==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-JUN-08 3DDM . COMPND 2 MOLECULE: PUTATIVE MANDELATE RACEMASE/MUCONATE LACTONIZING . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.A.GERLT,S.K.BURLEY, . 1452 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 990 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 7.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 51 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 497 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.5 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 5 1 5 0 0 15 8 0 4 4 4 0 0 0 1 0 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 15 8 5 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 0 PARALLEL BRIDGES PER LADDER . 6 0 4 0 3 1 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 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 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 8 A A 0 0 118 0, 0.0 113,-0.1 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 106.4 -24.6 5.5 -3.8 2 9 A S - 0 0 69 1,-0.1 2,-0.4 69,-0.1 68,-0.2 -0.052 360.0-115.0 -56.9 158.1 -28.4 5.3 -3.7 3 10 A I B +A 69 0A 6 66,-2.7 66,-2.5 27,-0.1 -1,-0.1 -0.821 28.8 179.1 -99.5 133.9 -30.3 2.2 -4.8 4 11 A T - 0 0 44 -2,-0.4 27,-0.3 64,-0.2 64,-0.1 -0.630 17.3-153.4-136.0 78.2 -32.6 2.3 -7.8 5 12 A P + 0 0 6 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.120 21.8 168.0 -49.1 143.3 -34.2 -1.1 -8.4 6 13 A A + 0 0 56 23,-2.6 2,-0.4 1,-0.4 24,-0.2 0.602 63.8 20.1-128.9 -37.9 -35.2 -1.6 -12.0 7 14 A R E -B 29 0B 80 22,-1.3 22,-3.2 57,-0.1 -1,-0.4 -0.998 59.5-173.0-140.7 134.8 -36.1 -5.3 -12.4 8 15 A V E +B 28 0B 13 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.948 10.3 177.2-133.8 113.1 -37.0 -7.8 -9.7 9 16 A R E -B 27 0B 123 18,-2.0 18,-2.2 -2,-0.4 2,-0.4 -0.890 15.3-155.0-120.6 149.4 -37.4 -11.5 -10.4 10 17 A A E -B 26 0B 10 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.963 7.7-163.3-120.8 135.4 -38.2 -14.5 -8.3 11 18 A H E -B 25 0B 16 14,-2.8 14,-2.4 -2,-0.4 2,-0.4 -0.976 6.1-153.1-122.1 131.7 -37.2 -18.1 -9.2 12 19 A V E -B 24 0B 48 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.815 12.0-176.6-105.2 143.1 -38.7 -21.2 -7.6 13 20 A F E -B 23 0B 7 10,-2.3 10,-1.5 -2,-0.4 2,-0.4 -0.991 10.1-171.5-137.3 142.9 -36.9 -24.5 -7.2 14 21 A R E -B 22 0B 66 -2,-0.3 -2,-0.0 8,-0.2 0, 0.0 -0.906 9.6-159.5-139.1 105.9 -38.1 -27.8 -5.8 15 22 A Y E -B 21 0B 72 6,-2.8 6,-2.5 -2,-0.4 2,-0.3 -0.785 20.6-132.0 -88.2 116.1 -35.6 -30.6 -5.4 16 23 A P E B 20 0B 82 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 -0.517 360.0 360.0 -71.8 127.6 -37.3 -34.0 -5.2 17 24 A V 0 0 137 2,-1.5 3,-0.2 -2,-0.3 307,-0.0 0.808 360.0 360.0-104.2 360.0 -36.1 -36.1 -2.4 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 36 A H 0 0 198 0, 0.0 -2,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -42.1 -41.5 -34.8 -0.3 20 37 A D E -B 16 0B 46 -4,-0.2 -6,-0.0 -3,-0.2 0, 0.0 -0.962 360.0-112.8-164.5 150.2 -39.2 -32.2 -1.8 21 38 A R E -B 15 0B 55 -6,-2.5 -6,-2.8 -2,-0.3 2,-0.1 -0.807 37.7-157.5 -91.7 118.1 -37.0 -29.3 -0.7 22 39 A P E +B 14 0B 10 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.460 13.3 178.1 -92.6 167.2 -38.3 -25.9 -1.9 23 