==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-JUN-06 2HCU . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDRATASE SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR Z.Q.GAO,H.F.HOU,L.F.LI,Y.H.LIANG,X.D.SU,Y.H.DONG . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 2 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 ANTIPARALLEL 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 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 -4 A M 0 0 26 0, 0.0 93,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 171.2 -31.3 35.5 -3.3 2 -3 A G + 0 0 12 38,-0.1 38,-0.1 3,-0.1 37,-0.1 0.165 360.0 106.4 174.3 -39.8 -32.5 35.5 -6.9 3 -2 A R - 0 0 151 1,-0.2 3,-0.1 36,-0.1 117,-0.1 0.749 51.0-160.0 -39.2 -52.9 -30.5 37.8 -9.1 4 -1 A G + 0 0 24 1,-0.3 2,-0.2 115,-0.2 -1,-0.2 0.500 49.5 148.1 63.9 8.4 -28.5 35.3 -11.2 5 0 A S - 0 0 33 1,-0.1 2,-0.6 115,-0.1 -1,-0.3 -0.531 56.0-115.5 -75.0 137.0 -26.5 38.5 -11.4 6 1 A M - 0 0 11 -2,-0.2 2,-0.3 169,-0.2 171,-0.2 -0.674 32.8-163.8 -75.9 117.3 -22.7 38.4 -11.8 7 2 A E - 0 0 49 -2,-0.6 169,-0.1 111,-0.3 114,-0.1 -0.798 27.9 -99.1-101.6 148.5 -21.0 39.9 -8.7 8 3 A E - 0 0 127 -2,-0.3 2,-0.4 167,-0.1 165,-0.2 -0.360 37.2-176.4 -70.3 133.9 -17.4 41.0 -8.8 9 4 A F + 0 0 9 163,-2.3 3,-0.1 165,-0.3 113,-0.0 -0.953 26.0 134.0-132.6 116.1 -14.9 38.6 -7.2 10 5 A T S S- 0 0 37 -2,-0.4 138,-2.9 1,-0.3 139,-0.5 0.603 76.5 -5.7-119.4 -71.7 -11.3 39.7 -7.0 11 6 A I E -A 147 0A 86 136,-0.2 2,-0.4 137,-0.1 -1,-0.3 -0.996 67.7-176.8-127.7 131.4 -9.8 39.0 -3.5 12 7 A Y E -A 146 0A 60 134,-2.7 134,-3.0 -2,-0.4 2,-0.4 -0.998 7.8-167.4-131.7 138.8 -11.9 37.8 -0.6 13 8 A T E +A 145 0A 61 -2,-0.4 2,-0.3 132,-0.2 132,-0.2 -0.987 26.7 128.2-121.4 131.7 -11.0 37.1 3.0 14 9 A G E -A 144 0A 10 130,-2.2 130,-2.5 -2,-0.4 2,-0.2 -0.932 51.7 -90.0-157.9-173.1 -13.1 35.2 5.6 15 10 A T E -A 143 0A 30 58,-0.4 60,-2.6 -2,-0.3 61,-1.4 -0.653 41.7-126.0-106.0 167.7 -13.1 32.4 8.1 16 11 A T E -d 76 0B 3 126,-0.5 61,-0.2 123,-0.3 57,-0.1 -0.640 14.8-162.1-116.9 161.6 -14.0 28.8 7.3 17 12 A V E -d 77 0B 1 59,-1.8 61,-2.8 -2,-0.2 2,-0.4 -0.982 19.1-141.8-140.7 130.8 -16.3 26.0 8.5 18 13 A P E +d 78 0B 17 0, 0.0 2,-0.2 0, 0.0 61,-0.2 -0.820 27.6 163.3 -95.1 137.9 -15.7 22.3 7.6 19 14 A L E -d 79 0B 17 59,-3.1 61,-0.6 -2,-0.4 -2,-0.0 -0.729 15.6-175.3-146.7 93.2 -18.5 19.9 6.7 20 15 A M + 0 0 57 59,-0.3 61,-0.2 -2,-0.2 59,-0.1 0.297 30.6 129.9 -92.8 13.3 -16.6 17.1 5.1 21 16 A N - 0 0 79 59,-0.2 59,-1.3 1,-0.1 3,-0.5 -0.316 53.2-126.6 -67.7 142.1 -19.4 14.8 3.9 22 17 A D S S+ 0 0 87 1,-0.2 60,-0.2 58,-0.2 