==== 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 TRANSFERASE 19-JUL-05 2ACV . COMPND 2 MOLECULE: TRITERPENE UDP-GLUCOSYL TRANSFERASE UGT71G1; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO TRUNCATULA; . AUTHOR H.SHAO,X.HE,L.ACHNINE,J.W.BLOUNT,R.A.DIXON,X.WANG . 917 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 1 0.1 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 . 2 0.2 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 . 66 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 4 0 3 5 3 5 3 1 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 8 8 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 3 A M > 0 0 181 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.7 51.0 7.1 70.5 2 4 A S H > + 0 0 67 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.894 360.0 49.5 -59.2 -42.2 47.8 9.1 70.4 3 5 A D H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.959 111.8 46.6 -61.7 -53.1 49.2 11.4 67.6 4 6 A I H 4 S+ 0 0 119 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.929 112.6 52.6 -53.7 -46.1 50.3 8.4 65.5 5 7 A N H < S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 109.6 48.6 -59.9 -36.1 46.9 6.8 66.1 6 8 A K H < S+ 0 0 113 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.735 86.3 102.3 -79.4 -25.1 45.1 10.0 65.0 7 9 A N < + 0 0 56 -4,-1.7 2,-0.3 -3,-0.4 31,-0.2 -0.384 45.7 168.9 -66.1 135.6 47.0 10.5 61.7 8 10 A S E -a 38 0A 9 29,-2.1 31,-2.8 -2,-0.1 2,-0.4 -0.971 17.6-152.7-143.4 154.2 45.2 9.5 58.5 9 11 A E E -ab 39 113A 21 103,-2.5 105,-2.8 -2,-0.3 106,-0.7 -0.995 4.6-167.3-136.5 140.5 45.7 10.0 54.8 10 12 A L E -ab 40 115A 0 29,-2.4 31,-2.4 -2,-0.4 2,-0.6 -0.922 14.5-143.2-121.0 147.8 43.5 10.1 51.8 11 13 A I E -ab 41 116A 0 104,-2.3 106,-2.3 -2,-0.4 2,-0.5 -0.962 16.5-154.7-113.5 117.7 44.5 9.9 48.1 12 14 A F E -ab 42 117A 3 29,-3.1 31,-3.2 -2,-0.6 106,-0.2 -0.809 14.7-179.7 -95.3 130.3 42.4 12.1 45.8 13 15 A I E + b 0 118A 2 104,-2.9 106,-1.7 -2,-0.5 109,-0.1 -0.744 16.9 176.1-128.6 81.8 42.1 11.3 42.2 14 16 A P - 0 0 11 0, 0.0 31,-0.2 0, 0.0 7,-0.1 -0.291 32.4-103.3 -81.1 168.4 39.8 13.9 40.5 15 17 A A - 0 0 4 5,-0.2 5,-0.1 1,-0.1 9,-0.1 -0.565 46.9 -91.3 -88.5 156.6 38.9 14.3 36.9 16 18 A P S S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 -0.168 81.1 34.0 -66.5 161.0 40.6 17.0 34.7 17 19 A G S >> S- 0 0 9 34,-0.3 4,-2.4 35,-0.3 3,-1.6 0.363 92.5 -66.5 78.4 152.1 39.3 20.5 34.2 18 20 A I T 34 S+ 0 0 47 1,-0.2 265,-0.1 2,-0.2 0, 0.0 -0.399 118.8 53.8 -65.7 152.4 37.4 23.1 36.3 19 21 A G T 34 S+ 0 0 23 263,-0.1 -1,-0.2 1,-0.0 340,-0.1 -0.021 121.8 34.4 107.0 -31.3 33.9 21.7 36.9 20 22 A H T <> S+ 0 0 50 -3,-1.6 4,-0.7 -5,-0.1 -2,-0.2 