#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa s ASP 2 N 0.00 5.69 -0.37 6.43 2.15 -1.26 -3.98 116.67 125.32 1xoa s ASP 2 Ca 0.00 -0.95 0.06 0.00 0.43 0.00 0.00 52.55 52.08 1xoa s ASP 2 Cb 0.00 -2.56 0.47 0.00 -0.30 0.00 0.00 42.92 40.53 1xoa s ASP 2 CO 0.00 -2.24 1.46 0.29 -0.17 0.00 0.00 175.17 174.50 1xoa n LYS 3 N 8.88 2.85 -3.91 4.34 4.76 -1.26 -5.03 118.16 128.79 1xoa n LYS 3 Ca 0.36 -3.68 -0.36 0.00 -2.87 0.00 0.00 58.31 51.76 1xoa n LYS 3 Cb 0.49 -2.13 -0.07 0.00 -1.84 0.00 0.00 35.03 31.48 1xoa n LYS 3 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xoa s ILE 4 N -4.23 5.35 -0.29 -0.18 1.01 -1.26 -4.38 121.20 117.22 1xoa s ILE 4 Ca 0.52 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 61.14 1xoa s ILE 4 Cb 0.43 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1xoa s ILE 4 CO 0.01 0.59 0.51 -0.63 0.00 0.00 0.00 174.94 175.42 1xoa s ILE 5 N -0.76 5.05 -0.64 2.92 -1.09 -0.14 -4.91 121.20 121.64 1xoa s ILE 5 Ca 0.13 0.72 -0.23 0.00 -2.23 0.00 0.00 60.65 59.04 1xoa s ILE 5 Cb -0.12 -3.86 0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1xoa s ILE 5 CO 0.03 -0.00 0.96 -1.00 -1.23 0.00 0.00 174.94 173.69 1xoa s HIS 6 N 2.33 2.70 0.62 3.97 3.76 -1.26 -0.36 115.29 127.05 1xoa s HIS 6 Ca 0.20 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1xoa s HIS 6 Cb -0.16 -4.23 0.04 0.00 1.11 0.00 0.00 32.58 29.34 1xoa s HIS 6 CO 0.10 -1.58 0.91 -0.51 -0.85 0.00 0.00 174.74 172.81 1xoa s LEU 7 N 4.04 3.08 0.13 0.89 1.43 0.09 -4.98 118.68 123.36 1xoa s LEU 7 Ca 0.24 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1xoa s LEU 7 Cb -0.16 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1xoa s LEU 7 CO 0.12 -1.30 -0.03 0.42 0.23 0.00 0.00 176.35 175.78 1xoa s THR 8 N -3.03 0.68 0.23 5.49 -4.23 -1.26 -4.46 115.64 109.06 1xoa s THR 8 Ca 0.57 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1xoa s THR 8 Cb -0.11 -1.89 0.19 0.00 1.34 0.00 0.00 72.50 72.03 1xoa s THR 8 CO 0.43 -0.68 1.77 -0.78 -0.54 0.00 0.00 174.62 174.82 1xoa h ASP 9 N 2.84 0.45 -0.36 3.99 1.82 -1.94 1.00 116.42 124.22 1xoa h ASP 9 Ca -0.36 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1xoa h ASP 9 Cb 1.18 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 1xoa h ASP 9 CO 0.64 0.24 0.22 0.44 -1.61 0.00 0.00 179.24 179.16 1xoa h ASP 10 N 0.58 0.43 1.24 2.28 5.19 -2.01 -3.02 116.42 121.11 1xoa h ASP 10 Ca 0.38 -0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.61 1xoa h ASP 10 Cb 0.45 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1xoa h ASP 10 CO -0.30 0.35 -0.59 0.77 -3.12 0.00 0.00 179.24 176.35 1xoa h SER 11 N 0.47 0.00 -0.80 6.45 4.64 -1.79 -3.37 113.55 119.15 1xoa h SER 11 Ca 0.13 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.57 1xoa h SER 11 Cb -0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1xoa h SER 11 CO -0.02 0.59 -0.31 0.33 -0.87 0.00 0.00 176.83 176.54 1xoa n PHE 12 N -3.33 0.02 0.24 4.77 -0.00 0.29 -0.67 117.46 118.79 1xoa n PHE 12 Ca 0.01 0.98 -0.14 0.00 -0.00 0.00 0.00 57.45 58.30 1xoa n PHE 12 Cb 0.73 -0.80 -0.08 0.00 -0.00 0.00 0.00 39.48 39.34 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 -1.07 -0.98 -2.13 3.58 -1.74 0.37 116.42 114.45 1xoa h ASP 13 Ca 0.28 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.84 1xoa h ASP 13 Cb 0.48 0.35 -0.05 0.00 1.72 0.00 0.00 39.33 41.82 1xoa h ASP 13 CO -0.79 -0.53 0.64 0.74 -2.88 0.00 0.00 179.24 176.42 1xoa h THR 14 N -0.81 1.19 0.00 2.25 2.02 -1.55 -1.21 112.91 114.80 1xoa h THR 14 Ca -0.05 