==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-NOV-05 2EW8 . COMPND 2 MOLECULE: (S)-1-PHENYLETHANOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOARCUS SP. EBN1; . AUTHOR H.W.HOEFFKEN . 914 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 668 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 14.4 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 . 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 . 55 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 3.0 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 0 0 0 0 1 3 2 6 4 0 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 8 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 3 A Q > 0 0 114 0, 0.0 3,-1.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 62.9 -9.8 -13.9 88.0 2 4 A R T 3 + 0 0 64 1,-0.3 209,-0.2 28,-0.0 27,-0.1 0.755 360.0 44.2 -64.6 -25.6 -9.6 -10.6 89.9 3 5 A L T > S+ 0 0 1 25,-2.0 3,-2.0 22,-0.2 -1,-0.3 0.078 83.0 159.5-107.3 23.4 -13.2 -10.8 90.9 4 6 A K T < + 0 0 124 -3,-1.5 26,-0.2 1,-0.3 25,-0.1 -0.164 69.5 0.6 -50.0 130.9 -13.2 -14.5 91.8 5 7 A D T 3 S+ 0 0 106 24,-1.1 -1,-0.3 1,-0.2 2,-0.3 0.667 99.8 132.1 62.0 21.0 -16.0 -15.5 94.1 6 8 A K < - 0 0 31 -3,-2.0 25,-2.7 23,-0.3 2,-0.5 -0.678 51.8-139.4 -99.8 156.6 -17.5 -12.0 94.2 7 9 A L E -a 31 0A 1 -2,-0.3 75,-2.1 23,-0.2 76,-1.9 -0.978 23.0-168.7-114.7 121.4 -21.2 -11.1 93.7 8 10 A A E -ab 32 83A 0 23,-2.4 25,-2.0 -2,-0.5 2,-0.5 -0.924 10.8-152.8-115.8 138.9 -21.7 -8.0 91.7 9 11 A V E -ab 33 84A 0 74,-3.1 76,-3.1 -2,-0.4 2,-0.5 -0.924 10.6-173.2-107.9 130.1 -24.9 -6.1 91.2 10 12 A I E > -ab 34 85A 0 23,-2.4 25,-1.5 -2,-0.5 3,-1.0 -0.956 12.2-150.6-126.4 112.3 -25.4 -4.1 88.0 11 13 A T E 3 S+a 35 0A 0 74,-2.2 76,-0.4 -2,-0.5 25,-0.2 -0.586 86.6 15.1 -79.9 142.0 -28.5 -1.9 87.7 12 14 A G T > S+ 0 0 13 23,-3.4 3,-0.6 -2,-0.2 6,-0.4 0.855 86.8 144.0 63.7 33.8 -29.7 -1.4 84.1 13 15 A G T < + 0 0 0 -3,-1.0 23,-0.1 22,-0.7 -1,-0.1 0.275 38.0 90.0 -90.9 13.2 -27.5 -4.3 83.2 14 16 A A T 3 S+ 0 0 0 21,-0.2 29,-0.3 24,-0.1 2,-0.3 0.810 98.2 7.4 -76.8 -29.1 -29.8 -5.9 80.5 15 17 A N S X> S+ 0 0 84 -3,-0.6 4,-1.5 27,-0.1 3,-0.7 -0.862 104.7 4.7-144.6 177.0 -28.2 -3.8 77.7 16 18 A G H 3> S- 0 0 45 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.061 119.7 -8.6 50.1-138.8 -25.5 -1.4 76.6 17 19 A I H 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 134.1 58.6 -58.6 -40.9 -22.7 -0.5 79.0 18 20 A G H <> S+ 0 0 1 -3,-0.7 4,-2.2 -6,-0.4 -5,-0.2 0.946 109.8 41.8 -54.4 -53.3 -24.5 -2.1 81.9 19 21 A R H X S+ 0 0 72 -4,-1.5 4,-3.0 -7,-0.3 5,-0.3 0.902 111.5 55.7 -61.6 -44.1 -24.5 -5.5 80.2 20 22 A A H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.910 109.8 46.7 -56.4 -43.3 -20.9 -5.1 78.9 21 23 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.919 111.0 52.6 -65.5 -42.1 -19.8 -4.5 82.5 22 24 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 111.1 45.6 -59.6 -47.4 -21.8 -7.5 83.7 23 25 A E H X S+ 0 0 48 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.910 112.9 50.1 -64.3 -41.7 -20.2 -9.8 81.2 24 26 A R H X S+ 0 0 44 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.926 109.3 50.9 -62.8 -44.1 -16.7 -8.5 81.9 25 27 A F H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.894 109.6 51.7 -60.4 -37.0 -17.2 -9.0 85.6 26 28 A A H ><5S+ 0 