 26,-2.5 -2,-0.3 6,-0.1 -0.951 51.8-103.9-155.2 159.5 -3.7 -17.8 -6.0 43 44 A R S S+ 0 0 127 -2,-0.3 2,-0.3 24,-0.2 24,-0.1 0.628 108.4 13.8 -66.5 -10.6 -7.0 -16.2 -5.1 44 45 A S S S- 0 0 29 22,-0.1 4,-0.5 1,-0.1 3,-0.2 -0.976 70.6-125.8-159.7 150.9 -7.8 -19.5 -3.3 45 46 A A S > S+ 0 0 51 -2,-0.3 3,-1.6 1,-0.2 4,-0.5 0.890 111.1 60.6 -66.8 -37.3 -5.9 -22.5 -2.0 46 47 A S G > S+ 0 0 92 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.852 94.8 62.3 -58.2 -36.1 -8.3 -24.7 -3.9 47 48 A K G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.727 110.4 40.4 -62.7 -21.5 -7.3 -23.1 -7.2 48 49 A L G <> S+ 0 0 0 -3,-1.6 4,-2.9 -4,-0.5 -1,-0.3 0.387 87.2 101.0-106.4 1.0 -3.8 -24.4 -6.6 49 50 A A H <> S+ 0 0 50 -3,-1.2 4,-2.3 -4,-0.5 5,-0.2 0.919 82.9 44.4 -51.9 -56.4 -4.8 -27.9 -5.2 50 51 A N H > S+ 0 0 81 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.919 117.5 45.0 -57.7 -47.2 -4.2 -29.9 -8.4 51 52 A L H > S+ 0 0 1 -4,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.866 110.3 54.7 -66.6 -36.4 -0.8 -28.2 -9.1 52 53 A Q H X S+ 0 0 33 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.921 108.0 50.5 -61.8 -42.4 0.2 -28.5 -5.5 53 54 A K H X S+ 0 0 146 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.925 111.5 48.5 -60.4 -46.1 -0.4 -32.2 -5.8 54 55 A R H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.938 114.5 43.9 -60.1 -50.0 1.7 -32.4 -8.9 55 56 A W H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 7,-0.3 0.782 107.1 59.1 -69.9 -27.1 4.6 -30.5 -7.5 56 57 A D H < S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.848 111.3 43.2 -68.8 -32.5 4.5 -32.4 -4.2 57 58 A A H < S+ 0 0 67 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.930 123.6 34.1 -77.5 -47.6 5.1 -35.6 -6.1 58 59 A K H < S+ 0 0 98 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.876 136.3 20.3 -76.2 -40.6 7.8 -34.2 -8.5 59 60 A Y S >X S- 0 0 25 -4,-2.7 3,-2.0 -5,-0.2 4,-0.5 -0.669 85.4-148.8-132.3 76.8 9.5 -31.8 -6.1 60 61 A P T 34 S- 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.201 77.7 -6.1 -51.5 123.7 8.7 -32.8 -2.5 61 62 A G T 34 S+ 0 0 61 2,-0.2 -5,-0.1 1,-0.1 3,-0.1 0.679 105.1 105.5 64.9 21.4 8.5 -29.9 -0.2 62 63 A R T <4 S+ 0 0 78 -3,-2.0 -24,-2.9 -7,-0.3 2,-0.4 0.660 70.5 56.2-102.0 -22.2 9.7 -27.4 -2.8 63 64 A F E < -c 38 0A 9 -4,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.927 61.2-169.1-116.6 139.0 6.4 -25.6 -3.5 64 65 A E E -c 39 0A 105 -26,-2.7 -24,-2.2 -2,-0.4 2,-0.4 -0.989 19.6-131.9-128.9 128.8 4.2 -23.9 -1.0 65 66 A T E -c 40 0A 37 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.632 25.7-173.7 -79.7 131.0 0.6 -22.6 -1.7 66 67 A A E -c 41 0A 8 -26,-3.1 -24,-1.3 -2,-0.4 2,-0.5 -0.989 16.6-134.7-127.8 135.4 -0.0 -19.1 -0.5 67 68 A V E +c 42 