#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa n ASP 2 N 0.00 3.36 -2.16 -3.46 2.03 -1.26 -4.52 116.55 110.53 1xoa n ASP 2 Ca 0.00 -2.76 -0.29 0.00 0.52 0.00 0.00 54.79 52.26 1xoa n ASP 2 Cb 0.00 -1.49 0.06 0.00 -0.72 0.00 0.00 41.12 38.97 1xoa n ASP 2 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xoa n LYS 3 N 7.34 3.04 -3.66 -0.67 5.02 -1.26 -5.01 118.16 122.96 1xoa n LYS 3 Ca 0.49 -3.65 -0.37 0.00 -2.02 0.00 0.00 58.31 52.76 1xoa n LYS 3 Cb 0.43 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.11 1xoa n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xoa s ILE 4 N -4.66 5.25 -0.44 -0.18 1.01 -1.26 -4.65 121.20 116.26 1xoa s ILE 4 Ca 0.58 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.55 1xoa s ILE 4 Cb 0.47 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 39.38 1xoa s ILE 4 CO 0.01 0.58 0.86 -0.63 0.00 0.00 0.00 174.94 175.77 1xoa s ILE 5 N -0.96 4.57 -0.90 2.92 -1.09 -0.22 -4.86 121.20 120.67 1xoa s ILE 5 Ca 0.20 0.68 -0.24 0.00 -2.23 0.00 0.00 60.65 59.05 1xoa s ILE 5 Cb -0.14 -4.36 0.05 0.00 -1.58 0.00 0.00 42.46 36.42 1xoa s ILE 5 CO 0.09 -0.73 1.34 -1.00 -1.23 0.00 0.00 174.94 173.41 1xoa s HIS 6 N 3.51 2.49 0.66 3.97 3.76 -1.26 -0.36 115.29 128.06 1xoa s HIS 6 Ca 0.34 -0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 54.56 1xoa s HIS 6 Cb -0.11 -4.62 0.00 0.00 1.11 0.00 0.00 32.58 28.96 1xoa s HIS 6 CO 0.24 -1.94 1.03 -0.51 -0.85 0.00 0.00 174.74 172.70 1xoa s LEU 7 N 5.03 3.05 0.18 0.89 1.43 0.11 -4.98 118.68 124.38 1xoa s LEU 7 Ca 0.40 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 1xoa s LEU 7 Cb -0.04 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1xoa s LEU 7 CO -0.00 -1.18 -0.02 0.42 0.23 0.00 0.00 176.35 175.79 1xoa s THR 8 N -3.22 0.84 0.23 5.49 -4.23 -1.26 -4.22 115.64 109.26 1xoa s THR 8 Ca 0.56 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1xoa s THR 8 Cb -0.11 -2.09 0.19 0.00 1.34 0.00 0.00 72.50 71.83 1xoa s THR 8 CO 0.50 -0.52 1.79 -0.78 -0.54 0.00 0.00 174.62 175.07 1xoa h ASP 9 N 2.68 0.55 -0.37 3.99 1.82 -1.93 0.11 116.42 123.27 1xoa h ASP 9 Ca -0.37 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1xoa h ASP 9 Cb 1.20 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.15 1xoa h ASP 9 CO 0.63 0.32 0.24 0.44 -1.61 0.00 0.00 179.24 179.27 1xoa h ASP 10 N 0.68 0.43 1.14 2.28 5.19 -2.01 -2.97 116.42 121.16 1xoa h ASP 10 Ca 0.36 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.61 1xoa h ASP 10 Cb 0.35 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1xoa h ASP 10 CO -0.25 0.32 -0.69 0.77 -3.12 0.00 0.00 179.24 176.27 1xoa h SER 11 N 0.50 0.00 -0.83 6.45 4.64 -1.81 -3.37 113.55 119.13 1xoa h SER 11 Ca 0.14 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.58 1xoa h SER 11 Cb -0.05 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.91 1xoa h SER 11 CO -0.03 0.69 -0.34 0.33 -0.87 0.00 0.00 176.83 176.61 1xoa n PHE 12 N -3.36 -0.01 0.18 4.77 -0.00 0.32 -0.64 117.46 118.72 1xoa n PHE 12 Ca 0.01 1.03 -0.12 0.00 -0.00 0.00 0.00 57.45 58.37 1xoa n PHE 12 Cb 0.78 -0.79 -0.06 0.00 -0.00 0.00 0.00 39.48 39.40 1xoa n PHE 12 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1xoa h ASP 13 N 0.00 -0.89 -0.87 -2.13 3.58 -1.72 0.37 116.42 114.76 1xoa h ASP 13 Ca 0.28 0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.88 1xoa h ASP 13 Cb 0.48 0.29 -0.07 0.00 1.72 0.00 0.00 39.33 41.76 1xoa h ASP 13 CO -0.82 -0.42 0.52 0.74 -2.88 0.00 0.00 179.24 176.38 1xoa h THR 14 N -0.64 0.98 0.00 2.25 2.02 -1.57 -0.77 112.91 115.18 1xoa h THR 14 Ca -0.04 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1xoa h