0 2 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.901 106.8 52.8 -64.6 -41.3 -18.3 -12.5 84.9 27 29 A V H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.866 106.0 54.7 -60.5 -36.6 -15.1 -13.0 82.8 28 30 A E T 3<5S- 0 0 24 -4,-2.0 -25,-2.0 -5,-0.1 -1,-0.3 0.371 131.6 -93.9 -79.2 3.0 -13.2 -11.8 85.8 29 31 A G T < 5S+ 0 0 0 -3,-1.7 -24,-1.1 1,-0.3 -23,-0.3 0.487 79.8 133.5 101.4 3.3 -14.9 -14.5 88.0 30 32 A A < - 0 0 0 -5,-2.6 -1,-0.3 -26,-0.2 2,-0.2 -0.605 50.7-130.2 -92.6 149.1 -17.9 -12.7 89.5 31 33 A D E -a 7 0A 27 -25,-2.7 -23,-2.4 -2,-0.2 2,-0.4 -0.599 33.1-128.0 -86.2 157.3 -21.4 -14.0 89.7 32 34 A I E -ac 8 54A 0 21,-2.8 23,-2.0 -2,-0.2 2,-0.4 -0.882 26.2-176.7-121.8 145.5 -24.1 -11.5 88.5 33 35 A A E -ac 9 55A 0 -25,-2.0 -23,-2.4 -2,-0.4 2,-0.4 -0.985 18.3-163.9-133.0 116.7 -27.3 -9.9 89.8 34 36 A I E -ac 10 56A 0 21,-3.5 23,-3.1 -2,-0.4 2,-0.5 -0.880 8.6-165.0-109.3 135.2 -29.1 -7.6 87.4 35 37 A A E +ac 11 57A 0 -25,-1.5 -23,-3.4 -2,-0.4 -22,-0.7 -0.980 34.2 129.6-116.6 123.1 -31.8 -5.1 88.3 36 38 A D E - c 0 58A 30 21,-2.0 23,-2.7 -2,-0.5 4,-0.1 -0.986 63.8-116.9-166.3 164.0 -33.7 -3.8 85.3 37 39 A L S S+ 0 0 103 -2,-0.3 21,-0.1 21,-0.3 23,-0.1 0.703 99.9 50.3 -81.0 -21.9 -37.2 -3.1 83.9 38 40 A V S S- 0 0 64 21,-0.1 21,-0.1 19,-0.1 19,-0.1 -0.776 93.8 -96.4-116.6 161.5 -36.6 -5.5 81.0 39 41 A P - 0 0 75 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.318 21.8-146.8 -71.3 157.0 -35.3 -9.1 80.8 40 42 A A > + 0 0 0 1,-0.1 4,-3.4 2,-0.1 5,-0.2 -0.436 39.5 146.8-125.2 59.0 -31.6 -9.9 80.1 41 43 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.910 77.8 48.8 -58.9 -45.4 -31.7 -13.2 78.1 42 44 A E H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.908 115.4 45.1 -62.4 -41.9 -28.6 -12.2 76.0 43 45 A A H > S+ 0 0 0 -29,-0.3 4,-2.6 2,-0.2 5,-0.2 0.949 112.8 49.4 -66.7 -50.5 -26.8 -11.2 79.2 44 46 A E H X S+ 0 0 39 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.870 110.4 52.0 -57.5 -40.0 -27.8 -14.3 81.1 45 47 A A H X S+ 0 0 55 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.971 111.4 44.9 -61.9 -54.8 -26.8 -16.6 78.3 46 48 A A H X S+ 0 0 25 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.894 115.2 48.6 -56.9 -43.2 -23.3 -15.1 78.0 47 49 A I H ><>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 3,-0.6 0.921 112.2 46.2 -66.4 -45.0 -22.7 -15.2 81.7 48 50 A R H ><5S+ 0 0 137 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.846 109.5 57.4 -65.4 -30.8 -23.9 -18.8 82.2 49 51 A N H 3<5S+ 0 0 144 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.758 99.9 57.9 -69.3 -24.6 -21.7 -19.6 79.2 50 52 A L T <<5S- 0 0 77 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.396 124.7-106.3 -84.7 3.1 -18.8 -18.1 81.1 51 53 A G T < 5S+ 0 0 60 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.627 80.5 127.8 81.9 14.9 -19.5 -20.6 83.9 52 54 A R < - 0 0 64 -5,-2.1 2,-0.3 -22,-0.0 -1,-0.3 -0.667 60.4-115.5-105.9 159.7 -21.0 -18.0 86.2 53 55 A R - 0 0 136 -2,-0.2 -21,-2.8 -3,-0.1 2,-0.3 -0.681 34.3-172.5 -89.8 144.7 -24.2 -17.7 88.1 54 56 A V E -c 32 0A 24 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.999 15.0-171.4-143.5 143.9 -26.7 -15.0 87.1 55 57 A L E -c 33 0A 33 -23,-2.0 -21,-3.5 -2,-0.3 2,-0.5 -1.000 6.0-165.5-133.5 131.8 -29.9 -13.5 88.5 56 58 A T E -c 34 0A 