==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAR-13 3W8N . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.NAKAGAWA,R.MEGA,R.MASUI,S.KURAMITSU,RIKEN STRUCTURAL . 201 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.5 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 . 2 1.0 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 . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 1 1 0 2 2 0 2 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 . 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 G 0 0 69 0, 0.0 118,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 177.3 23.6 18.2 39.6 2 4 A I E -a 119 0A 27 116,-0.2 134,-2.0 131,-0.2 2,-0.5 -0.880 360.0-159.5-109.8 137.1 24.6 21.6 38.4 3 5 A V E -ab 120 136A 8 116,-2.2 118,-2.0 -2,-0.4 2,-0.4 -0.964 12.0-164.7-112.8 127.1 28.1 22.4 37.1 4 6 A T E -ab 121 137A 1 132,-2.9 134,-1.9 -2,-0.5 2,-0.5 -0.929 9.5-165.0-117.6 143.7 29.1 26.1 37.0 5 7 A I E + b 0 138A 1 116,-2.1 2,-0.3 -2,-0.4 134,-0.2 -0.987 19.3 169.7-126.1 114.5 31.9 27.7 35.2 6 8 A D E + b 0 139A 11 132,-2.6 134,-3.5 -2,-0.5 116,-0.0 -0.796 8.3 130.7-121.9 165.5 32.9 31.3 36.3 7 9 A G - 0 0 13 -2,-0.3 134,-0.2 132,-0.2 3,-0.1 -0.931 51.5 -67.5 167.4 173.2 35.8 33.7 35.6 8 10 A P S > S- 0 0 22 0, 0.0 3,-1.0 0, 0.0 5,-0.3 -0.104 73.1 -59.5 -75.6 178.3 36.6 37.3 34.5 9 11 A S T 3 S+ 0 0 24 1,-0.2 138,-0.0 155,-0.2 159,-0.0 -0.289 124.6 14.8 -61.7 145.2 36.0 38.8 31.2 10 12 A A T 3 S+ 0 0 22 1,-0.1 -1,-0.2 -3,-0.1 140,-0.1 0.854 86.4 127.6 59.2 37.8 37.7 37.0 28.2 11 13 A S S < S- 0 0 12 -3,-1.0 -2,-0.1 -4,-0.1 -1,-0.1 0.515 77.7-118.5 -97.4 -9.1 38.4 34.0 30.4 12 14 A G > + 0 0 32 -4,-0.1 4,-2.6 -5,-0.1 5,-0.2 0.595 67.5 142.3 80.3 13.5 36.8 31.6 27.9 13 15 A K H > S+ 0 0 37 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.815 70.0 45.7 -57.1 -35.3 34.1 30.6 30.5 14 16 A S H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 112.2 49.1 -75.5 -44.7 31.3 30.4 28.0 15 17 A S H > S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.914 115.1 46.8 -59.8 -42.5 33.3 28.4 25.4 16 18 A V H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.936 110.5 50.8 -65.4 -47.2 34.4 26.1 28.1 17 19 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.897 109.0 52.7 -57.8 -40.3 30.9 25.7 29.5 18 20 A R H X S+ 0 0 127 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.880 113.2 42.6 -64.4 -39.8 29.5 24.9 26.1 19 21 A R H X S+ 0 0 105 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.886 113.4 52.4 -73.8 -41.6 32.1 22.1 25.5 20 22 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.971 111.9 45.7 -59.2 -50.9 31.7 20.7 29.0 21 23 A A H X>S+ 0 0 2 -4,-2.8 5,-2.3 1,-0.2 4,-1.2 0.926 111.8 52.4 -56.8 -47.5 27.9 20.5 28.6 22 24 A A H ><5S+ 0 0 75 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.926 110.7 47.3 -55.9 -45.4 28.3 18.9 25.2 