==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-JAN-02 1GU0 . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR A.W.ROSZAK,T.KRELL,D.ROBINSON,I.S.HUNTER,J.R.COGGINS, . 1788 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1319 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 268 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.3 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 . 11 0.6 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 . 89 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 293 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 560 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 8 0 0 1 10 1 0 0 0 2 34 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 0 12 18 18 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 6 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 0 0 0 6 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 R 0 0 130 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 114.3 49.6 72.1 19.4 2 3 A S > - 0 0 40 1,-0.1 4,-2.8 72,-0.0 71,-0.1 -0.391 360.0-105.5 -83.7 166.8 46.6 74.5 18.6 3 4 A L T 4 S+ 0 0 23 1,-0.2 46,-0.5 2,-0.2 5,-0.1 0.814 126.4 44.1 -61.5 -31.6 43.8 74.5 16.0 4 5 A A T 4 S+ 0 0 85 44,-0.1 -1,-0.2 1,-0.1 43,-0.0 0.782 114.0 51.2 -84.3 -26.3 45.7 77.3 14.2 5 6 A N T 4 S+ 0 0 125 1,-0.2 -2,-0.2 2,-0.0 -1,-0.1 0.883 121.4 5.1 -71.9 -47.0 49.0 75.4 14.6 6 7 A A S < S- 0 0 10 -4,-2.8 43,-0.3 43,-0.1 -1,-0.2 -0.967 76.7 -98.7-143.8 155.3 48.1 72.0 13.2 7 8 A P - 0 0 36 0, 0.0 66,-2.3 0, 0.0 2,-0.5 -0.253 33.3-112.7 -73.1 161.4 45.2 70.2 11.6 8 9 A I E -a 50 0A 0 41,-2.8 43,-2.0 64,-0.2 2,-0.4 -0.848 29.0-131.1 -87.0 132.1 42.7 67.9 13.2 9 10 A M E -ab 51 75A 0 65,-2.0 67,-3.0 -2,-0.5 2,-0.6 -0.651 18.8-168.5 -87.2 132.1 43.0 64.3 12.2 10 11 A I E -ab 52 76A 0 41,-2.8 43,-2.5 -2,-0.4 2,-0.4 -0.954 11.0-170.4-124.8 107.5 39.7 62.7 11.2 11 12 A L E -ab 53 77A 0 65,-2.7 67,-2.4 -2,-0.6 2,-0.4 -0.845 6.9-164.6-106.2 143.3 40.1 58.9 10.9 12 13 A N E -ab 54 78A 0 41,-1.0 43,-2.2 -2,-0.4 3,-0.1 -0.998 9.7-147.3-132.6 123.7 37.6 56.5 9.4 13 14 A G > - 0 0 1 65,-3.1 3,-0.9 -2,-0.4 4,-0.2 0.210 45.3 -33.3 -73.0-164.4 37.6 52.8 9.9 14 15 A P T 3 S+ 0 0 1 0, 0.0 67,-0.4 0, 0.0 -1,-0.2 -0.098 117.0 9.9 -64.9 147.5 36.5 49.9 7.6 15 16 A N T > S+ 0 0 18 1,-0.1 3,-2.2 -3,-0.1 4,-0.1 0.175 90.2 109.0 77.3 -17.0 33.7 49.9 5.2 16 17 A L G X + 0 0 19 -3,-0.9 3,-1.5 1,-0.3 16,-0.2 0.696 61.8 76.2 -70.3 -13.0 33.1 53.7 5.5 17 18 A N G 3 S+ 0 0 48 1,-0.2 -1,-0.3 -4,-0.2 15,-0.3 0.781 94.6 53.1 -57.6 -25.4 34.5 54.1 1.9 18 19 A L G X S+ 0 0 15 -3,-2.2 3,-2.4 13,-0.1 -1,-0.2 0.273 78.2 142.6 -97.4 11.1 31.1 52.8 0.8 