==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 01-MAY-01 1IK0 . COMPND 2 MOLECULE: INTERLEUKIN-13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.J.MOY,E.DIBLASIO,J.WILHELM,R.POWERS . 112 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 3.6 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 . 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 . 11 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 239 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.0 23.3 6.6 12.0 2 2 A G - 0 0 63 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.268 360.0 -74.6 -72.9 165.7 21.0 8.8 9.8 3 3 A P - 0 0 131 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.125 65.4 -77.7 -49.6 174.4 17.4 7.7 8.9 4 4 A V - 0 0 89 -3,-0.1 5,-0.1 1,-0.1 0, 0.0 -0.660 54.9-115.0 -79.6 127.4 17.0 4.9 6.3 5 5 A P > - 0 0 67 0, 0.0 4,-1.8 0, 0.0 5,-0.1 -0.012 25.3-109.0 -54.2 169.2 17.5 6.4 2.8 6 6 A P H > S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.954 117.0 47.1 -68.6 -50.3 14.5 6.4 0.3 7 7 A S H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 113.1 51.0 -60.6 -37.0 15.7 3.7 -2.0 8 8 A T H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 107.8 52.3 -68.3 -40.1 16.6 1.5 0.9 9 9 A A H X S+ 0 0 16 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.919 108.1 51.8 -62.5 -40.8 13.2 1.9 2.5 10 10 A L H X S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.959 110.2 47.4 -62.3 -47.9 11.5 0.9 -0.8 11 11 A R H X S+ 0 0 141 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.941 113.5 48.9 -60.0 -42.1 13.6 -2.3 -1.0 12 12 A E H X S+ 0 0 95 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.916 114.3 46.3 -63.4 -39.8 12.8 -3.0 2.7 13 13 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.946 113.6 47.5 -69.3 -46.3 9.1 -2.4 1.9 14 14 A I H X S+ 0 0 30 -4,-3.6 4,-2.5 1,-0.2 5,-0.3 0.958 113.1 48.1 -60.6 -49.9 9.1 -4.5 -1.3 15 15 A E H X S+ 0 0 109 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.910 114.4 45.9 -60.0 -41.5 10.8 -7.5 0.4 16 16 A E H X S+ 0 0 96 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.938 113.0 49.0 -70.0 -42.9 8.5 -7.4 3.5 17 17 A L H X S+ 0 0 6 -4,-2.6 4,-1.2 -5,-0.2 5,-0.2 0.921 113.1 47.8 -62.8 -41.0 5.3 -7.1 1.4 18 18 A V H X S+ 0 0 42 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.913 107.7 56.2 -66.6 -40.7 6.4 -10.0 -0.9 19 19 A N H X S+ 0 0 87 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 0.895 110.0 