THR 14 Cb 0.56 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xoa h THR 14 CO -0.04 0.17 -0.13 0.44 0.37 0.00 0.00 175.52 176.32 1xoa h ASP 15 N 0.91 0.00 0.00 4.18 5.19 -0.81 -3.35 116.42 122.54 1xoa h ASP 15 Ca 0.40 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 1xoa h ASP 15 Cb 0.28 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 1xoa h ASP 15 CO -0.21 0.64 -0.12 0.58 -3.12 0.00 0.00 179.24 177.00 1xoa h VAL 16 N -1.00 1.33 0.00 -1.35 2.07 -0.33 -2.88 116.25 114.08 1xoa h VAL 16 Ca -0.01 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 1xoa h VAL 16 Cb 0.25 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1xoa h VAL 16 CO -0.01 0.45 -0.21 -0.07 0.02 0.00 0.00 177.57 177.75 1xoa h LEU 17 N -1.00 0.00 -3.98 2.57 3.38 -0.85 -0.49 115.31 114.94 1xoa h LEU 17 Ca -0.03 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.29 1xoa h LEU 17 Cb 0.82 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.24 1xoa h LEU 17 CO -0.02 0.21 0.42 0.29 0.09 0.00 0.00 178.44 179.43 1xoa n LYS 18 N -4.29 2.95 -1.67 1.13 5.02 -1.02 -3.57 118.16 116.71 1xoa n LYS 18 Ca -0.02 -3.55 -0.54 0.00 -2.02 0.00 0.00 58.31 52.18 1xoa n LYS 18 Cb 0.27 -2.29 -0.06 0.00 -0.02 0.00 0.00 35.03 32.93 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xoa n ALA 19 N -0.84 -0.19 -1.17 7.82 0.00 -0.20 -4.83 120.51 121.10 1xoa n ALA 19 Ca 0.57 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 54.09 1xoa n ALA 19 Cb 0.72 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 1xoa n ALA 19 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xoa n ASP 20 N 4.49 6.85 0.00 0.00 5.75 -1.26 -4.11 116.55 128.28 1xoa n ASP 20 Ca 0.23 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 1xoa n ASP 20 Cb 0.18 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 38.86 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xoa n GLY 21 N 3.73 0.61 3.25 6.12 0.00 -1.26 -4.97 105.19 112.68 1xoa n GLY 21 Ca 0.65 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1xoa n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoa s ALA 22 N -2.00 2.59 -0.15 4.61 0.00 -1.26 -0.60 121.76 124.95 1xoa s ALA 22 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1xoa s ALA 22 Cb 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1xoa s ALA 22 CO 0.00 -0.26 -0.15 0.42 0.00 0.00 0.00 175.76 175.77 1xoa s ILE 23 N 1.17 2.65 -0.47 0.00 1.01 0.21 -0.52 121.20 125.26 1xoa s ILE 23 Ca 0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 1xoa s ILE 23 Cb -0.14 -2.12 0.09 0.00 0.01 0.00 0.00 42.46 40.30 1xoa s ILE 23 CO -0.04 0.52 0.36 -0.22 0.00 0.00 0.00 174.94 175.55 1xoa s LEU 24 N 0.80 5.58 -0.37 2.97 2.96 -0.09 -0.19 118.68 130.34 1xoa s LEU 24 Ca -0.06 -1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 52.08 1xoa s LEU 24 Cb -0.15 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1xoa s LEU 24 CO 0.00 -0.66 0.68 -0.69 -1.32 0.00 0.00 176.35 174.37 1xoa s VAL 25 N 1.52 4.83 -0.36 1.68 1.01 0.44 -0.24 120.40 129.27 1xoa s VAL 25 Ca 0.04 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 1xoa s VAL 25 Cb -0.25 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 1xoa s VAL 25 CO 0.03 -0.38 0.45 -0.62 0.00 0.00 0.00 175.10 174.59 1xoa s ASP 26 N 1.83 6.25 -0.07 3.32 3.68 0.40 -0.64 116.67 131.44 1xoa s ASP 26 Ca 0.26 -0.20 -0.27 0.00 2.13 0.00 0.00 52.55 54.48 1xoa s ASP 26 Cb -0.14 -2.24 -0.03 0.00 -1.45 0.00 0.00 42.92 39.07 1xoa s ASP 26 CO 0.16 -0.45 0.87 -0.36 0.13 0.00 0.00 175.17 175.52 1xoa s PHE 27 N 2.23 3.57 0.27 -5.34 0.40 0.01 -0.75 117.98 118.37 1xoa s PHE 27 Ca 0.15 1.46 0.01 0.00 -0.60 0.00 0.00 56.93 