#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt9 s LEU 2 N 0.00 3.08 0.33 4.03 1.43 -1.26 -0.52 118.68 125.76 1xt9 s LEU 2 Ca 0.00 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1xt9 s LEU 2 Cb 0.00 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 1xt9 s LEU 2 CO 0.00 -0.11 0.06 0.27 0.23 0.00 0.00 176.35 176.80 1xt9 s ILE 3 N 1.34 1.19 0.05 -0.59 -5.25 0.11 -0.96 121.20 117.09 1xt9 s ILE 3 Ca 0.01 -2.00 0.09 0.00 -0.99 0.00 0.00 60.65 57.76 1xt9 s ILE 3 Cb -0.16 -2.79 -0.03 0.00 2.95 0.00 0.00 42.46 42.43 1xt9 s ILE 3 CO -0.05 0.00 -0.24 -0.54 -1.79 0.00 0.00 174.94 172.32 1xt9 s LYS 4 N -3.89 1.87 -0.18 0.37 1.02 -0.26 -0.48 119.74 118.20 1xt9 s LYS 4 Ca 0.36 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1xt9 s LYS 4 Cb 0.09 -2.04 0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1xt9 s LYS 4 CO 0.16 0.52 -0.11 0.08 -0.92 0.00 0.00 175.35 175.07 1xt9 s VAL 5 N -0.85 1.60 -0.14 3.17 1.01 0.96 -0.06 120.40 126.10 1xt9 s VAL 5 Ca 0.13 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1xt9 s VAL 5 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1xt9 s VAL 5 CO 0.03 0.26 0.03 -0.75 0.00 0.00 0.00 175.10 174.68 1xt9 s LYS 6 N 1.43 3.51 0.72 2.72 2.20 -0.14 -0.62 119.74 129.56 1xt9 s LYS 6 Ca 0.01 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.15 1xt9 s LYS 6 Cb -0.15 -3.01 0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1xt9 s LYS 6 CO -0.09 0.48 1.09 0.95 -0.36 0.00 0.00 175.35 177.42 1xt9 s THR 7 N -0.25 3.00 -0.43 3.43 -4.23 -0.71 -0.51 115.64 115.95 1xt9 s THR 7 Ca 0.07 0.22 0.23 0.00 -1.18 0.00 0.00 61.69 61.03 1xt9 s THR 7 Cb -0.12 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.65 1xt9 s THR 7 CO 0.02 -0.38 1.70 0.18 -0.54 0.00 0.00 174.62 175.59 1xt9 n LEU 8 N -3.03 0.64 -0.04 4.79 4.77 -1.21 -1.79 117.00 121.14 1xt9 n LEU 8 Ca 0.07 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1xt9 n LEU 8 Cb 0.59 -0.63 0.18 0.00 -2.33 0.00 0.00 43.42 41.23 1xt9 n LEU 8 CO 0.56 -0.64 0.37 0.35 -1.33 0.00 0.00 177.39 176.70 1xt9 n THR 9 N -2.24 0.00 0.00 -5.08 -2.24 -1.26 -4.97 114.28 98.49 1xt9 n THR 9 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1xt9 n THR 9 Cb 0.19 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1xt9 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xt9 n GLY 10 N 1.48 2.48 3.70 3.38 0.00 -0.74 -5.09 105.19 110.41 1xt9 n GLY 10 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1xt9 n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xt9 n LYS 11 N -0.63 1.98 -4.38 1.61 2.85 -1.26 -4.70 118.16 113.63 1xt9 n LYS 11 Ca 0.00 0.70 -0.34 0.00 -1.05 0.00 0.00 58.31 57.62 1xt9 n LYS 11 Cb 0.00 -2.39 -0.14 0.00 -0.65 0.00 0.00 35.03 31.86 1xt9 n LYS 11 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xt9 s GLU 12 N -2.16 3.43 -0.07 -1.58 2.02 -1.26 -1.74 118.70 117.33 1xt9 s GLU 12 Ca 0.60 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.98 1xt9 s GLU 12 