43.9 -60.0 -41.0 7.3 -12.2 2.2 20 20 A I H < S+ 0 0 46 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.737 119.0 42.4 -80.0 -20.1 3.8 -11.9 3.7 21 21 A T H < S+ 0 0 22 -4,-1.2 3,-0.4 -3,-0.2 -2,-0.2 0.713 108.6 57.7 -97.6 -22.0 1.9 -12.5 0.4 22 22 A Q H < S+ 0 0 140 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.872 113.7 38.0 -75.2 -35.1 4.1 -15.3 -1.0 23 23 A N S < S+ 0 0 141 -4,-1.0 2,-0.6 -5,-0.3 -1,-0.2 0.290 89.9 116.8 -97.4 10.8 3.5 -17.5 2.1 24 24 A Q - 0 0 52 -3,-0.4 4,-0.1 1,-0.2 -3,-0.0 -0.673 42.0-173.5 -83.0 122.8 -0.2 -16.5 2.4 25 25 A K S S+ 0 0 203 -2,-0.6 -1,-0.2 1,-0.2 3,-0.0 0.857 75.5 5.1 -81.4 -35.0 -2.5 -19.5 1.9 26 26 A A S S- 0 0 53 1,-0.1 -1,-0.2 67,-0.0 5,-0.0 -0.939 108.2 -56.8-142.3 163.6 -5.7 -17.3 2.0 27 27 A P - 0 0 63 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.063 46.2-134.0 -41.8 134.2 -6.4 -13.5 2.3 28 28 A L S S+ 0 0 81 2,-0.1 31,-0.1 4,-0.1 2,-0.1 0.942 90.4 53.0 -61.8 -44.5 -4.6 -12.1 5.4 29 29 A a S S- 0 0 8 3,-0.2 2,-3.7 1,-0.1 64,-0.1 -0.342 116.0 -83.3 -84.1 171.6 -7.8 -10.1 6.4 30 30 A N S S- 0 0 167 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.066 89.5 -69.0 -67.6 46.7 -11.3 -11.7 6.7 31 31 A G S S+ 0 0 40 -2,-3.7 -1,-0.2 1,-0.2 -3,-0.0 0.768 83.2 175.3 73.2 21.7 -11.6 -11.3 2.9 32 32 A S - 0 0 46 59,-0.1 60,-1.6 1,-0.0 2,-0.3 -0.360 15.7-151.9 -62.0 138.5 -11.7 -7.5 3.4 33 33 A M E -A 91 0A 85 58,-0.2 2,-0.3 59,-0.1 58,-0.3 -0.808 5.4-152.7-112.3 154.3 -11.8 -5.6 0.1 34 34 A V E -A 90 0A 0 56,-3.1 56,-3.1 -2,-0.3 2,-0.2 -0.856 27.5 -93.5-124.9 160.8 -10.5 -2.1 -0.5 35 35 A W E -A 89 0A 86 -2,-0.3 54,-0.2 15,-0.2 53,-0.1 -0.504 43.7-115.4 -73.0 137.6 -11.4 0.7 -3.0 36 36 A S - 0 0 35 52,-1.2 2,-0.3 -2,-0.2 51,-0.2 -0.397 35.0-162.3 -70.0 150.0 -9.2 0.7 -6.2 37 37 A I - 0 0 15 -2,-0.1 2,-0.5 46,-0.0 46,-0.1 -0.913 25.2-103.4-131.3 161.0 -7.0 3.8 -6.7 38 38 A N - 0 0 101 -2,-0.3 2,-1.1 44,-0.1 8,-0.1 -0.706 35.7-128.6 -84.7 126.3 -5.2 5.4 -9.6 39 39 A L + 0 0 53 -2,-0.5 2,-0.3 7,-0.1 4,-0.1 -0.619 54.3 137.3 -78.4 103.6 -1.5 4.6 -9.3 40 40 A T S > S- 0 0 87 -2,-1.1 3,-1.2 0, 0.0 6,-0.2 -0.906 74.7 -69.0-140.8 167.7 0.2 8.0 -9.7 41 41 A A T 3 S+ 0 0 113 1,-0.3 3,-0.4 -2,-0.3 2,-0.1 0.746 132.5 58.2 -29.2 -34.3 3.0 10.0 -8.0 42 42 A G T 3> + 0 0 32 1,-0.2 4,-2.7 2,-0.1 5,-0.3 -0.090 67.9 126.8 -92.3 38.6 0.7 10.1 -4.9 43 43 A M H <> S+ 0 0 8 -3,-1.2 4,-3.5 1,-0.2 5,-0.4 0.943 71.7 50.6 -60.7 -46.7 