57.95 1xoa s PHE 27 Cb -0.16 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 1xoa s PHE 27 CO 0.13 -0.06 0.27 1.67 0.70 0.00 0.00 175.22 177.93 1xoa s TRP 28 N 1.31 1.28 0.03 0.36 1.48 0.01 -3.30 118.94 120.11 1xoa s TRP 28 Ca 0.44 -1.40 -0.08 0.00 -1.06 0.00 0.00 56.10 54.00 1xoa s TRP 28 Cb -0.19 -0.47 -0.00 0.00 -1.16 0.00 0.00 33.47 31.66 1xoa s TRP 28 CO 0.20 -0.84 0.16 0.00 -4.06 0.00 0.00 176.95 172.41 1xoa s ALA 29 N -3.72 -0.27 0.25 2.67 0.00 -1.26 -0.46 121.76 118.97 1xoa s ALA 29 Ca 0.37 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1xoa s ALA 29 Cb 0.03 0.24 0.46 0.00 0.00 0.00 0.00 23.12 23.85 1xoa s ALA 29 CO 0.19 -0.32 1.75 1.49 0.00 0.00 0.00 175.76 178.87 1xoa h GLU 30 N 3.67 0.52 -0.00 0.00 4.81 -1.99 0.26 114.58 121.85 1xoa h GLU 30 Ca -0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1xoa h GLU 30 Cb 1.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xoa h GLU 30 CO 0.47 0.34 -0.00 -2.67 -0.73 0.00 0.00 179.01 176.43 1xoa n TRP 31 N -4.93 0.00 -2.44 0.92 4.27 -1.26 -4.65 117.44 109.35 1xoa n TRP 31 Ca 0.15 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.33 1xoa n TRP 31 Cb 0.39 -0.12 -0.00 0.00 -1.36 0.00 0.00 31.31 30.22 1xoa n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xoa h GLY 33 N 12.55 -0.48 0.85 0.00 0.00 -1.85 0.16 103.07 114.29 1xoa h GLY 33 Ca 0.45 0.65 0.14 0.00 0.00 0.00 0.00 47.33 48.57 1xoa h GLY 33 CO 1.50 -0.09 0.44 -2.55 0.00 0.00 0.00 176.54 175.84 1xoa h PRO 34 N -0.09 0.24 -0.16 4.80 0.11 -1.94 0.12 132.00 135.08 1xoa h PRO 34 Ca 0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1xoa h PRO 34 Cb 0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1xoa h PRO 34 CO -0.86 0.16 0.03 0.00 -0.21 0.00 0.00 178.00 177.11 1xoa h LYS 36 N 0.05 1.25 -0.44 0.00 1.79 -0.48 0.52 116.57 119.27 1xoa h LYS 36 Ca 0.05 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1xoa h LYS 36 Cb 0.30 -0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1xoa h LYS 36 CO 0.00 0.83 0.25 1.98 -1.08 0.00 0.00 179.45 181.43 1xoa h MET 37 N 1.29 0.48 0.00 3.15 4.05 -0.34 -2.72 114.93 120.84 1xoa h MET 37 Ca 0.36 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.64 1xoa h MET 37 Cb -0.11 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.57 1xoa h MET 37 CO -0.09 0.32 -0.56 -0.84 0.23 0.00 0.00 176.91 175.97 1xoa h ILE 38 N 0.50 1.08 -0.80 1.77 3.07 -0.52 -3.38 117.51 119.23 1xoa h ILE 38 Ca 0.18 -2.16 0.10 0.00 1.55 0.00 0.00 64.86 64.53 1xoa h ILE 38 Cb 0.04 2.29 -0.11 0.00 -0.27 0.00 0.00 36.82 38.76 1xoa h ILE 38 CO -0.09 0.54 -0.38 0.00 -1.05 0.00 0.00 178.15 177.17 1xoa n ALA 39 N -2.29 -0.28 -0.32 0.16 0.00 0.13 0.20 120.51 118.11 1xoa n ALA 39 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 53.44 54.25 1xoa n ALA 39 Cb 0.67 -0.25 0.26 0.00 0.00 0.00 0.00 19.45 20.13 1xoa n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xoa h PRO 40 N 0.00 0.94 -0.13 0.00 0.13 -1.74 0.15 132.00 131.36 1xoa h PRO 40 Ca 0.21 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xoa h PRO 40 Cb 0.41 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1xoa h PRO 40 CO -0.77 0.62 0.07 0.82 -0.23 0.00 0.00 178.00 178.51 1xoa h ILE 41 N 0.97 1.11 -0.80 -3.56 2.04 -0.48 -0.09 117.51 116.70 1xoa h ILE 41 Ca 0.44 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 66.05 1xoa h ILE 41 Cb 0.38 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1xoa h ILE 41 CO -0.19 0.10 0.47 -0.07 0.00 0.00 0.00 178.15 178.46 1xoa h LEU 42 N 0.10 0.71 -0.16 1.44 3.38 0.15 0.11 115.31 121.04 1xoa h LEU 42 Ca 0.05 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xoa