28 -2,-0.4 2,-0.5 -23,-0.2 -21,-0.2 -0.978 6.0-166.3-120.9 126.9 -32.1 -11.0 86.7 57 59 A V E -c 35 0A 17 -23,-3.1 -21,-2.0 -2,-0.5 2,-0.4 -0.947 24.3-129.7-120.0 121.0 -34.8 -9.1 88.6 58 60 A K E +c 36 0A 131 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.3 -0.512 54.5 156.4 -60.2 116.2 -37.6 -7.1 87.0 59 61 A C - 0 0 4 -23,-2.7 2,-1.0 -2,-0.4 -21,-0.1 -0.969 50.6-142.0-157.2 135.4 -37.1 -3.9 89.1 60 62 A D > - 0 0 39 -2,-0.3 3,-2.2 1,-0.1 7,-0.3 -0.820 20.8-160.7 -95.6 98.2 -37.8 -0.2 89.0 61 63 A V T 3 S+ 0 0 11 -2,-1.0 56,-0.2 1,-0.3 57,-0.1 0.514 83.3 65.6 -59.6 -6.1 -34.6 1.1 90.7 62 64 A S T 3 S+ 0 0 4 55,-0.1 -1,-0.3 51,-0.1 3,-0.1 0.633 86.1 83.0 -90.6 -14.6 -36.3 4.5 91.6 63 65 A Q <> - 0 0 72 -3,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.795 70.0-147.7 -95.8 125.6 -38.8 2.9 94.0 64 66 A P H > S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.898 99.6 53.2 -55.0 -44.1 -37.7 2.2 97.6 65 67 A G H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 109.9 46.8 -58.2 -48.8 -39.9 -0.9 97.8 66 68 A D H > S+ 0 0 68 -6,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.950 115.1 45.7 -58.3 -51.9 -38.5 -2.4 94.6 67 69 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 -7,-0.3 -2,-0.2 0.912 112.1 49.8 -60.4 -45.9 -34.9 -1.8 95.7 68 70 A E H X S+ 0 0 115 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.921 113.9 46.7 -60.1 -42.4 -35.4 -3.0 99.2 69 71 A A H X S+ 0 0 51 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.858 111.0 52.4 -67.1 -35.7 -37.0 -6.2 97.8 70 72 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.900 107.8 51.8 -66.7 -41.4 -34.2 -6.6 95.3 71 73 A G H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.947 109.6 47.9 -60.2 -50.3 -31.6 -6.4 98.0 72 74 A K H X S+ 0 0 128 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.877 112.5 50.2 -58.4 -40.0 -33.2 -9.1 100.1 73 75 A Q H X S+ 0 0 80 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.894 111.3 47.5 -67.2 -40.7 -33.5 -11.3 97.1 74 76 A V H X>S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.6 0.933 116.5 43.1 -66.1 -45.9 -29.9 -10.8 96.1 75 77 A I H X5S+ 0 0 73 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.891 115.5 50.1 -66.0 -39.1 -28.7 -11.5 99.6 76 78 A S H <5S+ 0 0 104 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.836 117.0 41.6 -67.1 -33.8 -31.1 -14.4 99.9 77 79 A T H <5S+ 0 0 54 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.899 134.9 12.8 -82.3 -45.1 -29.9 -15.8 96.6 78 80 A F H <5S- 0 0 29 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.578 88.7-130.0-109.5 -15.3 -26.1 -15.4 96.8 79 81 A G S <> - 0 0 43 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.233 29.3-118.4 -56.4 145.1 -35.3 22.1 76.0 96 98 A F G >4 S+ 0 0 14 1,-0.3 3,-0.6 2,-0.2 765,-0.0 0.886 112.0 56.6 -55.4 -43.8 -35.4 24.1 79.2 97 99 A D G 34 S+ 0 0 106 1,-0.2 -1,-0.3 717,-0.0 0, 0.0 0.596 114.7 41.0 -66.8 -7.1 -38.6 26.0 78.3 98 100 A E G <4 S+ 0 0 124 -3,-1.7 2,-0.4 2,-0.1 -1,-0.2 0.525 88.0 109.0-112.1 -15.0 -40.3 22.6 77.8 99 101 A L << - 0 0 1 -4,-1.2 2,-0.2 -3,-0.6 -5,-0.0 -0.509 55.7-156.7 -68.6 121.5 -38.8 20.9 80.9 100 102 A T > - 0 0 55 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.590 28.8-114.4 -98.3 162.7 -41.5 20.4 83.5 101 103 A F H > S+ 0 0 43 