23 25 A A H 3<5S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.7 47.5 -65.4 -37.0 30.7 16.3 26.5 24 26 A L H 3<5S- 0 0 75 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.615 110.3-121.6 -80.8 -10.2 28.4 15.5 29.5 25 27 A G T <<5S+ 0 0 53 -4,-1.2 45,-0.2 -3,-0.6 -3,-0.2 0.808 73.4 118.6 74.4 26.0 25.4 15.3 27.2 26 28 A V < - 0 0 25 -5,-2.3 -1,-0.3 -6,-0.2 93,-0.2 -0.798 68.5 -89.4-120.2 167.6 23.6 18.0 29.2 27 29 A P - 0 0 16 0, 0.0 93,-2.3 0, 0.0 2,-0.5 -0.338 25.6-142.0 -73.8 155.5 22.3 21.5 28.3 28 30 A Y B -c 120 0A 28 41,-0.3 2,-1.1 91,-0.2 45,-0.2 -0.994 19.5-135.1-115.9 119.9 24.4 24.7 28.6 29 31 A L - 0 0 7 91,-2.5 2,-0.7 -2,-0.5 93,-0.4 -0.679 23.1-172.0 -81.3 96.6 22.2 27.5 29.8 30 32 A S > - 0 0 37 -2,-1.1 3,-1.1 1,-0.1 4,-0.4 -0.826 14.9-153.8 -94.3 114.7 23.1 30.5 27.6 31 33 A S T >> S+ 0 0 39 -2,-0.7 4,-1.7 1,-0.2 3,-1.1 0.757 82.0 80.5 -56.1 -32.5 21.4 33.7 29.0 32 34 A G H 3> S+ 0 0 32 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.820 84.6 58.4 -45.8 -41.4 21.3 35.3 25.5 33 35 A L H <> S+ 0 0 23 -3,-1.1 4,-2.3 1,-0.2 -1,-0.3 0.853 107.0 47.6 -60.4 -39.1 18.2 33.4 24.4 34 36 A L H <> S+ 0 0 0 -3,-1.1 4,-2.6 -4,-0.4 -1,-0.2 0.906 111.3 49.2 -71.1 -41.3 16.2 34.8 27.3 35 37 A Y H X S+ 0 0 13 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.927 113.3 48.5 -63.0 -39.9 17.3 38.4 26.8 36 38 A R H X S+ 0 0 54 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.921 108.6 53.4 -63.6 -43.9 16.4 37.9 23.1 37 39 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.935 108.3 50.9 -56.8 -43.7 13.0 36.5 24.1 38 40 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.892 111.9 46.2 -61.5 -41.5 12.5 39.6 26.2 39 41 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.932 112.6 50.4 -66.7 -46.0 13.3 41.9 23.2 40 42 A F H X S+ 0 0 25 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.929 110.8 47.9 -56.5 -52.1 11.1 39.9 20.9 41 43 A L H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 6,-0.3 0.883 110.9 53.0 -60.3 -36.8 8.1 40.0 23.2 42 44 A A H X>S+ 0 0 0 -4,-1.9 5,-2.0 -5,-0.2 4,-0.8 0.946 112.0 43.3 -62.9 -50.5 8.6 43.7 23.7 43 45 A L H <5S+ 0 0 70 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.863 115.3 49.5 -66.3 -35.7 8.6 44.5 20.0 44 46 A R H <5S+ 0 0 183 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.870 112.9 45.5 -71.2 -36.7 5.7 42.1 19.3 45 47 A A H <5S- 0 0 57 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.511 112.1-115.4 -85.0 -5.6 3.5 43.6 22.0 46 48 A G T <5 + 0 0 68 -4,-0.8 2,-0.5 -3,-0.3 -3,-0.2 0.656 66.3 147.7 78.8 15.2 4.3 47.2 21.1 47 49 A V < - 0 0 30 -5,-2.0 -1,-0.3 -6,-0.3 -2,-0.1 -0.739 56.7-111.6 -87.7 128.5 6.0 47.7 24.5 48 50 A D > - 0 0 101 -2,-0.5 3,-2.4 1,-0.2 7,-0.2 -0.389 17.8-139.2 -60.2 121.2 8.9 50.1 24.4 49 51 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 0.571 105.4 55.2 -61.0 -3.3 12.1 48.1 25.0 50 52 A G T 3 S+ 0 0 49 1,-0.1 2,-1.3 5,-0.0 -2,-0.1 0.577 84.5 91.4-101.3 -15.2 13.1 51.0 27.2 51 53 A D <> - 0 0 75 -3,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.654 54.4-180.0 -85.1 93.3 10.0 50.8 29.4 52 54 A E H > S+ 0 0 55 -2,-1.3 4,-2.9 1,-0.2 5,-0.2 0.881 76.1 47.7 -62.4 -47.0 11.1 48.5 32.1 53 55 A E H > S+ 0 0 166 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 115.8 46.7 -65.9 -35.4 8.0 48.3 34.3 54 56 A G H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.930 113.9 47.2 -70.8 -42.4 5.9 47.7 31.2 55 57 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -7,-0.2 -2,-0.2 0.937 112.1 49.7 -64.5 -44.5 8.2 45.0 29.9 56 58 A L H X S+ 0 0 35 -4,-2.9 4,-3.1 1,-0.2 5,-0.4 0.907 108.9 51.8 -61.5 -44.2 8.4 43.2 33.2 57 59 A A H X S+ 0 0 69 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.917 112.8 46.9 -59.4 -42.5 4.7 43.2 33.6 58 60 A L H X S+ 0 0 39 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.939 115.3 44.1 -63.8 -49.9 4.4 41.7 30.1 59 61 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 5,-0.3 0.949 117.0 44.4 -63.6 -50.1 7.1 39.0 30.7 60 62 A E H < S+ 0 0 85 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.938 114.9 52.2 -59.9 -43.2 5.9 38.0 34.1 61 63 A G H < S+ 0 0 65 -4,-2.4 -2,-0.2 -5,-0.4 -1,-0.2 0.859 106.7 50.6 -62.4 -38.9 2.4 38.0 32.8 62 64 A L H < S- 0 0 57 -4,-2.4 16,-0.8 -5,-0.1 -1,-0.2 0.775 103.6-127.5 -73.1 -24.2 3.1 35.7 29.8 63 65 A G < - 0 0 46 -4,-1.4 15,-1.7 -3,-0.4 16,-0.4 0.905 26.7-152.2 73.5 89.2 4.8 33.0 31.8 64 66 A V E -E 77 0B 8 -5,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.792 11.4-167.5 -99.2 142.8 8.2 32.4 30.0 65 67 A R E -E 76 0B 148 11,-2.5 11,-2.5 -2,-0.4 2,-0.7 -0.985 18.0-147.0-134.7 136.0 10.0 29.1 30.1 66 68 A L E -E 75 0B 8 -2,-0.4 2,-0.8 45,-0.3 9,-0.2 -0.903 16.0-157.6 -98.4 110.5 13.5 28.1 29.1 67 69 A L E -E 74 0B 43 7,-3.0 7,-2.6 -2,-0.7 2,-0.6 -0.857 13.0-154.4 -89.9 108.3 13.4 24.5 27.8 68 70 A A + 0 0 30 -2,-0.8 2,-0.3 5,-0.2 5,-0.1 -0.794 23.1 162.9 -92.5 123.7 16.9 23.2 28.3 69 71 A Q > - 0 0 69 -2,-0.6 3,-2.3 -41,-0.1 -41,-0.3 -0.998 45.7-125.6-140.9 140.2 18.0 20.4 26.0 70 72 A A T 3 S+ 0 0 57 -2,-0.3 3,-0.1 1,-0.3 -44,-0.1 0.839 112.6 52.5 -52.4 -35.5 21.4 19.0 25.0 71 73 A E T 3 S- 0 0 161 1,-0.3 -1,-0.3 -46,-0.1 2,-0.1 0.421 133.3 -44.9 -83.5 0.2 20.6 19.6 21.3 72 74 A G < - 0 0 33 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.1 -0.114 59.5-104.9 137.4 126.8 19.6 23.2 21.8 73 75 A N - 0 0 22 -45,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.303 28.6-157.3 -74.0 156.8 17.5 25.2 24.2 74 76 A R E -E 67 0B 85 -7,-2.6 -7,-3.0 -2,-0.0 2,-0.4 -0.918 6.0-146.1-129.5 157.0 14.1 26.6 23.4 75 77 A V E -E 66 0B 0 -2,-0.3 7,-2.7 -9,-0.2 8,-0.7 -0.995 14.6-167.8-126.7 129.4 12.1 29.5 24.9 76 78 A L E -EF 65 81B 18 