h LEU 42 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xoa h LEU 42 CO -0.01 0.44 0.07 0.44 0.09 0.00 0.00 178.44 179.48 1xoa h ASP 43 N 0.84 0.09 -0.07 -0.43 3.32 -0.25 0.10 116.42 120.03 1xoa h ASP 43 Ca 0.36 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.43 1xoa h ASP 43 Cb 0.23 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1xoa h ASP 43 CO -0.20 0.08 0.02 -0.33 -1.72 0.00 0.00 179.24 177.09 1xoa h GLU 44 N 0.15 0.05 -0.64 3.56 5.08 -0.30 0.22 114.58 122.70 1xoa h GLU 44 Ca 0.07 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1xoa h GLU 44 Cb 0.03 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.18 1xoa h GLU 44 CO -0.06 0.03 0.19 0.82 -1.00 0.00 0.00 179.01 179.00 1xoa h ILE 45 N 0.05 0.67 -0.69 3.13 1.08 -0.46 0.11 117.51 121.41 1xoa h ILE 45 Ca 0.03 -0.11 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 1xoa h ILE 45 Cb 0.02 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 1xoa h ILE 45 CO -0.04 0.06 0.46 0.00 -0.69 0.00 0.00 178.15 177.95 1xoa h ALA 46 N 1.49 2.16 0.04 1.87 0.00 -0.39 0.11 119.26 124.53 1xoa h ALA 46 Ca 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xoa h ALA 46 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xoa h ALA 46 CO -0.39 -0.34 -0.02 0.22 0.00 0.00 0.00 179.25 178.73 1xoa h ASP 47 N 0.35 -0.04 -0.78 0.00 3.58 -0.62 -2.54 116.42 116.37 1xoa h ASP 47 Ca 0.33 -0.47 0.16 0.00 0.42 0.00 0.00 57.03 57.47 1xoa h ASP 47 Cb 0.81 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.76 1xoa h ASP 47 CO -0.09 0.67 0.27 -0.33 -2.88 0.00 0.00 179.24 176.88 1xoa h GLU 48 N -0.97 0.36 -0.54 0.28 5.08 -0.41 -0.93 114.58 117.45 1xoa h GLU 48 Ca -0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1xoa h GLU 48 Cb 0.51 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1xoa h GLU 48 CO 0.01 0.24 0.09 0.66 -1.00 0.00 0.00 179.01 179.01 1xoa n TYR 49 N -5.07 1.88 -1.62 4.33 4.02 0.32 -5.03 117.16 115.99 1xoa n TYR 49 Ca 0.16 -0.99 -0.46 0.00 -0.01 0.00 0.00 57.90 56.59 1xoa n TYR 49 Cb 0.48 -0.53 -0.03 0.00 -0.02 0.00 0.00 39.34 39.24 1xoa n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xoa n GLN 50 N -0.05 1.53 0.00 -0.72 10.64 -0.36 -0.66 117.38 127.76 1xoa n GLN 50 Ca 0.31 0.54 0.00 0.00 -1.83 0.00 0.00 57.00 56.03 1xoa n GLN 50 Cb 1.18 -2.07 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xoa n GLY 51 N 1.84 2.79 0.13 2.61 0.00 -1.26 -4.68 105.19 106.62 1xoa n GLY 51 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1xoa n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xoa n LYS 52 N -1.29 0.62 -4.27 1.61 5.02 -0.13 -4.92 118.16 114.79 1xoa n LYS 52 Ca 0.00 0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 1xoa n LYS 52 Cb 0.00 -1.52 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 1xoa n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xoa s LEU 53 N -7.07 2.22 -0.54 -0.35 2.96 0.16 -4.18 118.68 111.87 1xoa s LEU 53 Ca -0.36 -0.60 -0.20 0.00 -0.22 0.00 0.00 54.13 52.75 1xoa s LEU 53 Cb 0.12 -1.50 0.07 0.00 0.50 0.00 0.00 46.19 45.38 1xoa s LEU 53 CO 0.55 0.03 0.69 -0.89 -1.32 0.00 0.00 176.35 175.40 1xoa s THR 54 N 1.15 4.80 0.20 3.68 2.01 0.33 -4.56 115.64 123.24 1xoa s THR 54 Ca 0.01 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1xoa s THR 54 Cb -0.14 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 67.90 1xoa s THR 54 CO -0.08 -0.95 0.98 -0.69 -0.69 0.00 0.00 174.62 173.18 1xoa s VAL 55 N 2.81 4.11 0.04 3.82 1.01 -1.26 -0.92 120.40 130.02 1xoa s VAL 55 Ca 0.15 1.97 0.02 0.00 0.00 0.00 0.00 61.98 64.13 1xoa s VAL 55 Cb -0.20 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1xoa