#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 0.00 -1.94 6.43 9.92 -1.26 -0.81 116.55 128.89 1xoa n ASP 2 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1xoa n ASP 2 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1xoa n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xoa n LYS 3 N 0.00 0.61 -2.91 -1.24 5.02 -1.26 -5.01 118.16 113.36 1xoa n LYS 3 Ca 0.00 -2.52 -0.40 0.00 -2.02 0.00 0.00 58.31 53.36 1xoa n LYS 3 Cb 0.00 -0.56 -0.05 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.32 4.55 -0.25 -0.18 1.01 0.01 -4.53 121.20 120.50 1xoa s ILE 4 Ca 0.32 1.77 -0.20 0.00 0.00 0.00 0.00 60.65 62.54 1xoa s ILE 4 Cb 0.37 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1xoa s ILE 4 CO -0.12 0.40 0.60 -0.63 0.00 0.00 0.00 174.94 175.19 1xoa s ILE 5 N -0.38 5.01 -1.16 2.92 -1.09 -0.05 -4.90 121.20 121.57 1xoa s ILE 5 Ca 0.40 1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 59.77 1xoa s ILE 5 Cb -0.22 -3.91 0.20 0.00 -1.58 0.00 0.00 42.46 36.95 1xoa s ILE 5 CO 0.26 0.06 1.31 -1.00 -1.23 0.00 0.00 174.94 174.34 1xoa s HIS 6 N 2.34 3.71 0.95 3.97 3.76 -1.26 -0.56 115.29 128.20 1xoa s HIS 6 Ca 0.25 -2.26 -0.11 0.00 -0.15 0.00 0.00 55.06 52.79 1xoa s HIS 6 Cb -0.16 -4.17 0.16 0.00 1.11 0.00 0.00 32.58 29.53 1xoa s HIS 6 CO 0.09 -1.26 1.09 -0.51 -0.85 0.00 0.00 174.74 173.29 1xoa s LEU 7 N 0.79 2.09 0.17 0.89 1.43 -1.25 -5.01 118.68 117.79 1xoa s LEU 7 Ca 0.38 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 1xoa s LEU 7 Cb -0.05 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 1xoa s LEU 7 CO -0.03 -3.01 -0.04 0.42 0.23 0.00 0.00 176.35 173.92 1xoa s THR 8 N -2.80 0.93 0.23 5.49 -4.23 -1.26 -4.45 115.64 109.55 1xoa s THR 8 Ca 0.65 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1xoa s THR 8 Cb -0.20 -2.06 0.18 0.00 1.34 0.00 0.00 72.50 71.76 1xoa s THR 8 CO 0.59 -0.55 1.76 -0.78 -0.54 0.00 0.00 174.62 175.10 1xoa h ASP 9 N 2.68 0.39 -0.40 3.99 3.58 -1.94 0.10 116.42 124.83 1xoa h ASP 9 Ca -0.37 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.15 1xoa h ASP 9 Cb 1.20 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 1xoa h ASP 9 CO 0.64 0.21 0.24 0.44 -2.88 0.00 0.00 179.24 177.88 1xoa h ASP 10 N 0.54 0.48 1.21 2.28 5.19 -2.02 -3.02 116.42 121.08 1xoa h ASP 10 Ca 0.36 -0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.59 1xoa h ASP 10 Cb 0.44 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1xoa h ASP 10 CO -0.31 0.39 -0.62 0.77 -3.12 0.00 0.00 179.24 176.35 1xoa h SER 11 N 0.52 0.00 -0.85 6.45 4.64 -1.79 -3.36 113.55 119.16 1xoa h SER 11 Ca 0.14 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 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 -0.03 0.62 -0.35 0.33 -0.87 0.00 0.00 176.83 176.53 1xoa n PHE 12 N -3.33 -0.02 0.20 4.77 -0.00 0.29 -0.62 117.46 118.75 1xoa n PHE 12 Ca 0.01 1.04 -0.13 0.00 -0.00 0.00 0.00 57.45 58.37 1xoa n PHE 12 Cb 0.75 -0.79 -0.07 0.00 -0.00 0.00 0.00 39.48 39.37 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 -1.02 -0.93 -2.13 3.58 -1.73 0.38 116.42 114.56 1xoa h ASP 13 Ca 0.28 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.89 1xoa h ASP 13 Cb 0.49 0.34 -0.06 0.00 1.72 0.00 0.00 39.33 41.81 1xoa h ASP 13 CO -0.84 -0.48 0.60 0.71 -2.88 0.00 0.00 179.24 176.36 1xoa h THR 14 N -0.72 1.03 0.00 2.25 1.35 -1.59 -1.33 112.91 113.89 1xoa h THR 14 Ca -0.04 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1xoa h THR 14 Cb 0.63 -0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1xoa