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1xoa h THR 14 Cb 0.69 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1xoa h THR 14 CO -0.03 0.23 -0.07 0.44 0.37 0.00 0.00 175.52 176.45 1xoa h ASP 15 N 1.26 0.00 0.00 4.18 5.19 -0.81 -3.33 116.42 122.91 1xoa h ASP 15 Ca 0.38 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1xoa h ASP 15 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1xoa h ASP 15 CO -0.11 0.62 -0.08 0.58 -3.12 0.00 0.00 179.24 177.12 1xoa h VAL 16 N -1.00 1.33 0.00 -1.35 2.07 -0.34 -3.06 116.25 113.90 1xoa h VAL 16 Ca -0.01 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1xoa h VAL 16 Cb 0.22 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1xoa h VAL 16 CO -0.00 0.45 -0.10 -0.07 0.02 0.00 0.00 177.57 177.86 1xoa h LEU 17 N -1.00 0.00 -3.92 2.57 3.38 -0.93 0.39 115.31 115.81 1xoa h LEU 17 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1xoa h LEU 17 Cb 0.79 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.25 1xoa h LEU 17 CO -0.01 0.10 0.56 0.29 0.09 0.00 0.00 178.44 179.47 1xoa n LYS 18 N -3.85 2.57 -1.51 1.13 4.76 -1.10 -3.81 118.16 116.35 1xoa n LYS 18 Ca -0.02 -3.28 -0.50 0.00 -2.87 0.00 0.00 58.31 51.64 1xoa n LYS 18 Cb 0.20 -2.21 -0.04 0.00 -1.84 0.00 0.00 35.03 31.14 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xoa n ALA 19 N -0.99 -1.89 -1.81 7.82 0.00 0.13 -4.82 120.51 118.94 1xoa n ALA 19 Ca 0.58 0.47 -0.37 0.00 0.00 0.00 0.00 53.44 54.11 1xoa n ALA 19 Cb 1.03 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1xoa n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xoa n ASP 20 N 1.80 3.28 0.00 0.00 2.03 -1.26 -4.44 116.55 117.95 1xoa n ASP 20 Ca 0.16 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1xoa n ASP 20 Cb 0.23 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xoa n GLY 21 N 5.12 1.82 2.77 0.27 0.00 -1.26 -4.65 105.19 109.27 1xoa n GLY 21 Ca 0.48 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.46 0.62 -0.09 4.61 0.00 -1.26 -0.42 121.76 124.75 1xoa s ALA 22 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1xoa s ALA 22 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1xoa s ALA 22 CO 0.00 -0.40 -0.22 0.42 0.00 0.00 0.00 175.76 175.56 1xoa s ILE 23 N 1.84 2.28 -0.41 0.00 1.01 0.09 -0.59 121.20 125.42 1xoa s ILE 23 Ca 0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1xoa s ILE 23 Cb -0.12 -1.88 0.11 0.00 0.01 0.00 0.00 42.46 40.58 1xoa s ILE 23 CO -0.04 0.56 0.22 -0.22 0.00 0.00 0.00 174.94 175.45 1xoa s LEU 24 N 0.14 5.24 -0.30 2.97 1.98 -0.08 0.02 118.68 128.65 1xoa s LEU 24 Ca -0.12 -1.93 -0.20 0.00 -2.89 0.00 0.00 54.13 48.99 1xoa s LEU 24 Cb -0.16 -1.86 -0.01 0.00 0.66 0.00 0.00 46.19 44.82 1xoa s LEU 24 CO 0.06 -0.55 0.63 -0.69 -1.89 0.00 0.00 176.35 173.92 1xoa s VAL 25 N 1.20 4.94 -0.43 1.68 1.01 0.29 -0.24 120.40 128.84 1xoa s VAL 25 Ca 0.07 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 1xoa s VAL 25 Cb -0.23 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1xoa s VAL 25 CO -0.03 -0.13 0.42 -0.62 0.00 0.00 0.00 175.10 174.74 1xoa s ASP 26 N 1.62 6.18 -0.15 3.32 3.68 0.49 -0.76 116.67 131.05 1xoa s ASP 26 Ca 0.25 -0.78 -0.27 0.00 2.13 0.00 0.00 52.55 53.88 1xoa s ASP 26 Cb -0.15 -2.21 -0.01 0.00 -1.45 0.00 0.00 42.92 39.10 1xoa s ASP 26 CO 0.11 -0.58 0.91 -0.36 0.13 0.00 0.00 175.17 175.39 1xoa s PHE 27 N 2.04 3.45 0.25 -5.34 0.40 -0.01 -1.18 117.98 117.59 1xoa s PHE 27 Ca 0.10 1.40 -0.01 0.00 -0.60 0.00 0.00 56.93 57.83 1xoa s PHE 27 Cb -0.18 -3.10 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 