0.587 122.4 44.3-120.5 -35.4 35.4 18.5 38.3 21 23 A L H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.889 103.4 61.2 -79.7 -44.7 38.6 20.0 40.0 22 24 A A H > S+ 0 0 9 1,-0.2 4,-2.2 -5,-0.2 5,-0.2 0.930 109.9 39.4 -49.8 -57.4 37.1 23.0 41.7 23 25 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 113.6 55.9 -65.4 -33.8 34.7 21.2 44.0 24 26 A A H X S+ 0 0 1 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.864 110.6 44.3 -67.3 -36.8 37.2 18.4 44.6 25 27 A L H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.878 113.0 50.7 -74.0 -38.9 39.9 20.9 45.9 26 28 A E H X S+ 0 0 39 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.846 110.2 52.3 -65.5 -32.3 37.3 22.7 48.0 27 29 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.912 105.9 52.1 -69.7 -41.7 36.3 19.3 49.4 28 30 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.880 111.9 48.1 -61.0 -36.8 39.9 18.5 50.3 29 31 A K H X S+ 0 0 19 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.875 109.3 51.4 -71.0 -39.7 40.1 21.8 52.1 30 32 A L H X S+ 0 0 26 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.941 111.4 48.8 -61.5 -47.0 36.8 21.2 53.9 31 33 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.947 113.0 45.3 -58.2 -53.3 38.0 17.8 55.1 32 34 A T H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.3 6,-0.2 0.823 107.5 58.7 -63.1 -32.3 41.4 19.1 56.4 33 35 A N H 3< S+ 0 0 94 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.762 109.3 46.3 -67.2 -24.4 39.7 22.1 58.1 34 36 A H T << S+ 0 0 87 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.316 119.6 34.8-103.1 9.1 37.7 19.6 60.1 35 37 A D X - 0 0 33 -3,-1.0 3,-1.9 -4,-0.3 -1,-0.3 -0.695 60.7-164.2-161.4 101.5 40.4 17.2 61.2 36 38 A K T 3 S+ 0 0 144 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.0 0.652 93.3 53.3 -62.5 -17.5 43.9 18.6 61.9 37 39 A N T 3 S+ 0 0 45 -31,-0.1 -29,-2.1 2,-0.0 2,-0.6 0.194 85.2 103.2-103.7 13.7 45.4 15.1 61.6 38 40 A L E < -a 8 0A 1 -3,-1.9 2,-0.4 -6,-0.2 -29,-0.2 -0.870 52.2-169.1-101.0 122.9 43.9 14.4 58.2 39 41 A Y E -a 9 0A 99 -31,-2.8 -29,-2.4 -2,-0.6 2,-0.4 -0.865 2.5-159.5-113.5 147.6 46.3 14.6 55.3 40 42 A I E -ac 10 67A 2 26,-3.2 28,-2.4 -2,-0.4 2,-0.5 -0.984 10.4-164.0-132.1 137.5 45.6 14.5 51.6 41 43 A T E -ac 11 68A 2 -31,-2.4 -29,-3.1 -2,-0.4 2,-0.6 -0.972 15.1-155.5-115.7 123.8 47.6 13.7 48.5 42 44 A V E -ac 12 69A 2 26,-2.7 28,-2.4 -2,-0.5 2,-0.6 -0.896 7.9-143.6-104.8 120.1 46.0 14.9 45.3 43 45 A F E - c 0 70A 0 -31,-3.2 2,-0.7 -2,-0.6 28,-0.2 -0.725 16.0-150.2 -82.1 122.1 47.0 13.1 42.1 44 46 A C E - c 0 71A 10 26,-2.7 28,-2.3 -2,-0.6 2,-0.3 -0.842 10.1-159.9-100.5 110.2 47.2 15.7 39.3 45 47 A I - 0 0 29 -2,-0.7 2,-0.7 -31,-0.2 29,-0.1 -0.682 11.9-136.5 -90.4 139.3 46.4 14.2 35.9 46 48 A K - 0 0 83 -2,-0.3 29,-0.3 26,-0.3 6,-0.1 -0.852 18.2-153.8 -97.6 113.0 47.4 16.0 32.6 47 49 A F > - 0 0 28 -2,-0.7 3,-0.9 4,-0.3 2,-0.2 -0.683 34.3 -91.5 -87.3 138.3 44.6 16.0 30.0 48 50 A P T 3 S- 0 0 39 0, 0.0 -1,-0.1 0, 0.0 28,-0.0 -0.249 104.4 -10.9 -51.9 112.9 45.6 16.1 26.3 49 51 A G T 3 S+ 0 0 78 1,-0.2 -3,-0.0 -2,-0.2 0, 0.0 0.968 107.0 125.3 60.0 58.2 45.7 19.8 25.3 50 52 A M < - 0 0 63 -3,-0.9 -1,-0.2 1,-0.1 -3,-0.2 -0.999 46.9-144.4-150.7 145.4 44.1 21.3 28.4 51 53 A P + 0 0 83 0, 0.0 -34,-0.3 0, 0.0 -4,-0.3 0.285 62.9 91.3 -81.7-149.7 44.8 23.9 31.1 52 54 A F + 0 0 34 -36,-0.1 -35,-0.3 -35,-0.1 201,-0.0 0.921 63.9 147.2 55.9 47.8 43.9 23.9 34.8 53 55 A A > - 0 0 58 -37,-0.1 4,-2.0 3,-0.1 3,-0.3 0.205 67.5 -48.0 -89.0-148.8 47.2 22.3 35.7 54 56 A D H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.895 132.8 60.7 -53.2 -46.4 49.4 22.8 38.8 55 57 A S H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 108.0 43.2 -48.5 -52.5 49.2 26.6 38.6 56 58 A Y H > S+ 0 0 17 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.948 114.7 48.8 -61.2 -52.3 45.4 26.5 39.0 57 59 A I H X S+ 0 0 4 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.939 112.3 46.4 -55.9 -52.6 45.3 23.9 41.8 58 60 A K H X S+ 0 0 126 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.889 111.0 54.9 -58.6 -37.7 48.0 25.5 43.9 59 61 A S H < S+ 0 0 44 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.927 111.1 44.6 -60.4 -45.3 46.1 28.8 43.4 60 62 A V H < S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 114.5 47.7 -65.0 -45.8 42.9 27.2 44.7 61 63 A L H < S- 0 0 12 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.824 83.2-169.5 -65.6 -32.4 44.7 25.5 47.7 62 64 A A < - 0 0 74 -4,-2.5 -3,-0.1 -5,-0.2 -4,-0.1 0.878 67.6 -32.2 39.3 57.8 46.5 28.7 48.6 63 65 A S S S+ 0 0 109 -5,-0.4 -5,-0.0 1,-0.2 -4,-0.0 0.826 71.2 173.4 69.4 112.8 48.8 27.0 51.1 64 66 A Q > - 0 0 43 3,-0.3 3,-2.0 1,-0.1 -1,-0.2 -0.834 22.0-158.0-152.9 106.1 47.5 24.0 53.1 65 67 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.720 96.1 52.6 -57.1 -24.5 50.0 22.0 55.3 66 68 A Q T 3 S+ 0 0 21 1,-0.1 -26,-3.2 -27,-0.1 2,-0.4 0.313 101.7 69.3 -97.4 8.2 47.7 19.0 55.1 67 69 A I E < +c 40 0A 18 -3,-2.0 2,-0.3 -28,-0.2 -3,-0.3 -0.969 52.6 168.5-133.6 122.3 47.5 18.9 51.3 68 70 A Q E -c 41 0A 108 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.4 -0.917 20.4-141.5-126.5 154.5 50.2 18.0 48.8 69 71 A L E -c 42 0A 37 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.905 9.2-167.0-120.7 148.0 50.0 17.3 45.1 70 72 A I E -c 43 0A 39 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.3 -0.992 18.5-135.6-133.5 123.4 51.7 14.8 42.9 71 73 A D E -c 44 0A 79 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.608 16.3-135.1 -80.4 135.2 51.7 14.9 39.1 72 74 A L - 0 0 7 -28,-2.3 -26,-0.3 -2,-0.3 3,-0.1 -0.682 35.4 -96.3 -86.3 141.8 51.1 11.7 37.2 73 75 A P - 0 0 69 0, 0.0 2,-0.2 0, 0.0 -27,-0.2 -0.236 45.3-100.8 -57.1 147.0 53.4 11.1 34.2 74 76 A E - 0 0 141 -29,-0.1 2,-0.3 -3,-0.1 -27,-0.1 -0.512 42.8-165.5 -71.7 135.1 52.0 12.1 30.8 75 77 A V - 0 0 44 -29,-0.3 22,-0.1 -2,-0.2 21,-0.0 -0.787 33.7 -81.3-118.9 161.9 50.6 9.2 28.8 76 78 A E - 0 0 162 -2,-0.3 -1,-0.0 20,-0.1 20,-0.0 -0.429 51.8-122.3 -62.5 129.8 49.7 8.9 25.1 77 79 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.377 31.4 -97.8 -72.1 153.3 46.1 10.2 24.7 78 80 A P - 0 0 13 0, 0.0 11,-0.0 0, 0.0 15,-0.0 -0.209 58.2 -71.8 -65.6 164.0 43.5 7.9 23.2 79 81 A P > - 0 0 71 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.316 36.7-130.0 -60.4 138.0 42.7 8.1 19.5 80 82 A Q G > S+ 0 0 147 1,-0.3 3,-2.9 2,-0.2 4,-0.1 0.830 103.7 73.7 -54.5 -35.5 40.8 11.3 18.5 81 83 A E G > S+ 0 0 142 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.746 84.2 67.2 -52.4 -26.0 38.4 9.1 16.6 82 84 A L G X S+ 0 0 38 -3,-2.0 3,-1.4 1,-0.3 7,-0.3 0.566 73.4 89.7 -74.8 -6.1 37.0 8.0 20.0 83 85 A L G < + 0 0 79 -3,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.517 53.7 96.9 -68.0 -2.5 35.7 11.5 20.5 84 86 A K G < S+ 0 0 122 -3,-1.1 -1,-0.3 1,-0.3 110,-0.2 0.622 101.4 28.5 -59.9 -8.0 32.5 10.2 18.8 85 87 A S S <> S- 0 0 0 -3,-1.4 4,-2.3 110,-0.1 -1,-0.3 -0.782 73.4-163.7-153.7 101.9 31.7 10.0 22.5 86 88 A P H > S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.926 93.5 53.9 -53.6 -46.5 33.4 12.4 25.0 87 89 A E H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 109.9 45.1 -56.8 -45.3 32.5 10.2 27.9 88 90 A F H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.871 111.7 54.1 -67.9 -35.2 34.0 7.0 26.4 89 91 A Y H X S+ 0 0 22 -4,-2.3 4,-2.4 -7,-0.3 -2,-0.2 0.945 110.9 45.8 -60.7 -49.8 37.1 9.1 25.4 90 92 A I H X S+ 0 0 34 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.923 112.0 50.5 -59.9 -47.5 37.5 10.2 29.0 91 93 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 111.7 48.9 -57.5 -44.2 37.0 6.7 30.4 92 94 A T H X S+ 0 0 38 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.912 110.7 49.6 -63.0 -45.2 39.6 5.3 28.0 93 95 A F H X S+ 0 0 3 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.928 112.5 48.1 -60.6 -45.8 42.1 8.0 28.9 94 96 A L H >< S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.918 109.2 50.5 -64.9 -43.9 41.6 7.4 32.6 95 97 A E H >< S+ 0 0 85 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.768 