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 119.3 55.7 -60.1 -36.4 -41.1 19.9 87.3 102 104 A E H > S+ 0 0 132 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 109.8 43.8 -61.6 -46.9 -42.5 16.4 86.8 103 105 A Q H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 114.3 50.8 -63.3 -45.8 -39.8 15.5 84.2 104 106 A W H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.943 113.3 45.4 -54.9 -51.4 -37.1 17.1 86.3 105 107 A K H X S+ 0 0 24 -4,-3.0 4,-2.4 1,-0.2 3,-0.2 0.898 110.8 51.8 -60.6 -47.3 -38.3 15.1 89.3 106 108 A K H X S+ 0 0 91 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.881 106.2 55.6 -59.5 -39.9 -38.6 11.8 87.4 107 109 A T H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.866 110.2 45.4 -62.6 -36.0 -35.0 12.2 86.1 108 110 A F H X>S+ 0 0 4 -4,-1.4 4,-2.5 -3,-0.2 5,-2.3 0.888 108.6 55.9 -73.9 -39.7 -33.7 12.5 89.7 109 111 A E H <>S+ 0 0 51 -4,-2.4 5,-0.7 3,-0.2 -2,-0.2 0.878 119.5 31.6 -59.8 -39.8 -35.7 9.6 90.9 110 112 A I H <5S+ 0 0 29 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.882 127.7 37.8 -85.6 -43.0 -34.2 7.3 88.3 111 113 A N H <5S+ 0 0 4 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.798 133.8 15.1 -81.2 -30.3 -30.8 8.8 87.9 112 114 A V T X5S+ 0 0 3 -4,-2.5 4,-1.4 -5,-0.3 3,-0.3 0.812 119.9 52.1-113.7 -49.3 -30.0 9.7 91.5 113 115 A D H > S+ 0 0 5 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.909 113.5 45.8 -60.3 -43.4 -27.9 5.0 93.5 116 118 A F H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.959 112.5 49.7 -63.6 -52.5 -28.9 6.0 97.1 117 119 A L H X S+ 0 0 15 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.873 110.5 50.1 -56.2 -41.2 -31.4 3.2 97.5 118 120 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.877 108.9 53.0 -67.0 -36.2 -29.0 0.6 96.2 119 121 A A H X S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.932 107.1 50.3 -64.3 -46.4 -26.3 1.8 98.7 120 122 A K H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.8 50.1 -59.2 -37.3 -28.6 1.5 101.7 121 123 A A H < S+ 0 0 32 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.909 126.0 20.7 -68.2 -42.8 -29.4 -2.0 100.5 122 124 A F H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.1 3,-0.3 0.686 103.4 77.3-105.1 -19.6 -25.9 -3.3 100.1 123 125 A V H X S+ 0 0 4 -4,-3.4 4,-2.9 -5,-0.3 5,-0.3 0.920 89.1 60.4 -58.5 -45.3 -23.6 -1.1 102.1 124 126 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.902 108.9 43.9 -48.9 -46.3 -24.5 -2.7 105.4 125 127 A G H > S+ 0 0 18 -4,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.902 112.2 51.3 -66.7 -43.1 -23.2 -6.1 104.2 126 128 A M H X>S+ 0 0 2 -4,-1.9 5,-1.8 1,-0.2 4,-0.9 0.913 112.3 47.5 -60.2 -43.8 -20.1 -4.7 102.6 127 129 A K H <5S+ 0 0 67 -4,-2.9 3,-0.5 2,-0.2 -2,-0.2 0.923 108.9 53.5 -63.8 -45.2 -19.2 -2.9 105.9 128 130 A R H <5S+ 0 0 184 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.893 116.3 39.1 -57.3 -41.7 -19.9 -6.0 107.9 129 131 A N H <5S- 0 0 101 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.566 108.5-128.2 -86.0 -9.1 -17.5 -8.0 105.7 130 132 A G T <5S+ 0 0 38 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.761 76.3 87.7 70.0 26.0 -15.0 -5.1 105.5 131 133 A W < + 0 0 47 -5,-1.8 2,-0.3 -6,-0.2 44,-0.3 -0.951 45.4 141.5-155.9 133.8 -14.8 -5.0 101.7 132 134 A G E - 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