1xoa s PHE 27 CO 0.12 -0.25 0.24 1.67 0.70 0.00 0.00 175.22 177.71 1xoa s TRP 28 N 2.15 1.17 0.01 0.36 1.48 -0.08 -3.08 118.94 120.95 1xoa s TRP 28 Ca 0.43 -1.35 -0.01 0.00 -1.06 0.00 0.00 56.10 54.11 1xoa s TRP 28 Cb -0.17 -0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 31.68 1xoa s TRP 28 CO 0.14 -0.79 -0.00 0.00 -4.06 0.00 0.00 176.95 172.24 1xoa s ALA 29 N -3.88 0.04 0.38 2.67 0.00 -1.26 -0.75 121.76 118.96 1xoa s ALA 29 Ca 0.36 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.02 1xoa s ALA 29 Cb 0.04 0.11 0.89 0.00 0.00 0.00 0.00 23.12 24.16 1xoa s ALA 29 CO 0.16 -0.13 1.91 0.93 0.00 0.00 0.00 175.76 178.62 1xoa h GLU 30 N 4.91 0.58 -0.00 0.00 3.07 -1.99 0.52 114.58 121.67 1xoa h GLU 30 Ca -0.30 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1xoa h GLU 30 Cb 1.21 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1xoa h GLU 30 CO 0.43 0.39 -0.14 -2.67 -1.40 0.00 0.00 179.01 175.62 1xoa n TRP 31 N -4.51 0.00 -2.57 4.33 4.27 -1.26 -4.68 117.44 113.02 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 0.44 -0.22 -0.01 0.00 -1.36 0.00 0.00 31.31 30.17 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 12.69 -0.51 0.71 0.00 0.00 -1.84 0.12 103.07 114.25 1xoa h GLY 33 Ca 0.40 0.66 0.14 0.00 0.00 0.00 0.00 47.33 48.53 1xoa h GLY 33 CO 1.45 -0.09 0.50 -2.55 0.00 0.00 0.00 176.54 175.85 1xoa h PRO 34 N -0.09 0.42 -0.03 4.80 0.11 -1.94 0.18 132.00 135.45 1xoa h PRO 34 Ca 0.21 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xoa h PRO 34 Cb 0.52 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1xoa h PRO 34 CO -0.86 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 177.21 1xoa h LYS 36 N -0.23 1.26 -0.29 0.00 1.57 -0.29 0.11 116.57 118.70 1xoa h LYS 36 Ca 0.01 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1xoa h LYS 36 Cb 0.30 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1xoa h LYS 36 CO 0.00 0.83 0.14 1.98 -0.57 0.00 0.00 179.45 181.83 1xoa h MET 37 N 1.30 0.28 0.00 3.15 4.05 -0.37 -2.70 114.93 120.65 1xoa h MET 37 Ca 0.39 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.71 1xoa h MET 37 Cb -0.04 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1xoa h MET 37 CO -0.11 0.19 -0.40 -0.84 0.23 0.00 0.00 176.91 175.98 1xoa h ILE 38 N 0.29 0.79 -0.85 1.77 3.07 -0.52 -3.38 117.51 118.68 1xoa h ILE 38 Ca 0.12 -1.76 0.09 0.00 1.55 0.00 0.00 64.86 64.87 1xoa h ILE 38 Cb 0.05 2.13 -0.11 0.00 -0.27 0.00 0.00 36.82 38.61 1xoa h ILE 38 CO -0.09 0.39 -0.44 0.00 -1.05 0.00 0.00 178.15 176.96 1xoa n ALA 39 N -2.24 -0.39 -0.35 0.16 0.00 0.34 0.08 120.51 118.11 1xoa n ALA 39 Ca 0.01 0.76 0.04 0.00 0.00 0.00 0.00 53.44 54.25 1xoa n ALA 39 Cb 0.60 -0.21 0.19 0.00 0.00 0.00 0.00 19.45 20.03 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 1.00 -0.05 0.00 0.13 -1.74 0.94 132.00 132.28 1xoa h PRO 40 Ca 0.19 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1xoa h PRO 40 Cb 0.40 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xoa h PRO 40 CO -0.81 0.66 -0.01 0.82 -0.23 0.00 0.00 178.00 178.43 1xoa h ILE 41 N 1.04 0.95 -0.81 -3.56 2.04 -0.58 0.64 117.51 117.22 1xoa h ILE 41 Ca 0.44 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.38 1xoa h ILE 41 Cb 0.30 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 1xoa h ILE 41 CO -0.21 0.00 0.47 -0.07 0.00 0.00 0.00 178.15 178.34 1xoa h LEU 42 N 0.00 0.68 0.37 1.44 3.38 0.30 0.13 115.31 121.62 1xoa h LEU 42 Ca 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xoa h LEU 42 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xoa