0.5 6.3 -4.7 44 44 A Y H > S+ 0 0 22 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.929 114.7 43.0 -60.0 -43.5 1.5 6.2 -1.0 45 45 A b H > S+ 0 0 33 2,-0.2 4,-1.8 25,-0.2 -2,-0.2 0.965 120.0 41.9 -68.1 -49.5 -1.0 8.9 0.0 46 46 A A H X S+ 0 0 10 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.945 115.9 49.0 -63.2 -47.2 -3.8 7.3 -2.1 47 47 A A H X S+ 0 0 1 -4,-3.5 4,-1.9 -5,-0.3 -1,-0.2 0.908 107.7 56.4 -60.8 -40.1 -3.0 3.8 -1.1 48 48 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.4 -1,-0.2 0.955 105.5 48.8 -59.9 -50.1 -2.8 4.7 2.6 49 49 A E H < S+ 0 0 5 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.917 109.0 53.6 -59.6 -40.0 -6.4 6.1 2.7 50 50 A S H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -15,-0.2 0.927 110.7 46.9 -61.4 -40.0 -7.8 3.0 1.0 51 51 A L H >< S+ 0 0 8 -4,-1.9 3,-4.0 1,-0.3 -1,-0.2 0.875 93.2 75.7 -70.0 -34.6 -6.1 0.9 3.7 52 52 A I T 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.713 88.5 64.8 -51.6 -12.2 -7.5 3.1 6.5 53 53 A N T < S+ 0 0 53 -3,-1.1 2,-0.6 -4,-0.4 -1,-0.3 0.690 88.1 77.7 -85.1 -16.4 -10.7 1.3 5.6 54 54 A V < + 0 0 16 -3,-4.0 2,-0.3 -4,-0.2 3,-0.1 -0.817 62.4 171.3 -95.5 121.1 -9.2 -2.1 6.8 55 55 A S + 0 0 102 -2,-0.6 3,-0.1 1,-0.1 -3,-0.0 -0.952 54.8 34.8-129.1 149.8 -9.1 -2.4 10.6 56 56 A G S S+ 0 0 83 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.372 81.4 119.2 92.2 -6.3 -8.3 -5.4 12.9 57 57 A a > + 0 0 18 1,-0.2 3,-0.9 -3,-0.1 4,-0.4 -0.758 36.1 177.9 -96.1 98.1 -5.6 -6.7 10.4 58 58 A S G >> S+ 0 0 77 -2,-1.0 3,-2.1 1,-0.2 4,-0.8 0.902 73.9 72.1 -65.4 -39.9 -2.3 -6.7 12.3 59 59 A A G 34 S+ 0 0 51 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.794 105.5 39.5 -47.9 -28.6 -0.4 -8.1 9.3 60 60 A I G <> S+ 0 0 13 -3,-0.9 4,-2.9 2,-0.1 -1,-0.3 0.484 89.4 89.5-103.1 -1.8 -0.8 -4.7 7.6 61 61 A E H <> S+ 0 0 117 -3,-2.1 4,-2.2 -4,-0.4 5,-0.2 0.962 92.9 46.4 -59.9 -44.4 -0.2 -2.4 10.6 62 62 A K H X S+ 0 0 126 -4,-0.8 4,-2.7 1,-0.2 5,-0.3 0.930 110.2 53.9 -62.6 -40.0 3.5 -2.4 9.8 63 63 A T H > S+ 0 0 13 -4,-0.4 4,-3.0 1,-0.2 5,-0.3 0.936 106.1 53.4 -60.0 -41.5 2.6 -1.8 6.2 64 64 A Q H X S+ 0 0 33 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.931 109.4 47.9 -60.2 -43.3 0.6 1.2 7.4 65 65 A R H X S+ 0 0 157 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.962 113.8 46.2 -63.7 -48.5 3.6 2.6 9.3 66 66 A M H X S+ 0 0 44 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.926 112.0 51.1 -61.8 -42.0 6.0 2.1 6.3 67 67 A L H >X S+ 0 0 2 -4,-3.0 3,-1.1 -5,-0.3 4,-1.0 0.927 107.0 54.4 -62.7 -40.2 3.5 3.7 3.9 68 68 A S H >< S+ 0 0 50 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.919 96.7 65.2 -60.0 -40.0 3.1 6.7 6.2 69 69 A G H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.841 108.7 40.8 -52.3 -29.8 6.9 7.2 6.1 70 70 A F H << S+ 0 0 51 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.617 126.1 35.0 -93.9 -13.7 6.4 7.9 2.3 71 71 A b << - 0 0 11 -3,-1.1 2,-3.9 -4,-1.0 -1,-0.2 -0.725 63.2-159.3-143.2 94.4 3.2 10.0 2.9 72 72 A P + 0 0 129 0, 0.0 2,-1.0 0, 0.0 -4,-0.1 0.054 49.3 140.0 -60.1 36.8 2.8 12.2 6.0 73 73 A H - 0 0 82 -2,-3.9 2,-1.5 -5,-0.2 -2,-0.1 -0.725 42.8-159.5 -90.0 103.5 -0.9 12.1 5.3 74 74 A K - 0 0 200 -2,-1.0 2,-0.4 -6,-0.0 -1,-0.0 -0.611 21.7-179.1 -80.4 92.4 -2.9 11.7 8.6 75 75 A V - 0 0 21 -2,-1.5 2,-0.3 -30,-0.0 5,-0.1 -0.804 12.9-152.6 -98.5 134.0 -6.1 10.3 7.1 76 76 A S > - 0 0 64 -2,-0.4 3,-0.8 1,-0.1 -24,-0.1 -0.687 34.0-106.3-100.9 156.6 -9.0 9.5 9.4 77 77 A A T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.3 3,-0.0 0.585 125.5 48.1 -57.9 -2.4 -11.7 6.9 8.7 78 78 A G T 3 S+ 0 0 58 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.696 98.3 72.9-108.4 -29.8 -13.9 10.0 8.0 79 79 A Q < + 0 0 130 -3,-0.8 2,-0.3 -30,-0.0 -1,-0.1 -0.746 60.9 178.1 -90.6 129.9 -11.6 11.9 5.7 80 80 A F + 0 0 76 -2,-0.5 -3,-0.0 1,-0.1 -30,-0.0 -0.974 17.1 168.4-131.3 144.9 -11.2 10.6 2.2 81 81 A S S S+ 0 0 56 -2,-0.3 3,-0.3 -35,-0.1 -1,-0.1 0.693 80.5 28.8-121.8 -47.7 -9.2 11.9 -0.8 82 82 A S S > S+ 0 0 31 1,-0.2 3,-0.8 -36,-0.1 -44,-0.1 0.583 98.2 82.6 -96.4 -9.5 -9.0 9.3 -3.6 83 83 A L T 3 + 0 0 38 1,-0.2 -1,-0.2 3,-0.1 -46,-0.0 0.095 61.3 107.4 -81.5 29.9 -12.2 7.5 -3.0 84 84 A H T 3 + 0 0 141 -3,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.906 62.3 71.1 -74.4 -40.5 -14.0 10.3 -5.0 85 85 A V S < S- 0 0 68 -3,-0.8 2,-1.6 1,-0.1 -3,-0.0 -0.471 89.1-123.3 -75.8 148.1 -14.7 8.1 -8.0 86 86 A R + 0 0 242 -2,-0.1 -1,-0.1 -51,-0.0 2,-0.1 -0.439 54.4 153.4 -90.1 66.4 -17.4 5.4 -7.6 87 87 A D - 0 0 62 -2,-1.6 2,-0.2 -51,-0.2 -52,-0.0 -0.310 47.6 -96.3 -85.2 175.2 -15.2 2.4 -8.6 88 88 A T - 0 0 111 -2,-0.1 -52,-1.2 1,-0.1 2,-0.2 -0.533 37.4-110.0 -90.7 161.0 -15.7 -1.1 -7.3 89 89 A K E -A 35 0A 88 -54,-0.2 2,-0.3 -2,-0.2 -54,-0.2 -0.588 31.8-159.5 -89.2 152.8 -13.9 -2.6 -4.3 90 90 A I E -A 34 0A 31 -56,-3.1 -56,-3.1 -2,-0.2 5,-0.0 -0.894 