h THR 14 CO -0.06 0.18 -0.26 0.44 -0.25 0.00 0.00 175.52 175.58 1xoa h ASP 15 N 1.01 0.00 0.00 5.36 5.19 -0.71 -3.36 116.42 123.92 1xoa h ASP 15 Ca 0.41 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 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 -0.17 0.66 -0.00 0.58 -3.12 0.00 0.00 179.24 177.19 1xoa h VAL 16 N -1.00 1.27 0.00 -1.35 2.07 -0.33 -2.95 116.25 113.97 1xoa h VAL 16 Ca -0.01 -1.94 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 1xoa h VAL 16 Cb 0.30 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1xoa h VAL 16 CO -0.01 0.43 -0.19 -0.07 0.02 0.00 0.00 177.57 177.76 1xoa h LEU 17 N -0.99 0.00 -3.90 2.57 3.38 -0.99 -0.47 115.31 114.91 1xoa h LEU 17 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1xoa h LEU 17 Cb 0.71 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.17 1xoa h LEU 17 CO 0.00 0.19 0.54 0.29 0.09 0.00 0.00 178.44 179.55 1xoa n LYS 18 N -4.12 2.51 -1.58 1.13 5.02 -1.05 -3.81 118.16 116.26 1xoa n LYS 18 Ca -0.02 -3.25 -0.55 0.00 -2.02 0.00 0.00 58.31 52.47 1xoa n LYS 18 Cb 0.26 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.00 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 -1.01 0.37 -1.46 7.82 0.00 -0.18 -4.83 120.51 121.21 1xoa n ALA 19 Ca 0.57 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.79 1xoa n ALA 19 Cb 1.10 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 7.24 3.35 0.00 0.00 2.03 -1.26 -4.13 116.55 123.78 1xoa n ASP 20 Ca 0.34 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.89 1xoa n ASP 20 Cb 0.16 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 4.27 1.36 2.88 0.27 0.00 -1.26 -4.98 105.19 107.73 1xoa n GLY 21 Ca 0.51 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.97 0.84 -0.13 4.61 0.00 -1.26 -0.44 121.76 123.40 1xoa s ALA 22 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1xoa s ALA 22 Cb 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1xoa s ALA 22 CO 0.00 -0.17 -0.18 0.42 0.00 0.00 0.00 175.76 175.82 1xoa s ILE 23 N 1.27 2.47 -0.46 0.00 1.01 0.09 -0.62 121.20 124.96 1xoa s ILE 23 Ca -0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 1xoa s ILE 23 Cb -0.14 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.42 1xoa s ILE 23 CO -0.02 0.53 0.34 -0.22 0.00 0.00 0.00 174.94 175.57 1xoa s LEU 24 N 0.61 5.53 -0.38 2.97 2.96 -0.08 -0.19 118.68 130.09 1xoa s LEU 24 Ca -0.10 -1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 51.96 1xoa s LEU 24 Cb -0.16 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.49 1xoa s LEU 24 CO 0.03 -0.64 0.70 -0.69 -1.32 0.00 0.00 176.35 174.42 1xoa s VAL 25 N 1.46 4.80 -0.41 1.68 1.01 0.38 -0.28 120.40 129.05 1xoa s VAL 25 Ca 0.04 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1xoa s VAL 25 Cb -0.25 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1xoa s VAL 25 CO 0.02 -0.45 0.56 -0.62 0.00 0.00 0.00 175.10 174.61 1xoa s ASP 26 N 1.89 6.29 -0.12 3.32 3.68 0.44 -0.62 116.67 131.55 1xoa s ASP 26 Ca 0.27 -0.32 -0.29 0.00 2.13 0.00 0.00 52.55 54.34 1xoa s ASP 26 Cb -0.14 -2.28 -0.01 0.00 -1.45 0.00 0.00 42.92 39.04 1xoa s ASP 26 CO 0.17 -0.65 0.97 -0.36 0.13 0.00 0.00 175.17 175.44 1xoa s PHE 27 N 2.54 3.49 0.33 -5.34 0.40 0.17 -0.73 117.98 118.84 1xoa s PHE 27 Ca 0.19 1.52 0.08 0.00 -0.60 0.00 0.00 56.93 58.12 1xoa s PHE 27 Cb -0.15 -3.15 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 1xoa s PHE 27 CO 0.16 -0.24 0.27 -2.67 0.70 0.00 0.00 175.22 173.45 1xoa n