19 20 A L T < S+ 0 0 39 -3,-1.5 13,-0.5 1,-0.3 -3,-0.1 -0.220 74.7 4.3 -56.2 135.3 29.1 55.2 2.8 20 21 A G T 3 S+ 0 0 16 11,-0.2 -1,-0.3 1,-0.1 11,-0.1 0.532 107.5 94.4 68.9 6.2 26.0 56.4 0.9 21 22 A Q S < S+ 0 0 97 -3,-2.4 -2,-0.1 2,-0.1 -1,-0.1 0.234 72.7 68.3-112.8 15.1 26.6 54.0 -2.0 22 23 A R S S- 0 0 61 6,-0.2 -3,-0.1 -4,-0.2 223,-0.0 0.718 113.2 -13.1 -98.0-103.4 24.5 51.2 -0.8 23 24 A Q >> - 0 0 33 5,-0.0 4,-2.4 2,-0.0 2,-2.0 -0.837 60.1-156.6-108.2 88.6 20.7 51.5 -0.6 24 25 A P B 34 S+j 27 0B 91 0, 0.0 4,-0.2 0, 0.0 5,-0.1 -0.527 89.3 48.5 -63.9 85.8 20.0 55.2 -1.0 25 26 A E T 34 S+ 0 0 99 -2,-2.0 4,-0.1 2,-1.4 3,-0.1 -0.105 117.6 31.3 171.8 -55.6 16.7 54.7 0.8 26 27 A I T <4 S+ 0 0 83 -3,-1.3 2,-0.2 2,-0.1 0, 0.0 0.761 127.3 39.1 -97.1 -37.2 17.4 52.8 4.0 27 28 A Y B < S-j 24 0B 122 -4,-2.4 -2,-1.4 1,-0.2 -8,-0.0 -0.653 103.8 -86.7-103.3 166.0 20.9 54.2 4.4 28 29 A G - 0 0 53 -2,-0.2 -1,-0.2 -4,-0.2 -6,-0.2 0.222 17.5-129.7 -61.4-171.7 21.8 57.8 3.7 29 30 A S S S+ 0 0 92 -5,-0.1 2,-0.1 -4,-0.1 -1,-0.1 0.464 73.3 109.1-117.3 -15.0 22.8 59.5 0.5 30 31 A D - 0 0 77 1,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.436 54.8-152.6 -71.0 141.1 25.8 61.3 2.0 31 32 A T > - 0 0 44 -11,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.568 34.4 -99.6-103.7 168.9 29.2 60.0 1.0 32 33 A L H > S+ 0 0 22 -13,-0.5 4,-2.7 -15,-0.3 5,-0.2 0.875 127.6 56.1 -55.9 -34.1 32.6 60.0 2.6 33 34 A A H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 104.0 52.3 -67.2 -39.1 33.2 63.1 0.5 34 35 A D H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.946 111.2 47.3 -59.5 -41.2 30.2 64.8 1.9 35 36 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 108.6 53.5 -63.9 -49.3 31.5 64.0 5.4 36 37 A E H X S+ 0 0 87 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.932 109.8 49.0 -50.9 -41.7 35.0 65.3 4.7 37 38 A A H X S+ 0 0 59 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.891 107.1 54.5 -70.5 -36.0 33.4 68.6 3.4 38 39 A L H X S+ 0 0 59 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.903 112.4 45.7 -60.8 -38.4 31.3 68.9 6.6 39 40 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.896 110.3 50.6 -71.7 -44.0 34.5 68.6 8.6 40 41 A V H X S+ 0 0 70 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 114.7 47.4 -60.4 -40.2 36.5 71.1 6.4 41 42 A K H X S+ 0 0 156 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.946 111.1 46.8 -67.9 -52.1 33.7 73.6 6.8 42 43 A A H X S+ 0 0 11 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.862 115.1 48.4 -61.3 -38.4 33.2 73.2 10.6 43 44 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-1.0 0.880 104.9 57.6 -69.0 -42.1 36.9 73.5 11.2 44 45 