==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUL-07 2V6G . COMPND 2 MOLECULE: PROGESTERONE 5-BETA-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DIGITALIS LANATA; . AUTHOR A.THORN,C.EGERER-SIEBER,C.JAEGER,V.HERL,F.MUELLER-URI, . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 0 0 2 1 1 0 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 3 2 1 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 . 1 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 . 1 0 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 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 26 A S 0 0 138 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 118.2 13.6 -45.0 39.9 2 27 A S E +a 31 0A 25 28,-0.6 30,-2.1 26,-0.4 2,-0.4 -0.664 360.0 176.0 -98.9 130.7 11.2 -42.2 39.1 3 28 A V E -a 32 0A 7 -2,-0.4 71,-2.4 28,-0.2 72,-2.0 -0.935 14.1-157.8-133.2 109.0 7.9 -42.6 37.3 4 29 A A E -ab 33 75A 0 28,-3.1 30,-2.6 -2,-0.4 2,-0.5 -0.592 11.4-161.1 -92.5 144.1 5.6 -39.6 36.8 5 30 A L E -ab 34 76A 1 70,-2.1 72,-3.0 -2,-0.2 2,-0.7 -0.962 12.0-163.0-119.3 105.3 1.8 -39.5 36.2 6 31 A I E > -ab 35 77A 0 28,-3.1 30,-3.0 -2,-0.5 2,-0.8 -0.842 4.1-158.4 -88.3 113.5 0.9 -36.1 34.7 7 32 A V E 3 S+ab 36 78A 2 70,-2.9 72,-2.4 -2,-0.7 30,-0.1 -0.853 83.3 23.0 -99.0 105.5 -2.9 -35.6 35.1 8 33 A G T > S+ 0 0 11 28,-2.2 3,-1.6 -2,-0.8 6,-0.5 0.735 76.8 173.2 103.4 51.4 -3.9 -33.0 32.5 9 34 A V T < S+ 0 0 6 27,-2.7 9,-0.2 -3,-0.5 28,-0.2 0.702 72.9 49.7 -73.2 -23.4 -0.9 -33.5 30.2 10 35 A T T 3 S+ 0 0 22 26,-0.3 177,-0.5 4,-0.1 -1,-0.3 0.420 94.0 105.6 -90.5 0.9 -2.0 -31.3 27.3 11 36 A G S <> S- 0 0 17 -3,-1.6 4,-2.0 68,-0.1 5,-0.2 -0.047 92.3 -92.3 -73.7 179.1 -2.7 -28.4 29.8 12 37 A I H > S+ 0 0 13 2,-0.2 4,-0.5 1,-0.2 172,-0.5 0.842 127.8 26.3 -68.9 -34.6 -0.7 -25.3 30.3 13 38 A I H > S+ 0 0 2 66,-0.2 4,-2.8 2,-0.2 3,-0.5 0.858 115.8 62.4 -91.3 -41.7 1.4 -26.9 33.2 14 39 A G H > S+ 0 0 0 -6,-0.5 4,-2.2 65,-0.4 -2,-0.2 0.864 104.0 52.2 -47.8 -39.2 1.0 -30.5 32.0 15 40 A N H X S+ 0 0 37 -4,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.867 109.1 46.5 -66.5 -44.4 2.8 -29.5 28.8 16 41 A S H X S+ 0 0 2 -4,-0.5 4,-2.5 -3,-0.5 5,-0.3 0.924 113.2 49.9 -63.4 -45.6 5.8 -28.0 30.6 17 42 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.907 108.8 54.2 -58.6 -40.7 6.0 -31.0 32.9 18 43 A A H < S+ 0 0 14 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.815 113.7 40.4 -63.9 -36.6 5.9 -33.2 29.8 19 44 A E H < S+ 0 0 77 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.819 123.0 39.3 -77.1 -36.8 8.8 -31.4 28.2 20 45 A I H >< S+ 0 0 21 -4,-2.5 3,-2.2 -5,-0.1 -2,-0.2 0.924 101.2 65.6 -87.9 -45.7 10.9 -31.0 31.3 21 46 A L T 3< S+ 0 0 0 -4,-2.8 10,-0.5 -5,-0.3 -3,-0.1 0.869 102.6 49.0 -47.9 -47.1 10.5 -34.3 33.2 22 47 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.555 