TRP 28 N 5.10 -0.75 -3.72 0.36 4.27 -0.01 -2.78 117.44 119.89 1xoa n TRP 28 Ca 0.08 -2.75 -0.13 0.00 -3.89 0.00 0.00 57.50 50.81 1xoa n TRP 28 Cb 0.49 0.28 -0.08 0.00 -1.36 0.00 0.00 31.31 30.64 1xoa n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xoa s ALA 29 N -3.32 -0.88 0.63 -1.67 0.00 -1.26 -0.60 121.76 114.66 1xoa s ALA 29 Ca 0.39 0.31 0.36 0.00 0.00 0.00 0.00 51.96 53.01 1xoa s ALA 29 Cb 0.02 0.20 2.02 0.00 0.00 0.00 0.00 23.12 25.35 1xoa s ALA 29 CO 0.27 -0.35 2.23 0.93 0.00 0.00 0.00 175.76 178.84 1xoa h GLU 30 N 3.43 0.00 -0.02 0.00 5.08 -1.99 0.15 114.58 121.22 1xoa h GLU 30 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1xoa h GLU 30 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xoa h GLU 30 CO 0.42 0.00 -0.20 -2.67 -1.00 0.00 0.00 179.01 175.57 1xoa n TRP 31 N -3.41 0.00 -2.57 4.33 4.27 -1.26 -4.85 117.44 113.95 1xoa n TRP 31 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1xoa n TRP 31 Cb 0.17 -0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.10 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 12.68 -0.90 0.65 0.00 0.00 -1.89 0.30 103.07 113.91 1xoa h GLY 33 Ca 0.35 0.76 0.17 0.00 0.00 0.00 0.00 47.33 48.61 1xoa h GLY 33 CO 1.45 -0.03 0.50 -2.55 0.00 0.00 0.00 176.54 175.90 1xoa h PRO 34 N -0.19 0.26 -0.28 4.80 0.11 -1.94 0.07 132.00 134.82 1xoa h PRO 34 Ca 0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1xoa h PRO 34 Cb 0.50 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1xoa h PRO 34 CO -0.78 0.17 0.05 0.00 -0.21 0.00 0.00 178.00 177.23 1xoa h LYS 36 N 0.28 1.01 -0.59 0.00 1.57 -0.38 0.70 116.57 119.17 1xoa h LYS 36 Ca 0.09 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1xoa h LYS 36 Cb 0.33 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1xoa h LYS 36 CO 0.01 0.70 0.33 0.52 -0.57 0.00 0.00 179.45 180.43 1xoa h MET 37 N 1.03 0.61 0.00 3.15 2.86 -0.61 -2.19 114.93 119.78 1xoa h MET 37 Ca 0.27 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1xoa h MET 37 Cb -0.07 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1xoa h MET 37 CO -0.05 0.40 -0.10 -0.84 1.06 0.00 0.00 176.91 177.37 1xoa h ILE 38 N 0.62 0.19 -0.98 -1.22 3.07 -0.63 -3.38 117.51 115.19 1xoa h ILE 38 Ca 0.25 -1.13 0.12 0.00 1.55 0.00 0.00 64.86 65.65 1xoa h ILE 38 Cb 0.12 1.96 -0.14 0.00 -0.27 0.00 0.00 36.82 38.49 1xoa h ILE 38 CO -0.15 0.10 -0.49 0.00 -1.05 0.00 0.00 178.15 176.57 1xoa n ALA 39 N -2.13 -0.39 -0.37 0.16 0.00 0.19 -0.39 120.51 117.59 1xoa n ALA 39 Ca 0.03 0.90 0.05 0.00 0.00 0.00 0.00 53.44 54.41 1xoa n ALA 39 Cb 0.52 -0.27 0.20 0.00 0.00 0.00 0.00 19.45 19.89 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 1.06 0.05 0.00 0.13 -1.73 0.16 132.00 131.66 1xoa h PRO 40 Ca 0.24 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1xoa h PRO 40 Cb 0.48 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.37 1xoa h PRO 40 CO -0.94 0.70 -0.03 0.82 -0.23 0.00 0.00 178.00 178.32 1xoa h ILE 41 N 1.09 0.93 -0.65 -3.56 2.04 -0.95 0.60 117.51 117.01 1xoa h ILE 41 Ca 0.46 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.37 1xoa h ILE 41 Cb 0.31 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1xoa h ILE 41 CO -0.21 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.23 1xoa h LEU 42 N -0.08 0.56 0.18 1.44 3.38 -0.05 0.27 115.31 121.01 1xoa h LEU 42 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xoa h LEU 42 Cb 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xoa h LEU 42 CO 0.00 0.37 -0.09 