3,-0.2 -0.482 84.4 22.0 -77.0 156.8 -19.5 13.5 0.4 23 18 A N + 0 0 89 58,-2.3 2,-1.4 1,-0.2 -1,-0.2 0.824 63.1 175.8 55.1 41.7 -22.5 13.9 -1.8 24 19 A I - 0 0 0 57,-0.5 60,-3.1 -3,-0.5 -1,-0.2 -0.649 27.4-158.3 -70.4 96.3 -24.2 16.8 -0.1 25 20 A D >> - 0 0 52 -2,-1.4 4,-2.2 59,-0.2 3,-0.8 -0.230 29.1 -99.3 -83.6 167.8 -27.0 17.0 -2.7 26 21 A T H 3> S+ 0 0 2 59,-2.1 4,-2.6 1,-0.3 60,-0.1 0.767 122.0 58.8 -56.2 -29.7 -29.2 19.9 -3.7 27 22 A D H 34 S+ 0 0 79 2,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.875 108.1 44.4 -68.2 -38.7 -32.0 18.3 -1.6 28 23 A Q H <4 S+ 0 0 59 -3,-0.8 22,-0.3 1,-0.2 23,-0.2 0.919 114.8 49.7 -70.3 -43.9 -29.9 18.4 1.5 29 24 A I H < S+ 0 0 0 -4,-2.2 19,-2.3 1,-0.3 20,-0.4 0.939 135.3 3.8 -60.1 -49.0 -28.7 22.0 0.7 30 25 A L S < S- 0 0 0 -4,-2.6 -1,-0.3 17,-0.2 -2,-0.1 -0.830 84.3-130.5-144.0 99.1 -32.3 23.3 0.1 31 26 A P > - 0 0 14 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.106 24.1-114.9 -50.7 144.8 -35.3 20.9 0.7 32 27 A K G > S+ 0 0 146 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.783 108.4 69.0 -55.9 -32.7 -37.9 20.7 -2.0 33 28 A Q G > S+ 0 0 115 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.746 92.9 60.5 -58.0 -25.7 -40.7 22.2 0.0 34 29 A F G X S+ 0 0 13 -3,-2.0 3,-1.6 1,-0.2 -1,-0.3 0.547 80.7 81.8 -81.8 -7.8 -38.9 25.6 -0.1 35 30 A L G < S+ 0 0 55 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.526 76.4 75.9 -73.0 -6.3 -39.0 25.8 -3.9 36 31 A K G < S+ 0 0 185 -3,-0.8 2,-0.3 -4,-0.2 -1,-0.3 0.640 79.2 95.3 -72.6 -16.9 -42.6 27.1 -3.4 37 32 A L S < S- 0 0 49 -3,-1.6 -3,-0.0 1,-0.1 6,-0.0 -0.611 80.1-119.2 -85.2 137.0 -41.0 30.4 -2.4 38 33 A I > - 0 0 114 -2,-0.3 3,-1.8 1,-0.1 -1,-0.1 -0.192 30.8-106.7 -66.2 158.4 -40.6 33.2 -4.8 39 34 A D T 3 S+ 0 0 87 1,-0.3 -36,-0.1 -37,-0.1 -1,-0.1 0.553 112.9 69.7 -78.7 -1.5 -37.0 34.5 -5.5 40 35 A K T 3 S+ 0 0 84 -38,-0.1 -1,-0.3 2,-0.1 -38,-0.1 0.629 83.2 95.4 -79.8 -18.8 -37.4 37.7 -3.6 41 36 A K S < S- 0 0 108 -3,-1.8 2,-0.4 -40,-0.1 -4,-0.0 -0.277 85.0-109.5 -69.2 156.5 -37.5 35.6 -0.3 42 37 A G - 0 0 38 1,-0.1 53,-0.1 -40,-0.0 -1,-0.1 -0.753 28.9-175.1 -81.2 135.1 -34.4 35.0 1.8 43 38 A F >> + 0 0 0 -2,-0.4 3,-1.5 51,-0.3 4,-0.5 0.492 59.1 96.0-105.2 -6.5 -33.2 31.4 1.6 44 39 A G G >4 S+ 0 0 10 1,-0.3 3,-1.2 2,-0.2 55,-0.1 0.856 79.9 56.2 -51.8 -40.9 -30.4 31.6 4.2 45 40 A K G 34 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.704 106.3 51.7 -69.2 -17.5 -32.6 30.3 7.0 46 41 A Y G X4 S+ 0 0 34 -3,-1.5 3,-1.9 2,-0.1 -1,-0.3 0.514 77.6 125.9 -95.8 -7.5 -33.4 27.1 5.0 47 42 A L T << S- 0 0 0 -3,-1.2 -17,-0.2 -4,-0.5 -18,-0.1 -0.318 90.5 -7.9 -55.7 128.4 -29.9 26.2 4.2 48 43 A M T >> S+ 0 0 4 -19,-2.3 4,-1.8 -20,-0.2 3,-1.6 0.765 86.6 174.0 55.9 28.4 -29.1 22.6 5.3 49 44 A Y H <> + 0 0 11 -3,-1.9 4,-1.7 -20,-0.4 -2,-0.1 0.740 68.1 48.1 -36.0 -49.4 -32.5 22.6 7.0 50 45 A E H 34 S+ 0 0 129 -22,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.786 117.6 41.1 -74.2 -28.9 -32.5 18.9 8.1 51 46 A W H <4 S+ 0 0 62 -3,-1.6 -1,-0.2 -23,-0.2 -2,-0.2 0.761 117.4 49.9 -76.9 -28.0 -29.0 19.0 9.5 52 47 A R H < S+ 0 0 26 -4,-1.8 9,-2.7 -5,-0.1 2,-0.3 0.682 106.6 45.4 -94.5 -29.2 -29.5 22.4 11.1 53 48 A Y B < -G 60 0C 23 -4,-1.7 7,-0.2 7,-0.3 3,-0.1 -0.857 56.7-150.2-122.2 156.0 -32.8 22.2 13.1 54 49 A L S S- 0 0 104 5,-2.7 2,-0.3 -2,-0.3 6,-0.1 0.626 80.6 -0.1 -93.7 -23.4 -34.4 19.7 15.4 55 50 A D S > S- 0 0 64 4,-0.6 3,-0.7 0, 0.0 6,-0.1 -0.834 86.5 -82.0-151.0-171.8 -38.0 20.4 14.6 56 51 A N T 3 S+ 0 0 121 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 0.277 113.0 73.5 -89.8 9.2 -40.3 22.5 12.5 57 52 A N T 3 S- 0 0 139 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.078 113.3-105.1-106.4 17.0 -40.0 25.5 14.9 58 53 A Y < + 0 0 96 -3,-0.7 2,-0.5 1,-0.2 -2,-0.1 0.688 60.2 163.9 64.7 22.0 -36.4 26.5 14.0 59 54 A T - 0 0 66 1,-0.1 -5,-2.7 -4,-0.0 -4,-0.6 -0.604 40.9-120.4 -68.2 122.0 -35.0 25.0 17.2 60 55 A E B -G 53 0C 82 -2,-0.5 -7,-0.3 -7,-0.2 -8,-0.1 -0.381 10.2-123.5 -71.7 141.7 -31.3 24.8 16.3 61 56 A N > - 0 0 35 -9,-2.7 3,-1.4 1,-0.1 6,-0.2 -0.796 19.4-154.7 -77.3 113.4 -29.5 21.5 16.4 62 57 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.632 90.9 59.1 -74.2 -7.8 -26.7 22.2 18.8 63 58 A D T 3 S+ 0 0 137 -12,-0.1 2,-0.4 5,-0.0 -11,-0.1 0.623 78.6 102.1 -91.6 -12.1 -24.6 19.5 17.2 64 59 A F S X> S- 0 0 10 -3,-1.4 3,-2.0 -12,-0.2 4,-0.7 -0.584 71.7-138.5 -79.2 123.9 -24.6 21.0 13.7 65 60 A I G >4 S+ 0 0 39 -2,-0.4 3,-0.8 1,-0.3 6,-0.2 0.764 98.7 62.2 -54.7 -34.0 -21.3 22.7 13.1 66 61 A F G 34 S+ 0 0 2 1,-0.2 -1,-0.3 -49,-0.1 8,-0.1 0.765 104.0 51.5 -61.7 -29.3 -22.8 25.8 11.4 67 62 A N G <4 S+ 0 0 9 -3,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 0.643 82.0 114.4 -83.8 -15.0 -24.6 26.6 14.6 68 63 A Q S XX S- 0 0 48 -3,-0.8 3,-2.8 -4,-0.7 4,-0.6 -0.306 77.0-120.0 -63.2 135.2 -21.4 26.4 16.8 69 64 A P G >4 S+ 0 0 105 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.824 109.8 51.2 -48.3 -42.5 -20.5 29.7 18.3 70 65 A E G 34 S+ 0 0 100 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.583 113.4 45.8 -71.6 -11.9 -17.1 30.0 16.7 71 66 A Y G X4 S+ 0 0 27 -3,-2.8 3,-1.7 -6,-0.2 -1,-0.2 0.389 76.0 102.3-113.5 1.7 -18.5 29.3 13.2 72 67 A R T << S+ 0 0 109 -3,-1.1 -1,-0.1 -4,-0.6 -2,-0.1 0.603 89.8 40.6 -74.5 -7.6 -21.6 31.5 13.0 73 68 A E T 3 S+ 0 0 171 -3,-0.2 -58,-0.4 -4,-0.2 -1,-0.3 0.223 82.5 135.0-117.6 13.3 -19.8 34.1 10.8 74 69 A A < + 0 0 6 -3,-1.7 -58,-0.2 -8,-0.1 3,-0.1 -0.334 26.4 177.2 -59.0 142.5 -17.9 31.6 8.6 75 70 A S + 0 0 10 -60,-2.6 27,-2.8 1,-0.2 28,-1.6 0.233 60.9 70.7-134.5 2.5 -18.1 32.5 4.8 76 71 A I E -de 16 103B 2 -61,-1.4 -59,-1.8 25,-0.2 2,-0.4 -0.981 68.7-155.9-131.6 117.7 -15.9 29.9 3.4 77 72 A L E -de 17 104B 1 26,-2.4 28,-2.9 -2,-0.5 2,-0.5 -0.811 3.8-160.9-100.1 129.9 -17.2 26.3 3.4 78 73 A I E +de 18 105B 2 -61,-2.8 -59,-3.1 -2,-0.4 2,-0.2 -0.968 28.7 156.4-105.7 124.0 -14.9 23.3 3.2 79 74 A T E -d 19 0B 0 26,-2.7 -59,-0.3 -2,-0.5 -57,-0.1 -0.722 34.9 -99.0-132.3-172.0 -16.6 20.1 2.1 80 75 A G - 0 0 1 -59,-1.3 27,-2.3 -61,-0.6 28,-0.7 0.146 59.3 -43.2 -87.6-155.2 -16.3 16.7 0.5 81 76 A D S S+ 0 0 66 -61,-0.2 -58,-2.3 26,-0.2 -57,-0.5 -0.371 110.3 12.1 -72.9 147.7 -16.8 15.3 -2.9 82 77 A N S > S- 0 0 53 1,-0.2 3,-1.0 -60,-0.2 2,-0.5 0.853 73.0-172.0 58.8 50.0 -19.6 16.0 -5.2 83 78 A F B 3 +h 109 0D 3 25,-2.8 27,-1.8 -3,-0.4 -1,-0.2 -0.612 67.3 10.8 -80.5 126.0 -21.2 18.9 -3.5 84 79 A G T 3 S+ 0 0 3 -60,-3.1 29,-0.4 -2,-0.5 -1,-0.2 0.665 85.7 144.1 83.6 19.5 -24.5 20.0 -5.0 85 80 A A < + 0 0 23 -3,-1.0 -59,-2.1 -61,-0.2 2,-0.2 -0.210 37.6 53.7 -76.0 173.9 -25.2 17.0 -7.3 86 81 A G S S+ 0 0 62 -61,-0.2 27,-0.1 -60,-0.1 3,-0.1 -0.639 97.0 17.7 103.1-155.9 -28.7 15.7 -7.9 87 82 A S S S- 0 0 81 -2,-0.2 2,-0.1 1,-0.1 -61,-0.1 -0.310 86.2-107.7 -55.5 128.9 -31.9 17.6 -9.0 88 83 A S + 0 0 86 -62,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.374 50.2 165.1 -56.7 126.5 -31.0 21.0 -10.6 89 84 A R >> - 0 0 18 -5,-0.2 3,-2.0 -2,-0.1 4,-0.6 -0.690 26.7-173.8-157.8 88.1 -32.0 23.6 -8.1 90 85 A E H >> S+ 0 0 70 1,-0.3 4,-1.5 -2,-0.2 3,-0.7 0.809 86.1 71.1 -55.3 -34.0 -30.8 27.2 -8.5 91 86 A H H 3> S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.630 86.6 66.2 -52.1 -25.3 -32.4 27.9 -5.1 92 87 A A H <> S+ 0 0 0 -3,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.893 102.2 45.5 -69.7 -42.8 -29.7 25.8 -3.5 93 88 A A H S+ 0 0 2 -4,-1.9 5,-2.1 2,-0.2 4,-1.5 0.928 118.0 43.5 -61.7 -48.8 -25.8 29.2 0.4 97 92 A A H <5S+ 0 0 21 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.936 113.8 50.2 -60.9 -52.2 -25.3 32.8 -0.8 98 93 A D H <5S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.853 107.6 54.3 -57.9 -40.4 -28.1 34.3 1.4 99 94 A Y H <5S- 0 0 53 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.894 