82.5 120.1 -76.3 -3.4 12.3 -36.4 30.6 23 48 A L S X S- 0 0 83 -3,-2.2 3,-1.2 -4,-0.2 8,-0.3 -0.231 71.7-120.7 -63.6 152.4 15.3 -34.1 30.3 24 49 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.1 6,-0.1 5,-0.1 0.848 109.2 40.6 -65.8 -38.7 18.7 -35.8 31.1 25 50 A D T 3 S+ 0 0 158 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.227 82.0 130.0 -96.8 11.5 19.7 -33.4 33.9 26 51 A T X - 0 0 15 -3,-1.2 3,-2.1 -6,-0.2 5,-0.0 -0.521 68.3-107.3 -67.7 126.0 16.2 -33.1 35.5 27 52 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 212,-0.1 -0.246 106.2 26.9 -51.8 139.2 16.4 -33.7 39.3 28 53 A G T 3 S- 0 0 32 1,-0.3 -26,-0.4 212,-0.1 -2,-0.1 0.292 111.1-174.4 89.2 -6.5 14.9 -37.1 40.3 29 54 A G < + 0 0 32 -3,-2.1 -1,-0.3 -28,-0.1 2,-0.1 -0.049 52.9 63.7 -77.8 175.7 15.8 -38.5 36.8 30 55 A P S S- 0 0 120 0, 0.0 -28,-0.6 0, 0.0 2,-0.4 0.460 77.5-163.1 -70.2 136.6 15.9 -40.3 34.6 31 56 A W E -a 2 0A 20 -10,-0.5 2,-0.4 -8,-0.3 -28,-0.2 -0.763 18.8-154.5 -95.2 135.4 12.0 -40.0 34.6 32 57 A K E -a 3 0A 83 -30,-2.1 -28,-3.1 -2,-0.4 2,-0.4 -0.870 26.4-155.6 -92.7 139.1 9.5 -42.3 33.0 33 58 A V E -a 4 0A 6 -2,-0.4 18,-2.3 -30,-0.2 2,-0.4 -0.979 20.6-171.8-128.3 129.7 6.4 -40.2 32.2 34 59 A Y E -ac 5 51A 26 -30,-2.6 -28,-3.1 -2,-0.4 2,-0.4 -0.954 15.1-159.2-107.7 141.5 2.7 -41.1 31.7 35 60 A G E -ac 6 52A 0 16,-2.3 18,-3.6 -2,-0.4 2,-0.4 -0.985 2.7-161.2-127.9 125.0 0.4 -38.3 30.5 36 61 A V E +ac 7 53A 2 -30,-3.0 -27,-2.7 -2,-0.4 -28,-2.2 -0.880 26.6 132.8-110.6 134.3 -3.4 -38.3 30.9 37 62 A A E - c 0 54A 13 16,-1.3 18,-1.7 -2,-0.4 4,-0.1 -0.921 49.5-125.6-160.7 164.8 -6.0 -36.2 29.0 38 63 A R S S+ 0 0 159 -2,-0.3 18,-0.1 16,-0.2 -1,-0.1 0.912 85.9 69.7 -81.1 -50.4 -9.4 -36.9 27.3 39 64 A R S S- 0 0 118 1,-0.1 16,-0.1 16,-0.1 2,-0.1 -0.251 97.1 -91.4 -68.7 159.1 -8.8 -35.5 23.8 40 65 A T - 0 0 97 1,-0.1 -1,-0.1 14,-0.1 -2,-0.1 -0.401 53.0 -93.2 -67.7 146.9 -6.4 -37.3 21.3 41 66 A R - 0 0 113 1,-0.1 -1,-0.1 -4,-0.1 13,-0.0 -0.379 44.8-106.7 -65.7 137.9 -2.8 -36.0 21.5 42 67 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.324 28.2-114.4 -70.8 150.8 -2.0 -33.2 19.0 43 68 A A S S+ 0 0 116 -3,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.227 71.4 126.6 -78.6 17.1 0.2 -34.2 16.0 44 69 A W - 0 0 49 1,-0.1 316,-0.0 316,-0.0 -3,-0.0 -0.475 66.3 -97.0 -76.9 143.0 3.2 -32.0 17.0 45 70 A H - 0 0 149 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.236 31.3-155.0 -58.2 138.1 6.8 -33.4 17.3 46 71 A E - 0 0 69 1,-0.1 -1,-0.1 4,-0.0 -27,-0.0 -0.980 13.8-155.6-116.6 123.5 8.2 -34.4 20.7 47 72 A D S S+ 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 -28,-0.0 0.872 100.7 23.4 -58.0 -37.5 12.0 -34.5 21.4 48 73 A N S S- 0 0 75 -3,-0.1 -1,-0.3 -30,-0.1 -25,-0.0 -0.726 90.4-146.2-132.1 83.4 11.1 -37.0 24.2 49 74 A P - 0 0 97 0, 0.0 2,-0.2 0, 0.0 -16,-0.2 -0.104 12.8-148.5 -50.6 142.0 7.8 -38.8 23.6 50 75 A I - 0 0 13 -18,-0.1 2,-1.0 -15,-0.0 -16,-0.2 -0.651 27.8 -96.8-104.7 166.8 5.8 -39.7 26.7 51 76 A N E -c 34 0A 85 -18,-2.3 -16,-2.3 -2,-0.2 2,-0.3 -0.765 47.1-151.6 -84.6 102.2 3.4 -42.6 27.3 52 77 A Y E -c 35 0A 41 -2,-1.0 2,-0.5 -18,-0.2 -16,-0.2 -0.643 11.5-166.0 -85.6 133.3 0.1 -41.0 26.5 53 78 A V E -c 36 0A 21 -18,-3.6 -16,-1.3 -2,-0.3 2,-0.6 -0.958 11.5-147.2-125.3 114.7 -3.0 -42.3 28.2 54 79 A Q E +c 37 0A 90 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.698 40.6 141.4 -82.2 117.3 -6.5 -41.4 27.1 55 80 A C - 0 0 4 -18,-1.7 2,-0.7 -2,-0.6 -16,-0.1 -0.975 49.6-140.3-157.5 138.7 -8.9 -41.2 30.1 56 81 A D > - 0 0 53 -2,-0.3 3,-1.3 1,-0.1 7,-0.5 -0.920 18.1-165.4 -94.6 110.4 -11.8 -39.3 31.5 57 82 A I T 3 S+ 0 0 11 -2,-0.7 43,-0.2 1,-0.3 -1,-0.1 0.606 82.3 70.0 -75.0 -10.2 -11.0 -39.1 35.2 58 83 A S T 3 S+ 0 0 55 42,-0.1 -1,-0.3 1,-0.1 40,-0.0 0.636 88.1 75.1 -78.4 -14.0 -14.6 -38.0 36.0 59 84 A D S <> S- 0 0 68 -3,-1.3 4,-2.4 1,-0.1 5,-0.3 -0.886 71.3-156.6-100.2 115.3 -15.7 -41.5 35.1 60 85 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.871 92.7 51.9 -62.9 -36.3 -14.9 -44.0 37.8 61 86 A D H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.927 112.5 44.5 -62.8 -46.4 -14.9 -47.0 35.4 62 87 A D H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.940 114.0 48.0 -67.5 -47.7 -12.6 -45.3 32.9 63 88 A S H X>S+ 0 0 2 -4,-2.4 4,-2.5 -7,-0.5 5,-0.5 0.906 114.3 47.9 -58.1 -42.0 -10.1 -44.1 35.5 64 89 A Q H X5S+ 0 0 92 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.943 115.1 45.7 -62.9 -47.3 -10.1 -47.5 37.2 65 90 A A H <5S+ 0 0 64 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.887 122.5 34.4 -59.5 -41.7 -9.6 -49.2 33.7 66 91 A K H <5S+ 0 0 76 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.820 124.0 36.2 -91.5 -35.8 -6.8 -46.8 32.5 67 92 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.1 -5,-0.3 -3,-0.2 0.729 99.9 71.5 -97.6 -26.7 -4.8 -46.0 35.7 68 93 A S T 3< S- 0 0 58 1,-0.1 4,-2.2 42,-0.0 -2,-0.1 -0.977 76.7-125.2-140.8 152.3 -21.2 -22.3 40.5 87 112 A E H > S+ 0 0 5 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.788 111.6 59.4 -71.8 -26.4 -18.6 -23.0 43.1 88 113 A Q H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 108.6 45.7 -61.4 -48.8 -20.9 -25.7 44.7 89 114 A E H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.898 109.0 55.7 -58.7 -44.8 -20.8 -27.4 41.3 90 115 A N H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.921 108.7 47.1 -55.5 -46.7 -17.0 -26.9 41.2 91 116 A C H X S+ 0 0 7 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.923 114.2 49.5 -58.7 -45.9 -16.6 -28.7 44.5 92 117 A E H X S+ 0 0 123 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.981 118.5 34.4 -55.8 -62.6 -18.9 -31.5 43.3 93 118 A A H X S+ 0 0 21 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.875 