==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-NOV-06 2JA1 . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR U.KOSINSKA,C.CARNROT,M.P.B.SANDRINI,A.R.CLAUSEN,L.WANG,J.PIS . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 14.5 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 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 -1 A G 0 0 139 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.1 9.5 -24.5 -10.0 2 0 A S - 0 0 105 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.780 360.0-139.7-158.5 102.6 12.3 -23.7 -7.7 3 1 A M S S+ 0 0 188 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.735 77.7 36.3 -36.5 -53.6 12.0 -24.5 -3.9 4 2 A Y - 0 0 201 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.760 61.7-143.1-117.1 153.6 13.6 -21.3 -2.4 5 3 A L - 0 0 157 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.820 23.2-163.4-114.1 87.5 13.7 -17.6 -3.1 6 4 A I + 0 0 157 -2,-0.6 2,-0.3 2,-0.0 -2,-0.0 -0.549 15.1 170.4 -71.5 129.8 17.2 -16.3 -2.2 7 5 A N - 0 0 137 -2,-0.3 2,-0.5 0, 0.0 -2,-0.0 -0.851 33.6-104.4-130.7 170.4 17.6 -12.5 -1.8 8 6 A Q - 0 0 180 -2,-0.3 2,-0.1 2,-0.1 102,-0.1 -0.833 29.5-134.4-101.3 133.2 20.3 -10.2 -0.4 9 7 A N + 0 0 115 -2,-0.5 102,-0.2 100,-0.1 101,-0.1 -0.329 62.5 77.0 -74.3 164.2 20.0 -8.5 3.0 10 8 A G + 0 0 16 100,-0.5 2,-0.3 75,-0.1 102,-0.3 0.692 47.5 131.8 100.6 101.7 20.8 -4.9 3.5 11 9 A W E -a 112 0A 63 100,-1.1 102,-2.8 95,-0.0 2,-0.4 -0.961 45.5-108.8-164.2 172.8 18.5 -2.0 2.6 12 10 A I E -a 113 0A 0 -2,-0.3 127,-1.9 100,-0.2 126,-0.8 -0.956 19.4-169.3-118.3 129.7 17.0 1.2 4.0 13 11 A E E -ab 114 139A 14 100,-2.7 102,-3.3 -2,-0.4 2,-0.5 -0.976 10.5-158.8-112.7 125.5 13.3 1.9 5.0 14 12 A V E -ab 115 140A 1 125,-3.3 127,-3.2 -2,-0.5 2,-0.5 -0.899 7.5-170.3-103.7 133.6 12.3 5.4 5.8 15 13 A I E +ab 116 141A 0 100,-3.4 102,-2.2 -2,-0.5 2,-0.3 -0.985 25.0 159.8-115.0 116.5 9.2 6.2 7.9 16 14 A C E +ab 117 142A 0 125,-2.5 127,-2.7 -2,-0.5 2,-0.3 -0.872 7.4 102.7-137.0 172.4 8.4 10.0 7.8 17 15 A G E -a 118 0A 1 100,-0.7 102,-0.5 -2,-0.3 103,-0.2 -0.881 63.6 -41.3 144.2-177.1 5.6 12.6 8.3 18 16 A S S > S- 0 0 2 125,-0.5 3,-1.8 -2,-0.3 5,-0.3 -0.153 76.0 -70.6 -72.3 170.3 4.3 15.2 10.8 19 17 A M T 3 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.1 126,-0.1 -0.324 122.9 19.1 -55.5 144.8 4.3 14.8 14.6 20 18 A F T 3 S+ 0 0 84 1,-0.1 -1,-0.3 -3,-0.1 126,-0.2 0.506 85.6 118.1 67.6 7.8 1.6 12.3 15.7 21 19 A S S < S- 0 0 13 -3,-1.8 123,-0.3 124,-0.1 -2,-0.1 0.696 92.9-101.3 -72.9 -16.2 1.4 10.7 12.2 22 20 A G S > S+ 0 0 12 -4,-0.2 4,-2.9 121,-0.1 5,-0.3 0.611 72.4 144.9 