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.4 -0.908 8.1-164.5-118.0 145.8 8.3 29.4 25.2 77 79 A A E > S-EF 64 80B 7 3,-2.0 3,-2.8 -2,-0.4 -13,-0.2 -0.998 83.5 -16.0-129.1 121.2 5.9 32.3 26.0 78 80 A D T 3 S- 0 0 129 -15,-1.7 -1,-0.1 -16,-0.8 -15,-0.1 0.924 132.4 -51.9 47.2 46.0 2.4 31.3 27.1 79 81 A G T 3 S+ 0 0 69 -16,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.319 111.6 123.2 77.5 -8.6 3.2 27.8 25.6 80 82 A E E < -F 77 0B 104 -3,-2.8 -3,-2.0 1,-0.0 2,-0.7 -0.746 62.9-127.4 -91.6 132.8 4.4 29.1 22.2 81 83 A D E +F 76 0B 59 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.670 32.3 170.6 -78.6 114.9 7.9 28.2 21.0 82 84 A L >> + 0 0 2 -7,-2.7 3,-2.3 -2,-0.7 4,-0.5 0.400 43.0 109.2-102.7 -7.3 9.6 31.5 20.0 83 85 A T G >4 S+ 0 0 18 -8,-0.7 3,-1.3 1,-0.3 4,-0.2 0.821 71.7 56.5 -39.8 -46.9 13.1 30.2 19.5 84 86 A S G 34 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.2 3,-0.3 0.616 106.3 52.1 -68.3 -11.7 13.2 30.5 15.7 85 87 A F G X4 S+ 0 0 86 -3,-2.3 3,-0.9 1,-0.1 -1,-0.2 0.508 83.9 89.8-100.0 -6.2 12.4 34.3 15.9 86 88 A L T << S+ 0 0 0 -3,-1.3 -1,-0.1 -4,-0.5 -2,-0.1 0.497 81.4 52.1 -75.3 -3.3 15.2 35.2 18.3 87 89 A H T 3 S+ 0 0 119 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.037 75.1 123.4-122.4 29.1 18.0 36.0 16.0 88 90 A T S <> S- 0 0 48 -3,-0.9 4,-2.5 1,-0.1 3,-0.2 -0.398 74.0-108.8 -84.1 163.4 16.5 38.5 13.5 89 91 A P H > S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.825 117.2 58.0 -65.0 -25.1 18.0 42.0 12.9 90 92 A E H > S+ 0 0 117 2,-0.2 4,-0.8 1,-0.2 5,-0.1 0.909 110.6 42.0 -70.9 -39.0 15.1 43.6 14.7 91 93 A V H >> S+ 0 0 2 -3,-0.2 4,-2.3 -6,-0.2 3,-0.9 0.933 112.5 54.8 -70.5 -43.8 15.7 41.7 17.9 92 94 A D H 3X S+ 0 0 77 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.861 102.2 60.5 -54.7 -38.5 19.5 42.2 17.5 93 95 A R H 3< S+ 0 0 200 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.799 118.8 22.1 -62.9 -36.4 19.0 45.9 17.3 94 96 A V H 4 S+ 0 0 45 -3,-0.4 3,-0.6 1,-0.2 4,-0.4 0.891 111.8 50.3 -61.7 -39.9 19.5 48.0 25.6 98 100 A V H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 6,-0.2 0.930 106.8 53.4 -64.5 -42.9 17.0 45.5 27.0 99 101 A A H 3< S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.628 99.4 65.0 -67.4 -15.8 19.7 43.5 28.8 100 102 A R T << S+ 0 0 180 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.611 77.7 98.6 -83.0 -11.9 21.0 46.7 30.5 101 103 A L X> - 0 0 30 -3,-1.6 4,-1.8 -4,-0.4 3,-1.0 -0.668 69.4-147.2 -78.5 118.3 17.7 47.0 32.4 102 104 A P H 3> S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.826 95.7 54.2 -53.6 -38.3 18.3 45.6 36.0 103 105 A G H 3> S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.805 107.4 51.2 -68.5 -29.3 14.7 44.3 36.4 104 106 A V H <> S+ 0 0 0 -3,-1.0 4,-2.8 -6,-0.2 -1,-0.2 0.890 107.5 52.7 -73.2 -39.4 15.0 42.3 33.2 105 107 A R H X S+ 0 0 55 