0.44 0.09 0.00 0.00 178.44 179.25 1xoa h ASP 43 N 0.69 -0.22 -0.17 -0.43 3.32 -0.30 0.13 116.42 119.45 1xoa h ASP 43 Ca 0.28 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1xoa h ASP 43 Cb 0.15 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1xoa h ASP 43 CO -0.16 -0.15 -0.13 -0.33 -1.72 0.00 0.00 179.24 176.74 1xoa h GLU 44 N -0.25 -0.14 -0.45 3.56 5.08 -0.55 -0.34 114.58 121.50 1xoa h GLU 44 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1xoa h GLU 44 Cb 0.20 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1xoa h GLU 44 CO 0.04 -0.09 0.10 0.82 -1.00 0.00 0.00 179.01 178.87 1xoa h ILE 45 N -0.14 0.77 -0.52 3.13 1.08 -0.73 0.73 117.51 121.82 1xoa h ILE 45 Ca 0.10 -0.08 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 1xoa h ILE 45 Cb 0.30 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 1xoa h ILE 45 CO -0.25 0.04 0.19 0.00 -0.69 0.00 0.00 178.15 177.44 1xoa h ALA 46 N 1.34 0.65 -0.36 1.87 0.00 0.24 0.18 119.26 123.18 1xoa h ALA 46 Ca 0.22 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1xoa h ALA 46 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xoa h ALA 46 CO -0.28 -0.20 -0.10 0.22 0.00 0.00 0.00 179.25 178.89 1xoa h ASP 47 N 0.38 0.72 0.30 0.00 3.58 -0.40 -2.87 116.42 118.13 1xoa h ASP 47 Ca 0.25 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1xoa h ASP 47 Cb 0.27 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1xoa h ASP 47 CO -0.25 0.92 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.56 1xoa h GLU 48 N 0.50 -0.39 -0.96 0.28 5.08 -0.43 -3.17 114.58 115.49 1xoa h GLU 48 Ca 0.09 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xoa h GLU 48 Cb 0.62 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1xoa h GLU 48 CO 0.04 -0.06 0.03 0.66 -1.00 0.00 0.00 179.01 178.68 1xoa n TYR 49 N -5.11 0.31 -1.55 4.33 4.02 0.59 -4.88 117.16 114.87 1xoa n TYR 49 Ca -0.09 -0.29 -0.37 0.00 -0.01 0.00 0.00 57.90 57.13 1xoa n TYR 49 Cb 0.27 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 1xoa n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1xoa n GLN 50 N 0.15 1.15 0.00 -0.72 7.27 -1.08 -0.22 117.38 123.93 1xoa n GLN 50 Ca 0.05 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.20 1xoa n GLN 50 Cb 0.47 -3.35 0.00 0.00 2.41 0.00 0.00 30.24 29.77 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xoa n GLY 51 N 6.00 2.43 0.12 1.69 0.00 -1.26 -4.89 105.19 109.27 1xoa n GLY 51 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.55 0.67 -3.84 1.61 5.02 0.69 -4.99 118.16 116.77 1xoa n LYS 52 Ca 0.00 0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.35 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 -6.10 1.66 -0.39 -0.35 2.96 0.46 -4.41 118.68 112.51 1xoa s LEU 53 Ca -0.24 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.76 1xoa s LEU 53 Cb 0.08 0.25 0.07 0.00 0.50 0.00 0.00 46.19 47.10 1xoa s LEU 53 CO 0.70 -0.03 0.19 -0.89 -1.32 0.00 0.00 176.35 175.00 1xoa s THR 54 N 0.10 3.80 0.26 3.68 2.01 0.21 -4.41 115.64 121.29 1xoa s THR 54 Ca -0.01 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 1xoa s THR 54 Cb -0.01 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 1xoa s THR 54 CO -0.00 -0.44 0.94 -0.69 -0.69 0.00 0.00 174.62 173.74 1xoa s VAL 55 N 1.34 4.11 0.05 3.82 1.01 -1.26 -0.90 120.40 128.56 1xoa s VAL 55 Ca 0.02 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.05 1xoa s VAL 55 Cb -0.22 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1xoa s VAL 55 CO 