s VAL 55 CO 0.11 0.41 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 1xoa s ALA 56 N -0.73 0.55 -0.03 5.51 0.00 0.66 -1.05 121.76 126.67 1xoa s ALA 56 Ca 0.44 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1xoa s ALA 56 Cb -0.26 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1xoa s ALA 56 CO 0.33 -0.06 -0.14 0.15 0.00 0.00 0.00 175.76 176.04 1xoa s LYS 57 N -1.81 1.35 -0.12 0.00 1.02 0.52 -0.45 119.74 120.25 1xoa s LYS 57 Ca -0.09 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1xoa s LYS 57 Cb -0.08 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 36.03 1xoa s LYS 57 CO -0.00 0.21 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.35 1xoa s LEU 58 N 0.02 1.47 -0.56 3.17 0.20 0.07 -0.72 118.68 122.33 1xoa s LEU 58 Ca -0.02 -0.37 -0.26 0.00 0.69 0.00 0.00 54.13 54.17 1xoa s LEU 58 Cb -0.09 -0.97 0.03 0.00 -0.43 0.00 0.00 46.19 44.73 1xoa s LEU 58 CO 0.01 -0.06 1.07 0.21 -0.29 0.00 0.00 176.35 177.28 1xoa s ASN 59 N 1.40 6.41 0.46 3.68 3.84 -1.26 -0.81 114.94 128.66 1xoa s ASN 59 Ca 0.01 -0.08 0.22 0.00 0.21 0.00 0.00 52.86 53.22 1xoa s ASN 59 Cb -0.13 -2.50 1.13 0.00 -0.55 0.00 0.00 41.25 39.20 1xoa s ASN 59 CO -0.06 -1.34 1.95 0.16 -2.79 0.00 0.00 177.10 175.02 1xoa h ILE 60 N 6.10 0.78 0.02 -5.21 -0.00 -0.97 -0.24 117.51 117.97 1xoa h ILE 60 Ca -0.25 -0.86 0.01 0.00 -0.00 0.00 0.00 64.86 63.76 1xoa h ILE 60 Cb 1.06 1.52 -0.01 0.00 -0.00 0.00 0.00 36.82 39.39 1xoa h ILE 60 CO 1.13 0.21 -0.07 0.44 -0.00 0.00 0.00 178.15 179.86 1xoa h ASP 61 N 0.00 -0.19 0.86 2.16 3.32 -1.91 -0.82 116.42 119.84 1xoa h ASP 61 Ca -0.00 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.86 1xoa h ASP 61 Cb 0.51 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1xoa h ASP 61 CO 0.03 -0.10 -0.99 1.56 -1.72 0.00 0.00 179.24 178.02 1xoa h GLN 62 N -0.13 0.06 -2.20 3.56 1.08 -1.93 -3.38 115.11 112.17 1xoa h GLN 62 Ca 0.02 -0.09 -0.59 0.00 -1.45 0.00 0.00 58.65 56.53 1xoa h GLN 62 Cb 0.15 0.03 -0.42 0.00 -0.05 0.00 0.00 27.48 27.20 1xoa h GLN 62 CO -0.05 0.99 -0.66 0.09 -0.95 0.00 0.00 178.83 178.25 1xoa n ASN 63 N -3.46 3.70 0.22 1.46 3.02 -0.11 -4.95 115.26 115.15 1xoa n ASN 63 Ca -0.02 -3.47 -0.15 0.00 -0.03 0.00 0.00 54.58 50.91 1xoa n ASN 63 Cb 0.91 -0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 1xoa n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xoa h PRO 64 N 3.74 -0.51 -0.87 3.52 0.13 -1.35 -3.26 132.00 133.40 1xoa h PRO 64 Ca 0.17 0.03 0.24 0.00 -0.87 0.00 0.00 66.00 65.57 1xoa h PRO 64 Cb 0.63 0.12 -0.16 0.00 0.13 0.00 0.00 31.00 31.71 1xoa h PRO 64 CO 0.80 -0.29 0.03 0.41 -0.23 0.00 0.00 178.00 178.72 1xoa n GLY 65 N -1.07 -1.17 0.37 1.56 0.00 -1.26 -0.38 105.19 103.23 1xoa n GLY 65 Ca -0.11 0.85 0.12 0.00 0.00 0.00 0.00 46.02 46.89 1xoa n GLY 65 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xoa h THR 66 N 0.00 0.77 0.30 2.61 1.35 -1.96 -0.53 112.91 115.45 1xoa h THR 66 Ca 0.53 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 66.12 1xoa h THR 66 Cb 1.11 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1xoa h THR 66 CO -0.82 0.14 -0.15 0.00 -0.25 0.00 0.00 175.52 174.45 1xoa h ALA 67 N 1.61 -1.04 -0.71 6.62 0.00 -0.89 -1.58 119.26 123.26 1xoa h ALA 67 Ca 0.53 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.49 1xoa h ALA 67 Cb 0.82 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1xoa h ALA 67 CO -0.30 -1.01 0.22 -1.35 0.00 0.00 0.00 179.25 176.82 1xoa h PRO 68 N -0.43 0.34 -0.60 0.00 0.11 -1.65 -0.00 132.00 129.76 1xoa h PRO 68 Ca -0.04 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.15 1xoa h PRO 68 Cb 0.31 