0A 72 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.773 28.7 163.5 -96.7 130.1 -3.4 -17.4 -0.6 68 69 A V + 0 0 13 -26,-2.5 3,-0.3 -2,-0.5 -24,-0.1 -0.806 5.8 176.8-141.6 92.1 -3.9 -13.8 -1.9 69 70 A E S S+ 0 0 152 -2,-0.3 2,-0.5 1,-0.2 -26,-0.1 0.839 76.2 34.0 -68.8 -35.0 -7.6 -13.2 -2.6 70 71 A D > - 0 0 79 1,-0.1 3,-1.2 6,-0.1 -1,-0.2 -0.870 60.7-173.9-127.1 98.1 -7.2 -9.5 -3.6 71 72 A M T 3 S+ 0 0 24 -2,-0.5 -1,-0.1 -3,-0.3 42,-0.1 0.573 89.1 54.8 -67.0 -6.8 -3.9 -8.6 -5.4 72 73 A L T 3 S+ 0 0 69 2,-0.1 -1,-0.3 41,-0.1 3,-0.1 0.649 81.7 113.0 -97.7 -19.3 -4.9 -5.0 -5.2 73 74 A K S X S- 0 0 134 -3,-1.2 3,-2.1 1,-0.1 4,-0.2 -0.264 78.8-106.1 -59.1 133.4 -5.4 -4.9 -1.4 74 75 A Q T 3 S+ 0 0 66 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.406 107.3 13.6 -61.2 129.4 -3.0 -2.8 0.5 75 76 A G T > S+ 0 0 21 38,-0.1 3,-1.1 -2,-0.1 4,-0.4 0.562 83.1 141.4 79.5 10.3 -0.6 -5.1 2.3 76 77 A A T < S+ 0 0 23 -3,-2.1 4,-0.3 1,-0.2 3,-0.2 0.769 75.7 35.4 -55.2 -30.4 -1.7 -8.1 0.3 77 78 A Y T 3> S+ 0 0 4 -4,-0.2 4,-2.4 36,-0.2 5,-0.3 0.445 81.8 108.3-106.0 -1.0 1.9 -9.5 0.0 78 79 A D T <4 S+ 0 0 31 -3,-1.1 4,-0.3 1,-0.2 -1,-0.1 0.848 91.7 31.1 -43.5 -44.8 3.3 -8.5 3.5 79 80 A E T >4 S+ 0 0 111 -4,-0.4 3,-1.0 -3,-0.2 -1,-0.2 0.929 118.9 48.6 -84.5 -48.9 3.2 -12.2 4.6 80 81 A V T 34 S+ 0 0 19 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.730 108.4 55.7 -66.8 -20.9 3.8 -14.2 1.5 81 82 A I T >< S+ 0 0 4 -4,-2.4 3,-2.4 2,-0.1 -1,-0.2 0.638 76.7 123.8 -86.8 -13.0 6.8 -12.1 0.4 82 83 A K T < S+ 0 0 76 -3,-1.0 3,-0.1 -5,-0.3 -3,-0.0 -0.227 84.8 2.0 -53.2 124.4 8.7 -12.6 3.7 83 84 A G T 3 S+ 0 0 57 1,-0.3 -70,-0.4 2,-0.0 -1,-0.3 0.467 93.1 144.8 78.5 0.8 12.2 -14.1 3.1 84 85 A A < - 0 0 0 -3,-2.4 -1,-0.3 1,-0.1 -70,-0.2 -0.531 33.3-170.9 -75.1 137.9 11.8 -14.1 -0.7 85 86 A A S S+ 0 0 16 -72,-2.8 40,-2.8 -2,-0.2 41,-1.4 0.619 74.5 26.6 -99.1 -20.3 14.9 -13.3 -2.7 86 87 A G E -bd 14 126A 0 -73,-1.4 -71,-2.9 38,-0.2 2,-0.4 -0.972 64.1-157.1-142.1 156.2 13.0 -13.1 -6.0 87 88 A V E -bd 15 127A 2 39,-1.8 41,-2.8 -2,-0.3 2,-0.5 -1.000 4.0-168.3-137.5 136.7 9.6 -12.2 -7.2 88 89 A A E -bd 16 128A 0 -73,-3.0 -71,-2.1 -2,-0.4 2,-1.1 -0.958 13.9-155.9-123.5 106.2 7.8 -13.1 -10.4 89 90 A H E +bd 17 129A 4 39,-2.1 41,-2.1 -2,-0.5 -71,-0.1 -0.742 39.6 139.1 -88.8 101.9 4.6 -11.1 -10.8 90 91 A I + 0 0 22 -2,-1.1 -1,-0.2 -73,-0.8 -72,-0.2 0.439 33.5 112.9-118.8 -7.9 2.4 -13.1 -13.1 91 92 A A - 0 0 17 -3,-0.2 2,-0.3 19,-0.1 -73,-0.1 -0.355 43.6-173.5 -68.3 148.0 -1.0 -12.6 -11.3 92 93 A S - 0 0 83 -2,-0.0 2,-0.2 18,-0.0 15,-0.1 -0.998 28.0-105.1-145.7 143.0 -3.6 -10.6 -13.2 93 94 A V - 0 0 54 -2,-0.3 2,-0.9 10,-0.1 14,-0.0 -0.438 34.5-119.7 -69.2 136.4 -7.1 -9.3 -12.2 94 95 A V + 0 0 96 