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.44 1xoa s ALA 56 N -1.28 0.63 -0.28 5.51 0.00 0.61 -0.87 121.76 126.09 1xoa s ALA 56 Ca 0.43 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1xoa s ALA 56 Cb -0.24 0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.00 1xoa s ALA 56 CO 0.30 -0.01 0.07 0.15 0.00 0.00 0.00 175.76 176.26 1xoa s LYS 57 N -1.67 0.84 -0.28 0.00 1.02 0.27 -0.42 119.74 119.50 1xoa s LYS 57 Ca -0.09 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 54.80 1xoa s LYS 57 Cb -0.09 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1xoa s LYS 57 CO 0.00 -0.87 0.26 -1.17 -0.92 0.00 0.00 175.35 172.65 1xoa s LEU 58 N 1.61 4.05 -0.50 3.17 0.20 0.09 -3.87 118.68 123.42 1xoa s LEU 58 Ca 0.06 0.09 -0.27 0.00 0.69 0.00 0.00 54.13 54.69 1xoa s LEU 58 Cb -0.17 -2.24 0.03 0.00 -0.43 0.00 0.00 46.19 43.38 1xoa s LEU 58 CO -0.19 -0.11 1.08 0.21 -0.29 0.00 0.00 176.35 177.05 1xoa s ASN 59 N 1.71 6.53 0.50 3.68 2.47 -1.26 -0.83 114.94 127.74 1xoa s ASN 59 Ca 0.10 0.22 0.26 0.00 0.42 0.00 0.00 52.86 53.86 1xoa s ASN 59 Cb -0.16 -2.51 1.32 0.00 -1.45 0.00 0.00 41.25 38.44 1xoa s ASN 59 CO 0.11 -1.25 2.02 0.16 -3.72 0.00 0.00 177.10 174.41 1xoa h ILE 60 N 6.16 0.61 -0.19 -5.21 -0.00 -1.08 0.06 117.51 117.86 1xoa h ILE 60 Ca -0.24 -0.67 -0.01 0.00 -0.00 0.00 0.00 64.86 63.94 1xoa h ILE 60 Cb 1.06 1.43 -0.01 0.00 -0.00 0.00 0.00 36.82 39.31 1xoa h ILE 60 CO 1.11 0.15 0.08 0.44 -0.00 0.00 0.00 178.15 179.93 1xoa h ASP 61 N 0.00 0.26 0.36 2.16 3.32 -1.91 -0.89 116.42 119.72 1xoa h ASP 61 Ca -0.00 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 1xoa h ASP 61 Cb 0.42 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1xoa h ASP 61 CO 0.02 0.35 -0.61 1.56 -1.72 0.00 0.00 179.24 178.84 1xoa h GLN 62 N 0.15 0.24 -2.15 3.56 4.20 -1.87 -3.37 115.11 115.87 1xoa h GLN 62 Ca 0.06 -0.17 -0.59 0.00 0.06 0.00 0.00 58.65 58.02 1xoa h GLN 62 Cb 0.17 0.03 -0.41 0.00 0.30 0.00 0.00 27.48 27.56 1xoa h GLN 62 CO -0.01 0.77 -0.71 0.09 -0.67 0.00 0.00 178.83 178.31 1xoa n ASN 63 N -3.87 3.03 -0.07 1.46 3.02 -0.02 -4.96 115.26 113.85 1xoa n ASN 63 Ca -0.02 -3.30 -0.07 0.00 -0.03 0.00 0.00 54.58 51.16 1xoa n ASN 63 Cb 0.62 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1xoa n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xoa h PRO 64 N 4.08 -0.07 -0.98 3.52 0.11 -1.35 -2.98 132.00 134.33 1xoa h PRO 64 Ca 0.17 0.00 0.34 0.00 0.11 0.00 0.00 66.00 66.62 1xoa h PRO 64 Cb 0.70 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 31.66 1xoa h PRO 64 CO 0.76 -0.05 0.36 0.78 -0.21 0.00 0.00 178.00 179.64 1xoa h GLY 65 N -0.07 1.83 2.00 -0.55 0.00 -1.93 0.66 103.07 105.01 1xoa h GLY 65 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1xoa h GLY 65 CO -0.34 -0.62 -0.15 -0.84 0.00 0.00 0.00 176.54 174.60 1xoa h THR 66 N 0.08 0.47 0.76 4.70 2.02 -1.90 -3.29 112.91 115.75 1xoa h THR 66 Ca 0.72 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1xoa h THR 66 Cb 1.72 1.53 0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1xoa h THR 66 CO -0.77 0.14 -0.37 0.00 0.37 0.00 0.00 175.52 174.89 1xoa h ALA 67 N 1.85 -1.26 -0.78 6.16 0.00 -1.00 -2.84 119.26 121.40 1xoa h ALA 67 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xoa h ALA 67 Cb 0.52 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1xoa h ALA 67 CO 0.02 -1.18 0.51 -1.00 0.00 0.00 0.00 179.25 177.60 1xoa h PRO 68 N -1.04 1.00 -0.84 0.00 0.13 -1.73 0.77 132.00 130.30 1xoa h PRO 68 Ca -0.10 -0.06 0.21 