#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndd s LEU 2 N 0.00 4.22 0.35 -0.89 1.43 -1.26 -0.55 118.68 121.97 1ndd s LEU 2 Ca 0.00 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1ndd s LEU 2 Cb 0.00 -2.62 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 1ndd s LEU 2 CO 0.00 -0.40 -0.05 0.27 0.23 0.00 0.00 176.35 176.39 1ndd s ILE 3 N 2.37 2.34 -0.07 -0.59 -4.36 0.02 -0.92 121.20 119.99 1ndd s ILE 3 Ca 0.20 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 1ndd s ILE 3 Cb -0.15 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 1ndd s ILE 3 CO 0.12 -0.19 -0.09 -0.54 0.24 0.00 0.00 174.94 174.48 1ndd s LYS 4 N -3.65 2.71 -0.26 0.37 1.02 -0.45 -0.95 119.74 118.54 1ndd s LYS 4 Ca 0.33 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.75 1ndd s LYS 4 Cb 0.02 -2.53 0.05 0.00 -0.52 0.00 0.00 37.83 34.85 1ndd s LYS 4 CO 0.17 0.63 -0.10 0.08 -0.92 0.00 0.00 175.35 175.21 1ndd s VAL 5 N -0.72 2.27 0.03 3.17 1.01 -0.41 -0.34 120.40 125.42 1ndd s VAL 5 Ca 0.11 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1ndd s VAL 5 Cb -0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1ndd s VAL 5 CO 0.01 0.01 0.08 -0.75 0.00 0.00 0.00 175.10 174.46 1ndd s LYS 6 N 1.14 2.99 0.33 2.72 2.20 0.32 -1.97 119.74 127.47 1ndd s LYS 6 Ca -0.07 -0.58 0.09 0.00 -0.36 0.00 0.00 55.97 55.05 1ndd s LYS 6 Cb -0.19 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1ndd s LYS 6 CO -0.05 0.61 0.05 0.95 -0.36 0.00 0.00 175.35 176.55 1ndd s THR 7 N -1.29 2.85 0.31 3.43 -4.23 -0.95 -0.66 115.64 115.10 1ndd s THR 7 Ca 0.26 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1ndd s THR 7 Cb -0.12 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 71.14 1ndd s THR 7 CO 0.18 -0.22 1.95 0.25 -0.54 0.00 0.00 174.62 176.24 1ndd h LEU 8 N 1.74 0.88 0.00 4.79 5.85 -1.90 -2.06 115.31 124.61 1ndd h LEU 8 Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1ndd h LEU 8 Cb 1.25 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ndd h LEU 8 CO 0.65 0.60 0.00 0.35 -0.34 0.00 0.00 178.44 179.70 1ndd n THR 9 N -4.45 0.00 0.00 1.05 -2.24 -1.26 -4.90 114.28 102.48 1ndd n THR 9 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1ndd n THR 9 Cb 0.13 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1ndd n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ndd n GLY 10 N 0.36 3.09 3.75 3.38 0.00 -0.77 -5.07 105.19 109.92 1ndd n GLY 10 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ndd n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ndd s LYS 11 N -0.38 4.38 0.21 1.61 1.02 -1.26 -4.76 119.74 120.56 1ndd s LYS 11 Ca 0.00 2.13 0.11 0.00 0.02 0.00 0.00 55.97 58.23 1ndd s LYS 11 Cb 0.00 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 1ndd s LYS 11 CO 0.00 -0.23 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.79 1ndd s GLU 12 N -0.71 1.66 0.00 1.68 2.02 -1.26 -2.24 