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.679 63.1 123.3 -81.0 106.3 -10.0 -11.1 -13.7 95 96 A S + 0 0 48 -2,-0.9 -2,-0.0 1,-0.0 0, 0.0 -0.755 25.0 168.4-167.5 115.1 -12.0 -8.6 -15.8 96 97 A F + 0 0 156 -2,-0.2 2,-0.4 2,-0.0 7,-0.1 -0.012 41.1 125.6-119.3 27.4 -12.9 -8.8 -19.5 97 98 A S - 0 0 64 2,-0.1 2,-0.4 1,-0.1 5,-0.0 -0.752 67.2-124.4 -90.3 132.6 -15.3 -5.9 -19.5 98 99 A N + 0 0 46 -2,-0.4 2,-0.6 5,-0.1 -1,-0.1 0.245 69.7 124.1 -62.2 14.7 -14.6 -3.2 -22.1 99 100 A K > - 0 0 133 -2,-0.4 4,-1.3 1,-0.2 5,-0.3 -0.692 52.8-151.2 -80.3 119.8 -14.5 -0.4 -19.6 100 101 A Y H >> S+ 0 0 31 -2,-0.6 4,-3.5 2,-0.2 3,-2.1 0.976 92.9 35.1 -52.9 -75.2 -11.1 1.4 -19.9 101 102 A D H 3> S+ 0 0 116 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.857 116.3 59.9 -48.5 -38.2 -10.5 2.7 -16.4 102 103 A E H 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.740 119.3 25.6 -64.5 -25.2 -12.2 -0.5 -15.2 103 104 A V H S+ 0 0 26 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.868 110.5 55.9 -61.4 -36.5 -6.5 -2.7 -11.9 107 108 A A H X S+ 0 0 21 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.942 114.1 38.5 -60.5 -48.1 -3.8 -3.8 -14.3 108 109 A I H X S+ 0 0 42 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.930 116.3 54.4 -67.2 -44.5 -1.6 -0.9 -13.2 109 110 A G H X S+ 0 0 27 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.902 107.9 46.9 -56.1 -48.1 -2.7 -1.2 -9.6 110 111 A G H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.877 113.0 50.2 -64.5 -37.9 -1.8 -4.9 -9.3 111 112 A T H X S+ 0 0 12 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.920 113.3 43.9 -68.0 -43.2 1.6 -4.3 -10.8 112 113 A L H X S+ 0 0 29 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.861 108.9 57.8 -70.7 -33.2 2.5 -1.4 -8.6 113 114 A N H X S+ 0 0 29 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.899 110.4 44.2 -62.9 -40.2 1.2 -3.2 -5.5 114 115 A A H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.893 114.4 49.2 -70.9 -41.0 3.6 -6.1 -6.2 115 116 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.889 110.2 50.5 -66.2 -39.7 6.5 -3.7 -7.0 116 117 A R H X S+ 0 0 72 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.878 108.5 52.7 -66.5 -36.9 5.9 -1.6 -3.8 117 118 A A H X S+ 0 0 11 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.957 111.4 46.6 -62.5 -47.2 5.9 -4.8 -1.7 118 119 A A H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 6,-0.3 0.896 110.0 53.1 -61.5 -41.0 9.2 -5.8 -3.2 119 120 A A H 3< S+ 0 0 17 -4,-2.5 78,-0.3 1,-0.3 -1,-0.2 0.864 109.7 49.3 -62.7 -33.9 10.6 -2.3 -2.7 120 121 A A H 3< S+ 0 0 22 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.536 100.2 76.1 -81.9 -6.6 9.7 -2.6 1.0 121 122 A T X< - 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