h LEU 42 CO -0.05 0.41 -0.18 0.44 0.09 0.00 0.00 178.44 179.14 1xoa h ASP 43 N 0.81 -0.43 -0.56 -0.43 3.32 -0.10 0.15 116.42 119.18 1xoa h ASP 43 Ca 0.38 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.52 1xoa h ASP 43 Cb 0.30 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1xoa h ASP 43 CO -0.22 -0.30 0.23 -0.33 -1.72 0.00 0.00 179.24 176.89 1xoa h GLU 44 N -0.50 0.41 -0.27 3.56 3.07 -0.31 0.69 114.58 121.24 1xoa h GLU 44 Ca -0.05 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1xoa h GLU 44 Cb 0.39 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1xoa h GLU 44 CO 0.08 0.27 0.06 0.82 -1.40 0.00 0.00 179.01 178.84 1xoa h ILE 45 N 0.42 0.88 -0.80 3.13 1.08 -0.50 0.12 117.51 121.85 1xoa h ILE 45 Ca 0.27 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.77 1xoa h ILE 45 Cb 0.28 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.67 1xoa h ILE 45 CO -0.25 0.03 0.46 0.00 -0.69 0.00 0.00 178.15 177.70 1xoa h ALA 46 N 1.19 1.12 0.57 1.87 0.00 0.44 0.86 119.26 125.30 1xoa h ALA 46 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xoa h ALA 46 Cb 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xoa h ALA 46 CO -0.15 0.12 -0.27 0.22 0.00 0.00 0.00 179.25 179.16 1xoa h ASP 47 N 0.80 -0.64 -0.47 0.00 1.82 -0.24 -0.65 116.42 117.04 1xoa h ASP 47 Ca 0.37 -0.04 0.10 0.00 -0.39 0.00 0.00 57.03 57.07 1xoa h ASP 47 Cb 0.29 0.17 -0.09 0.00 0.68 0.00 0.00 39.33 40.37 1xoa h ASP 47 CO -0.22 -0.34 -0.17 -0.33 -1.61 0.00 0.00 179.24 176.56 1xoa h GLU 48 N -0.94 -0.06 -0.78 0.28 5.08 -0.34 -1.87 114.58 115.96 1xoa h GLU 48 Ca -0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1xoa h GLU 48 Cb 0.64 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 1xoa h GLU 48 CO 0.13 -0.04 0.21 0.66 -1.00 0.00 0.00 179.01 178.96 1xoa n TYR 49 N -5.38 2.10 -1.67 4.33 4.01 0.26 -4.99 117.16 115.81 1xoa n TYR 49 Ca 0.04 -1.00 -0.47 0.00 -0.16 0.00 0.00 57.90 56.31 1xoa n TYR 49 Cb 0.29 -0.60 -0.04 0.00 -0.31 0.00 0.00 39.34 38.67 1xoa n TYR 49 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xoa n GLN 50 N 0.00 2.09 0.00 -0.72 10.64 -0.25 -0.47 117.38 128.67 1xoa n GLN 50 Ca 0.34 0.76 0.00 0.00 -1.83 0.00 0.00 57.00 56.26 1xoa n GLN 50 Cb 1.23 -2.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 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 3.47 2.93 0.13 2.61 0.00 -1.26 -4.74 105.19 108.33 1xoa n GLY 51 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 0.64 -3.80 1.61 5.02 0.38 -4.92 118.16 115.09 1xoa n LYS 52 Ca 0.00 0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 56.24 1xoa n LYS 52 Cb 0.00 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.31 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 -6.81 0.77 -0.62 -0.35 2.96 0.18 -4.48 118.68 110.32 1xoa s LEU 53 Ca -0.36 -0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 53.13 1xoa s LEU 53 Cb 0.10 -0.54 0.05 0.00 0.50 0.00 0.00 46.19 46.30 1xoa s LEU 53 CO 0.58 -0.19 0.99 -0.89 -1.32 0.00 0.00 176.35 175.52 1xoa s THR 54 N 1.91 4.28 0.25 3.68 2.01 0.25 -4.52 115.64 123.49 1xoa s THR 54 Ca 0.05 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1xoa s THR 54 Cb -0.13 -4.64 -0.09 0.00 0.01 0.00 0.00 72.50 67.65 1xoa s THR 54 CO -0.06 -1.34 0.98 -0.69 -0.69 0.00 0.00 174.62 172.82 1xoa s VAL 55 N 4.21 3.93 0.05 3.82 1.01 -1.26 -0.90 120.40 131.26 1xoa s VAL 55 Ca 0.28 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.21 1xoa s VAL 55 Cb -0.14 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1xoa