Cb -0.51 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 1xt9 s GLU 12 CO 0.59 0.06 -0.12 0.42 0.02 0.00 0.00 175.26 176.23 1xt9 s ILE 13 N 0.77 3.23 -0.19 -1.63 1.09 0.21 -4.97 121.20 119.71 1xt9 s ILE 13 Ca -0.03 -0.65 -0.02 0.00 -1.10 0.00 0.00 60.65 58.85 1xt9 s ILE 13 Cb -0.15 -2.30 -0.01 0.00 -1.06 0.00 0.00 42.46 38.95 1xt9 s ILE 13 CO 0.02 0.58 -0.10 -0.70 -0.10 0.00 0.00 174.94 174.64 1xt9 s GLU 14 N -0.52 3.32 0.15 2.79 2.12 -1.26 -0.03 118.70 125.27 1xt9 s GLU 14 Ca 0.07 -0.68 0.11 0.00 0.36 0.00 0.00 54.97 54.83 1xt9 s GLU 14 Cb -0.12 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 1xt9 s GLU 14 CO 0.02 -0.07 -0.25 0.42 -0.54 0.00 0.00 175.26 174.84 1xt9 s ILE 15 N 1.10 2.21 -0.14 -3.70 1.09 0.37 -4.97 121.20 117.15 1xt9 s ILE 15 Ca 0.01 -1.85 0.00 0.00 -1.10 0.00 0.00 60.65 57.71 1xt9 s ILE 15 Cb -0.15 -1.99 -0.01 0.00 -1.06 0.00 0.00 42.46 39.25 1xt9 s ILE 15 CO -0.02 -0.02 -0.14 -0.62 -0.10 0.00 0.00 174.94 174.03 1xt9 s ASP 16 N -2.30 3.84 0.10 3.58 -1.08 -1.26 -0.71 116.67 118.84 1xt9 s ASP 16 Ca 0.16 -0.40 -0.10 0.00 -0.52 0.00 0.00 52.55 51.69 1xt9 s ASP 16 Cb -0.09 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.78 1xt9 s ASP 16 CO 0.07 0.12 0.22 0.27 0.52 0.00 0.00 175.17 176.38 1xt9 s ILE 17 N 0.59 0.13 0.11 4.11 -4.36 0.32 -4.89 121.20 117.20 1xt9 s ILE 17 Ca -0.08 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.20 1xt9 s ILE 17 Cb -0.16 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1xt9 s ILE 17 CO 0.03 -0.58 0.20 -1.61 0.24 0.00 0.00 174.94 173.23 1xt9 s GLU 18 N -3.86 3.26 0.61 0.37 0.41 -1.26 0.17 118.70 118.40 1xt9 s GLU 18 Ca 0.06 -0.60 0.30 0.00 -0.41 0.00 0.00 54.97 54.31 1xt9 s GLU 18 Cb 0.04 -2.90 1.63 0.00 -1.78 0.00 0.00 34.13 31.12 1xt9 s GLU 18 CO -0.10 0.55 2.00 -1.35 -0.49 0.00 0.00 175.26 175.88 1xt9 h PRO 19 N 2.69 0.00 0.00 0.39 0.11 -1.96 -0.50 132.00 132.73 1xt9 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xt9 h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xt9 h PRO 19 CO 0.70 0.00 -0.22 -2.37 -0.21 0.00 0.00 178.00 175.90 1xt9 n THR 20 N -3.53 0.32 -2.46 -1.15 5.66 -1.26 -1.36 114.28 110.50 1xt9 n THR 20 Ca 0.03 -0.18 -0.41 0.00 -3.05 0.00 0.00 64.05 60.44 1xt9 n THR 20 Cb 0.44 -0.35 -0.04 0.00 -1.55 0.00 0.00 70.33 68.83 1xt9 n THR 20 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1xt9 s ASP 21 N -3.91 7.23 0.84 1.09 1.01 -0.20 -4.80 116.67 117.93 1xt9 s ASP 21 Ca 0.10 2.23 -0.12 0.00 0.71 0.00 0.00 52.55 55.48 1xt9 s ASP 21 Cb 0.15 -2.62 0.09 0.00 1.01 0.00 0.00 42.92 41.55 1xt9 s ASP 21 CO 0.63 -0.21 1.10 -0.54 0.21 0.00 0.00 175.17 176.35 1xt9 s LYS 22 N -0.97 1.77 0.52 8.23 1.02 -1.26 -1.44 119.74 127.61 1xt9 s LYS 22 Ca 0.47 0.65 0.21 0.00 0.02 0.00 0.00 55.97 57.32 1xt9 s LYS 22 Cb -0.32 -1.88 1.37 0.00 -0.52 0.00 0.00 37.83 36.48 1xt9 s LYS 22 CO 0.39 -1.84 2.12 0.28 -0.92 0.00 0.00 175.35 175.38 1xt9 h VAL 23 N -1.25 0.85 -0.68 3.17 2.07 -0.53 -1.17 116.25 118.71 1xt9 h VAL 23 Ca -0.48 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1xt9 h VAL 23 Cb 1.28 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1xt9 h VAL 23 CO 0.58 0.07 0.44 -0.08 0.02 0.00 0.00 177.57 178.61 1xt9 h GLU 24 N 0.00 0.87 0.00 1.57 4.81 -1.55 -0.52 114.58 119.76 1xt9 h GLU 24 Ca -0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1xt9 h GLU 24 Cb 0.14 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xt9 h GLU 24 CO 0.01 0.58 -0.41 -0.09 -0.73 0.00 0.00 179.01 178.36 1xt9 h ARG 25 N 0.90 0.00 -0.09 1.92 9.65 -1.53 -2.64 114.38 122.60 1xt9 h ARG 25 Ca 0.25 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1xt9 h ARG 25 Cb -0.08 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1xt9 h ARG 25 CO -0.06 0.41 -0.05 0.82 2.80 0.00 0.00 179.97 183.89 1xt9 h ILE 26 N 0.00 1.33 -0.75 1.20 2.04 -0.81 -2.31 117.51 118.22 1xt9 h ILE 26 Ca -0.00 -1.11 0.10 0.00 1.00 0.00 0.00 64.86 64.84 1xt9 h ILE 26 Cb 0.76 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 1xt9 h ILE 26 CO 0.05 0.31 0.49 0.11 0.00 0.00 0.00 178.15 179.11 1xt9 h LYS 27 N -0.19 0.63 -0.38 2.37 1.57 -1.00 -1.12 116.57 118.45 1xt9 h LYS 27 Ca 0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1xt9 h LYS 27 Cb 0.52 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xt9 h LYS 27 CO 0.01 0.42 0.02 0.93 -0.57 0.00 0.00 179.45 180.27 1xt9 h GLU 28 N 0.65 0.65 -0.05 3.15 5.08 -1.30 -1.01 114.58 121.75 1xt9 h GLU 28 Ca 0.34 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1xt9 h GLU 28 Cb 0.47 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xt9 h GLU 28 CO -0.12 0.74 0.03 0.00 -1.00 0.00 0.00 179.01 178.66 1xt9 h ARG 29 N 0.48 0.04 -0.15 2.33 2.47 -0.67 -0.86 114.38 118.02 1xt9 h ARG 29 Ca 0.11 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.78 1xt9 h ARG 29 Cb 0.43 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1xt9 h ARG 29 CO 0.01 0.02 -0.10 0.28 0.56 0.00 0.00 179.97 180.75 1xt9 h VAL 30 N 0.04 1.33 -0.62 2.04 2.07 -0.59 -3.09 116.25 117.42 1xt9 h VAL 30 Ca 0.02 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1xt9 h VAL 30 Cb 0.04 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1xt9 h VAL 30 CO -0.00 0.35 0.41 -0.08 0.02 0.00 0.00 177.57 178.26 1xt9 h GLU 31 N -0.02 0.78 -0.19 1.57 4.81 0.09 -0.73 114.58 120.88 1xt9 h GLU 31 Ca 0.03 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1xt9 h GLU 31 Cb 0.59 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1xt9 h GLU 31 CO 0.03 0.51 0.17 0.93 -0.73 0.00 0.00 179.01 179.91 1xt9 h GLU 32 N 0.80 0.00 0.00 1.92 5.08 -1.15 0.16 114.58 121.38 1xt9 h GLU 32 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1xt9 h GLU 32 Cb -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1xt9 h GLU 32 CO -0.06 0.00 -1.53 1.63 -1.00 0.00 0.00 179.01 178.05 1xt9 n LYS 33 N -4.14 0.41 -0.14 2.33 5.02 -0.65 -4.68 118.16 116.31 1xt9 n LYS 33 Ca 0.02 -0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1xt9 n LYS 33 Cb 0.30 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1xt9 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xt9 n GLU 34 N -1.92 1.21 -4.37 1.97 -0.58 -0.37 -5.02 120.64 111.57 1xt9 n GLU 34 Ca -0.03 -1.71 -0.37 0.00 -0.42 0.00 0.00 57.16 54.64 1xt9 n GLU 34 Cb 0.32 -1.03 -0.07 0.00 -0.57 0.00 0.00 31.44 30.09 1xt9 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xt9 n GLY 35 N -0.72 -0.31 3.22 0.62 0.00 0.54 -4.94 105.19 103.61 1xt9 n GLY 35 Ca 0.07 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1xt9 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xt9 s ILE 36 N -3.67 3.01 0.18 -0.61 -1.09 -1.25 -5.04 121.20 112.73 1xt9 s ILE 36 Ca 0.49 -0.96 -0.32 0.00 -2.23 0.00 0.00 60.65 57.63 1xt9 s ILE 36 Cb -0.28 -2.52 -0.15 0.00 -1.58 0.00 0.00 42.46 37.93 1xt9 s ILE 36 CO 0.99 0.20 1.17 -2.65 -1.23 0.00 0.00 174.94 173.42 1xt9 n PRO 37 N 4.70 1.22 -0.34 2.79 -0.02 -1.26 -4.13 135.00 137.95 1xt9 n PRO 37 Ca -0.16 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1xt9 n PRO 37 Cb 0.47 -1.93 0.21 0.00 -0.02 0.00 0.00 33.50 32.23 1xt9 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xt9 h PRO 38 N 3.34 0.92 -0.34 0.52 0.11 -1.96 -0.84 132.00 133.75 1xt9 h PRO 38 Ca -0.43 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1xt9 h PRO 38 Cb 1.34 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xt9 h PRO 38 CO 0.70 0.61 0.29 0.37 -0.21 0.00 0.00 178.00 179.75 1xt9 h GLN 39 N 0.94 0.00 -0.47 1.05 4.15 -1.96 0.18 115.11 119.00 1xt9 h GLN 39 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1xt9 h GLN 39 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1xt9 h GLN 39 CO -0.26 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.68 1xt9 n GLN 40 N -4.13 2.39 -3.96 1.69 1.13 -0.33 -4.91 117.38 109.25 1xt9 n GLN 40 Ca 0.05 -2.12 -0.32 0.00 -1.94 0.00 0.00 57.00 52.67 1xt9 n GLN 40 Cb 0.46 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 1xt9 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1xt9 s GLN 41 N -1.38 3.31 -0.04 -1.09 -0.21 0.64 -1.21 119.66 119.68 1xt9 s GLN 41 Ca 0.40 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.34 1xt9 s GLN 41 Cb 0.22 -2.99 0.03 0.00 1.00 0.00 0.00 33.01 31.26 1xt9 s GLN 41 CO 0.30 0.63 -0.01 1.03 -2.12 0.00 0.00 175.29 175.12 1xt9 s ARG 42 N -2.17 0.45 -0.05 2.91 1.81 -0.78 -4.85 118.95 116.28 1xt9 s ARG 42 Ca 0.30 0.05 0.04 0.00 -1.72 0.00 0.00 55.73 54.40 1xt9 s ARG 42 Cb -0.13 -0.64 -0.02 0.00 -0.45 0.00 0.00 34.95 33.71 1xt9 s ARG 42 CO 0.22 -0.15 -0.16 -0.51 -0.68 0.00 0.00 175.30 174.02 1xt9 s LEU 43 N 1.17 2.65 -0.01 2.53 1.43 -1.26 -1.52 118.68 123.68 1xt9 s LEU 43 Ca -0.08 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1xt9 s LEU 43 Cb -0.13 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1xt9 s LEU 43 CO -0.02 0.34 -0.17 0.27 0.23 0.00 0.00 176.35 177.00 1xt9 s ILE 44 N -0.70 1.33 -0.04 -0.59 -4.36 -0.14 -0.61 121.20 116.09 1xt9 s ILE 44 Ca 0.11 -0.76 -0.14 0.00 -0.26 0.00 0.00 60.65 59.59 1xt9 s ILE 44 Cb -0.11 -1.11 0.03 0.00 1.25 0.00 0.00 42.46 42.52 1xt9 s ILE 44 CO 0.00 0.34 0.32 -0.47 0.24 0.00 0.00 174.94 175.37 1xt9 s TYR 45 N -0.44 -0.22 -1.56 1.37 5.04 -0.64 -1.11 117.35 119.78 1xt9 s TYR 45 Ca 0.06 0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 55.01 1xt9 s TYR 45 Cb -0.07 0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.43 1xt9 s TYR 45 CO -0.00 -0.35 0.58 0.43 -1.34 0.00 0.00 175.55 174.87 1xt9 n SER 46 N 1.60 -1.76 0.00 4.32 7.64 -1.26 -1.89 113.62 122.28 1xt9 n SER 46 Ca -0.20 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1xt9 n SER 46 Cb 0.56 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 1xt9 n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xt9 n GLY 47 N -1.74 0.39 3.32 0.23 0.00 -1.26 -5.01 105.19 101.12 1xt9 n GLY 47 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1xt9 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xt9 s LYS 48 N -0.52 1.14 0.85 1.61 1.02 -0.79 -5.16 119.74 117.88 1xt9 s LYS 48 Ca 0.00 -1.20 -0.12 0.00 0.02 0.00 0.00 55.97 54.67 1xt9 s LYS 48 Cb 0.00 0.36 0.10 0.00 -0.52 0.00 0.00 37.83 37.78 1xt9 s LYS 48 CO 0.00 -0.41 1.13 1.14 -0.92 0.00 0.00 175.35 176.29 1xt9 s GLN 49 N -3.98 1.65 -0.18 1.68 0.00 -1.26 -1.62 119.66 115.95 1xt9 s GLN 49 Ca 0.18 0.37 -0.00 0.00 -0.00 0.00 0.00 55.36 55.91 1xt9 s GLN 49 Cb 0.04 -1.89 0.01 0.00 0.00 0.00 0.00 33.01 31.17 1xt9 s GLN 49 CO 0.00 -1.86 -0.16 -1.64 0.00 0.00 0.00 175.29 171.63 1xt9 s MET 50 N -5.30 3.11 -0.31 9.60 -1.94 0.22 -4.78 119.30 119.90 1xt9 s MET 50 Ca 0.62 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 53.55 1xt9 s MET 50 Cb -0.14 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 1xt9 s MET 50 CO 0.53 -0.17 2.01 1.21 -0.01 0.00 0.00 175.02 178.59 1xt9 s ASN 51 N 1.24 5.59 0.49 3.03 3.84 -1.26 -4.74 114.94 123.13 1xt9 s ASN 51 Ca 0.03 1.47 0.40 0.00 0.21 0.00 0.00 52.86 54.97 1xt9 s ASN 51 Cb -0.14 -2.52 1.58 0.00 -0.55 0.00 0.00 41.25 39.63 1xt9 s ASN 51 CO -0.08 -1.92 1.60 0.44 -2.79 0.00 0.00 177.10 174.34 1xt9 h ASP 52 N 14.31 0.12 1.66 -4.21 5.19 -1.98 0.22 116.42 131.74 1xt9 h ASP 52 Ca -0.35 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1xt9 h ASP 52 Cb 1.20 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1xt9 h ASP 52 CO 1.02 -0.13 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.62 1xt9 h GLU 53 N 0.02 0.00 -7.10 3.56 4.39 -1.96 -1.51 114.58 111.99 1xt9 h GLU 53 Ca 0.88 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 60.08 1xt9 h GLU 53 Cb 3.14 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 31.83 1xt9 h GLU 53 CO -0.25 0.00 0.24 0.15 -1.16 0.00 0.00 179.01 177.99 1xt9 s LYS 54 N -3.16 3.58 0.54 2.33 1.02 0.78 -4.80 119.74 120.04 1xt9 s LYS 54 Ca 0.09 0.44 0.03 0.00 0.02 0.00 0.00 55.97 56.55 1xt9 s LYS 54 Cb 0.09 -2.25 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1xt9 