119.0 49.8 -69.8 -40.0 -17.2 -32.2 40.0 94 119 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.4 -1,-0.2 0.858 107.9 53.8 -69.4 -33.8 -13.6 -31.5 41.0 95 120 A S H X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.903 108.1 49.5 -67.6 -41.0 -13.8 -33.7 44.1 96 121 A K H X S+ 0 0 45 -4,-1.6 4,-3.2 -5,-0.2 5,-0.2 0.958 110.4 50.3 -61.5 -51.3 -15.0 -36.8 42.1 97 122 A M H X S+ 0 0 15 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.915 114.3 43.5 -52.8 -51.2 -12.2 -36.4 39.5 98 123 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.900 114.0 49.7 -66.4 -43.1 -9.4 -36.2 42.1 99 124 A R H X S+ 0 0 89 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.897 108.6 55.1 -62.4 -41.1 -10.9 -39.0 44.3 100 125 A N H X S+ 0 0 24 -4,-3.2 4,-1.4 -5,-0.2 -2,-0.2 0.902 108.6 47.5 -56.4 -43.7 -11.1 -41.1 41.1 101 126 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 3,-0.5 0.984 115.6 43.8 -62.3 -53.5 -7.4 -40.6 40.4 102 127 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.882 110.1 54.7 -63.4 -40.2 -6.4 -41.5 44.0 103 128 A D H < S+ 0 0 66 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 113.7 42.3 -62.0 -33.9 -8.7 -44.5 44.3 104 129 A A H < S+ 0 0 0 -4,-1.4 4,-0.3 -3,-0.5 -1,-0.2 0.831 122.3 38.3 -78.6 -32.6 -7.2 -46.0 41.1 105 130 A V H >X S+ 0 0 3 -4,-1.9 4,-1.2 -5,-0.2 3,-0.7 0.911 105.9 57.4 -89.2 -50.0 -3.5 -45.2 41.9 106 131 A I T 3< S+ 0 0 15 -4,-2.3 3,-0.4 1,-0.2 6,-0.2 0.879 109.3 43.5 -58.8 -44.7 -2.9 -45.6 45.7 107 132 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.759 120.1 42.4 -70.8 -21.3 -4.0 -49.3 45.9 108 133 A N T <4 S+ 0 0 54 -3,-0.7 -2,-0.2 -4,-0.3 -3,-0.1 0.445 97.6 74.8-110.1 -2.9 -2.1 -50.3 42.8 109 134 A C >< - 0 0 1 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.1 -0.849 50.2-180.0-116.2 92.2 1.2 -48.5 43.0 110 135 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 0.757 86.0 47.0 -62.6 -25.6 3.5 -50.1 45.7 111 136 A N T 3 S+ 0 0 100 -40,-0.5 2,-0.1 -38,-0.2 -39,-0.1 0.258 77.2 141.4-100.4 10.9 6.2 -47.5 45.0 112 137 A L < + 0 0 6 -3,-1.6 -38,-0.2 -6,-0.2 -37,-0.2 -0.345 16.1 164.1 -56.4 126.3 4.0 -44.5 45.2 113 138 A K + 0 0 58 -39,-3.4 59,-2.4 1,-0.3 2,-0.3 0.714 49.5 19.1-115.7 -35.7 5.9 -41.7 47.0 114 139 A H E -de 75 172A 0 -40,-1.8 -38,-2.6 57,-0.2 2,-0.5 -0.996 43.1-156.0-154.5 141.8 4.2 -38.3 46.4 115 140 A I E -de 76 173A 0 57,-1.7 59,-1.9 -2,-0.3 2,-0.6 -0.980 15.3-165.6-119.9 117.5 1.1 -36.4 45.3 116 141 A S E -de 77 174A 0 -40,-3.1 -38,-3.1 -2,-0.5 2,-0.5 -0.911 8.2-165.5-103.8 115.4 1.7 -32.9 44.0 117 142 A L E -de 78 175A 0 57,-2.8 59,-2.5 -2,-0.6 2,-0.6 -0.909 6.6-152.5-108.6 123.0 -1.6 -30.9 43.8 118 143 A Q E + e 0 176A 32 -40,-2.1 -38,-0.2 -2,-0.5 59,-0.2 -0.852 32.8 142.6 -93.8 121.0 -1.8 -27.7 41.8 119 144 A T - 0 0 8 57,-2.6 2,-0.3 -2,-0.6 58,-0.1 0.176 