0.00 -0.87 0.00 0.00 66.00 65.17 1xoa h PRO 68 Cb 0.79 -0.23 -0.13 0.00 0.13 0.00 0.00 31.00 31.56 1xoa h PRO 68 CO 0.17 0.66 0.23 0.87 -0.23 0.00 0.00 178.00 179.71 1xoa h LYS 69 N 1.03 0.25 -0.53 0.86 1.57 -1.62 0.04 116.57 118.17 1xoa h LYS 69 Ca 0.29 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 1xoa h LYS 69 Cb -0.09 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.07 1xoa h LYS 69 CO -0.07 0.16 0.14 0.66 -0.57 0.00 0.00 179.45 179.76 1xoa n TYR 70 N -5.18 1.74 -4.03 -1.35 4.01 -1.05 -4.97 117.16 106.33 1xoa n TYR 70 Ca 0.19 -1.26 -0.28 0.00 -0.16 0.00 0.00 57.90 56.38 1xoa n TYR 70 Cb 0.60 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.58 -0.29 3.33 2.72 0.00 -0.00 -4.84 105.19 105.53 1xoa n GLY 71 Ca 0.35 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.42 3.81 1.41 -0.61 2.08 0.19 -4.70 119.36 117.13 1xoa n ILE 72 Ca -0.20 -3.81 0.14 0.00 0.56 0.00 0.00 62.75 59.45 1xoa n ILE 72 Cb 0.63 -2.43 0.74 0.00 -0.75 0.00 0.00 39.64 37.84 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 7.66 0.45 -3.80 0.38 1.74 -1.26 -4.81 116.66 117.02 1xoa n ARG 73 Ca 0.50 0.01 -0.05 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 -2.53 -0.12 0.02 -0.13 0.00 -1.26 -5.19 107.32 98.10 1xoa s GLY 74 Ca 0.29 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 1xoa s GLY 74 CO 0.44 0.16 0.27 -0.26 0.00 0.00 0.00 173.10 173.71 1xoa s ILE 75 N -3.29 0.08 0.38 0.90 -4.36 -1.26 -4.42 121.20 109.23 1xoa s ILE 75 Ca 0.13 -0.64 -0.26 0.00 -0.26 0.00 0.00 60.65 59.61 1xoa s ILE 75 Cb -0.03 -0.78 -0.09 0.00 1.25 0.00 0.00 42.46 42.82 1xoa s ILE 75 CO 0.04 -0.35 1.23 -2.16 0.24 0.00 0.00 174.94 173.94 1xoa s PRO 76 N -2.01 4.11 -0.12 0.37 0.04 -1.26 -4.83 135.00 131.29 1xoa s PRO 76 Ca -0.09 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.93 1xoa s PRO 76 Cb -0.03 -2.80 0.04 0.00 0.04 0.00 0.00 34.50 31.75 1xoa s PRO 76 CO -0.00 -0.32 0.04 0.99 0.04 0.00 0.00 177.00 177.75 1xoa s THR 77 N -1.30 0.20 -0.18 1.26 2.01 -1.12 -0.30 115.64 116.22 1xoa s THR 77 Ca 0.55 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 1xoa s THR 77 Cb -0.35 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1xoa s THR 77 CO 0.45 -0.01 0.35 -0.76 -0.69 0.00 0.00 174.62 173.95 1xoa s LEU 78 N 2.03 4.20 -0.19 4.42 1.43 0.42 -0.65 118.68 130.33 1xoa s LEU 78 Ca 0.03 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1xoa s LEU 78 Cb -0.14 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.65 1xoa s LEU 78 CO -0.06 0.02 -0.19 -0.76 0.23 0.00 0.00 176.35 175.59 1xoa s LEU 79 N 0.86 2.28 -0.51 1.79 1.02 0.21 -0.43 118.68 123.91 1xoa s LEU 79 Ca 0.18 -0.72 -0.17 0.00 0.02 0.00 0.00 54.13 53.44 1xoa s LEU 79 Cb -0.14 -1.50 0.08 0.00 0.02 0.00 0.00 46.19 44.65 1xoa s LEU 79 CO 0.06 -0.02 0.53 -0.22 0.02 0.00 0.00 176.35 176.73 1xoa s LEU 80 N 1.28 5.41 -0.50 1.79 2.96 -0.04 -0.47 118.68 129.12 1xoa s LEU 80 Ca 0.04 -1.24 -0.20 0.00 -0.22 0.00 0.00 54.13 52.51 1xoa s LEU 80 Cb -0.14 -2.30 0.05 0.00 0.50 0.00 0.00 46.19 44.30 1xoa s LEU 80 CO -0.12 -0.82 0.64 -0.36 -1.32 0.00 0.00 176.35 174.37 1xoa s PHE 81 N 2.14 3.04 -0.36 5.38 0.40 0.73 -0.21 117.98 129.10 1xoa s PHE 81 Ca 0.09 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 55.82 1xoa s PHE 81 Cb -0.23 -3.52 -0.00 0.00 0.51 0.00 0.00 43.02 39.78 1xoa s PHE 81 CO 0.08 -1.02 0.54 0.15 0.70 0.00 0.00 175.22 175.67 1xoa s LYS 82 N 2.74 3.60 -1.50 0.44 1.02 0.55 -0.73 119.74 125.87 1xoa s LYS 82 Ca 0.17 -0.15 -0.05 0.00 0.02 0.00 0.00 55.97 55.96 1xoa s LYS 82 Cb -0.18 -3.82 0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1xoa s LYS 82 CO 0.14 -0.68 0.50 -1.71 -0.92 0.00 0.00 175.35 172.68 1xoa n ASN 83 N 5.81 -1.12 0.00 2.83 5.15 0.41 -0.60 115.26 127.74 1xoa n ASN 83 Ca -0.04 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1xoa n ASN 83 Cb 0.49 -2.89 0.00 0.00 -0.53 0.00 0.00 39.78 36.85 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 -1.87 2.88 3.64 8.20 0.00 -1.24 -4.77 105.19 112.03 1xoa n GLY 84 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.08 4.09 -0.36 1.61 0.41 0.23 -4.81 118.70 119.79 1xoa s GLU 85 Ca 0.00 0.13 -0.27 0.00 -0.41 0.00 0.00 54.97 54.41 1xoa s GLU 85 Cb 0.00 -3.60 -0.05 0.00 -1.78 0.00 0.00 34.13 28.71 1xoa s GLU 85 CO 0.00 -0.17 2.15 0.08 -0.49 0.00 0.00 175.26 176.83 1xoa s VAL 86 N 1.72 3.14 -0.02 2.63 1.01 -1.26 -0.33 120.40 127.30 1xoa s VAL 86 Ca 0.17 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1xoa s VAL 86 Cb -0.15 -3.24 -0.31 0.00 0.00 0.00 0.00 36.38 32.68 1xoa s VAL 86 CO 0.09 -0.19 0.95 0.00 0.00 0.00 0.00 175.10 175.96 1xoa h ALA 87 N 15.83 -0.08 -2.96 5.51 0.00 -0.93 -3.48 119.26 133.16 1xoa h ALA 87 Ca -0.33 -0.71 0.07 0.00 0.00 0.00 0.00 54.91 53.93 1xoa h ALA 87 Cb 1.22 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1xoa h ALA 87 CO 1.06 0.44 0.24 0.00 0.00 0.00 0.00 179.25 180.99 1xoa s ALA 88 N -2.60 -1.28 0.13 0.00 0.00 -1.23 -5.05 121.76 111.74 1xoa s ALA 88 Ca -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1xoa s ALA 88 Cb 0.02 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1xoa s ALA 88 CO 0.86 -1.02 0.05 0.95 0.00 0.00 0.00 175.76 176.60 1xoa s THR 89 N -3.87 0.17 -0.18 0.00 -4.23 -1.26 -0.86 115.64 105.41 1xoa s THR 89 Ca 0.10 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 1xoa s THR 89 Cb -0.05 -2.02 0.09 0.00 1.34 0.00 0.00 72.50 71.86 1xoa s THR 89 CO 0.05 -0.50 0.33 -0.75 -0.54 0.00 0.00 174.62 173.21 1xoa s LYS 90 N -4.03 0.25 -0.10 3.99 2.36 0.43 -4.99 119.74 117.64 1xoa s LYS 90 Ca 0.23 0.73 -0.14 0.00 -2.55 0.00 0.00 55.97 54.24 1xoa s LYS 90 Cb 0.07 -0.15 -0.05 0.00 -1.05 0.00 0.00 37.83 36.66 1xoa s LYS 90 CO 0.01 -0.39 0.35 0.08 1.55 0.00 0.00 175.35 176.95 1xoa s VAL 91 N 2.50 5.22 0.00 4.02 1.01 -1.26 -0.44 120.40 131.44 1xoa s VAL 91 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1xoa s VAL 91 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xoa s VAL 91 CO -0.12 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1xoa n GLY 92 N 2.80 -0.41 3.69 4.51 0.00 0.59 -5.00 105.19 111.36 1xoa n GLY 92 Ca -0.12 -1.68 -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 -2.61 1.18 0.21 4.61 0.00 -1.26 -4.82 121.76 119.07 1xoa s ALA 93 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.50 1xoa s ALA 93 Cb 0.00 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1xoa s ALA 93 CO 0.00 -2.65 0.77 -0.48 0.00 0.00 0.00 175.76 173.39 1xoa s LEU 94 N -6.37 -0.30 0.74 0.00 2.34 -1.26 -5.14 118.68 108.69 1xoa s LEU 94 Ca 0.65 -0.42 -0.12 0.00 0.06 0.00 0.00 54.13 54.30 1xoa s LEU 94 Cb -0.18 2.53 0.04 0.00 -0.56 0.00 0.00 46.19 48.01 1xoa s LEU 94 CO 0.57 -1.13 1.12 -0.94 -1.06 0.00 0.00 176.35 174.91 1xoa s SER 95 N -2.87 5.10 0.20 1.48 1.04 -1.26 -4.85 113.70 112.54 1xoa s SER 95 Ca 0.09 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 1xoa s SER 95 Cb -0.04 -1.77 0.20 0.00 0.10 0.00 0.00 66.02 64.52 1xoa s SER 95 CO 0.01 -1.55 1.78 0.50 