s LYS 54 CO 0.64 -0.34 0.74 0.95 -0.92 0.00 0.00 175.35 176.42 1xt9 s THR 55 N -2.90 2.66 0.42 2.17 -4.23 -1.26 -0.74 115.64 111.77 1xt9 s THR 55 Ca 0.51 -0.77 0.11 0.00 -1.18 0.00 0.00 61.69 60.36 1xt9 s THR 55 Cb -0.11 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1xt9 s THR 55 CO 0.48 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.55 1xt9 h ALA 56 N 0.17 1.66 0.11 3.99 0.00 -1.17 -2.26 119.26 121.75 1xt9 h ALA 56 Ca -0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1xt9 h ALA 56 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xt9 h ALA 56 CO 0.48 0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.93 1xt9 h ALA 57 N 1.75 -0.14 -0.94 0.00 0.00 -1.50 -0.81 119.26 117.62 1xt9 h ALA 57 Ca 0.05 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.05 1xt9 h ALA 57 Cb 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1xt9 h ALA 57 CO 0.01 -0.45 0.63 -0.44 0.00 0.00 0.00 179.25 179.00 1xt9 h ASP 58 N -0.40 0.32 -0.34 0.00 3.32 -1.69 0.37 116.42 117.99 1xt9 h ASP 58 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xt9 h ASP 58 Cb 0.33 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xt9 h ASP 58 CO 0.02 0.11 0.00 -1.22 -1.72 0.00 0.00 179.24 176.43 1xt9 n TYR 59 N -4.47 0.44 -2.48 4.55 4.02 -1.07 -4.93 117.16 113.22 1xt9 n TYR 59 Ca 0.21 -0.22 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 1xt9 n TYR 59 Cb 0.81 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.12 1xt9 n TYR 59 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1xt9 n LYS 60 N 0.91 -2.11 -1.86 -0.72 5.02 0.13 -4.95 118.16 114.59 1xt9 n LYS 60 Ca 0.17 0.98 -0.37 0.00 -2.02 0.00 0.00 58.31 57.07 1xt9 n LYS 60 Cb 0.45 -5.67 0.04 0.00 -0.02 0.00 0.00 35.03 29.84 1xt9 n LYS 60 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xt9 s ILE 61 N -3.04 2.26 0.26 -0.18 -1.09 -0.36 -5.02 121.20 114.03 1xt9 s ILE 61 Ca 0.04 0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.65 1xt9 s ILE 61 Cb -0.02 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1xt9 s ILE 61 CO 0.05 -0.02 0.15 -0.76 -1.23 0.00 0.00 174.94 173.13 1xt9 s LEU 62 N -3.86 1.46 0.25 2.97 1.43 -1.26 -4.84 118.68 114.83 1xt9 s LEU 62 Ca 0.76 -1.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.06 1xt9 s LEU 62 Cb -0.37 0.30 -0.11 0.00 0.03 0.00 0.00 46.19 46.04 1xt9 s LEU 62 CO 0.41 -0.87 1.56 -0.83 0.23 0.00 0.00 176.35 176.86 1xt9 s GLY 63 N -3.28 1.95 0.00 -3.19 0.00 -1.26 -1.37 107.32 100.17 1xt9 s GLY 63 Ca 0.38 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1xt9 s GLY 63 CO 0.16 2.53 0.00 0.61 0.00 0.00 0.00 173.10 176.40 1xt9 n GLY 64 N 2.71 1.10 3.77 0.20 0.00 -0.14 -5.00 105.19 107.82 1xt9 n GLY 64 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1xt9 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xt9 s SER 65 N -3.06 6.45 -0.35 1.61 0.01 -0.47 -4.76 113.70 113.13 1xt9 s SER 65 Ca 0.00 2.78 -0.04 0.00 1.31 0.00 0.00 55.95 59.99 