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.937 110.1 48.6 -61.0 -42.5 18.3 40.7 34.3 106 108 A A H X S+ 0 0 40 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 110.5 51.1 -65.1 -38.6 16.6 39.6 37.5 107 109 A W H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.924 110.7 48.8 -63.2 -43.6 13.7 38.2 35.5 108 110 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.896 110.3 51.5 -61.8 -41.6 16.3 36.3 33.3 109 111 A N H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 107.9 51.3 -65.1 -39.2 17.9 35.0 36.5 110 112 A R H X S+ 0 0 98 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.883 109.5 50.7 -64.8 -37.5 14.6 33.8 37.9 111 113 A R H >< S+ 0 0 16 -4,-2.0 3,-0.5 1,-0.2 4,-0.4 0.879 110.3 50.9 -67.2 -35.1 13.9 31.9 34.6 112 114 A L H >< S+ 0 0 8 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.932 105.6 54.9 -67.0 -41.8 17.4 30.4 34.8 113 115 A K H 3< S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.628 101.0 60.6 -68.7 -12.8 16.8 29.2 38.4 114 116 A E T << S+ 0 0 109 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.562 77.1 106.3 -86.3 -19.1 13.6 27.3 37.4 115 117 A V S < S- 0 0 13 -3,-1.4 -48,-0.1 -4,-0.4 4,-0.1 -0.482 74.9-123.9 -64.2 129.2 15.3 25.0 35.0 116 118 A P - 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0 0 47 -3,-2.3 -1,-0.2 4,-0.0 2,-0.1 -0.889 59.3-132.9-117.5 146.1 46.6 26.0 28.2 190 194 A T > - 0 0 71 -2,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.374 32.4-102.5 -87.0 170.6 44.3 25.6 25.2 191 195 A L H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.952 124.3 50.0 -55.7 -48.3 40.5 25.5 25.1 192 196 A D H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.839 108.9 52.0 -61.3 -34.8 40.6 21.8 24.7 193 197 A E H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.891 109.3 48.5 -70.6 -38.2 43.0 21.4 27.7 194 198 A V H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.935 112.6 49.7 -65.9 -43.3 40.8 23.5 30.0 195 199 A V H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.941 111.9 47.5 -59.4 -47.9 37.7 21.5 28.9 196 200 A A H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.947 110.9 51.9 -60.8 -45.4 39.6 18.2 29.6 197 201 A W H < S+ 0 0 60 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.889 111.3 47.5 -58.8 -41.9 40.8 19.5 33.0 198 202 A V H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.4 0.960 111.5 48.5 -65.1 -52.1 37.2 20.4 34.0 199 203 A L H >< S+ 0 0 57 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.840 107.8 57.8 -56.3 -33.7 35.7 17.1 32.9 200 204 A A T 3< S+ 0 0 81 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.610 106.6 48.4 -73.9 -13.2 38.5 15.3 34.8 201 205 A H T < 0 0 90 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.340 360.0 360.0-109.3 6.7 37.5 17.0 38.0 202 206 A I < 0 0 73 -3,-1.0 -3,-0.1 -4,-0.4 -2,-0.0 0.351 360.0 360.0 -95.3 360.0 33.7 16.3 37.8