118.70 119.85 1ndd s GLU 12 Ca 0.54 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1ndd s GLU 12 Cb -0.38 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.96 1ndd s GLU 12 CO 0.43 0.39 -0.01 0.96 0.02 0.00 0.00 175.26 177.06 1ndd s ILE 13 N -1.88 0.04 -0.07 -1.63 -4.36 -0.83 -4.97 121.20 107.50 1ndd s ILE 13 Ca 0.24 -0.06 -0.19 0.00 -0.26 0.00 0.00 60.65 60.38 1ndd s ILE 13 Cb -0.07 -0.05 -0.05 0.00 1.25 0.00 0.00 42.46 43.54 1ndd s ILE 13 CO 0.12 -0.01 0.54 -1.61 0.24 0.00 0.00 174.94 174.22 1ndd s GLU 14 N -0.07 4.31 -0.05 0.37 0.41 -1.26 -1.28 118.70 121.12 1ndd s GLU 14 Ca -0.00 0.59 0.04 0.00 -0.41 0.00 0.00 54.97 55.19 1ndd s GLU 14 Cb -0.01 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1ndd s GLU 14 CO -0.00 0.25 -0.17 0.42 -0.49 0.00 0.00 175.26 175.27 1ndd s ILE 15 N 0.27 1.43 -0.25 -1.63 -1.09 -0.12 -4.97 121.20 114.85 1ndd s ILE 15 Ca 0.29 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.90 1ndd s ILE 15 Cb -0.17 -1.25 -0.05 0.00 -1.58 0.00 0.00 42.46 39.42 1ndd s ILE 15 CO 0.14 0.42 0.20 -0.62 -1.23 0.00 0.00 174.94 173.85 1ndd s ASP 16 N 0.21 6.13 0.29 3.58 -1.08 -1.26 -0.80 116.67 123.75 1ndd s ASP 16 Ca -0.08 0.13 0.04 0.00 -0.52 0.00 0.00 52.55 52.13 1ndd s ASP 16 Cb -0.13 -2.13 -0.03 0.00 -1.46 0.00 0.00 42.92 39.17 1ndd s ASP 16 CO 0.03 0.01 0.24 0.27 0.52 0.00 0.00 175.17 176.24 1ndd s ILE 17 N 1.31 0.00 0.15 4.11 -4.36 0.29 -4.91 121.20 117.79 1ndd s ILE 17 Ca 0.09 -1.98 0.07 0.00 -0.26 0.00 0.00 60.65 58.57 1ndd s ILE 17 Cb -0.14 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1ndd s ILE 17 CO 0.07 0.00 -0.16 -1.61 0.24 0.00 0.00 174.94 173.48 1ndd s GLU 18 N -3.65 1.16 0.41 0.37 0.41 -1.26 -1.10 118.70 115.04 1ndd s GLU 18 Ca 0.40 -1.35 0.14 0.00 -0.41 0.00 0.00 54.97 53.76 1ndd s GLU 18 Cb 0.04 -1.11 1.01 0.00 -1.78 0.00 0.00 34.13 32.29 1ndd s GLU 18 CO 0.23 0.22 1.91 -1.35 -0.49 0.00 0.00 175.26 175.78 1ndd h PRO 19 N 3.30 0.45 -0.00 0.39 0.11 -1.95 -1.24 132.00 133.06 1ndd h PRO 19 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ndd h PRO 19 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ndd h PRO 19 CO 0.52 0.30 -0.10 0.25 -0.21 0.00 0.00 178.00 178.76 1ndd n THR 20 N -4.49 0.00 -2.24 -1.15 -2.24 -1.26 -1.45 114.28 101.46 1ndd n THR 20 Ca 0.15 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1ndd n THR 20 Cb 0.51 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1ndd n THR 20 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ndd s ASP 21 N -2.51 6.94 0.48 3.42 1.01 -0.47 -4.81 116.67 120.72 1ndd s ASP 21 Ca 0.28 2.52 -0.16 0.00 0.71 0.00 0.00 52.55 55.91 1ndd s ASP 21 Cb 0.20 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 1ndd s ASP 21 CO 0.48 -0.42 0.93 -0.54 0.21 0.00 0.00 175.17 175.83 1ndd s LYS 22 N -1.43 3.94 0.48 8.23 1.02 -1.26 -1.12 119.74 129.60 1ndd s LYS 22 Ca 0.49 0.86 0.21 