102.5 63.4 -65.8 -21.5 41.9 3.6 32.5 96 98 A S H 3< S+ 0 0 43 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.3 0.701 98.7 56.2 -74.1 -17.1 45.1 4.1 30.5 97 99 A L T S+ 0 0 49 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.917 80.4 51.9 -54.7 -48.1 45.9 2.8 35.9 99 101 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.914 113.1 44.6 -56.0 -44.5 49.5 1.6 35.6 100 102 A H H > S+ 0 0 66 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.809 111.8 52.7 -70.4 -30.8 50.9 5.0 36.6 101 103 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.945 110.8 47.2 -68.9 -47.5 48.3 5.4 39.4 102 104 A K H X S+ 0 0 72 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.934 112.9 49.4 -58.1 -46.6 49.3 2.0 40.9 103 105 A A H X S+ 0 0 52 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.872 112.2 47.6 -61.2 -38.7 53.0 2.9 40.6 104 106 A T H X S+ 0 0 19 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.877 110.9 50.6 -71.9 -37.3 52.4 6.2 42.3 105 107 A I H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.902 107.9 53.8 -65.8 -40.7 50.4 4.7 45.1 106 108 A K H < S+ 0 0 136 -4,-2.3 3,-0.2 -5,-0.2 -1,-0.2 0.878 108.0 52.2 -61.0 -36.4 53.1 2.1 45.7 107 109 A T H < S+ 0 0 119 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 120.7 29.0 -71.4 -32.2 55.6 5.0 46.0 108 110 A I H < S+ 0 0 38 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.310 88.9 133.3-111.9 8.0 53.8 7.0 48.7 109 111 A L < + 0 0 76 -4,-1.1 2,-0.3 -3,-0.2 -3,-0.1 -0.215 21.9 157.4 -60.7 147.7 51.9 4.1 50.4 110 112 A S > - 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0 0 12 -2,-0.6 -28,-0.8 -31,-0.2 2,-0.5 -0.947 19.4-137.3-111.4 119.0 -13.5 24.3 -8.1 503 48 B K - 0 0 30 -2,-0.5 3,-0.2 26,-0.4 6,-0.1 -0.648 22.8-119.4 -81.6 122.8 -12.9 27.0 -5.6 504 49 B F - 0 0 63 -2,-0.5 2,-0.1 1,-0.2 -1,-0.1 -0.304 47.6 -79.9 -59.2 137.5 -10.3 26.1 -2.9 505 50 B P S S- 0 0 20 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.140 106.6 -15.5 -43.1 104.8 -11.7 26.1 0.6 506 51 B G S S+ 0 0 69 1,-0.2 -2,-0.0 -3,-0.2 -3,-0.0 -0.659 102.3 105.6 103.2 -80.6 -11.7 29.8 1.7 507 52 B M - 0 0 106 -2,-0.9 -1,-0.2 2,-0.1 -33,-0.1 0.016 60.4-140.5 -40.6 138.5 -9.5 31.7 -0.8 508 53 B P + 0 0 100 0, 0.0 -4,-0.2 0, 0.0 -34,-0.1 0.909 51.2 134.8 -67.0-102.3 -11.4 33.9 -3.3 509 54 B F + 0 0 81 -6,-0.1 5,-0.2 -35,-0.0 4,-0.1 0.750 33.6 160.7 54.9 25.3 -9.9 33.8 -6.8 510 55 B A S S- 0 0 47 1,-0.2 -3,-0.0 2,-0.1 4,-0.0 0.903 71.8 -36.2 -38.5 -89.3 -13.5 33.4 -8.1 511 56 B D S > S+ 0 0 59 3,-0.1 4,-1.1 2,-0.1 5,-0.3 0.006 108.6 105.6-133.6 27.6 -13.4 34.4 -11.8 512 57 B S H > S+ 0 0 73 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.961 92.1 