128.1 -99.9 -57.0 -43.7 -26.7 32.4 4.4 100 95 A G T <5 + 0 0 31 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.485 69.0 146.6 133.5 9.5 -23.3 34.2 3.7 101 96 A F < + 0 0 1 -5,-2.1 -1,-0.3 1,-0.2 -25,-0.2 -0.573 12.0 168.3 -73.8 133.0 -21.0 31.8 1.8 102 97 A K + 0 0 48 -27,-2.8 21,-3.3 1,-0.3 2,-0.4 0.505 68.1 31.5-114.7 -24.0 -18.7 33.4 -0.7 103 98 A V E -ef 76 123B 0 -28,-1.6 -26,-2.4 19,-0.2 2,-0.4 -1.000 58.8-168.8-141.0 137.6 -16.5 30.5 -1.4 104 99 A I E -ef 77 124B 0 19,-2.2 21,-4.1 -2,-0.4 2,-0.6 -0.995 5.2-163.9-126.3 130.0 -16.9 26.7 -1.4 105 100 A V E +ef 78 125B 3 -28,-2.9 -26,-2.7 -2,-0.4 21,-0.2 -0.942 27.5 150.8-115.2 116.3 -13.9 24.3 -1.6 106 101 A A E - f 0 126B 0 19,-2.9 21,-2.5 -2,-0.6 -25,-0.2 -0.616 58.3-109.8-129.0 178.8 -14.9 20.7 -2.5 107 102 A G S S- 0 0 15 -27,-2.3 2,-0.3 1,-0.5 -26,-0.2 0.757 98.2 -33.4 -76.1 -35.2 -13.7 17.6 -4.2 108 103 A S - 0 0 38 -28,-0.7 -25,-2.8 17,-0.1 -1,-0.5 -0.948 63.6-134.6-174.4 169.9 -16.1 18.2 -7.0 109 104 A F B -h 83 0D 15 -27,-0.3 -25,-0.2 -2,-0.3 2,-0.2 -0.946 32.6 -89.5-132.4 155.6 -19.5 19.7 -7.6 110 105 A G > - 0 0 9 -27,-1.8 4,-2.8 -2,-0.3 5,-0.2 -0.480 45.1-123.1 -56.4 139.1 -22.7 19.0 -9.4 111 106 A D H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.913 108.4 38.6 -59.9 -51.7 -22.3 20.6 -13.0 112 107 A I H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 114.6 54.4 -64.5 -43.8 -25.4 22.8 -12.8 113 108 A H H > S+ 0 0 3 -29,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.891 104.0 55.9 -59.8 -44.7 -24.9 23.7 -9.2 114 109 A Y H X S+ 0 0 49 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.931 111.9 42.7 -47.2 -54.4 -21.3 24.8 -10.0 115 110 A N H X S+ 0 0 61 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.884 111.9 54.4 -60.6 -42.7 -22.7 27.3 -12.6 116 111 A N H < S+ 0 0 21 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.855 108.8 49.1 -60.5 -42.0 -25.5 28.4 -10.2 117 112 A D H ><>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-1.7 0.952 111.9 47.8 -60.0 -52.4 -22.9 29.2 -7.5 118 113 A L H ><5S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.3 -111,-0.3 0.823 111.9 50.6 -59.9 -35.2 -20.8 31.3 -10.0 119 114 A N T 3<5S+ 0 0 49 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.388 111.7 50.2 -80.8 2.0 -24.0 33.1 -11.2 120 115 A N T < 5S- 0 0 0 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.2 -0.077 123.7 -88.1-135.9 37.6 -25.0 33.9 -7.6 121 116 A G T < 5S+ 0 0 8 -3,-0.7 2,-0.4 -116,-0.3 -3,-0.2 0.672 88.2 118.5 66.8 26.8 -21.9 35.4 -6.0 122 117 A I < - 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