0.98 0.00 0.00 173.24 174.96 1xoa h LYS 96 N -0.80 0.51 0.64 4.02 1.63 -1.98 0.73 116.57 121.32 1xoa h LYS 96 Ca -0.45 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1xoa h LYS 96 Cb 1.27 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1xoa h LYS 96 CO 0.64 0.34 -0.39 0.78 -3.45 0.00 0.00 179.45 177.37 1xoa h GLY 97 N 0.53 -1.05 0.78 5.01 0.00 -1.99 0.78 103.07 107.13 1xoa h GLY 97 Ca 0.27 0.43 0.05 0.00 0.00 0.00 0.00 47.33 48.08 1xoa h GLY 97 CO -0.20 -0.37 0.59 1.46 0.00 0.00 0.00 176.54 178.02 1xoa h GLN 98 N -0.97 1.06 0.08 4.80 7.50 -1.88 0.31 115.11 126.01 1xoa h GLN 98 Ca -0.08 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.00 1xoa h GLN 98 Cb 0.78 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.07 1xoa h GLN 98 CO 0.09 0.70 -0.04 1.25 -1.50 0.00 0.00 178.83 179.34 1xoa h LEU 99 N 1.10 -0.09 -0.25 1.46 5.85 -0.66 0.33 115.31 123.05 1xoa h LEU 99 Ca 0.39 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1xoa h LEU 99 Cb 0.12 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1xoa h LEU 99 CO -0.16 0.02 -0.14 0.11 -0.34 0.00 0.00 178.44 177.93 1xoa h LYS 100 N -0.18 -0.11 -0.08 1.25 1.57 -0.24 0.36 116.57 119.12 1xoa h LYS 100 Ca -0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xoa h LYS 100 Cb 0.15 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1xoa h LYS 100 CO 0.02 -0.08 -0.22 0.93 -0.57 0.00 0.00 179.45 179.53 1xoa h GLU 101 N -0.12 -0.30 -0.10 3.15 5.08 -0.74 0.17 114.58 121.73 1xoa h GLU 101 Ca 0.14 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1xoa h GLU 101 Cb 0.32 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1xoa h GLU 101 CO -0.33 -0.20 -0.18 0.35 -1.00 0.00 0.00 179.01 177.65 1xoa h PHE 102 N -0.31 -0.47 0.13 4.33 3.57 -0.49 0.46 116.94 124.16 1xoa h PHE 102 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1xoa h PHE 102 Cb 0.43 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1xoa h PHE 102 CO -0.31 -0.26 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.30 1xoa h LEU 103 N -0.24 -0.38 -0.09 0.59 3.38 -0.53 -1.09 115.31 116.95 1xoa h LEU 103 Ca 0.09 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1xoa h LEU 103 Cb 0.37 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1xoa h LEU 103 CO -0.25 -0.21 -0.20 0.44 0.09 0.00 0.00 178.44 178.31 1xoa h ASP 104 N -0.31 -0.61 -0.95 -0.43 3.32 -0.43 0.19 116.42 117.20 1xoa h ASP 104 Ca 0.01 0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.27 1xoa h ASP 104 Cb 0.30 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.03 1xoa h ASP 104 CO -0.04 -0.26 0.58 0.00 -1.72 0.00 0.00 179.24 177.80 1xoa h ALA 105 N 0.69 1.43 0.03 3.45 0.00 -0.71 0.65 119.26 124.80 1xoa h ALA 105 Ca 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xoa h ALA 105 Cb 0.40 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xoa h ALA 105 CO -0.25 0.18 -0.24 -0.91 0.00 0.00 0.00 179.25 178.02 1xoa h ASN 106 N 0.93 0.17 -0.47 0.00 2.35 -0.51 -3.31 115.58 114.73 1xoa h ASN 106 Ca 0.47 -0.90 0.04 0.00 -0.55 0.00 0.00 56.30 55.37 1xoa h ASN 106 Cb 0.48 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1xoa h ASN 106 CO -0.27 1.05 0.22 -0.07 -1.65 0.00 0.00 177.43 176.71 1xoa h LEU 107 N -0.69 0.31 0.00 1.61 3.38 -0.49 -3.52 115.31 115.91 1xoa h LEU 107 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xoa h LEU 107 Cb 1.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xoa h LEU 107 CO 0.05 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.80