108.9 18.1 2.6 7.4 13.8 23 21 A K H > S+ 0 0 12 -5,-0.3 4,-2.7 1,-0.2 5,-0.1 0.901 81.3 37.8 -53.2 -48.4 6.3 7.2 13.0 24 22 A S H > S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.856 113.2 56.3 -75.8 -34.4 7.2 5.7 16.3 25 23 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.939 114.7 41.4 -53.8 -44.9 4.1 3.5 16.4 26 24 A E H X S+ 0 0 31 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.884 113.0 51.6 -76.1 -40.8 5.2 2.2 13.0 27 25 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.922 110.9 50.8 -57.2 -44.0 8.9 1.9 13.9 28 26 A I H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.877 109.5 48.1 -67.3 -39.2 7.8 -0.1 17.0 29 27 A R H X S+ 0 0 118 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.906 111.9 50.5 -69.1 -38.6 5.6 -2.6 15.1 30 28 A R H X S+ 0 0 24 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.957 112.9 45.6 -59.3 -50.8 8.3 -3.2 12.5 31 29 A V H X S+ 0 0 3 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.895 111.6 52.5 -61.0 -44.2 10.9 -3.8 15.3 32 30 A R H >X S+ 0 0 91 -4,-2.5 4,-1.5 2,-0.2 3,-1.0 0.933 104.7 54.8 -52.7 -48.5 8.4 -6.1 17.2 33 31 A R H 3X S+ 0 0 162 -4,-2.5 4,-1.7 1,-0.3 3,-0.3 0.909 103.6 59.4 -54.9 -40.6 7.8 -8.2 14.0 34 32 A T H 3<>S+ 0 0 2 -4,-1.7 5,-2.2 1,-0.2 -1,-0.3 0.836 100.9 52.2 -52.7 -41.6 11.6 -8.6 14.0 35 33 A Q H X<5S+ 0 0 94 -4,-1.2 3,-1.2 -3,-1.0 -1,-0.2 0.869 108.1 50.5 -70.0 -33.5 11.6 -10.2 17.4 36 34 A F H 3<5S+ 0 0 172 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.812 103.9 58.9 -72.0 -29.1 9.0 -12.8 16.4 37 35 A A T 3<5S- 0 0 61 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.328 118.2-119.0 -75.8 7.2 11.1 -13.6 13.3 38 36 A K T < 5 + 0 0 184 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.834 68.8 137.9 53.6 36.9 13.8 -14.4 15.9 39 37 A Q < - 0 0 63 -5,-2.2 2,-0.4 45,-0.0 -1,-0.2 -0.778 56.0-115.0-103.2 158.3 16.1 -11.7 14.6 40 38 A H - 0 0 91 43,-0.4 45,-2.6 -2,-0.3 46,-1.9 -0.785 36.0-176.8 -97.2 131.5 18.2 -9.4 16.8 41 39 A A E -c 86 0A 36 -2,-0.4 2,-0.3 44,-0.2 46,-0.2 -0.912 14.6-164.9-127.7 154.0 17.4 -5.6 16.7 42 40 A I E -c 87 0A 32 44,-1.7 46,-3.0 -2,-0.3 2,-0.5 -0.985 10.3-152.2-134.4 145.0 18.8 -2.5 18.2 43 41 A V E -c 88 0A 7 -2,-0.3 25,-2.7 23,-0.2 2,-0.3 -0.980 9.6-166.5-124.0 128.1 17.1 0.9 18.3 44 42 A F E +cd 89 68A 0 44,-3.3 46,-2.7 -2,-0.5 -2,-0.0 -0.779 7.5 176.9-107.5 153.9 18.9 4.2 18.4 45 43 A K E - d 0 69A 2 23,-1.7 25,-2.6 -2,-0.3 2,-0.2 -0.973 35.1 -96.8-147.1 159.8 17.6 7.7 19.3 46 44 A P E > - d 0 70A 5 0, 0.0 3,-0.8 0, 0.0 25,-0.2 -0.518 25.5-128.3 -78.6 146.7 19.2 11.1 19.6 47 45 A C T 3 S+ 0 