33.0-141.8-115.5-117.4 -4.4 -25.1 43.0 120 145 A G > - 0 0 3 57,-0.2 3,-1.8 -2,-0.1 59,-0.2 -0.988 34.4 -54.8 168.2-177.0 -3.8 -21.4 42.9 121 146 A R T >> S+ 0 0 14 57,-2.1 3,-1.7 1,-0.3 4,-1.0 0.599 107.5 81.6 -68.5 -16.4 -4.1 -17.9 44.4 122 147 A K H 3> S+ 0 0 13 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.664 73.8 80.6 -64.2 -15.5 -7.9 -18.1 44.7 123 148 A H H <4 S+ 0 0 8 -3,-1.8 25,-0.6 1,-0.2 -1,-0.3 0.904 105.3 29.9 -46.7 -43.9 -7.1 -20.0 47.9 124 149 A Y H <4 S+ 0 0 2 -3,-1.7 13,-1.4 -4,-0.1 -2,-0.2 0.657 127.4 42.1 -92.8 -22.8 -6.6 -16.5 49.4 125 150 A M H < S- 0 0 36 -4,-1.0 -3,-0.2 1,-0.2 -2,-0.2 0.701 102.7-125.2 -99.8 -25.7 -9.1 -14.5 47.2 126 151 A G < - 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.248 46.9 -34.1 92.8 171.5 -12.1 -16.9 47.1 127 152 A P >> - 0 0 0 0, 0.0 3,-3.0 0, 0.0 4,-0.8 -0.223 58.0-107.6 -70.9 151.9 -13.9 -18.3 44.1 128 153 A F G >4 S+ 0 0 51 1,-0.3 3,-0.8 2,-0.2 -42,-0.0 0.811 121.1 59.0 -41.5 -38.4 -14.6 -16.5 40.8 129 154 A E G 34 S+ 0 0 67 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.764 102.2 52.8 -65.4 -25.9 -18.2 -16.2 41.9 130 155 A S G X> S+ 0 0 2 -3,-3.0 3,-2.8 2,-0.1 4,-0.7 0.632 76.5 132.1 -84.6 -16.4 -17.3 -14.3 45.1 131 156 A Y T << S- 0 0 69 -3,-0.8 4,-0.1 -4,-0.8 -5,-0.1 -0.112 83.5 -1.9 -48.0 121.3 -15.1 -11.6 43.3 132 157 A G T 34 S+ 0 0 89 2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.401 123.2 76.7 78.5 -1.3 -16.1 -8.1 44.5 133 158 A K T <4 S+ 0 0 172 -3,-2.8 2,-0.3 1,-0.1 -2,-0.2 0.435 90.9 53.8-110.5 -5.0 -18.8 -9.5 46.8 134 159 A I S < S- 0 0 53 -4,-0.7 2,-0.3 -9,-0.1 -2,-0.3 -0.968 80.5-112.9-144.7 137.7 -16.6 -10.7 49.6 135 160 A E - 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0 0 105 -2,-0.3 2,-0.5 -109,-0.1 -108,-0.1 -0.534 39.2-123.8 -67.9 141.4 -6.2 -5.2 40.2 327 352 A C - 0 0 19 -105,-0.3 2,-0.5 -110,-0.3 -105,-0.1 -0.796 19.5-153.9 -88.7 123.9 -3.5 -7.9 40.7 328 353 A F - 0 0 69 -2,-0.5 -104,-0.1 -104,-0.0 -105,-0.1 -0.896 19.7-130.4-101.7 124.8 -2.9 -8.8 44.3 329 354 A L - 0 0 50 -2,-0.5 -188,-1.9 -107,-0.1 2,-0.2 -0.223 14.3-152.6 -77.4 155.0 0.6 -10.1 45.0 330 355 A D B -g 141 0B 13 -190,-0.3 2,-0.4 -191,-0.1 -188,-0.2 -0.622 20.2-112.2-110.9 176.6 1.8 -13.2 46.8 331 356 A S - 0 0 15 -190,-2.0 -81,-0.3 -2,-0.2 4,-0.2 -0.942 14.0-167.0-114.6 138.2 5.0 -14.0 48.6 332 357 A M > + 0 0 18 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 0.332 62.8 106.0 -98.2 6.2 7.8 -16.4 47.6 333 358 A N H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 79.0 48.4 -52.4 -47.4 9.5 -16.2 51.0 334 359 A K H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 111.2 49.2 -65.5 -46.3 8.4 -19.7 52.1 335 360 A S H 4>S+ 0 0 0 -4,-0.2 5,-2.5 1,-0.2 4,-0.3 0.942 114.4 46.5 -51.4 -47.7 9.4 -21.4 48.9 336 361 A K H ><5S+ 0 0 110 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.884 