s VAL 55 CO 0.15 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.66 1xoa s ALA 56 N -1.17 0.58 0.04 5.51 0.00 0.66 -0.96 121.76 126.41 1xoa s ALA 56 Ca 0.42 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1xoa s ALA 56 Cb -0.27 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1xoa s ALA 56 CO 0.34 -0.17 -0.15 0.15 0.00 0.00 0.00 175.76 175.93 1xoa s LYS 57 N -2.61 1.02 -0.05 0.00 1.02 0.51 -0.38 119.74 119.25 1xoa s LYS 57 Ca -0.02 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1xoa s LYS 57 Cb -0.02 -1.04 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 1xoa s LYS 57 CO -0.03 0.26 0.01 -1.17 -0.92 0.00 0.00 175.35 173.50 1xoa s LEU 58 N -1.08 0.69 -0.48 3.17 0.20 -0.33 -0.73 118.68 120.12 1xoa s LEU 58 Ca 0.03 -0.03 -0.26 0.00 0.69 0.00 0.00 54.13 54.56 1xoa s LEU 58 Cb -0.08 -0.30 0.03 0.00 -0.43 0.00 0.00 46.19 45.41 1xoa s LEU 58 CO 0.01 -0.17 0.96 0.21 -0.29 0.00 0.00 176.35 177.07 1xoa s ASN 59 N 1.68 6.49 0.43 3.68 3.04 -1.26 -0.90 114.94 128.10 1xoa s ASN 59 Ca -0.00 0.10 0.11 0.00 0.04 0.00 0.00 52.86 53.11 1xoa s ASN 59 Cb -0.13 -2.46 0.93 0.00 -1.54 0.00 0.00 41.25 38.05 1xoa s ASN 59 CO -0.03 -1.11 1.99 0.16 -3.04 0.00 0.00 177.10 175.07 1xoa h ILE 60 N 6.10 1.13 0.27 -5.21 -0.00 -1.16 -0.40 117.51 118.23 1xoa h ILE 60 Ca -0.24 -0.53 -0.01 0.00 -0.00 0.00 0.00 64.86 64.08 1xoa h ILE 60 Cb 1.07 1.10 0.00 0.00 -0.00 0.00 0.00 36.82 39.00 1xoa h ILE 60 CO 1.05 0.17 -0.13 0.44 -0.00 0.00 0.00 178.15 179.68 1xoa h ASP 61 N 0.18 -0.31 0.52 2.16 5.19 -1.92 -1.69 116.42 120.56 1xoa h ASP 61 Ca 0.04 -0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1xoa h ASP 61 Cb 0.24 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1xoa h ASP 61 CO 0.01 -0.21 -0.59 1.56 -3.12 0.00 0.00 179.24 176.89 1xoa h GLN 62 N -0.39 0.07 -2.37 3.56 4.20 -1.92 -3.36 115.11 114.91 1xoa h GLN 62 Ca -0.04 -0.05 -0.63 0.00 0.06 0.00 0.00 58.65 58.00 1xoa h GLN 62 Cb 0.29 0.01 -0.40 0.00 0.30 0.00 0.00 27.48 27.68 1xoa h GLN 62 CO 0.06 0.64 -0.43 0.09 -0.67 0.00 0.00 178.83 178.52 1xoa n ASN 63 N -3.85 4.01 0.21 1.46 3.02 -0.17 -4.95 115.26 114.99 1xoa n ASN 63 Ca -0.02 -3.42 -0.15 0.00 -0.03 0.00 0.00 54.58 50.97 1xoa n ASN 63 Cb 0.60 -0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 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 4.45 -0.47 -0.94 3.52 0.13 -1.47 -3.26 132.00 133.97 1xoa h PRO 64 Ca 0.19 0.03 0.27 0.00 -0.87 0.00 0.00 66.00 65.63 1xoa h PRO 64 Cb 0.67 0.11 -0.17 0.00 0.13 0.00 0.00 31.00 31.73 1xoa h PRO 64 CO 0.88 -0.26 0.08 0.41 -0.23 0.00 0.00 178.00 178.88 1xoa n GLY 65 N -1.03 -1.21 0.36 1.56 0.00 -1.26 -0.33 105.19 103.28 1xoa n GLY 65 Ca -0.11 0.90 0.12 0.00 0.00 0.00 0.00 46.02 46.93 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 0.89 0.20 2.61 1.35 -1.94 -3.08 112.91 112.94 1xoa h THR 66 Ca 0.59 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 66.28 1xoa h THR 66 Cb 1.28 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1xoa h THR 66 CO -0.86 0.09 -0.19 0.00 -0.25 0.00 0.00 175.52 174.31 1xoa h ALA 67 N 1.66 -0.92 -0.73 6.62 0.00 -0.84 -0.98 119.26 124.06 1xoa h ALA 67 Ca 0.32 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1xoa h ALA 67 Cb 0.59 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1xoa h ALA 67 CO -0.10 -0.93 0.47 -1.00 0.00 0.00 0.00 179.25 177.69 1xoa h PRO 68 N -0.39 0.89 -0.69 0.00 0.13 -1.73 0.12 132.00 130.34 1xoa h PRO 68 Ca -0.03 -0.05 0.14 0.00 -0.87 0.00 0.00 66.00 65.19 1xoa h PRO 68 Cb 0.33 -0.20 -0.10 0.00 