0 66 23,-1.8 24,-0.1 1,-0.2 25,-0.0 0.901 108.6 60.8 -53.9 -48.5 20.2 12.4 23.0 48 46 A I T 3 S+ 0 0 131 22,-0.2 2,-1.5 46,-0.2 -1,-0.2 0.792 84.5 88.8 -47.3 -36.4 18.3 15.7 22.4 49 47 A D < + 0 0 15 -3,-0.8 4,-0.2 1,-0.2 -1,-0.1 -0.490 41.9 135.0 -74.0 88.8 15.0 13.7 22.0 50 48 A N + 0 0 95 -2,-1.5 -1,-0.2 1,-0.1 4,-0.1 0.196 20.3 123.5-120.2 21.5 13.6 13.4 25.6 51 49 A R S S+ 0 0 128 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.877 98.0 2.2 -50.5 -52.0 9.9 14.3 25.1 52 50 A Y S S+ 0 0 94 1,-0.3 2,-0.3 4,-0.2 -1,-0.2 0.663 137.6 5.3-107.6 -23.3 8.6 11.0 26.7 53 51 A S - 0 0 25 3,-0.2 -1,-0.3 -4,-0.2 5,-0.1 -0.991 38.8-153.1-162.4 147.4 11.9 9.3 27.8 54 52 A E S S+ 0 0 145 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.890 106.4 33.3 -83.2 -50.5 15.6 9.7 28.1 55 53 A E S S+ 0 0 110 -5,-0.1 12,-0.8 13,-0.1 2,-0.2 0.874 115.8 52.4 -68.1 -44.7 16.2 5.9 27.8 56 54 A D E S-F 66 0B 23 10,-0.2 2,-0.7 12,-0.1 10,-0.2 -0.533 70.7-120.3-112.4 162.9 13.4 4.7 25.5 57 55 A V E -F 65 0B 1 8,-2.6 8,-1.6 -2,-0.2 2,-0.4 -0.887 42.4-171.5 -93.5 113.0 11.6 5.2 22.2 58 56 A V E -F 64 0B 29 -2,-0.7 2,-0.3 6,-0.2 6,-0.2 -0.916 16.7-153.1-118.2 131.4 8.0 6.0 23.0 59 57 A S > - 0 0 10 4,-3.0 3,-2.8 -2,-0.4 4,-0.2 -0.795 27.6-124.3 -94.1 142.7 4.9 6.3 20.8 60 58 A H T 3 S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.610 109.3 75.3 -61.3 -9.5 2.0 8.6 21.9 61 59 A N T 3 S- 0 0 72 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.568 121.2-107.0 -74.4 -7.3 -0.1 5.4 21.6 62 60 A G S < S+ 0 0 57 -3,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.376 80.9 123.1 98.4 -0.2 1.5 4.4 24.8 63 61 A L - 0 0 104 -4,-0.2 -4,-3.0 2,-0.0 -1,-0.3 -0.710 36.0-176.6 -97.8 148.5 3.9 1.7 23.5 64 62 A K E -F 58 0B 112 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.870 17.0-158.9-137.2 165.2 7.7 1.8 23.9 65 63 A V E -F 57 0B 11 -8,-1.6 -8,-2.6 -2,-0.3 2,-0.1 -0.987 35.8-101.6-142.2 143.4 10.9 -0.1 23.1 66 64 A K E -F 56 0B 170 -2,-0.3 2,-0.3 -10,-0.2 -23,-0.2 -0.415 48.6-176.6 -62.0 139.1 14.3 0.0 24.8 67 65 A A - 0 0 5 -12,-0.8 -23,-0.2 -25,-0.1 22,-0.0 -0.895 31.6-122.3-137.9 166.4 16.8 2.2 23.0 68 66 A V E -d 44 0A 37 -25,-2.7 -23,-1.7 -2,-0.3 2,-0.3 -0.952 29.5-141.1-110.3 112.0 20.3 3.4 23.0 69 67 A P E -d 45 0A 50 0, 0.0 2,-0.3 0, 0.0 -22,-0.0 -0.628 24.8-173.9 -76.2 135.3 20.6 7.2 23.2 70 68 A V E -d 46 0A 8 -25,-2.6 -23,-1.8 -2,-0.3 -22,-0.2 -0.959 25.7-164.0-137.6 141.8 23.3 8.6 20.9 71 69 A S S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.3 25,-0.2 0.773 80.8 34.4-103.2 -32.5 24.8 12.1 20.4 72 70 A A S > S- 0 0 30 1,-0.1 