40 A A E -B 13 0B 2 -10,-1.5 -10,-2.3 -2,-0.1 2,-0.4 -0.958 19.2-158.4-166.3 146.6 -36.6 -22.6 -2.5 24 41 A V E -B 12 0B 0 16,-0.4 16,-2.6 -2,-0.3 2,-0.4 -0.936 15.0-172.1-133.7 109.6 -37.2 -19.1 -3.7 25 42 A L E -BC 11 39B 1 -14,-2.4 -14,-2.8 -2,-0.4 2,-0.4 -0.822 6.9-158.6-101.6 140.2 -34.3 -17.1 -4.9 26 43 A V E -BC 10 38B 0 12,-2.7 12,-2.7 -2,-0.4 2,-0.4 -0.948 6.7-165.8-122.7 142.8 -34.7 -13.4 -5.7 27 44 A E E -BC 9 37B 20 -18,-2.2 -18,-2.0 -2,-0.4 2,-0.6 -0.988 3.9-161.9-128.8 121.6 -32.5 -11.1 -7.9 28 45 A V E -BC 8 36B 0 8,-2.3 8,-1.7 -2,-0.4 2,-0.5 -0.912 11.0-150.7-104.5 120.1 -32.8 -7.4 -7.8 29 46 A E E -BC 7 35B 59 -22,-3.2 -23,-2.6 -2,-0.6 -22,-1.3 -0.790 13.4-133.5 -95.0 131.5 -31.2 -5.6 -10.8 30 47 A D > - 0 0 3 4,-4.4 3,-1.0 -2,-0.5 -27,-0.1 -0.133 24.0-110.0 -71.7 168.5 -29.9 -2.1 -10.3 31 48 A S T 3 S+ 0 0 64 -27,-0.3 -1,-0.1 1,-0.2 -28,-0.0 0.666 124.0 51.8 -74.4 -16.9 -30.6 0.9 -12.6 32 49 A D T 3 S- 0 0 115 2,-0.1 -1,-0.2 -28,-0.0 3,-0.1 0.369 127.4-101.3 -97.6 1.4 -26.9 0.6 -13.6 33 50 A G S < S+ 0 0 39 -3,-1.0 -2,-0.1 1,-0.3 2,-0.0 0.333 75.1 144.7 95.7 -7.5 -27.3 -3.1 -14.3 34 51 A A - 0 0 28 -5,-0.1 -4,-4.4 1,-0.1 2,-0.4 -0.348 37.4-144.5 -65.6 146.2 -25.8 -4.3 -11.0 35 52 A V E -C 29 0B 45 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.913 16.0-172.2-121.0 142.3 -27.3 -7.4 -9.6 36 53 A G E -C 28 0B 0 -8,-1.7 -8,-2.3 -2,-0.4 2,-0.3 -0.983 11.8-147.2-130.4 142.4 -28.0 -8.6 -6.0 37 54 A W E +C 27 0B 18 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.849 20.9 159.4-115.0 148.4 -29.2 -11.9 -4.8 38 55 A G E -C 26 0B 0 -12,-2.7 -12,-2.7 -2,-0.3 2,-0.4 -0.907 27.0-127.9-149.8 176.5 -31.4 -13.0 -1.9 39 56 A E E -C 25 0B 2 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.988 10.3-146.0-134.0 141.9 -33.6 -15.9 -0.6 40 57 A V - 0 0 0 -16,-2.6 -16,-0.4 -2,-0.4 227,-0.1 -0.943 30.5-115.8-110.9 118.9 -37.2 -15.9 0.7 41 58 A W + 0 0 17 225,-1.9 61,-0.1 -2,-0.6 -18,-0.1 -0.169 49.6 152.2 -47.8 137.4 -37.9 -18.3 3.5 42 59 A C + 0 0 4 -20,-0.2 7,-0.2 56,-0.0 -1,-0.1 0.169 19.5 125.2-161.4 31.2 -40.4 -20.9 2.4 43 60 A N + 0 0 16 1,-0.1 6,-0.1 5,-0.1 5,-0.1 0.932 63.8 79.0 -63.5 -43.3 -40.0 -24.2 4.2 44 61 A F S S+ 0 0 148 4,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.935 81.8 27.0-127.4 147.8 -43.6 -24.3 5.3 45 62 A P S > S- 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.713 82.4-129.2 -74.1 172.4 -46.2 -25.0 4.2 46 63 A A T 3 S+ 0 0 59 1,-0.3 3,-0.4 -2,-0.2 -2,-0.1 0.836 109.0 45.0 -56.4 -31.3 -44.9 -27.4 1.6 47 64 A C T >> S+ 0 0 94 1,-0.2 3,-0.5 2,-0.1 4,-0.5 0.455 87.3 94.6 -92.0 -1.1 -46.9 -25.6 -1.1 48 65 A G H <> + 0 0 4 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.580 59.3 82.7 -69.4 -12.1 -46.0 -22.0 -0.0 49 66 A A H 3> S+ 0 0 0 -3,-0.4 4,-1.9 -7,-0.2 -1,-0.2 0.890 89.7 48.6 -61.6 -46.0 -43.0 -21.3 -2.3 50 67 A E H <> S+ 0 0 84 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.925 109.5 52.9 -61.4 -45.4 -44.9 -20.3 -5.5 51 68 A H H X S+ 0 0 75 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.903 109.3 50.0 -57.1 -42.3 -47.2 -17.9 -3.6 52 69 A R H X S+ 0 0 17 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.885 109.9 49.0 -66.4 -39.2 -44.1 -16.1 -2.1 53 70 A