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.27 1xoa h PRO 68 CO 0.07 0.22 0.16 0.87 -0.21 0.00 0.00 178.00 179.11 1xoa h LYS 69 N 0.35 0.29 -0.67 1.05 1.57 -1.04 0.89 116.57 119.01 1xoa h LYS 69 Ca 0.39 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1xoa h LYS 69 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xoa h LYS 69 CO -0.43 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.30 1xoa n TYR 70 N -5.09 1.51 -4.14 -1.35 4.01 -0.60 -4.94 117.16 106.56 1xoa n TYR 70 Ca 0.09 -0.53 -0.31 0.00 -0.16 0.00 0.00 57.90 56.98 1xoa n TYR 70 Cb 0.31 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 38.92 1xoa n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xoa n GLY 71 N 0.55 -0.29 3.73 2.72 0.00 0.31 -4.88 105.19 107.33 1xoa n GLY 71 Ca 0.21 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1xoa n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xoa n ILE 72 N -4.41 1.13 0.12 -0.61 -0.00 -0.18 -4.93 119.36 110.48 1xoa n ILE 72 Ca -0.16 -0.28 -0.20 0.00 -0.00 0.00 0.00 62.75 62.11 1xoa n ILE 72 Cb 0.61 -1.82 -0.14 0.00 -0.00 0.00 0.00 39.64 38.29 1xoa n ILE 72 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1xoa h ARG 73 N 4.38 0.45 0.00 0.38 -0.00 -1.91 -3.46 114.38 114.22 1xoa h ARG 73 Ca -0.47 -0.70 0.00 0.00 -0.50 0.00 0.00 59.98 58.31 1xoa h ARG 73 Cb 1.24 0.25 0.00 0.00 0.00 0.00 0.00 29.97 31.46 1xoa h ARG 73 CO 0.76 1.32 0.00 0.41 0.00 0.00 0.00 179.97 182.47 1xoa n GLY 74 N 1.52 0.79 2.90 0.04 0.00 -1.26 -5.15 105.19 104.03 1xoa n GLY 74 Ca -0.12 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1xoa n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xoa s ILE 75 N -2.06 0.08 0.46 -0.61 -4.36 -1.26 -3.97 121.20 109.49 1xoa s ILE 75 Ca 0.00 -0.15 -0.22 0.00 -0.26 0.00 0.00 60.65 60.02 1xoa s ILE 75 Cb 0.00 -0.10 -0.08 0.00 1.25 0.00 0.00 42.46 43.54 1xoa s ILE 75 CO 0.00 -0.04 1.11 -2.16 0.24 0.00 0.00 174.94 174.08 1xoa s PRO 76 N -0.20 3.80 -0.10 0.37 0.04 -1.26 -4.88 135.00 132.77 1xoa s PRO 76 Ca -0.02 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 1xoa s PRO 76 Cb -0.02 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.26 1xoa s PRO 76 CO -0.00 -0.48 0.22 0.99 0.04 0.00 0.00 177.00 177.77 1xoa s THR 77 N -1.69 -0.14 -0.22 1.26 2.01 -1.21 -0.15 115.64 115.51 1xoa s THR 77 Ca 0.64 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.76 1xoa s THR 77 Cb -0.24 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1xoa s THR 77 CO 0.29 0.08 0.11 -0.76 -0.69 0.00 0.00 174.62 173.65 1xoa s LEU 78 N 1.57 3.88 -0.20 4.42 1.43 0.42 -0.81 118.68 129.39 1xoa s LEU 78 Ca -0.06 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1xoa s LEU 78 Cb -0.11 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1xoa s LEU 78 CO -0.08 0.09 -0.13 -0.76 0.23 0.00 0.00 176.35 175.70 1xoa s LEU 79 N 0.89 2.48 -0.54 1.79 1.02 0.19 -0.48 118.68 124.03 1xoa s LEU 79 Ca 0.05 -0.53 -0.18 0.00 0.02 0.00 0.00 54.13 53.50 1xoa s LEU 79 Cb -0.13 -1.60 0.09 0.00 0.02 0.00 0.00 46.19 44.57 1xoa s LEU 79 CO 0.03 -0.00 0.59 -0.22 0.02 0.00 0.00 176.35 176.77 1xoa s LEU 80 N 1.35 5.51 -0.40 1.79 2.96 0.11 -0.42 118.68 129.58 1xoa s LEU 80 Ca 0.05 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.38 1xoa s LEU 80 Cb -0.14 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1xoa s LEU 80 CO -0.08 -0.93 0.58 -0.36 -1.32 0.00 0.00 176.35 174.23 1xoa s PHE 81 N 2.26 3.12 -0.39 5.38 0.40 0.73 -0.26 117.98 129.23 1xoa s PHE 81 Ca 0.09 0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.28 1xoa s PHE 81 Cb -0.24 -3.14 0.01 0.00 0.51 0.00 0.00 43.02 40.15 1xoa s PHE 81 CO 0.07 -0.72 0.41 