3,-1.3 23,-0.1 4,-0.3 -0.968 77.9-127.6-117.2 144.7 26.8 11.7 17.2 73 71 A S G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 0.854 107.4 60.3 -50.0 -43.0 25.7 9.5 14.2 74 72 A K G > S+ 0 0 112 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.682 86.1 76.4 -69.2 -14.6 29.1 7.7 14.1 75 73 A D G X S+ 0 0 52 -3,-1.3 3,-0.8 1,-0.2 4,-0.4 0.675 76.8 77.9 -66.0 -17.3 28.6 6.5 17.7 76 74 A I G X> S+ 0 0 0 -3,-1.8 3,-1.8 -4,-0.3 4,-0.5 0.877 82.8 65.6 -56.2 -37.5 26.1 3.9 16.3 77 75 A F G X4 S+ 0 0 76 -3,-1.1 3,-0.8 1,-0.3 -1,-0.2 0.796 92.6 59.1 -59.2 -32.6 29.1 1.8 15.1 78 76 A E G <4 S+ 0 0 153 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.629 105.6 49.2 -73.5 -14.6 30.3 1.1 18.6 79 77 A H G <4 S+ 0 0 79 -3,-1.8 2,-0.4 -4,-0.4 -1,-0.2 0.489 89.5 104.2-101.4 -6.3 27.0 -0.6 19.5 80 78 A I << - 0 0 34 -3,-0.8 2,-0.2 -4,-0.5 7,-0.0 -0.636 45.0-177.0 -87.8 126.0 26.8 -2.9 16.5 81 79 A T - 0 0 87 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.589 38.3-118.6-103.2 175.1 27.6 -6.6 16.6 82 80 A E S S+ 0 0 182 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.797 110.3 68.5 -78.3 -31.5 27.7 -9.2 13.8 83 81 A E S S+ 0 0 129 -44,-0.0 -43,-0.4 2,-0.0 -1,-0.2 0.730 83.9 89.9 -55.3 -29.1 24.9 -11.0 15.6 84 82 A L - 0 0 15 -3,-0.1 -43,-0.2 1,-0.1 3,-0.1 -0.471 47.6-178.6 -86.2 150.8 22.4 -8.2 14.9 85 83 A D + 0 0 57 -45,-2.6 27,-2.4 1,-0.2 2,-0.4 0.644 64.4 47.0-113.1 -28.4 20.1 -8.1 11.8 86 84 A V E -ce 41 112A 0 -46,-1.9 -44,-1.7 25,-0.2 2,-0.5 -0.976 52.6-168.4-133.1 131.6 18.1 -4.9 12.2 87 85 A I E -ce 42 113A 0 25,-2.9 27,-2.9 -2,-0.4 2,-0.4 -0.983 11.8-172.7-119.9 120.4 19.1 -1.3 13.1 88 86 A A E -ce 43 114A 0 -46,-3.0 -44,-3.3 -2,-0.5 2,-0.4 -0.915 3.2-170.2-113.3 138.8 16.2 1.1 13.9 89 87 A I E -ce 44 115A 0 25,-2.6 27,-3.1 -2,-0.4 3,-0.4 -0.970 5.6-160.0-131.3 117.3 16.7 4.8 14.4 90 88 A D S S+ 0 0 2 -46,-2.7 27,-0.2 -2,-0.4 -66,-0.0 -0.624 73.7 15.6 -93.0 155.9 13.9 7.1 15.7 91 89 A E S > S+ 0 0 20 -2,-0.2 3,-2.0 25,-0.1 26,-0.3 0.863 71.0 170.2 51.8 44.2 13.8 10.9 15.3 92 90 A V G > + 0 0 3 24,-2.7 3,-1.8 -3,-0.4 37,-0.2 0.675 63.1 76.3 -58.9 -20.0 16.5 10.8 12.6 93 91 A Q G 3 S+ 0 0 7 1,-0.3 -1,-0.3 23,-0.2 24,-0.1 0.741 89.4 59.4 -65.5 -20.0 16.0 14.5 11.7 94 92 A F G < S+ 0 0 78 -3,-2.0 -1,-0.3 34,-0.1 2,-0.2 0.350 85.9 104.7 -86.5 4.1 17.9 15.3 14.9 95 93 A F S < S- 0 0 19 -3,-1.8 34,-0.1 1,-0.1 -23,-0.1 -0.600 73.4-107.0 -90.3 151.0 21.1 13.5 13.7 96 94 A D > - 0 0 60 -2,-0.2 3,-1.3 -25,-0.2 -1,-0.1 0.206 44.8 -81.2 -62.5-174.2 24.3 15.2 12.4 97 95 A G T > S+ 0 0 50 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.680 