0.13 0.00 0.00 31.00 31.16 1xoa h PRO 68 CO -0.01 0.59 0.16 0.87 -0.23 0.00 0.00 178.00 179.38 1xoa h LYS 69 N 0.92 0.27 -0.76 0.86 1.57 -1.44 -0.21 116.57 117.78 1xoa h LYS 69 Ca 0.29 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.82 1xoa h LYS 69 Cb -0.01 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.10 1xoa h LYS 69 CO -0.10 0.18 0.30 0.66 -0.57 0.00 0.00 179.45 179.91 1xoa n TYR 70 N -5.14 2.52 -4.12 -1.35 4.01 -0.38 -4.95 117.16 107.75 1xoa n TYR 70 Ca 0.12 -1.25 -0.33 0.00 -0.16 0.00 0.00 57.90 56.28 1xoa n TYR 70 Cb 0.40 -0.71 -0.01 0.00 -0.31 0.00 0.00 39.34 38.71 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 -0.21 -0.42 3.32 2.72 0.00 -0.09 -4.84 105.19 105.67 1xoa n GLY 71 Ca 0.42 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.45 3.17 1.49 -0.61 2.08 0.32 -4.68 119.36 116.67 1xoa n ILE 72 Ca 0.00 -3.12 0.14 0.00 0.56 0.00 0.00 62.75 60.34 1xoa n ILE 72 Cb 0.53 -2.37 0.77 0.00 -0.75 0.00 0.00 39.64 37.82 1xoa n ILE 72 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1xoa n ARG 73 N 7.65 0.53 -3.79 0.38 1.74 -1.26 -4.79 116.66 117.11 1xoa n ARG 73 Ca 0.49 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.54 1xoa n ARG 73 Cb 0.44 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1xoa n ARG 73 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xoa s GLY 74 N -2.45 -0.14 0.01 -0.13 0.00 -1.26 -5.19 107.32 98.16 1xoa s GLY 74 Ca 0.31 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 1xoa s GLY 74 CO 0.42 0.23 0.25 -0.26 0.00 0.00 0.00 173.10 173.74 1xoa s ILE 75 N -3.20 0.08 0.46 0.90 -4.36 -1.26 -4.43 121.20 109.39 1xoa s ILE 75 Ca 0.13 -0.66 -0.23 0.00 -0.26 0.00 0.00 60.65 59.63 1xoa s ILE 75 Cb -0.02 -0.72 -0.07 0.00 1.25 0.00 0.00 42.46 42.89 1xoa s ILE 75 CO 0.04 -0.36 1.18 -2.16 0.24 0.00 0.00 174.94 173.87 1xoa s PRO 76 N -1.89 3.73 -0.05 0.37 0.04 -1.26 -4.81 135.00 131.13 1xoa s PRO 76 Ca -0.10 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 1xoa s PRO 76 Cb -0.04 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1xoa s PRO 76 CO 0.00 -0.58 0.02 0.99 0.04 0.00 0.00 177.00 177.47 1xoa s THR 77 N -1.52 0.14 -0.32 1.26 2.01 -1.18 -0.19 115.64 115.84 1xoa s THR 77 Ca 0.64 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 1xoa s THR 77 Cb -0.29 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1xoa s THR 77 CO 0.36 0.19 0.10 -0.76 -0.69 0.00 0.00 174.62 173.82 1xoa s LEU 78 N 1.69 4.08 -0.24 4.42 1.43 0.36 -0.83 118.68 129.60 1xoa s LEU 78 Ca -0.00 -0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 1xoa s LEU 78 Cb -0.13 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1xoa s LEU 78 CO -0.03 -0.26 0.08 -0.76 0.23 0.00 0.00 176.35 175.61 1xoa s LEU 79 N 1.46 3.59 -0.58 1.79 1.02 0.06 -0.62 118.68 125.40 1xoa s LEU 79 Ca 0.01 -0.12 -0.18 0.00 0.02 0.00 0.00 54.13 53.86 1xoa s LEU 79 Cb -0.18 -1.96 0.11 0.00 0.02 0.00 0.00 46.19 44.19 1xoa s LEU 79 CO 0.03 0.01 0.64 -0.22 0.02 0.00 0.00 176.35 176.83 1xoa s LEU 80 N 1.35 5.68 -0.50 1.79 2.96 0.10 -0.55 118.68 129.51 1xoa s LEU 80 Ca 0.05 -1.58 -0.22 0.00 -0.22 0.00 0.00 54.13 52.16 1xoa s LEU 80 Cb -0.15 -2.27 0.04 0.00 0.50 0.00 0.00 46.19 44.31 1xoa s LEU 80 CO 0.04 -1.02 0.78 -0.36 -1.32 0.00 0.00 176.35 174.47 1xoa s PHE 81 N 2.28 2.94 -0.40 5.38 0.40 0.10 -0.19 117.98 128.50 1xoa s PHE 81 Ca 0.09 -0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.12 1xoa s PHE 81 Cb -0.26 -3.74 0.01 0.00 0.51 0.00 0.00 43.02 39.55 1xoa s PHE 81 CO 0.05 -1.12 0.59 0.15 0.70 0.00 0.00 175.22 175.59 1xoa s LYS 82 N 3.30 3.43 -1.58 0.44 -0.14 0.60 -0.73 119.74 125.06 1xoa s LYS 82 Ca 0.25 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.51 1xoa s LYS 82 Cb -0.14 -3.89 0.08 0.00 -1.68 0.00 0.00 37.83 32.20 1xoa s LYS 82 CO 0.18 -0.85 0.47 -1.71 -0.76 0.00 0.00 175.35 172.69 1xoa n ASN 83 N 6.03 -1.20 0.00 2.83 5.15 0.44 -0.46 115.26 128.05 1xoa n ASN 83 Ca -0.03 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1xoa n ASN 83 Cb 0.48 -2.