0.15 0.70 0.00 0.00 175.22 175.83 1xoa s LYS 82 N 2.59 3.30 -1.58 0.44 1.02 0.44 -0.62 119.74 125.34 1xoa s LYS 82 Ca 0.20 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 1xoa s LYS 82 Cb -0.15 -3.90 0.13 0.00 -0.52 0.00 0.00 37.83 33.39 1xoa s LYS 82 CO 0.16 -0.72 0.78 -1.71 -0.92 0.00 0.00 175.35 172.95 1xoa n ASN 83 N 5.52 -3.79 0.00 2.83 5.15 0.23 -0.53 115.26 124.67 1xoa n ASN 83 Ca -0.08 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1xoa n ASN 83 Cb 0.48 -3.08 0.00 0.00 -0.53 0.00 0.00 39.78 36.65 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xoa n GLY 84 N -1.41 2.71 3.63 8.20 0.00 -1.21 -4.67 105.19 112.44 1xoa n GLY 84 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1xoa n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xoa s GLU 85 N -0.50 4.13 -0.36 1.61 8.01 0.31 -4.83 118.70 127.07 1xoa s GLU 85 Ca 0.00 0.51 -0.27 0.00 0.01 0.00 0.00 54.97 55.21 1xoa s GLU 85 Cb 0.00 -3.63 -0.04 0.00 -4.31 0.00 0.00 34.13 26.15 1xoa s GLU 85 CO 0.00 -0.35 2.14 0.08 0.01 0.00 0.00 175.26 177.15 1xoa s VAL 86 N 2.28 3.15 -0.02 2.63 1.01 -1.26 -0.42 120.40 127.77 1xoa s VAL 86 Ca 0.26 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1xoa s VAL 86 Cb -0.16 -3.25 -0.32 0.00 0.00 0.00 0.00 36.38 32.65 1xoa s VAL 86 CO 0.09 -0.19 0.93 0.00 0.00 0.00 0.00 175.10 175.93 1xoa h ALA 87 N 15.80 -0.10 -3.00 5.51 0.00 -0.97 -3.48 119.26 133.02 1xoa h ALA 87 Ca -0.33 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 53.90 1xoa h ALA 87 Cb 1.22 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1xoa h ALA 87 CO 1.06 0.46 0.22 0.00 0.00 0.00 0.00 179.25 180.99 1xoa s ALA 88 N -2.51 -1.25 0.12 0.00 0.00 -1.22 -5.04 121.76 111.86 1xoa s ALA 88 Ca -0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 1xoa s ALA 88 Cb 0.02 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1xoa s ALA 88 CO 0.86 -1.00 0.17 0.95 0.00 0.00 0.00 175.76 176.74 1xoa s THR 89 N -3.90 0.11 -0.06 0.00 -4.23 -1.26 -0.71 115.64 105.58 1xoa s THR 89 Ca 0.10 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1xoa s THR 89 Cb -0.05 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.11 1xoa s THR 89 CO 0.05 -0.52 0.12 -0.75 -0.54 0.00 0.00 174.62 172.98 1xoa s LYS 90 N -3.95 -0.00 -0.13 3.99 2.36 0.37 -4.99 119.74 117.38 1xoa s LYS 90 Ca 0.14 0.46 -0.13 0.00 -2.55 0.00 0.00 55.97 53.89 1xoa s LYS 90 Cb 0.05 -0.34 -0.05 0.00 -1.05 0.00 0.00 37.83 36.45 1xoa s LYS 90 CO -0.04 -0.29 0.29 0.08 1.55 0.00 0.00 175.35 176.94 1xoa s VAL 91 N 2.07 5.29 0.00 4.02 1.01 -1.26 -0.44 120.40 131.08 1xoa s VAL 91 Ca 0.02 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1xoa s VAL 91 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1xoa s VAL 91 CO -0.05 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1xoa n GLY 92 N 3.03 -1.30 3.69 4.51 0.00 0.79 -4.99 105.19 110.93 1xoa n GLY 92 Ca -0.13 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1xoa n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoa s ALA 93 N -2.28 1.11 0.19 4.61 0.00 -1.26 -4.77 121.76 119.36 1xoa s ALA 93 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 1xoa s ALA 93 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1xoa s ALA 93 CO 0.00 -2.72 0.73 -0.48 0.00 0.00 0.00 175.76 173.29 1xoa s LEU 94 N -6.38 -0.36 0.67 0.00 2.34 -1.26 -5.14 118.68 108.54 1xoa s LEU 94 Ca 0.65 -0.32 -0.12 0.00 0.06 0.00 0.00 54.13 54.41 1xoa s LEU 94 Cb -0.18 2.53 -0.01 0.00 -0.56 0.00 0.00 46.19 47.98 1xoa s LEU 94 CO 0.57 -1.08 1.05 -0.94 -1.06 0.00 0.00 176.35 174.89 1xoa s SER 95 N -2.82 5.57 0.20 1.48 1.04 -1.26 -4.84 113.70 113.07 1xoa s SER 