0.00 0.02 0.00 0.00 55.97 57.54 1ndd s LYS 22 Cb -0.37 -2.20 1.24 0.00 -0.52 0.00 0.00 37.83 35.98 1ndd s LYS 22 CO 0.47 -0.19 1.97 0.28 -0.92 0.00 0.00 175.35 176.96 1ndd h VAL 23 N 1.07 0.77 -0.54 3.17 2.07 -0.71 0.97 116.25 123.06 1ndd h VAL 23 Ca -0.47 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1ndd h VAL 23 Cb 1.18 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1ndd h VAL 23 CO 0.62 0.03 0.36 -0.08 0.02 0.00 0.00 177.57 178.52 1ndd h GLU 24 N 0.19 0.69 -0.19 1.57 4.57 -1.70 -1.36 114.58 118.33 1ndd h GLU 24 Ca 0.29 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.29 1ndd h GLU 24 Cb 0.90 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1ndd h GLU 24 CO -0.05 0.45 -0.47 -0.09 -1.18 0.00 0.00 179.01 177.67 1ndd h ARG 25 N 0.71 0.50 -0.43 1.92 2.43 -1.12 -1.32 114.38 117.07 1ndd h ARG 25 Ca 0.20 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1ndd h ARG 25 Cb -0.05 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1ndd h ARG 25 CO -0.05 0.87 0.25 0.82 -1.51 0.00 0.00 179.97 180.35 1ndd h ILE 26 N 0.40 1.15 -0.55 1.20 2.04 -1.16 -0.66 117.51 119.93 1ndd h ILE 26 Ca 0.02 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1ndd h ILE 26 Cb 0.98 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1ndd h ILE 26 CO 0.09 0.15 0.23 0.11 0.00 0.00 0.00 178.15 178.73 1ndd h LYS 27 N 0.56 0.78 -0.14 2.37 1.57 -1.16 -1.54 116.57 119.01 1ndd h LYS 27 Ca 0.15 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ndd h LYS 27 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1ndd h LYS 27 CO -0.03 0.64 -0.28 0.93 -0.57 0.00 0.00 179.45 180.14 1ndd h GLU 28 N 0.78 0.27 -0.38 3.15 5.08 -0.52 -0.56 114.58 122.39 1ndd h GLU 28 Ca 0.19 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1ndd h GLU 28 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1ndd h GLU 28 CO -0.02 0.54 -0.40 0.00 -1.00 0.00 0.00 179.01 178.13 1ndd h ARG 29 N 0.24 0.94 -0.72 2.33 -0.00 -0.28 -1.36 114.38 115.53 1ndd h ARG 29 Ca 0.04 -0.50 -0.05 0.00 -0.50 0.00 0.00 59.98 58.96 1ndd h ARG 29 Cb 0.63 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.59 1ndd h ARG 29 CO 0.05 1.16 0.25 0.28 0.00 0.00 0.00 179.97 181.70 1ndd h VAL 30 N 0.76 1.26 -0.48 2.04 2.07 -0.98 -2.50 116.25 118.43 1ndd h VAL 30 Ca 0.06 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1ndd h VAL 30 Cb 1.00 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1ndd h VAL 30 CO 0.10 0.34 0.10 -0.08 0.02 0.00 0.00 177.57 178.05 1ndd h GLU 31 N 1.05 0.73 -0.81 1.57 4.81 -0.91 0.34 114.58 121.37 1ndd h GLU 31 Ca 0.23 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1ndd h GLU 31 Cb 0.27 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1ndd h GLU 31 CO -0.01 0.68 0.37 0.93 -0.73 0.00 0.00 179.01 180.24 1ndd h GLU 32 N 0.70 1.18 0.00 1.92 5.08 -0.81 0.65 114.58 123.31 1ndd h GLU 32 Ca 0.16 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ndd h GLU 32 Cb 0.