A H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.903 111.2 51.6 -67.2 -39.1 -42.4 -15.7 -5.5 54 71 A R H X S+ 0 0 147 -4,-2.7 4,-3.6 1,-0.2 5,-0.4 0.926 106.4 53.9 -62.2 -44.4 -45.7 -14.3 -6.8 55 72 A L H X>S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 5,-2.1 0.907 108.4 50.3 -55.4 -43.6 -45.9 -11.8 -4.0 56 73 A V H <>S+ 0 0 0 -4,-1.9 5,-2.1 3,-0.2 -1,-0.2 0.913 118.8 36.1 -62.3 -45.0 -42.4 -10.6 -4.8 57 74 A E H <5S+ 0 0 63 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.849 126.4 35.1 -80.5 -34.7 -43.1 -10.1 -8.5 58 75 A T H <5S+ 0 0 71 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.717 132.9 16.5 -94.5 -20.4 -46.7 -8.9 -8.3 59 76 A V T X5S+ 0 0 38 -4,-2.2 4,-0.9 -5,-0.4 -3,-0.2 0.774 129.0 33.8-118.1 -49.4 -46.7 -6.8 -5.1 60 77 A L H >< S+ 0 0 25 -4,-0.9 3,-1.2 1,-0.2 4,-0.3 0.971 114.8 47.2 -59.6 -51.0 -43.3 -0.7 -5.1 64 81 A L H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.863 111.3 48.9 -58.3 -43.6 -39.6 -1.3 -5.3 65 82 A T T 3< S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.059 95.8 72.3 -91.4 28.5 -39.1 -0.2 -9.0 66 83 A A T < S+ 0 0 83 -3,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.463 104.4 11.7-117.7 -4.6 -41.1 3.1 -8.8 67 84 A R S < S- 0 0 104 -3,-0.7 2,-0.2 -4,-0.3 -1,-0.1 -0.915 75.0-101.2-156.6-179.8 -38.6 5.2 -6.8 68 85 A A - 0 0 43 -2,-0.3 2,-0.4 -64,-0.1 -64,-0.2 -0.654 27.5-145.9-108.2 167.2 -35.1 5.4 -5.5 69 86 A F B -A 3 0A 2 -66,-2.5 -66,-2.7 -2,-0.2 4,-0.0 -0.998 20.0-135.2-140.4 135.4 -33.8 4.7 -1.9 70 87 A A S S- 0 0 61 -2,-0.4 -1,-0.1 -68,-0.2 -66,-0.1 0.888 89.3 -29.7 -51.8 -40.2 -31.1 6.2 0.1 71 88 A D S > S- 0 0 71 -69,-0.1 4,-1.6 -68,-0.1 3,-0.4 -0.943 74.8 -80.2-163.9 178.1 -30.1 2.7 1.1 72 89 A P H > S+ 0 0 6 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.882 122.5 61.0 -60.0 -38.4 -31.6 -0.8 1.7 73 90 A A H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 105.2 48.3 -55.0 -43.0 -32.9 0.1 5.1 74 91 A Q H > S+ 0 0 74 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.891 110.4 49.9 -66.1 -39.8 -35.1 2.8 3.6 75 92 A A H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.847 110.3 53.3 -67.0 -32.1 -36.4 0.4 0.9 76 93 A F H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.965 109.3 45.9 -66.3 -51.2 -37.2 -2.0 3.8 77 94 A A H X S+ 0 0 56 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.800 112.4 53.1 -62.2 -28.5 -39.1 0.5 5.8 78 95 A H H X S+ 0 0 27 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.939 108.5 48.5 -73.2 -44.0 -41.0 1.6 2.6 79 96 A L H < S+ 0 0 3 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.854 112.0 48.5 -64.5 -38.0 -42.1 -2.0 1.8 80 97 A E H >X S+ 0 0 68 -4,-2.1 3,-1.6 2,-0.2 4,-0.9 0.974 114.7 44.9 -65.5 -53.2 -43.3 -2.7 5.3 81 98 A A H 3< S+ 0 0 73 -4,-1.8 3,-0.5 1,-0.3 4,-0.4 0.867 112.3 51.6 -57.8 -41.5 -45.3 0.5 5.4 82 99 A R T 3< S+ 0 0 153 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.445 118.3 37.1 -78.9 0.1 -46.8 0.1 2.0 83 100 A T T <> S+ 0 0 8 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.348 85.1 99.9-128.4 1.1 -48.0 -3.4 2.7 84 101 A A H X S+ 0 0 50 -4,-0.9 4,-1.5 -3,-0.5 -2,-0.1 0.903 88.9 43.1 -55.3 -45.3 -49.1 -3.1 6.3 85 102 A V H > S+ 0 0 106 