#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhk s ILE 3 N 0.00 3.87 0.32 0.00 -1.09 -1.26 -1.17 121.20 121.86 1nhk s ILE 3 Ca 0.00 1.23 0.03 0.00 -2.23 0.00 0.00 60.65 59.69 1nhk s ILE 3 Cb 0.00 -3.79 -0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1nhk s ILE 3 CO 0.00 -0.00 0.07 -1.61 -1.23 0.00 0.00 174.94 172.16 1nhk s GLU 4 N 2.38 1.62 -0.01 2.79 2.02 0.34 -4.92 118.70 122.92 1nhk s GLU 4 Ca 0.61 -1.90 0.06 0.00 0.02 0.00 0.00 54.97 53.77 1nhk s GLU 4 Cb -0.29 -0.74 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 1nhk s GLU 4 CO 0.25 -0.22 -0.19 1.03 0.02 0.00 0.00 175.26 176.15 1nhk s ARG 5 N -3.91 1.50 0.05 1.61 0.52 -1.26 -1.50 118.95 115.96 1nhk s ARG 5 Ca 0.36 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1nhk s ARG 5 Cb 0.08 -1.46 -0.03 0.00 0.52 0.00 0.00 34.95 34.06 1nhk s ARG 5 CO 0.15 0.40 -0.01 -0.08 0.02 0.00 0.00 175.30 175.78 1nhk s THR 6 N -0.48 0.20 -0.03 0.02 -1.32 -0.16 -4.78 115.64 109.09 1nhk s THR 6 Ca 0.07 -1.67 -0.10 0.00 -1.21 0.00 0.00 61.69 58.78 1nhk s THR 6 Cb -0.07 -1.39 -0.05 0.00 -1.51 0.00 0.00 72.50 69.47 1nhk s THR 6 CO -0.00 -0.92 0.30 -0.22 -2.21 0.00 0.00 174.62 171.56 1nhk s LEU 7 N -2.78 4.42 -0.03 9.08 2.96 -1.26 -0.67 118.68 130.40 1nhk s LEU 7 Ca 0.05 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1nhk s LEU 7 Cb 0.06 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1nhk s LEU 7 CO -0.09 0.32 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.62 1nhk s SER 8 N -1.25 1.25 -0.08 3.68 0.15 -0.06 -1.73 113.70 115.67 1nhk s SER 8 Ca 0.23 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.70 1nhk s SER 8 Cb -0.14 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1nhk s SER 8 CO 0.11 0.07 -0.13 -0.63 1.20 0.00 0.00 173.24 173.87 1nhk s ILE 9 N 0.19 1.22 -0.37 6.45 1.01 -0.26 -0.29 121.20 129.15 1nhk s ILE 9 Ca -0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1nhk s ILE 9 Cb -0.09 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1nhk s ILE 9 CO 0.01 0.38 0.53 -0.63 0.00 0.00 0.00 174.94 175.22 1nhk s ILE 10 N 0.87 4.99 0.91 2.92 1.01 -0.01 -1.19 121.20 130.71 1nhk s ILE 10 Ca -0.10 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 1nhk s ILE 10 Cb -0.15 -4.01 0.14 0.00 0.01 0.00 0.00 42.46 38.44 1nhk s ILE 10 CO 0.01 -0.30 1.09 -0.54 0.00 0.00 0.00 174.94 175.20 1nhk s LYS 11 N 2.44 1.12 0.35 2.79 1.02 0.66 -1.94 119.74 126.18 1nhk s LYS 11 Ca 0.19 0.97 0.14 0.00 0.02 0.00 0.00 55.97 57.28 1nhk s LYS 11 Cb -0.15 -1.78 1.00 0.00 -0.52 0.00 0.00 37.83 36.38 1nhk s LYS 11 CO 0.14 -2.37 1.72 -1.35 -0.92 0.00 0.00 175.35 172.57 1nhk h PRO 12 N -1.65 0.45 0.00 -1.68 0.11 -1.86 0.90 132.00 128.26 1nhk h PRO 12 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1nhk h PRO 12 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1nhk h PRO 12 CO 0.52 0.30 -0.18 0.38 -0.21 0.00 0.00 