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ndd h GLU 32 CO 0.00 0.92 -1.78 0.36 -1.00 0.00 0.00 179.01 177.51 1ndd n LYS 33 N -4.30 0.63 -0.00 2.33 2.85 -1.03 -4.62 118.16 114.02 1ndd n LYS 33 Ca 0.08 -0.13 0.01 0.00 -1.05 0.00 0.00 58.31 57.21 1ndd n LYS 33 Cb 0.15 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 32.94 1ndd n LYS 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ndd n GLU 34 N -2.31 2.71 -1.02 -1.58 -0.58 0.12 -5.03 120.64 112.94 1ndd n GLU 34 Ca -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 1ndd n GLU 34 Cb 0.56 -0.86 -0.00 0.00 -0.57 0.00 0.00 31.44 30.56 1ndd n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ndd n GLY 35 N 1.81 0.46 3.66 0.62 0.00 0.22 -4.98 105.19 106.97 1ndd n GLY 35 Ca -0.00 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1ndd n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ndd s ILE 36 N -1.87 4.96 0.39 -0.61 -1.09 -1.26 -5.00 121.20 116.72 1ndd s ILE 36 Ca 0.00 1.36 -0.27 0.00 -2.23 0.00 0.00 60.65 59.51 1ndd s ILE 36 Cb 0.00 -4.02 -0.09 0.00 -1.58 0.00 0.00 42.46 36.76 1ndd s ILE 36 CO 0.00 0.06 1.36 -2.84 -1.23 0.00 0.00 174.94 172.30 1ndd s PRO 37 N 2.11 4.04 0.39 2.79 0.02 -1.26 -4.05 135.00 139.03 1ndd s PRO 37 Ca 0.32 2.30 0.15 0.00 0.02 0.00 0.00 61.00 63.80 1ndd s PRO 37 Cb -0.16 -2.86 1.00 0.00 0.02 0.00 0.00 34.50 32.50 1ndd s PRO 37 CO 0.11 -0.49 1.83 -1.35 -0.33 0.00 0.00 177.00 176.77 1ndd h PRO 38 N 2.85 0.48 0.00 5.54 0.11 -1.95 -0.64 132.00 138.40 1ndd h PRO 38 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1ndd h PRO 38 Cb 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ndd h PRO 38 CO 0.63 0.32 -0.08 1.96 -0.21 0.00 0.00 178.00 180.62 1ndd h GLN 39 N 0.49 0.00 -0.02 1.05 4.20 -1.96 -1.62 115.11 117.26 1ndd h GLN 39 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1ndd h GLN 39 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1ndd h GLN 39 CO -0.24 0.08 -0.13 1.04 -0.67 0.00 0.00 178.83 178.91 1ndd n GLN 40 N -3.57 1.56 -3.83 1.46 3.00 -0.26 -4.84 117.38 110.91 1ndd n GLN 40 Ca -0.02 -1.10 -0.36 0.00 -0.01 0.00 0.00 57.00 55.51 1ndd n GLN 40 Cb 0.20 -1.48 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1ndd n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1ndd s GLN 41 N -2.19 3.50 -0.15 -1.09 -0.21 -0.61 -0.97 119.66 117.95 1ndd s GLN 41 Ca 0.29 -0.10 -0.01 0.00 0.02 0.00 0.00 55.36 55.56 1ndd s GLN 41 Cb 0.20 -3.16 0.04 0.00 1.00 0.00 0.00 33.01 31.08 1ndd s GLN 41 CO 0.41 0.74 -0.04 0.50 -2.12 0.00 0.00 175.29 174.78 1ndd s ARG 42 N -1.28 1.25 -0.17 2.91 3.52 -0.41 -4.83 118.95 119.94 1ndd s ARG 42 Ca 0.19 -0.38 -0.08 0.00 -0.13 0.00 0.00 55.73 55.34 1ndd s ARG 42 Cb -0.13 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.41 1ndd s ARG 42 CO 0.09 -0.41 0.09 -0.51 -0.81 0.00 0.00 