31.5 -72.6 -54.3 -10.9 37.2 -11.7 513 58 B Y H > S+ 0 0 8 2,-0.2 4,-2.1 -4,-0.1 -1,-0.2 0.731 113.1 70.8 -75.2 -23.2 -7.9 35.4 -13.2 514 59 B I H >4 S+ 0 0 13 2,-0.2 3,-0.8 1,-0.2 4,-0.2 0.988 108.8 26.2 -56.2 -79.0 -10.4 33.3 -15.3 515 60 B K H >X S+ 0 0 153 -4,-1.1 3,-1.0 1,-0.2 4,-0.8 0.773 114.0 74.1 -57.9 -24.2 -11.7 35.8 -17.8 516 61 B S H 3< S+ 0 0 44 -4,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.947 112.4 21.7 -53.2 -54.9 -8.3 37.6 -17.2 517 62 B V T << S+ 0 0 23 -4,-2.1 -1,-0.3 -3,-0.8 -2,-0.2 0.066 101.0 98.9-102.2 22.6 -6.4 35.0 -19.3 518 63 B L T <4 - 0 0 43 -3,-1.0 3,-0.4 -4,-0.2 -1,-0.2 0.934 58.2-167.9 -72.2 -48.3 -9.6 33.9 -21.1 519 64 B A < - 0 0 76 -4,-0.8 -3,-0.1 -3,-0.3 -4,-0.1 0.784 63.5 -82.7 61.0 26.4 -8.8 35.9 -24.2 520 65 B S - 0 0 93 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.925 62.5-167.1 39.7 68.4 -12.4 35.0 -25.1 521 66 B Q > - 0 0 37 -3,-0.4 3,-1.7 1,-0.2 -1,-0.2 -0.771 12.6-156.0 -86.0 113.0 -11.6 31.6 -26.6 522 67 B P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.807 92.7 52.6 -58.5 -31.6 -14.7 30.4 -28.4 523 68 B Q T 3 S+ 0 0 30 -27,-0.1 -26,-3.2 -3,-0.1 2,-0.4 0.384 101.9 70.7 -87.4 2.7 -13.6 26.8 -28.0 524 69 B I E < -p 497 0E 15 -3,-1.7 2,-0.3 -28,-0.2 -26,-0.2 -0.982 57.9-180.0-126.8 129.7 -13.1 27.0 -24.3 525 70 B Q E -p 498 0E 104 -28,-2.7 -26,-3.1 -2,-0.4 2,-0.4 -0.946 15.5-145.2-126.2 146.7 -15.9 27.4 -21.7 526 71 B L E -p 499 0E 43 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.917 11.1-170.2-114.5 138.1 -15.7 27.6 -17.9 527 72 B I E -p 500 0E 44 -28,-2.6 -26,-3.4 -2,-0.4 2,-0.5 -0.990 13.7-145.1-129.7 122.1 -18.3 26.2 -15.5 528 73 B D E -p 501 0E 69 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.761 13.4-146.6 -88.8 125.1 -18.3 27.0 -11.8 529 74 B L - 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0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.268 32.9-116.0 -61.5 149.6 8.2 14.5 -1.0 645 190 B D H >> S+ 0 0 52 190,-0.6 3,-1.7 1,-0.3 4,-1.4 0.882 113.5 65.3 -51.9 -41.3 6.9 15.2 2.6 646 191 B A H 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 11,-0.1 0.807 90.3 64.0 -53.6 -33.7 3.8 13.2 1.7 647 192 B C H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.788 113.0 33.6 -62.9 -27.9 5.8 10.0 1.3 648 193 B F H << S+ 0 0 15 -3,-1.7 2,-0.5 -4,-0.6 -1,-0.2 0.551 91.0 113.0-102.5 -13.5 6.8 10.1 5.0 649 194 B N <> - 0 0 35 -4,-1.4 5,-2.0 1,-0.2 3,-0.5 -0.478 40.5-176.5 -67.0 115.5 3.6 11.6 6.3 650 195 B K T 5S+ 0 0 143 -2,-0.5 -1,-0.2 1,-0.2 -108,-0.1 0.409 73.3 78.5 -90.7 1.5 1.8 9.1 8.4 651 196 B D T 5S- 0 0 78 -110,-0.2 -1,-0.2 -5,-0.0 -109,-0.1 0.038 130.7 -64.5 -96.5 24.2 -1.1 11.5 8.9 652 197 B G T >5S+ 