1xt9 s SER 65 Cb 0.00 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.64 1xt9 s SER 65 CO 0.00 -0.77 0.10 -0.69 0.41 0.00 0.00 173.24 172.29 1xt9 s VAL 66 N -1.18 3.46 0.09 3.43 1.01 -1.26 -1.10 120.40 124.84 1xt9 s VAL 66 Ca 0.53 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1xt9 s VAL 66 Cb -0.41 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1xt9 s VAL 66 CO 0.54 -0.29 0.39 -0.76 0.00 0.00 0.00 175.10 174.98 1xt9 s LEU 67 N 1.30 4.33 -0.12 3.92 1.43 0.91 -4.89 118.68 125.57 1xt9 s LEU 67 Ca -0.01 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1xt9 s LEU 67 Cb -0.21 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1xt9 s LEU 67 CO 0.00 0.15 0.03 -1.00 0.23 0.00 0.00 176.35 175.77 1xt9 s HIS 68 N -1.45 3.24 -0.21 0.29 3.76 -0.27 -0.97 115.29 119.69 1xt9 s HIS 68 Ca 0.34 0.19 -0.07 0.00 -0.15 0.00 0.00 55.06 55.37 1xt9 s HIS 68 Cb -0.13 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 1xt9 s HIS 68 CO 0.19 0.41 0.06 -1.17 -0.85 0.00 0.00 174.74 173.38 1xt9 s LEU 69 N -0.56 3.61 -0.04 0.89 2.96 0.33 -0.97 118.68 124.91 1xt9 s LEU 69 Ca 0.10 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1xt9 s LEU 69 Cb -0.12 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1xt9 s LEU 69 CO 0.02 0.09 -0.11 0.54 -1.32 0.00 0.00 176.35 175.57 1xt9 s VAL 70 N 0.86 0.96 0.45 1.68 0.11 -0.58 -3.33 120.40 120.56 1xt9 s VAL 70 Ca 0.03 -0.44 -0.17 0.00 -2.93 0.00 0.00 61.98 58.47 1xt9 s VAL 70 Cb -0.14 -0.86 -0.09 0.00 -1.53 0.00 0.00 36.38 33.77 1xt9 s VAL 70 CO 0.02 0.30 0.91 -0.76 -3.33 0.00 0.00 175.10 172.24 1xt9 s LEU 71 N 0.28 3.81 -0.31 2.54 1.43 -1.26 -1.87 118.68 123.30 1xt9 s LEU 71 Ca -0.06 1.51 -0.44 0.00 -1.03 0.00 0.00 54.13 54.11 1xt9 s LEU 71 Cb -0.11 -4.40 -0.20 0.00 0.03 0.00 0.00 46.19 41.52 1xt9 s LEU 71 CO 0.01 -0.44 1.42 0.00 0.23 0.00 0.00 176.35 177.57 1xt9 n ALA 72 N -1.09 -2.11 -2.64 4.21 0.00 -0.35 -4.91 120.51 113.62 1xt9 n ALA 72 Ca 0.06 0.53 -0.34 0.00 0.00 0.00 0.00 53.44 53.69 1xt9 n ALA 72 Cb 0.54 -1.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 1xt9 n ALA 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xt9 s LEU 73 N 1.94 3.39 0.35 0.00 1.43 -1.26 -5.10 118.68 119.42 1xt9 s LEU 73 Ca 1.00 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 54.01 1xt9 s LEU 73 Cb -1.40 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 43.01 1xt9 s LEU 73 CO 0.72 0.33 0.62 0.00 0.23 0.00 0.00 176.35 178.26 1xt9 s ARG 74 N -1.12 2.00 0.00 1.70 1.70 -1.26 -5.18 118.95 116.79 1xt9 s ARG 74 Ca 0.15 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 1xt9 s ARG 74 Cb -0.11 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1xt9 s ARG 74 CO 0.05 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 173.79 1xt9 n GLY 75 N -0.52 1.15 0.00 3.88 0.00 -1.26 -5.33 105.19 103.11 1xt9 n GLY 75 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1xt9 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93