A A H ><5S+ 0 0 62 -4,-2.4 3,-2.1 3,-0.2 -1,-0.2 0.890 97.4 63.1 -53.6 -39.6 37.3 76.6 8.9 45 46 A A H 3<5S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.7 41.7 -54.5 -33.5 34.7 78.3 11.2 46 47 A H T <<5S- 0 0 89 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.083 124.0-104.1 -99.0 21.5 37.3 78.0 14.0 47 48 A G T < 5S+ 0 0 55 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.825 83.5 112.6 60.5 33.5 40.2 78.9 11.9 48 49 A G < - 0 0 10 -5,-2.8 2,-0.3 -8,-0.1 -1,-0.2 -0.726 52.2-135.2-129.3-176.2 41.5 75.4 11.5 49 50 A T - 0 0 82 -46,-0.5 -41,-2.8 -43,-0.3 2,-0.3 -0.852 10.9-138.6-133.9 165.7 42.0 72.5 9.1 50 51 A V E -a 8 0A 26 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.852 7.3-151.9-129.3 166.2 41.6 68.8 8.8 51 52 A D E -a 9 0A 42 -43,-2.0 -41,-2.8 -2,-0.3 2,-0.5 -0.945 27.4-162.4-141.0 107.5 43.4 65.9 7.5 52 53 A F E +a 10 0A 33 -2,-0.4 2,-0.3 -43,-0.2 -41,-0.2 -0.837 14.5 167.2-112.7 125.2 40.9 63.3 6.6 53 54 A R E -a 11 0A 38 -43,-2.5 -41,-1.0 -2,-0.5 2,-0.3 -0.935 17.9-164.9-139.4 155.2 41.6 59.6 6.1 54 55 A Q E +a 12 0A 50 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.993 14.6 165.6-137.5 143.3 39.9 56.3 5.7 55 56 A S - 0 0 5 -43,-2.2 -39,-0.2 -2,-0.3 -2,-0.0 -0.978 35.5-151.5-156.2 149.9 41.3 52.7 5.9 56 57 A N S S+ 0 0 7 -2,-0.3 2,-0.6 -42,-0.2 156,-0.1 0.305 77.5 92.0 -90.9 -6.8 40.1 49.1 6.2 57 58 A H > - 0 0 48 1,-0.1 4,-2.0 152,-0.1 3,-0.2 -0.884 61.4-155.9-106.3 123.1 43.4 48.2 8.0 58 59 A E H > S+ 0 0 10 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.841 95.9 49.4 -51.3 -48.4 43.8 48.2 11.8 59 60 A G H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.864 107.6 54.3 -69.9 -34.9 47.5 48.6 11.8 60 61 A E H > S+ 0 0 71 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 108.1 50.3 -64.6 -39.0 47.4 51.5 9.3 61 62 A L H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.906 109.0 51.9 -65.3 -41.1 44.9 53.2 11.7 62 63 A V H >X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-1.0 0.961 109.3 50.1 -52.7 -50.5 47.4 52.6 14.5 63 64 A D H 3X S+ 0 0 67 -4,-2.6 4,-1.9 1,-0.3 -2,-0.2 0.919 109.3 51.3 -59.8 -39.1 50.1 54.2 12.3 64 65 A W H 3X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.743 107.8 53.4 -68.2 -22.0 48.0 57.2 11.7 65 66 A I H X S+ 0 0 73 -4,-1.9 3,-1.6 -5,-0.2 4,-1.4 0.956 108.0 49.1 -64.1 -50.2 51.3 60.2 13.4 68 69 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.825 99.9 68.1 -57.0 -34.5 48.6 62.4 14.9 69 70 A R H 3< S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.818 113.3 27.1 -59.0 -34.0 50.2 62.2 18.2 70 71 A L H << S+ 0 0 113 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.617 133.0 30.6-104.6 -12.8 53.2 64.2 17.0 71 72 A N H < S+ 0 0 94 -4,-1.4 2,-0.3 -5,-0.1 -3,-0.2 0.432 103.6 62.0-129.9 -3.2 51.7 66.3 14.3 72 73 A H < - 0 0 6 -4,-2.1 -64,-0.2 -5,-0.2 3,-0.1 -0.815 64.0-132.1-130.4 167.2 48.0 67.2 14.9 73 74 A C S S- 0 0 3 -66,-2.3 2,-0.3 -2,-0.3 -65,-0.2 0.519 81.9 -16.5-101.7 -3.2 45.9 69.0 17.5 74 75 A G - 0 0 0 -67,-0.5 -65,-2.0 25,-0.1 2,-0.4 -0.944 60.6-118.6 179.7 171.1 43.1 66.4 18.1 75 76 A I E -bc 9 101A 0 25,-1.6 27,-2.3 -2,-0.3 2,-0.5 -0.989 11.3-168.8-135.4 123.7 41.5 63.2 16.6 76 77 A V E -bc 10 102A 0 -67,-3.0 -65,-2.7 -2,-0.4 2,-0.5 -0.950 26.7-172.6-100.2 126.9 38.0 62.7 15.5 77 78 A I E -bc 11 103A 1 25,-2.4 27,-2.6 -2,-0.5 -65,-0.2 -0.975 33.5-177.6-136.6 131.0 37.6 59.0 15.0 78 79 A N E +b 12 0A 5 -67,-2.4 -65,-3.1 -2,-0.5 3,-0.1 -0.880 13.4 178.5-114.4 94.9 35.0 56.7 13.6 79 80 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.607 16.0-173.3 -76.8 -7.9 36.6 53.3 14.2 80 81 A A G > - 0 0 19 24,-0.4 3,-1.8 1,-0.3 4,-0.5 -0.225 68.5 -0.6 46.6-126.0 33.5 51.5 12.7 81 82 A A G > S+ 0 0 0 -67,-0.4 3,-1.2 1,-0.3 4,-0.4 0.812 128.7 64.1 -69.7 -27.5 33.9 47.8 13.2 82 83 A Y G X> S+ 0 0 2 -3,-1.6 4,-2.6 1,-0.3 3,-0.7 0.682 84.3 78.9 -67.7 -15.7 37.3 48.0 14.9 83 84 A S G <4 S+ 0 0 0 -3,-1.8 37,-2.8 -4,-0.3 38,-0.5 0.928 99.9 40.0 -54.0 -41.9 35.5 49.9 17.7 84 85 A H G <4 S+ 0 0 20 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.544 128.8 26.2 -87.0 -3.5 34.3 46.5 18.9 85 86 A T T <4 S+ 0 0 21 -3,-0.7 2,-1.1 -4,-0.4 3,-0.2 0.602 91.1 99.1-132.0 -14.4 37.3 44.5 18.3 86 87 A S X + 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.2 -0.579 19.8 158.6-100.0 89.7 40.5 46.6 18.4 87 88 A V H > S+ 0 0 0 -2,-1.1 4,-2.8 294,-0.2 5,-0.2 0.875 82.1 64.3 -64.8 -25.7 42.5 46.7 21.6 88 89 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 100.9 46.9 -72.3 -31.7 45.3 47.9 19.3 89 90 A I H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 112.0 52.0 -74.7 -36.1 43.6 51.1 18.4 90 91 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.944 109.9 47.5 -61.7 -47.7 42.7 51.7 22.1 91 92 A D H X S+ 0 0 25 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.876 110.5 54.4 -62.3 -33.3 46.4 51.2 23.1 92 93 A A H >< S+ 0 0 0 -4,-1.7 3,-1.2 -5,-0.2 4,-0.3 0.961 108.4 46.6 -64.5 -50.7 47.4 53.5 20.2 93 94 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.782 104.2 64.4 -57.0 -32.3 45.0 56.3 21.5 94 95 A N H 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.716 93.5 60.9 -70.0 -20.1 46.4 55.7 25.0 95 96 A T T << S+ 0 0 10 -3,-1.2 2,-1.4 -4,-0.8 -1,-0.3 0.674 84.3 85.9 -81.0 -7.3 49.9 56.9 23.8 96 97 A C X - 0 0 2 -3,-1.2 3,-2.2 -4,-0.3 -1,-0.2 -0.353 69.6-170.3 -87.9 53.1 48.4 60.2 23.0 97 98 A D T 3 S+ 0 0 92 -2,-1.4 -2,-0.1 1,-0.3 -3,-0.0 -0.204 70.6 4.5 -45.6 128.3 48.7 61.8 26.4 98 99 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.465 97.0 129.0 75.7 2.7 46.9 65.1 26.6 99 100 A L < - 0 0 11 -3,-2.2 -1,-0.2 -6,-0.2 -25,-0.1 -0.797 59.8-122.9 -97.2 126.8 45.4 64.8 23.1 100 101 A P - 0 0 17 0, 0.0 -25,-1.6 0, 0.0 2,-0.4 -0.404 30.9-173.9 -68.6 142.4 41.7 65.3 22.8 101 102 A V E -c 75 0A 0 -27,-0.2 25,-2.5 23,-0.2 26,-1.3 -0.999 10.4-173.5-141.7 128.9 39.8 62.5 21.2 102 103 A V E -cd 76 127A 0 -27,-2.3 -25,-2.4 -2,-0.4 2,-0.3 -0.978 14.0-147.5-126.6 127.7 36.2 62.2 20.2 103 104 A E E -cd 77 128A 0 24,-2.5 26,-2.6 -2,-0.4 2,-0.4 -0.644 15.1-165.8 -89.2 135.6 34.6 59.0 18.9 104 105 A V E - d 0 129A 0 -27,-2.6 2,-0.4 -2,-0.3 -24,-0.4 -0.991 10.9-177.7-127.3 135.3 31.8 59.3 16.3 105 106 A H E - d 0 130A 8 24,-2.1 26,-1.1 -2,-0.4 27,-0.7 -0.999 16.4-153.6-131.9 125.4 29.3 56.6 15.3 106 107 A I S S+ 0 0 40 -2,-0.4 27,-1.6 24,-0.2 2,-0.2 0.933 80.4 46.6 -62.8 -49.4 26.8 57.5 12.6 107 108 A S S S- 0 0 43 24,-0.1 2,-1.4 25,-0.1 24,-1.1 -0.507 99.6 -98.7 -94.3 163.8 24.2 55.0 13.6 108 109 A N > - 0 0 10 22,-0.2 3,-2.9 23,-0.2 4,-0.3 -0.643 36.4-171.3 -81.7 88.3 22.9 54.5 17.2 109 110 A I G > S+ 0 0 8 -2,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.799 77.8 70.6 -54.7 -25.8 25.0 51.4 18.1 110 111 A H G 3 S+ 0 0 36 1,-0.3 -1,-0.3 -3,-0.1 7,-0.1 0.631 96.9 52.6 -70.4 -2.6 22.9 50.9 21.3 111 112 A Q G < S+ 0 0 101 -3,-2.9 -1,-0.3 5,-0.1 -2,-0.2 0.412 102.5 71.8-107.0 0.2 20.0 49.9 19.1 112 113 A R S < S- 0 0 101 -3,-1.9 5,-0.1 1,-0.3 -3,-0.0 -0.184 100.0 -37.7-102.7-167.2 21.8 47.3 17.2 113 114 A E >> - 0 0 56 1,-0.1 3,-2.0 -2,-0.1 4,-0.5 -0.183 58.9-111.5 -51.9 148.6 23.1 43.9 18.1 114 115 A P G >4 S+ 0 0 105 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.750 114.5 63.3 -52.0 -35.3 24.6 43.4 21.6 115 116 A F G >4 S+ 0 0 46 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.741 101.1 55.3 -67.9 -15.9 28.2 42.9 20.2 116 117 A R G <4 S+ 0 0 4 -3,-2.0 -1,-0.3 1,-0.2 -6,-0.1 0.717 86.9 80.1 -85.9 -17.4 27.9 46.5 19.0 117 118 A H G << S+ 0 0 79 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.2 0.664 86.2 63.8 -65.8 -18.6 27.1 47.9 22.4 118 119 A H < - 0 0 86 -3,-0.5 2,-0.4 -4,-0.3 3,-0.1 -0.874 60.8-173.7-113.1 136.5 30.7 47.9 23.7 119 120 A S - 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0 0 16 -3,-2.1 -1,-0.2 -6,-0.1 2,-0.2 -0.568 57.8-118.9 -82.2 135.9 23.7 30.4 69.3 1750 101 L P - 0 0 16 0, 0.0 -25,-2.6 0, 0.0 2,-0.4 -0.475 33.8-178.1 -75.3 141.1 24.0 34.1 68.4 1751 102 L V E -m 1725 0H 0 -27,-0.2 25,-1.9 -2,-0.2 26,-1.3 -0.999 11.3-172.9-141.8 132.6 26.6 35.2 65.9 1752 103 L V E -mn17261777H 0 -27,-2.7 -25,-2.1 -2,-0.4 2,-0.3 -0.989 12.8-151.0-132.2 126.6 27.6 38.6 64.7 1753 104 L E E -mn17271778H 0 24,-2.5 26,-2.7 -2,-0.4 2,-0.4 -0.712 14.7-166.9 -98.3 140.5 30.1 39.0 61.8 1754 105 L V E - n 01779H 0 -27,-1.8 2,-0.4 -2,-0.3 26,-0.2 -0.999 10.8-169.4-137.0 129.9 32.1 42.2 61.8 1755 106 L H E - n 01780H 9 24,-3.3 26,-1.7 -2,-0.4 27,-0.8 -0.979 14.3-152.6-118.0 131.2 34.3 43.7 59.1 1756 107 L I S S+ 0 0 45 -2,-0.4 27,-1.7 24,-0.2 2,-0.2 0.950 84.3 41.9 -68.1 -48.7 36.6 46.7 59.8 1757 108 L S S S- 0 0 45 24,-0.1 2,-1.2 25,-0.1 24,-0.9 -0.552 100.8 -99.4 -93.4 161.6 36.5 48.1 56.3 1758 109 L N > - 0 0 6 22,-0.2 3,-2.9 23,-0.2 4,-0.2 -0.688 35.5-167.7 -83.1 94.9 33.4 48.4 54.1 1759 110 L I G > S+ 0 0 8 -2,-1.2 3,-2.6 1,-0.3 -1,-0.2 0.835 80.1 72.5 -58.6 -32.4 34.0 45.3 52.0 1760 111 L H G 3 S+ 0 0 29 1,-0.3 -1,-0.3 -3,-0.1 7,-0.1 0.640 95.0 52.9 -56.1 -15.7 31.3 46.5 49.7 1761 112 L Q G < S+ 0 0 97 -3,-2.9 -1,-0.3 5,-0.1 -2,-0.2 0.428 102.0 71.8 -98.6 -1.0 33.7 49.2 48.4 1762 113 L R S < S- 0 0 107 -3,-2.6 5,-0.1 1,-0.3 -3,-0.0 -0.211 99.8 -35.8-100.7-167.9 36.5 46.9 47.6 1763 114 L E > - 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0 0 0 -4,-3.1 -23,-0.2 1,-0.1 3,-0.1 -0.241 65.2-144.6 -57.6 138.5 25.5 35.3 61.0 1776 127 L D S S+ 0 0 66 -25,-1.9 2,-0.3 1,-0.2 -24,-0.2 0.879 85.9 11.5 -71.5 -33.5 22.5 36.9 62.7 1777 128 L G E - n 01752H 0 -26,-1.3 -24,-2.5 -1045,-0.1 2,-0.4 -0.964 66.0-154.1-144.0 156.9 24.0 40.2 62.0 1778 129 L V E -Jn 7301753H 5 -1048,-2.8 -1048,-2.4 -2,-0.3 2,-0.5 -1.000 7.7-168.5-135.2 127.8 26.8 41.7 59.9 1779 130 L V E +Jn 7291754H 0 -26,-2.7 -24,-3.3 -2,-0.4 2,-0.4 -0.985 13.3 175.6-124.7 128.0 28.6 44.8 60.7 1780 131 L A E +Jn 7281755H 2 -1052,-2.4 -1052,-2.1 -2,-0.5 -22,-0.2 -0.967 54.1 5.5-137.4 139.1 30.9 46.4 58.1 1781 132 L G S S+ 0 0 8 -26,-1.7 -23,-0.2 -24,-0.9 -25,-0.2 0.759 83.1 117.1 68.1 17.7 33.1 49.6 57.7 1782 133 L C S > S- 0 0 0 -27,-0.8 3,-0.6 1,-0.3 4,-0.4 0.168 73.5-129.7 -96.2 20.6 32.3 50.8 61.2 1783 134 L G T > - 0 0 16 -27,-1.7 3,-1.5 1,-0.2 4,-0.4 -0.178 59.1 -37.1 65.5-160.9 36.0 50.6 62.2 1784 135 L V T >> S+ 0 0 24 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.715 132.6 76.6 -72.6 -14.4 37.1 48.8 65.3 1785 136 L Q H X> S+ 0 0 45 -3,-0.6 4,-1.9 1,-0.2 3,-1.0 0.846 78.5 72.8 -60.3 -30.6 34.0 50.3 66.8 1786 137 L G H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.2 0.880 90.0 58.9 -52.6 -33.7 32.1 47.5 64.9 1787 138 L Y H <> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.4 -1,-0.3 0.859 103.4 51.4 -61.7 -37.7 33.5 45.0 67.4 1788 139 L V H