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.22 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 -1.82 2.46 3.62 8.20 0.00 -1.25 -4.72 105.19 111.68 1xoa n GLY 84 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.31 4.06 -0.46 1.61 2.02 0.39 -4.80 118.70 121.21 1xoa s GLU 85 Ca 0.00 0.08 -0.27 0.00 0.02 0.00 0.00 54.97 54.80 1xoa s GLU 85 Cb 0.00 -3.62 -0.05 0.00 0.10 0.00 0.00 34.13 30.55 1xoa s GLU 85 CO 0.00 -0.21 2.21 0.08 0.02 0.00 0.00 175.26 177.36 1xoa s VAL 86 N 1.87 3.12 0.00 2.63 1.01 -1.26 -0.29 120.40 127.48 1xoa s VAL 86 Ca 0.16 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 1xoa s VAL 86 Cb -0.15 -3.27 -0.34 0.00 0.00 0.00 0.00 36.38 32.62 1xoa s VAL 86 CO 0.09 -0.24 0.96 0.00 0.00 0.00 0.00 175.10 175.91 1xoa h ALA 87 N 17.32 -0.14 -2.70 5.51 0.00 -0.91 -3.48 119.26 134.86 1xoa h ALA 87 Ca -0.28 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 53.78 1xoa h ALA 87 Cb 1.23 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 1xoa h ALA 87 CO 1.13 0.57 -0.10 0.00 0.00 0.00 0.00 179.25 180.85 1xoa s ALA 88 N -2.53 -0.89 -0.02 0.00 0.00 -1.21 -5.03 121.76 112.07 1xoa s ALA 88 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1xoa s ALA 88 Cb 0.03 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1xoa s ALA 88 CO 0.90 -0.60 0.01 0.95 0.00 0.00 0.00 175.76 177.02 1xoa s THR 89 N -3.60 0.10 -0.20 0.00 -4.23 -1.26 -0.72 115.64 105.74 1xoa s THR 89 Ca 0.02 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 1xoa s THR 89 Cb 0.02 -0.20 0.03 0.00 1.34 0.00 0.00 72.50 73.69 1xoa s THR 89 CO -0.10 0.12 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.16 1xoa s LYS 90 N 0.91 2.78 -0.13 3.99 2.36 0.20 -4.99 119.74 124.86 1xoa s LYS 90 Ca -0.09 -0.93 -0.12 0.00 -2.55 0.00 0.00 55.97 52.28 1xoa s LYS 90 Cb -0.12 -2.62 -0.05 0.00 -1.05 0.00 0.00 37.83 33.99 1xoa s LYS 90 CO -0.02 -0.29 0.24 0.08 1.55 0.00 0.00 175.35 176.91 1xoa s VAL 91 N 1.26 5.33 0.00 4.02 1.01 -1.26 -0.49 120.40 130.27 1xoa s VAL 91 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1xoa s VAL 91 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1xoa s VAL 91 CO -0.11 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1xoa n GLY 92 N 2.82 -0.60 3.69 4.51 0.00 0.73 -5.00 105.19 111.34 1xoa n GLY 92 Ca -0.15 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.63 1.08 0.21 4.61 0.00 -1.26 -4.82 121.76 118.95 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 0.04 0.00 0.00 0.00 0.00 23.12 20.05 1xoa s ALA 93 CO 0.00 -2.75 0.80 -0.48 0.00 0.00 0.00 175.76 173.34 1xoa s LEU 94 N -6.40 -0.26 0.44 0.00 2.34 -1.26 -5.13 118.68 108.41 1xoa s LEU 94 Ca 0.65 -0.46 -0.21 0.00 0.06 0.00 0.00 54.13 54.17 1xoa s LEU 94 Cb -0.18 2.49 -0.10 0.00 -0.56 0.00 0.00 46.19 47.84 1xoa s LEU 94 CO 0.57 -1.13 0.98 -0.94 -1.06 0.00 0.00 176.35 174.78 1xoa s SER 95 N -2.89 6.76 0.17 1.48 1.04 -1.26 -4.89 113.70 114.11 1xoa s SER 95 Ca 0.10 1.80 -0.16 0.00 0.48 0.00 0.00 55.95 58.17 1xoa s SER 95 Cb -0.04 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.66 