175.30 173.75 1ndd s LEU 43 N 1.72 4.01 -0.06 -0.88 1.43 -1.26 -1.49 118.68 122.16 1ndd s LEU 43 Ca 0.02 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1ndd s LEU 43 Cb -0.15 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1ndd s LEU 43 CO -0.07 0.23 -0.21 -0.63 0.23 0.00 0.00 176.35 175.90 1ndd s ILE 44 N 0.02 1.72 -0.06 -0.59 1.01 0.37 -0.03 121.20 123.64 1ndd s ILE 44 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1ndd s ILE 44 Cb -0.12 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1ndd s ILE 44 CO 0.00 0.48 -0.03 -0.47 0.00 0.00 0.00 174.94 174.93 1ndd s TYR 45 N 0.04 0.74 -1.51 3.97 5.04 -0.01 -0.85 117.35 124.78 1ndd s TYR 45 Ca -0.06 -0.21 -0.10 0.00 -2.44 0.00 0.00 57.07 54.26 1ndd s TYR 45 Cb -0.13 -0.73 0.07 0.00 0.35 0.00 0.00 41.96 41.51 1ndd s TYR 45 CO 0.04 -0.25 0.78 0.43 -1.34 0.00 0.00 175.55 175.21 1ndd n SER 46 N 4.49 -2.97 0.00 4.32 7.64 -1.26 -1.01 113.62 124.83 1ndd n SER 46 Ca -0.18 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1ndd n SER 46 Cb 0.50 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 1ndd n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ndd n GLY 47 N -1.66 0.34 3.31 0.23 0.00 -1.26 -5.01 105.19 101.14 1ndd n GLY 47 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1ndd n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ndd s LYS 48 N -0.65 2.84 -0.00 1.61 3.01 -0.18 -5.09 119.74 121.29 1ndd s LYS 48 Ca 0.00 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 53.83 1ndd s LYS 48 Cb 0.00 -2.33 -0.05 0.00 -1.01 0.00 0.00 37.83 34.44 1ndd s LYS 48 CO 0.00 0.33 1.38 -1.14 0.51 0.00 0.00 175.35 176.43 1ndd s GLN 49 N -0.01 4.29 -0.03 1.68 0.74 -1.26 -0.83 119.66 124.24 1ndd s GLN 49 Ca -0.07 1.94 -0.30 0.00 0.05 0.00 0.00 55.36 56.98 1ndd s GLN 49 Cb -0.15 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1ndd s GLN 49 CO 0.05 -0.56 1.04 -1.64 -0.55 0.00 0.00 175.29 173.64 1ndd s MET 50 N 2.33 4.48 -0.01 1.67 -1.94 0.95 -4.95 119.30 121.84 1ndd s MET 50 Ca 0.63 1.49 -0.30 0.00 -1.71 0.00 0.00 55.69 55.79 1ndd s MET 50 Cb -0.31 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.01 1ndd s MET 50 CO 0.26 -0.21 1.13 1.21 -0.01 0.00 0.00 175.02 177.41 1ndd s ASN 51 N 1.10 7.15 0.31 3.03 3.04 -1.26 -4.72 114.94 123.58 1ndd s ASN 51 Ca 0.52 1.83 0.04 0.00 0.04 0.00 0.00 52.86 55.28 1ndd s ASN 51 Cb -0.22 -2.57 0.63 0.00 -1.54 0.00 0.00 41.25 37.56 1ndd s ASN 51 CO 0.24 -0.46 1.87 0.44 -3.04 0.00 0.00 177.10 176.15 1ndd h ASP 52 N 7.05 0.84 1.32 -4.21 3.32 -1.95 -2.29 116.42 120.50 1ndd h ASP 52 Ca -0.38 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1ndd h ASP 52 Cb 1.19 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ndd h ASP 52 CO 0.83 0.47 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.38 1ndd h GLU 53 N 0.91 0.00 -7.60 3.56 4.39 -1.96 -2.51 114.58 111.36 1ndd h GLU 53 