120.7 68.4 -66.9 -20.4 25.5 15.4 8.8 98 96 A D T 3> S+ 0 0 53 1,-0.2 4,-2.3 2,-0.1 3,-0.5 0.726 71.3 95.1 -67.4 -23.3 27.1 11.9 9.0 99 97 A I H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.3 5,-0.2 0.770 81.5 50.3 -50.3 -40.7 23.7 10.1 9.2 100 98 A V H <> S+ 0 0 31 -3,-0.5 4,-3.0 1,-0.2 -1,-0.3 0.960 114.4 44.5 -60.8 -52.9 23.4 9.4 5.4 101 99 A E H > S+ 0 0 121 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.865 113.3 51.9 -55.4 -41.6 26.9 7.9 5.3 102 100 A V H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.958 113.7 43.3 -61.3 -51.8 26.3 5.9 8.5 103 101 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.880 113.6 50.0 -61.4 -46.4 23.0 4.4 7.1 104 102 A Q H X S+ 0 0 71 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.911 110.6 50.6 -62.4 -42.8 24.4 3.6 3.6 105 103 A V H X S+ 0 0 49 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.946 111.7 48.8 -56.8 -48.3 27.5 1.9 5.1 106 104 A L H <>S+ 0 0 2 -4,-2.2 5,-2.1 2,-0.2 4,-0.3 0.883 112.7 45.8 -61.8 -42.5 25.1 -0.2 7.4 107 105 A A H ><5S+ 0 0 8 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.909 111.0 53.3 -68.4 -40.8 22.8 -1.2 4.5 108 106 A N H 3<5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.2 57.5 -61.1 -26.7 25.8 -2.0 2.3 109 107 A R T 3<5S- 0 0 180 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.505 127.4 -95.8 -83.8 -6.0 27.0 -4.3 5.1 110 108 A G T < 5S+ 0 0 28 -3,-1.6 -100,-0.5 1,-0.4 2,-0.2 0.351 78.7 135.4 110.1 -4.6 23.8 -6.4 5.2 111 109 A Y < - 0 0 25 -5,-2.1 -100,-1.1 -102,-0.2 2,-0.7 -0.540 55.9-129.5 -78.2 140.8 21.9 -4.7 7.9 112 110 A R E -ae 11 86A 42 -27,-2.4 -25,-2.9 -102,-0.3 2,-0.6 -0.839 30.4-161.4 -82.6 113.2 18.2 -3.9 7.6 113 111 A V E -ae 12 87A 0 -102,-2.8 -100,-2.7 -2,-0.7 2,-0.5 -0.906 9.6-170.2-107.9 117.6 18.1 -0.2 8.6 114 112 A I E -ae 13 88A 0 -27,-2.9 -25,-2.6 -2,-0.6 2,-0.5 -0.938 9.2-171.0-109.9 123.2 14.7 1.3 9.6 115 113 A V E -ae 14 89A 0 -102,-3.3 -100,-3.4 -2,-0.5 2,-0.4 -0.949 7.7-172.9-126.5 122.0 14.7 5.1 9.9 116 114 A A E +a 15 0A 0 -27,-3.1 -24,-2.7 -2,-0.5 2,-0.3 -0.956 23.9 129.6-117.5 132.4 11.9 7.3 11.4 117 115 A G E -a 16 0A 0 -102,-2.2 -100,-0.7 -2,-0.4 2,-0.1 -0.987 56.9 -74.6-170.0 161.1 11.9 11.1 11.3 118 116 A L E -a 17 0A 15 -2,-0.3 10,-0.5 -102,-0.2 12,-0.2 -0.422 25.8-156.9 -62.1 131.4 10.0 14.3 10.5 119 117 A D S S+ 0 0 10 -102,-0.5 8,-2.8 1,-0.2 2,-0.3 0.870 80.2 20.5 -71.5 -37.4 9.8 15.1 6.8 120 118 A Q B S-G 126 0C 29 6,-0.3 -1,-0.2 -103,-0.2 -103,-0.1 -0.953 73.6-126.0-134.3 148.7 9.3 18.8 7.7 121 119 A D > - 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