110.3 52.3 -67.4 -39.2 12.9 -19.7 49.1 337 362 A E H 3<5S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.1 50.0 -67.1 -32.6 13.2 -20.6 52.8 338 363 A H T 3<5S- 0 0 49 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.398 132.3 -91.8 -87.7 0.1 12.5 -24.3 52.0 339 364 A G T < 5S+ 0 0 43 -3,-1.1 2,-0.9 -4,-0.3 -3,-0.2 0.421 82.5 129.3 113.5 3.0 15.1 -24.2 49.1 340 365 A F < + 0 0 13 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.785 17.4 163.4 -91.4 106.2 13.4 -23.2 45.9 341 366 A L + 0 0 128 -2,-0.9 -1,-0.1 -5,-0.1 -5,-0.1 0.203 27.7 132.3-106.3 12.6 15.4 -20.3 44.3 342 367 A G + 0 0 29 -112,-0.1 2,-0.3 -109,-0.0 -2,-0.0 -0.311 27.1 162.3 -65.7 150.4 14.0 -20.5 40.8 343 368 A F - 0 0 143 -89,-0.0 2,-0.3 2,-0.0 -89,-0.2 -0.940 24.7-143.7-155.8 168.4 12.8 -17.3 39.2 344 369 A R - 0 0 61 -91,-2.3 2,-0.8 -2,-0.3 3,-0.1 -0.990 22.7-125.1-142.2 143.0 11.9 -15.8 35.8 345 370 A N > - 0 0 77 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.795 30.6-152.4 -73.5 110.1 12.3 -12.3 34.2 346 371 A S H > S+ 0 0 1 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.839 88.5 51.5 -65.8 -35.8 8.6 -11.9 33.4 347 372 A K H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 113.9 43.5 -62.0 -53.1 9.2 -9.6 30.4 348 373 A N H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 114.8 51.1 -58.1 -44.1 11.7 -12.0 28.8 349 374 A A H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.907 106.5 54.5 -60.2 -44.5 9.4 -14.9 29.6 350 375 A F H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.934 109.4 46.8 -54.3 -50.7 6.4 -13.1 28.0 351 376 A I H X S+ 0 0 42 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.907 110.2 54.6 -59.0 -43.7 8.3 -12.7 24.7 352 377 A S H X S+ 0 0 63 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.881 109.6 45.4 -59.4 -40.2 9.4 -16.3 24.9 353 378 A W H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.859 111.3 52.8 -76.1 -35.0 5.7 -17.6 25.2 354 379 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.938 109.8 49.9 -58.9 -48.5 4.6 -15.3 22.4 355 380 A D H X S+ 0 0 78 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.854 108.7 52.5 -57.3 -36.6 7.4 -16.8 20.3 356 381 A K H X S+ 0 0 33 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.935 104.6 54.0 -70.2 -44.3 6.2 -20.3 21.2 357 382 A A H <>S+ 0 0 6 -4,-2.3 5,-2.6 1,-0.2 6,-1.2 0.841 114.1 43.7 -51.6 -35.7 2.6 -19.5 20.1 358 383 A K H ><5S+ 0 0 48 -4,-1.4 3,-1.4 3,-0.2 -2,-0.2 0.876 109.9 54.4 -79.3 -38.3 4.1 -18.4 16.7 359 384 A A H 3<5S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.885 110.6 46.4 -65.8 -37.0 6.5 -21.4 16.4 360 385 A Y T 3<5S- 0 0 85 -4,-2.5 -1,-0.3 -5,-0.2 -54,-0.2 0.328 115.6-119.4 -85.5 8.5 3.6 -23.9 16.9 361 386 A K T < 5S+ 0 0 123 -3,-1.4 -55,-2.4 2,-0.2 -3,-0.2 0.814 74.3 131.0 56.5 39.0 1.5 -21.8 14.3 362 387 A I S