Ca 0.45 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.68 1ndd h GLU 53 Cb 0.48 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.23 1ndd h GLU 53 CO -0.21 0.10 0.39 0.15 -1.16 0.00 0.00 179.01 178.28 1ndd s LYS 54 N -3.47 1.80 0.35 2.33 1.02 -0.86 -4.82 119.74 116.10 1ndd s LYS 54 Ca 0.03 0.13 0.08 0.00 0.02 0.00 0.00 55.97 56.22 1ndd s LYS 54 Cb 0.08 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1ndd s LYS 54 CO 0.62 -1.71 0.25 0.95 -0.92 0.00 0.00 175.35 174.54 1ndd s THR 55 N -3.54 3.23 0.33 2.17 -4.23 -1.26 -0.40 115.64 111.93 1ndd s THR 55 Ca 0.63 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1ndd s THR 55 Cb -0.11 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1ndd s THR 55 CO 0.50 -0.15 1.96 0.00 -0.54 0.00 0.00 174.62 176.38 1ndd h ALA 56 N 1.33 1.55 -0.16 3.99 0.00 -1.06 -1.80 119.26 123.11 1ndd h ALA 56 Ca -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ndd h ALA 56 Cb 1.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ndd h ALA 56 CO 0.60 0.36 0.09 0.00 0.00 0.00 0.00 179.25 180.30 1ndd h ALA 57 N 1.55 1.85 0.00 0.00 0.00 -1.53 -1.79 119.26 119.34 1ndd h ALA 57 Ca 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ndd h ALA 57 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ndd h ALA 57 CO -0.10 0.13 -0.07 -0.44 0.00 0.00 0.00 179.25 178.78 1ndd h ASP 58 N 0.22 0.00 -0.47 0.00 3.32 -1.61 -1.44 116.42 116.44 1ndd h ASP 58 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ndd h ASP 58 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ndd h ASP 58 CO -0.01 0.07 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 1ndd n TYR 59 N -3.38 0.63 -3.82 4.55 4.01 -0.70 -4.98 117.16 113.47 1ndd n TYR 59 Ca -0.01 -0.46 -0.24 0.00 -0.16 0.00 0.00 57.90 57.03 1ndd n TYR 59 Cb 0.22 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1ndd n TYR 59 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ndd n LYS 60 N 0.98 -3.95 -2.81 -0.72 4.81 -0.54 -4.93 118.16 111.00 1ndd n LYS 60 Ca 0.16 0.51 -0.41 0.00 -0.87 0.00 0.00 58.31 57.70 1ndd n LYS 60 Cb 0.50 -4.81 -0.05 0.00 0.02 0.00 0.00 35.03 30.69 1ndd n LYS 60 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ndd s ILE 61 N -3.81 4.59 0.48 3.15 1.01 -1.07 -5.04 121.20 120.51 1ndd s ILE 61 Ca 0.02 1.93 0.02 0.00 0.00 0.00 0.00 60.65 62.62 1ndd s ILE 61 Cb -0.01 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 1ndd s ILE 61 CO 0.85 0.33 0.07 0.18 0.00 0.00 0.00 174.94 176.37 1ndd n LEU 62 N 2.84 0.00 -4.74 2.97 4.77 -1.26 -4.83 117.00 116.74 1ndd n LEU 62 Ca 0.01 -3.27 -0.42 0.00 -0.03 0.00 0.00 56.01 52.30 1ndd n LEU 62 Cb 0.50 0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 42.27 1ndd n LEU 62 CO 0.50 -0.48 1.15 -0.83 -1.33 0.00 0.00 177.39 176.40 1ndd s GLY 63 N -3.75 2.14 0.00 -0.72 0.00 -1.26 -1.79 107.32 101.93 1ndd s GLY 63 Ca 0.10 