30.2 -84.8-130.0 160.6 -11.2 -5.4 -4.8 91 91 A E E > -A 33 0A 108 -2,-0.3 4,-2.1 -58,-0.3 3,-0.4 -0.337 35.2-127.0 -62.9 142.1 -9.6 -8.0 -2.5 92 92 A V H > S+ 0 0 14 -60,-1.6 4,-2.6 1,-0.2 5,-0.3 0.915 109.3 61.2 -59.1 -40.0 -6.7 -6.7 -0.5 93 93 A A H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 109.1 42.3 -54.4 -40.8 -4.5 -9.5 -1.7 94 94 A Q H > S+ 0 0 94 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.861 109.3 59.6 -75.3 -32.6 -5.0 -8.2 -5.3 95 95 A F H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.960 107.0 45.5 -60.0 -49.6 -4.5 -4.6 -4.1 96 96 A V H X S+ 0 0 28 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.934 112.7 51.2 -61.0 -44.3 -1.0 -5.3 -2.8 97 97 A K H X S+ 0 0 96 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.959 110.7 47.4 -60.0 -48.5 -0.1 -7.2 -6.0 98 98 A D H X S+ 0 0 78 -4,-2.8 4,-0.9 1,-0.2 3,-0.3 0.932 114.6 47.3 -60.0 -41.3 -1.3 -4.4 -8.2 99 99 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 -5,-0.3 3,-0.3 0.875 102.3 66.2 -67.0 -35.1 0.7 -1.9 -6.0 100 100 A L H X S+ 0 0 42 -4,-2.6 4,-1.7 1,-0.2 5,-0.3 0.893 94.5 57.0 -56.3 -40.0 3.7 -4.2 -6.1 101 101 A L H X S+ 0 0 87 -4,-1.4 4,-1.0 -3,-0.3 -1,-0.2 0.943 110.8 43.7 -60.0 -42.9 4.2 -3.7 -9.9 102 102 A H H X S+ 0 0 57 -4,-0.9 4,-2.1 -3,-0.3 5,-0.3 0.897 106.8 60.8 -69.9 -39.1 4.5 0.1 -9.3 103 103 A L H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.979 111.3 37.2 -55.1 -58.0 6.8 -0.2 -6.2 104 104 A K H X S+ 0 0 111 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.772 110.6 67.0 -66.5 -20.0 9.6 -2.0 -8.1 105 105 A K H >X S+ 0 0 109 -4,-1.0 4,-1.0 -5,-0.3 3,-0.7 0.957 97.9 48.4 -66.5 -48.1 8.8 0.3 -11.1 106 106 A L H 3X>S+ 0 0 39 -4,-2.1 4,-1.5 -3,-0.3 5,-1.0 0.839 102.3 66.7 -61.7 -28.7 9.9 3.5 -9.4 107 107 A F H 3<5S+ 0 0 97 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.915 94.6 56.4 -59.9 -40.0 13.1 1.7 -8.4 108 108 A R H <<5S+ 0 0 219 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.912 115.1 37.2 -60.0 -39.8 14.2 1.5 -12.0 109 109 A E H <5S- 0 0 107 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.621 101.4-136.2 -87.7 -10.6 13.9 5.3 -12.3 110 110 A G T <5 + 0 0 38 -4,-1.5 2,-1.1 1,-0.2 -3,-0.2 0.642 62.0 134.3 67.2 9.5 15.3 5.8 -8.8 111 111 A R < 0 0 173 -5,-1.0 -1,-0.2 -104,-0.0 -2,-0.1 -0.734 360.0 360.0 -94.3 94.5 12.5 8.5 -8.4 112 112 A F 0 0 88 -2,-1.1 -105,-0.1 -3,-0.1 -71,-0.0 -0.467 360.0 360.0 -87.8 360.0 11.0 7.6 -5.0