0 0 4 -3,-0.5 4,-2.5 -6,-0.1 5,-0.2 0.181 109.6 106.8 117.6 -18.4 -2.6 10.8 5.4 653 198 B G H >5S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.948 85.5 41.1 -58.4 -53.9 0.1 12.0 3.1 654 199 B Y H > S+ 0 0 60 -6,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.903 108.0 50.0 -62.3 -42.9 -2.2 7.3 1.8 656 201 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.951 113.4 44.7 -61.1 -51.6 -3.2 10.2 -0.5 657 202 B Y H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.915 115.1 49.3 -58.8 -44.9 -0.3 9.6 -2.9 658 203 B Y H X S+ 0 0 37 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.927 109.7 50.6 -61.5 -46.8 -0.9 5.9 -2.8 659 204 B K H < S+ 0 0 92 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.883 116.3 41.1 -59.8 -41.6 -4.6 6.2 -3.6 660 205 B L H >< S+ 0 0 1 -4,-2.1 3,-1.9 -5,-0.2 4,-0.4 0.944 113.9 49.9 -72.8 -49.2 -4.0 8.5 -6.5 661 206 B A H >< S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.3 4,-0.5 0.837 98.2 70.3 -58.0 -35.0 -1.0 6.7 -8.0 662 207 B E T 3< S+ 0 0 103 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.683 102.2 45.0 -56.6 -20.3 -2.9 3.4 -7.8 663 208 B R T X S+ 0 0 59 -3,-1.9 3,-1.7 -4,-0.2 4,-0.5 0.469 83.9 95.3-104.6 -5.4 -5.2 4.8 -10.7 664 209 B F G X S+ 0 0 0 -3,-1.6 3,-1.4 -4,-0.4 -69,-0.1 0.900 84.5 50.6 -52.7 -47.4 -2.4 6.2 -13.0 665 210 B R G 3 S+ 0 0 36 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.534 101.0 65.8 -70.8 -6.5 -2.3 3.0 -15.1 666 211 B D G < S+ 0 0 79 -3,-1.7 -73,-0.3 28,-0.0 -1,-0.2 0.556 81.3 97.7 -91.6 -9.2 -6.0 3.1 -15.6 667 212 B T S < S- 0 0 7 -3,-1.4 -73,-0.2 -4,-0.5 3,-0.1 -0.413 79.7-126.1 -77.9 157.1 -6.0 6.3 -17.5 668 213 B K S S- 0 0 74 -75,-3.2 2,-0.3 1,-0.3 -74,-0.2 0.749 88.8 -10.2 -72.8 -25.2 -6.2 6.3 -21.3 669 214 B G E -r 594 0E 0 -76,-0.6 -74,-2.3 25,-0.2 2,-0.6 -0.952 62.8-126.8-170.3 152.6 -3.0 8.4 -21.5 670 215 B I E -rs 595 696E 0 25,-3.0 27,-3.0 -2,-0.3 2,-0.5 -0.943 21.1-161.4-114.3 116.8 -0.7 10.5 -19.3 671 216 B I E -rs 596 697E 3 -76,-3.3 -74,-3.2 -2,-0.6 2,-0.4 -0.831 11.1-168.0 -99.8 129.6 -0.1 14.1 -20.3 672 217 B V E -rs 597 698E 0 25,-3.0 2,-2.1 -2,-0.5 27,-1.9 -0.954 29.1-129.2-126.0 138.6 3.0 15.8 -18.8 673 218 B N S S+ 0 0 0 -76,-1.9 2,-0.3 -74,-0.7 25,-0.1 -0.537 79.9 85.0 -80.7 78.1 4.2 19.4 -18.7 674 219 B T - 0 0 0 -2,-2.1 26,-2.7 23,-0.1 2,-0.3 -0.928 69.5-114.5-160.9 177.3 7.7 18.6 -19.9 675 220 B F >> - 0 0 0 -2,-0.3 4,-2.1 24,-0.2 3,-1.4 -0.938 21.2-117.9-131.0 155.3 9.6 18.1 -23.2 676 221 B S H 3> S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.3 5,-0.3 0.901 111.3 57.8 -52.9 -50.6 11.4 15.2 -25.0 677 222 B D H 34 S+ 0 0 89 1,-0.2 -1,-0.3 217,-0.2 218,-0.1 0.736 113.4 43.9 -57.3 -18.8 14.9 16.8 -24.9 678 223 B L H <4 S+ 0 0 12 -3,-1.4 -2,-0.2 216,-0.1 -1,-0.2 0.911 134.9 1.6 -92.0 -49.4 14.5 17.0 -21.1 679 224 B E H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.1 3,-0.5 0.140 80.9 120.5-131.2 24.5 13.1 13.6 -20.1 680 225 B Q H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.870 80.4 55.0 -56.4 -37.8 12.6 11.3 -23.1 681 226 B S H > S+ 0 0 73 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.864 105.7 51.8 -66.0 -34.0 15.0 8.7 -21.6 682 227 B S H > S+ 0 0 1 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.912 109.8 50.2 -66.8 -40.2 12.8 8.6 -18.4 683 228 B I H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.909 111.2 48.4 -62.5 -42.8 9.8 8.0 -20.6 684 229 B D H X S+ 0 0 84 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.910 108.7 53.3 -64.7 -42.0 11.5 5.2 -22.4 685 230 B A H X S+ 0 0 39 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.905 107.9 52.3 -59.1 -42.7 12.7 3.6 -19.2 686 231 B L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 3,-0.3 0.923 110.2 45.7 -61.2 -47.4 9.1 3.6 -17.9 687 232 B Y H < S+ 0 0 88 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.955 113.1 51.0 -60.9 -47.7 7.7 1.8 -21.0 688 233 B D H < S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.733 113.0 47.5 -61.1 -23.6 10.5 -0.7 -20.9 689 234 B H H < S+ 0 0 111 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 0.788 123.5 18.3 -90.7 -30.0 9.8 -1.4 -17.3 690 235 B D >< - 0 0 19 -4,-2.0 3,-1.4 -3,-0.3 -1,-0.3 -0.873 51.1-164.7-149.7 113.6 6.0 -1.8 -17.3 691 236 B E T 3 S+ 0 0 191 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.648 87.7 71.5 -68.7 -16.1 3.8 -2.6 -20.3 692 237 B K T 3 S+ 0 0 123 2,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 0.582 72.6 105.1 -77.0 -9.8 0.7 -1.6 -18.3 693 238 B I S < S- 0 0 13 -3,-1.4 3,-0.1 -7,-0.2 -28,-0.1 -0.586 71.6-130.9 -74.9 122.8 1.6 2.1 -18.4 694 239 B P - 0 0 13 0, 0.0 -25,-0.2 0, 0.0 -26,-0.1 -0.155 43.5 -65.6 -66.9 169.6 -0.5 4.0 -20.9 695 240 B P - 0 0 58 0, 0.0 -25,-3.0 0, 0.0 2,-0.5 -0.228 49.5-142.1 -56.4 141.9 1.1 6.4 -23.5 696 241 B I E -s 670 0E 13 -27,-0.2 2,-0.6 -3,-0.1 -25,-0.2 -0.936 10.5-158.9-111.2 129.3 2.9 9.4 -22.1 697 242 B Y E -s 671 0E 16 -27,-3.0 -25,-3.0 -2,-0.5 2,-0.9 -0.931 4.8-158.0-114.1 115.9 2.6 12.7 -24.0 698 243 B A E +s 672 0E 9 -2,-0.6 -22,-0.3 -27,-0.2 210,-0.3 -0.814 26.8 157.8 -91.5 107.6 5.2 15.4 -23.3 699 244 B V + 0 0 1 -27,-1.9 -24,-0.2 -2,-0.9 -26,-0.2 0.196 37.5 151.3-117.5 14.7 3.5 18.6 -24.4 700 245 B G + 0 0 0 -26,-2.7 -24,-0.2 -28,-0.6 205,-0.2 -0.321 34.8 73.5 -97.9-174.8 5.4 21.3 -22.5 701 246 B P - 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