178.00 178.80 1nhk h ASP 13 N 0.46 0.00 -0.49 -2.05 2.03 -1.90 -1.96 116.42 112.52 1nhk h ASP 13 Ca 0.66 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.87 1nhk h ASP 13 Cb 1.45 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.94 1nhk h ASP 13 CO -0.47 0.18 -0.07 1.23 -1.03 0.00 0.00 179.24 179.09 1nhk h GLY 14 N 0.69 0.98 0.91 7.15 0.00 -1.05 -2.19 103.07 109.55 1nhk h GLY 14 Ca -0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.44 1nhk h GLY 14 CO 0.02 0.71 -0.31 1.41 0.00 0.00 0.00 176.54 178.38 1nhk h LEU 15 N 0.76 0.65 -1.97 3.11 4.07 -1.49 -2.77 115.31 117.67 1nhk h LEU 15 Ca 0.13 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 1nhk h LEU 15 Cb 0.61 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 1nhk h LEU 15 CO 0.04 1.03 -0.04 -0.33 -1.08 0.00 0.00 178.44 178.06 1nhk h GLU 16 N 0.28 0.00 -0.00 1.13 5.08 -1.31 -0.05 114.58 119.71 1nhk h GLU 16 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1nhk h GLU 16 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1nhk h GLU 16 CO 0.07 0.04 -0.12 1.63 -1.00 0.00 0.00 179.01 179.63 1nhk n LYS 17 N -4.41 0.73 -2.83 2.33 5.02 -0.83 -4.94 118.16 113.23 1nhk n LYS 17 Ca -0.03 -0.28 -0.16 0.00 -2.02 0.00 0.00 58.31 55.82 1nhk n LYS 17 Cb 0.12 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1nhk n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nhk n GLY 18 N 1.28 -0.16 0.89 0.72 0.00 -0.03 -4.95 105.19 102.94 1nhk n GLY 18 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1nhk n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nhk n VAL 19 N -4.15 2.38 -0.08 1.61 0.24 -1.05 -4.74 118.33 112.54 1nhk n VAL 19 Ca -0.07 -2.70 -0.07 0.00 -2.04 0.00 0.00 64.34 59.46 1nhk n VAL 19 Cb 0.58 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.66 1nhk n VAL 19 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1nhk h ILE 20 N 1.00 0.75 -0.48 1.34 2.04 -1.90 -1.94 117.51 118.32 1nhk h ILE 20 Ca 0.12 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1nhk h ILE 20 Cb 1.42 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1nhk h ILE 20 CO 0.24 0.01 0.29 1.23 0.00 0.00 0.00 178.15 179.92 1nhk h GLY 21 N 0.04 0.69 0.84 5.37 0.00 -1.97 -1.59 103.07 106.45 1nhk h GLY 21 Ca 0.14 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.22 1nhk h GLY 21 CO -0.27 0.27 0.38 0.50 0.00 0.00 0.00 176.54 177.43 1nhk h LYS 22 N 0.64 0.72 -0.17 4.80 1.79 -1.83 0.02 116.57 122.55 1nhk h LYS 22 Ca 0.17 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1nhk h LYS 22 Cb -0.02 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 1nhk h LYS 22 CO -0.03 0.48 0.01 0.82 -1.08 0.00 0.00 179.45 179.65 1nhk h ILE 23 N 0.74 1.24 -0.97 1.86 2.04 -1.13 -1.98 117.51 119.31 1nhk h ILE 23 Ca 0.26 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1nhk h ILE 23 Cb 0.05 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1nhk