1xoa s SER 95 CO 0.03 -0.49 1.68 0.50 0.98 0.00 0.00 173.24 175.94 1xoa h LYS 96 N 1.90 0.07 -0.08 4.02 3.64 -1.99 0.64 116.57 124.76 1xoa h LYS 96 Ca -0.49 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1xoa h LYS 96 Cb 1.20 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1xoa h LYS 96 CO 0.61 0.04 -0.19 0.78 -2.27 0.00 0.00 179.45 178.42 1xoa h GLY 97 N 0.07 -0.20 0.87 5.01 0.00 -1.99 0.14 103.07 106.97 1xoa h GLY 97 Ca 0.21 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1xoa h GLY 97 CO -0.38 -0.18 0.45 1.46 0.00 0.00 0.00 176.54 177.89 1xoa h GLN 98 N -0.27 0.85 0.06 4.80 7.50 -1.81 0.53 115.11 126.77 1xoa h GLN 98 Ca 0.08 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.18 1xoa h GLN 98 Cb 0.39 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.73 1xoa h GLN 98 CO -0.24 0.56 -0.03 1.25 -1.50 0.00 0.00 178.83 178.87 1xoa h LEU 99 N 0.87 -0.06 -0.27 1.46 5.85 -0.27 0.82 115.31 123.71 1xoa h LEU 99 Ca 0.28 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1xoa h LEU 99 Cb 0.02 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1xoa h LEU 99 CO -0.11 -0.03 -0.06 0.11 -0.34 0.00 0.00 178.44 178.01 1xoa h LYS 100 N -0.09 0.01 0.06 1.25 1.57 -0.25 0.33 116.57 119.44 1xoa h LYS 100 Ca -0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1xoa h LYS 100 Cb 0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1xoa h LYS 100 CO 0.01 0.00 -0.17 0.93 -0.57 0.00 0.00 179.45 179.65 1xoa h GLU 101 N 0.01 -0.30 -0.01 3.15 5.08 -0.68 0.79 114.58 122.61 1xoa h GLU 101 Ca 0.13 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1xoa h GLU 101 Cb 0.20 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1xoa h GLU 101 CO -0.28 -0.20 -0.24 0.35 -1.00 0.00 0.00 179.01 177.64 1xoa h PHE 102 N -0.31 -0.64 -0.10 4.33 3.57 -0.48 0.84 116.94 124.15 1xoa h PHE 102 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1xoa h PHE 102 Cb 0.35 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1xoa h PHE 102 CO -0.20 -0.33 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.46 1xoa h LEU 103 N -0.37 -0.08 -0.20 0.59 3.38 -0.72 0.08 115.31 117.99 1xoa h LEU 103 Ca 0.07 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xoa h LEU 103 Cb 0.46 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1xoa h LEU 103 CO -0.22 -0.03 -0.14 -0.78 0.09 0.00 0.00 178.44 177.36 1xoa h ASP 104 N 0.01 -0.44 -0.74 -0.43 3.58 -0.56 0.16 116.42 117.99 1xoa h ASP 104 Ca 0.05 0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1xoa h ASP 104 Cb 0.07 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 1xoa h ASP 104 CO -0.10 -0.17 0.49 0.00 -2.88 0.00 0.00 179.24 176.58 1xoa h ALA 105 N 1.01 1.71 0.05 -0.78 0.00 -0.41 0.11 119.26 120.94 1xoa h ALA 105 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xoa h ALA 105 Cb 0.31 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xoa h ALA 105 CO -0.29 0.17 -0.50 -0.91 0.00 0.00 0.00 179.25 177.73 1xoa h ASN 106 N 0.76 0.36 -0.38 0.00 2.35 -0.08 -3.29 115.58 115.29 1xoa h ASN 106 Ca 0.32 -0.86 0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1xoa h ASN 106 Cb 0.29 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1xoa h ASN 106 CO -0.11 1.18 0.23 -0.07 -1.65 0.00 0.00 177.43 177.01 1xoa h LEU 107 N -0.42 0.38 0.00 1.61 3.38 -0.46 -3.51 115.31 116.29 1xoa h LEU 107 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xoa h LEU 107 Cb 1.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xoa h LEU 107 CO 0.10 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.90