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.857 110.8 54.3 -71.1 -36.3 -52.7 -2.7 5.3 86 103 A L H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 6,-0.3 0.833 104.9 56.3 -66.6 -30.7 -52.6 -5.5 2.7 87 104 A A H X>S+ 0 0 18 -4,-2.1 4,-2.8 2,-0.2 5,-1.0 0.940 109.4 45.7 -65.2 -45.4 -51.2 -7.8 5.5 88 105 A I H <5S+ 0 0 140 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.970 110.5 52.4 -60.2 -55.7 -54.2 -7.1 7.6 89 106 A Q H <5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.760 124.6 26.7 -52.4 -30.5 -56.7 -7.6 4.8 90 107 A T H <5S- 0 0 64 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.622 96.2-126.5-111.8 -17.2 -55.3 -11.0 4.0 91 108 A G T <5 + 0 0 57 -4,-2.8 3,-0.2 -5,-0.2 -3,-0.2 0.869 68.8 129.4 70.7 34.5 -53.8 -12.2 7.2 92 109 A E >< + 0 0 49 -5,-1.0 4,-1.6 -6,-0.3 5,-0.3 -0.386 7.4 138.0-116.0 52.3 -50.5 -12.8 5.4 93 110 A P H > S+ 0 0 90 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.841 77.7 50.3 -65.8 -26.8 -48.0 -11.0 7.7 94 111 A G H > S+ 0 0 21 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.981 108.2 44.3 -73.7 -63.6 -45.7 -14.0 7.2 95 112 A P H > S+ 0 0 20 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.915 118.9 46.6 -49.1 -46.7 -45.6 -14.5 3.4 96 113 A L H X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.916 112.1 48.3 -63.8 -45.7 -45.1 -10.7 3.0 97 114 A A H X S+ 0 0 15 -4,-1.5 4,-3.3 -5,-0.3 172,-0.2 0.930 113.6 49.2 -60.0 -43.6 -42.5 -10.4 5.7 98 115 A Q H X S+ 0 0 16 -4,-2.9 4,-2.6 2,-0.2 -57,-0.3 0.924 111.6 46.6 -61.6 -48.6 -40.6 -13.3 4.1 99 116 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.927 114.6 49.4 -61.4 -41.4 -40.8 -11.9 0.6 100 117 A I H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.933 109.3 51.1 -63.8 -45.2 -39.6 -8.5 2.0 101 118 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 166,-0.3 170,-0.2 0.917 108.6 52.0 -58.8 -44.1 -36.7 -10.1 4.0 102 119 A G H X S+ 0 0 0 -4,-2.6 4,-1.4 164,-0.3 -1,-0.2 0.900 109.6 49.3 -59.3 -41.3 -35.5 -11.9 0.8 103 120 A L H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.793 108.5 53.2 -69.6 -28.0 -35.5 -8.6 -1.1 104 121 A D H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.907 105.1 54.3 -72.4 -40.2 -33.6 -6.9 1.6 105 122 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -68,-0.2 0.872 111.3 46.7 -58.8 -36.8 -30.9 -9.6 1.5 106 123 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.860 110.4 50.4 -74.9 -37.7 -30.6 -8.9 -2.2 107 124 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.866 114.2 45.4 -68.7 -35.7 -30.4 -5.1 -1.9 108 125 A C H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.878 112.2 51.3 -72.5 -38.5 -27.7 -5.4 0.7 109 126 A D H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.927 111.9 48.3 -62.2 -44.1 -25.9 -8.0 -1.4 110 127 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 113.0 47.1 -61.0 -46.3 -26.2 -5.5 -4.3 111 128 A A H X S+ 0 0 14 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.876 112.7 49.0 -64.1 -40.1 -24.9 -2.6 -2.1 112 129 A A H <>S+ 0 0 0 -4,-2.7 5,-3.3 2,-0.2 -1,-0.2 0.890 111.8 49.3 -68.2 -40.5 -22.0 -4.7 -0.7 113 130 A R H ><5S+ 0 0 52 -4,-2.4 3,-2.6 3,-0.2 -2,-0.2 0.955 108.7 51.6 -63.4 -50.1 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