95 Ca 0.07 1.61 -0.11 0.00 0.48 0.00 0.00 55.95 58.01 1xoa s SER 95 Cb -0.03 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.84 1xoa s SER 95 CO -0.02 -1.31 1.72 0.50 0.98 0.00 0.00 173.24 175.10 1xoa h LYS 96 N -0.49 0.27 0.24 4.02 3.64 -1.99 0.18 116.57 122.43 1xoa h LYS 96 Ca -0.44 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1xoa h LYS 96 Cb 1.21 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1xoa h LYS 96 CO 0.58 0.18 -0.38 0.78 -2.27 0.00 0.00 179.45 178.33 1xoa h GLY 97 N 0.27 -0.83 0.41 5.01 0.00 -1.99 0.83 103.07 106.77 1xoa h GLY 97 Ca 0.29 0.45 0.09 0.00 0.00 0.00 0.00 47.33 48.16 1xoa h GLY 97 CO -0.36 -0.29 0.20 1.46 0.00 0.00 0.00 176.54 177.56 1xoa h GLN 98 N -0.69 0.37 0.13 4.80 4.20 -1.77 0.76 115.11 122.90 1xoa h GLN 98 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xoa h GLN 98 Cb 0.67 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1xoa h GLN 98 CO -0.15 0.24 -0.06 1.25 -0.67 0.00 0.00 178.83 179.44 1xoa h LEU 99 N 0.38 -0.14 -0.34 1.46 5.85 -0.58 0.11 115.31 122.04 1xoa h LEU 99 Ca 0.29 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1xoa h LEU 99 Cb 0.35 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1xoa h LEU 99 CO -0.30 -0.08 0.05 0.11 -0.34 0.00 0.00 178.44 177.87 1xoa h LYS 100 N -0.19 0.15 0.05 1.25 1.57 -0.33 0.11 116.57 119.18 1xoa h LYS 100 Ca -0.02 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xoa h LYS 100 Cb 0.15 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1xoa h LYS 100 CO 0.03 0.10 -0.11 0.93 -0.57 0.00 0.00 179.45 179.83 1xoa h GLU 101 N 0.16 -0.20 0.01 3.15 5.08 -0.65 0.34 114.58 122.47 1xoa h GLU 101 Ca 0.16 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1xoa h GLU 101 Cb 0.20 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1xoa h GLU 101 CO -0.23 -0.13 -0.25 0.35 -1.00 0.00 0.00 179.01 177.74 1xoa h PHE 102 N -0.21 -0.67 -0.10 4.33 3.57 -0.42 0.11 116.94 123.55 1xoa h PHE 102 Ca 0.02 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1xoa h PHE 102 Cb 0.23 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1xoa h PHE 102 CO -0.15 -0.34 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.49 1xoa h LEU 103 N -0.40 -0.10 -0.10 0.59 3.38 -0.80 0.31 115.31 118.20 1xoa h LEU 103 Ca 0.06 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1xoa h LEU 103 Cb 0.47 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1xoa h LEU 103 CO -0.21 -0.04 -0.17 -0.78 0.09 0.00 0.00 178.44 177.33 1xoa h ASP 104 N -0.00 -0.51 -0.70 -0.43 3.58 -0.65 0.11 116.42 117.83 1xoa h ASP 104 Ca 0.05 0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.65 1xoa h ASP 104 Cb 0.08 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 1xoa h ASP 104 CO -0.11 -0.22 0.46 0.00 -2.88 0.00 0.00 179.24 176.49 1xoa h ALA 105 N 0.79 1.70 0.01 -0.78 0.00 -0.44 0.15 119.26 120.69 1xoa h ALA 105 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xoa h ALA 105 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xoa h ALA 105 CO -0.23 0.19 -0.00 -0.91 0.00 0.00 0.00 179.25 178.30 1xoa h ASN 106 N 0.74 -0.01 -0.58 0.00 2.35 -0.24 -3.34 115.58 114.50 1xoa h ASN 106 Ca 0.30 -0.83 -0.05 0.00 -0.55 0.00 0.00 56.30 55.16 1xoa h ASN 106 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1xoa h ASN 106 CO -0.09 0.87 0.18 -0.07 -1.65 0.00 0.00 177.43 176.66 1xoa h LEU 107 N -0.93 0.85 0.00 1.61 3.38 -0.69 -3.51 115.31 116.02 1xoa h LEU 107 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xoa h LEU 107 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xoa h LEU 107 CO 0.00 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.36