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.20 1ndd s GLY 63 CO 0.07 2.39 0.00 0.61 0.00 0.00 0.00 173.10 176.18 1ndd n GLY 64 N 2.49 1.96 3.70 0.20 0.00 -0.10 -5.02 105.19 108.43 1ndd n GLY 64 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1ndd n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ndd n SER 65 N 0.00 2.78 -4.38 1.61 7.64 -0.74 -4.63 113.62 115.90 1ndd n SER 65 Ca 0.00 1.21 -0.35 0.00 1.01 0.00 0.00 58.87 60.73 1ndd n SER 65 Cb 0.00 -1.49 -0.13 0.00 -1.01 0.00 0.00 64.21 61.58 1ndd n SER 65 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ndd s VAL 66 N -1.10 3.74 0.13 0.44 1.01 -1.26 -1.34 120.40 122.02 1ndd s VAL 66 Ca 0.55 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1ndd s VAL 66 Cb -0.56 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ndd s VAL 66 CO 0.62 0.41 0.12 -0.76 0.00 0.00 0.00 175.10 175.49 1ndd s LEU 67 N 1.32 3.83 -0.15 3.92 1.43 0.54 -4.77 118.68 124.80 1ndd s LEU 67 Ca 0.04 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1ndd s LEU 67 Cb -0.15 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1ndd s LEU 67 CO 0.00 0.11 -0.11 -1.00 0.23 0.00 0.00 176.35 175.58 1ndd s HIS 68 N -1.61 2.86 -0.16 0.29 3.76 -0.03 -0.52 115.29 119.88 1ndd s HIS 68 Ca 0.30 -0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1ndd s HIS 68 Cb -0.11 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1ndd s HIS 68 CO 0.23 -0.30 0.04 -1.17 -0.85 0.00 0.00 174.74 172.68 1ndd s LEU 69 N 0.65 3.69 0.03 0.89 2.96 0.17 -0.48 118.68 126.58 1ndd s LEU 69 Ca -0.06 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1ndd s LEU 69 Cb -0.15 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1ndd s LEU 69 CO 0.02 0.21 -0.04 0.68 -1.32 0.00 0.00 176.35 175.90 1ndd s VAL 70 N 0.15 0.25 0.33 1.68 -7.23 -0.55 -4.42 120.40 110.60 1ndd s VAL 70 Ca 0.03 -0.91 -0.27 0.00 -1.81 0.00 0.00 61.98 59.03 1ndd s VAL 70 Cb -0.13 -0.36 -0.09 0.00 0.56 0.00 0.00 36.38 36.36 1ndd s VAL 70 CO 0.01 -0.43 1.00 -0.76 -0.31 0.00 0.00 175.10 174.61 1ndd s LEU 71 N -1.41 4.36 -0.33 1.32 1.43 -1.26 -1.29 118.68 121.51 1ndd s LEU 71 Ca -0.13 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.93 1ndd s LEU 71 Cb -0.09 -3.94 0.11 0.00 0.03 0.00 0.00 46.19 42.29 1ndd s LEU 71 CO -0.01 -0.16 0.13 0.00 0.23 0.00 0.00 176.35 176.55 1ndd s ALA 72 N -1.50 1.34 0.49 4.21 0.00 -0.14 -4.87 121.76 121.29 1ndd s ALA 72 Ca 0.50 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 1ndd s ALA 72 Cb -0.23 -1.60 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 1ndd s ALA 72 CO 0.29 -1.76 1.32 -0.51 0.00 0.00 0.00 175.76 175.10 1ndd s LEU 73 N 1.52 3.97 0.00 0.00 1.43 -1.26 -4.37 118.68 119.97 1ndd s LEU 73 Ca 0.11 2.68 0.11 0.00 -1.03 0.00 0.00 54.13 56.00 1ndd s LEU 73 Cb -0.18 -4.16 0.08 0.00 0.03 0.00 0.00 46.19 41.96 1ndd s LEU 73 CO -0.22 -1.27 0.84 0.54 0.23 0.00 0.00 176.35 176.46