h ILE 23 CO -0.12 0.24 0.64 0.40 0.00 0.00 0.00 178.15 179.31 1nhk h ILE 24 N 0.06 1.24 -0.74 -0.67 2.04 -1.07 -1.52 117.51 116.85 1nhk h ILE 24 Ca 0.05 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1nhk h ILE 24 Cb 0.35 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1nhk h ILE 24 CO 0.01 0.24 0.43 0.28 0.00 0.00 0.00 178.15 179.10 1nhk h SER 25 N 1.30 0.89 -0.97 1.72 0.02 -0.80 -0.99 113.55 114.72 1nhk h SER 25 Ca 0.36 -0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.36 1nhk h SER 25 Cb -0.13 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.11 1nhk h SER 25 CO -0.08 0.70 0.60 0.03 -1.14 0.00 0.00 176.83 176.94 1nhk h ARG 26 N 1.02 0.95 -0.02 3.45 2.47 -0.50 -0.32 114.38 121.44 1nhk h ARG 26 Ca 0.26 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 1nhk h ARG 26 Cb -0.02 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.09 1nhk h ARG 26 CO -0.05 0.63 -0.09 0.74 0.56 0.00 0.00 179.97 181.76 1nhk h PHE 27 N 0.98 0.13 -0.69 3.04 0.04 -1.15 -3.11 116.94 116.18 1nhk h PHE 27 Ca 0.47 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 61.24 1nhk h PHE 27 Cb 0.42 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 1nhk h PHE 27 CO -0.01 0.74 0.40 0.93 -0.60 0.00 0.00 178.31 179.77 1nhk h GLU 28 N -0.52 0.73 0.00 1.51 5.08 -0.88 -0.35 114.58 120.14 1nhk h GLU 28 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1nhk h GLU 28 Cb 0.75 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nhk h GLU 28 CO 0.02 0.48 -0.04 1.05 -1.00 0.00 0.00 179.01 179.52 1nhk h GLU 29 N 0.75 0.00 -0.21 2.33 4.11 -1.15 -2.08 114.58 118.33 1nhk h GLU 29 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1nhk h GLU 29 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1nhk h GLU 29 CO -0.16 0.04 0.00 1.63 0.07 0.00 0.00 179.01 180.59 1nhk n LYS 30 N -3.23 2.16 -0.70 1.06 4.76 -0.43 -4.94 118.16 116.84 1nhk n LYS 30 Ca -0.01 -1.72 0.00 0.00 -2.87 0.00 0.00 58.31 53.71 1nhk n LYS 30 Cb 0.24 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1nhk n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nhk n GLY 31 N 1.33 0.63 3.42 0.72 0.00 -0.78 -5.01 105.19 105.50 1nhk n GLY 31 Ca 0.17 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1nhk n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nhk s LEU 32 N 0.00 5.25 -0.21 0.99 1.43 -0.27 -4.61 118.68 121.26 1nhk s LEU 32 Ca 0.00 -1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 51.77 1nhk s LEU 32 Cb 0.00 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1nhk s LEU 32 CO 0.00 -0.75 0.85 -0.75 0.23 0.00 0.00 176.35 175.94 1nhk s LYS 33 N 2.13 4.23 -0.32 1.70 2.20 -0.17 -3.34 119.74 126.18 1nhk s LYS 33 Ca 0.10 1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 56.43 1nhk s LYS 33 Cb -0.21 -3.62 -0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1nhk s LYS 33 CO 0.10 -0.46 1.45 -2.14 -0.36 0.00 0.00 175.35 173.93 1nhk s PRO 34 N 2.63 3.74 0.00 4.03 0.02 -1.26 -0.65 135.00 143.51 1nhk s PRO 34 Ca 0.37 1.27 0.17 0.00 0.02 0.00 0.00 61.00 62.83 1nhk s PRO 34 Cb -0.16 -3.98 0.10 0.00 0.02 0.00 0.00 34.50 30.48 1nhk s PRO 34 CO 0.09 -1.35 0.99 1.33 -0.33 0.00 0.00 177.00 177.73 1nhk n VAL 35 N 6.61 0.00 -3.65 3.83 0.24 0.16 -4.93 118.33 120.58 1nhk n VAL 35 Ca 0.17 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 1nhk n VAL 35 Cb 0.47 1.31 -0.08 0.00 -1.47 0.00 0.00 33.84 34.07 1nhk n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nhk s ALA 36 N -1.56 -1.63 -0.13 2.33 0.00 -1.21 -0.26 121.76 119.30 1nhk s ALA 36 Ca 0.18 1.96 -0.09 0.00 0.00 0.00 0.00 51.96 54.01 1nhk s ALA 36 Cb 0.14 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 22.16 1nhk s ALA 36 CO 0.27 -0.32 0.32 0.42 0.00 0.00 0.00 175.76 176.45 1nhk s ILE 37 N 0.77 -0.02 -0.25 0.00 1.01 -1.26 -1.20 121.20 120.26 1nhk s ILE 37 Ca -0.03 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1nhk s ILE 37 Cb -0.05 -0.48 0.11 0.00 0.01 0.00 0.00 42.46 42.05 1nhk s ILE 37 CO -0.06 0.03 0.55 -0.60 0.00 0.00 0.00 174.94 174.86 1nhk s ARG 38 N 0.82 0.49 0.01 2.79 3.52 -0.06 -4.99 118.95 121.53 1nhk s ARG 38 Ca -0.05 1.23 -0.27 0.00 -0.13 0.00 0.00 55.73 56.51 1nhk s ARG 38 Cb -0.06 0.54 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 1nhk s ARG 38 CO -0.06 -0.21 0.84 -1.17 -0.81 0.00 0.00 175.30 173.89 1nhk s LEU 39 N 2.56 4.40 0.01 -0.88 0.20 -1.26 -0.55 118.68 123.15 1nhk s LEU 39 Ca -0.05 1.49 -0.16 0.00 0.69 0.00 0.00 54.13 56.10 1nhk s LEU 39 Cb -0.11 -3.34 0.03 0.00 -0.43 0.00 0.00 46.19 42.33 1nhk s LEU 39 CO -0.16 -0.11 0.34 -1.58 -0.29 0.00 0.00 176.35 174.54 1nhk s GLN 40 N 0.49 0.76 -0.35 1.98 0.74 -0.31 -4.97 119.66 118.00 1nhk s GLN 40 Ca 0.43 -0.29 -0.09 0.00 0.05 0.00 0.00 55.36 55.46 1nhk s GLN 40 Cb -0.20 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.26 1nhk s GLN 40 CO 0.24 -0.23 0.16 -1.58 -0.55 0.00 0.00 175.29 173.33 1nhk s HIS 41 N -1.83 3.22 0.41 1.67 5.65 -1.26 -0.75 115.29 122.40 1nhk s HIS 41 Ca -0.10 -1.02 -0.25 0.00 0.25 0.00 0.00 55.06 53.94 1nhk s HIS 41 Cb -0.03 -2.36 -0.08 0.00 -1.18 0.00 0.00 32.58 28.92 1nhk s HIS 41 CO 0.01 -0.63 1.20 -0.51 -0.65 0.00 0.00 174.74 174.17 1nhk s LEU 42 N 1.52 4.19 0.46 8.88 1.43 -1.26 -5.04 118.68 128.86 1nhk s LEU 42 Ca 0.02 2.42 -0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1nhk s LEU 42 Cb -0.19 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.02 1nhk s LEU 42 CO 0.05 -0.74 0.70 -0.94 0.23 0.00 0.00 176.35 175.65 1nhk s SER 43 N -1.05 5.85 0.25 2.29 1.04 -1.26 -4.67 113.70 116.16 1nhk s SER 43 Ca 0.57 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 1nhk s SER 43 Cb -0.32 -1.63 0.38 0.00 0.10 0.00 0.00 66.02 64.55 1nhk s SER 43 CO 0.41 -0.72 1.83 -0.61 0.98 0.00 0.00 173.24 175.14 1nhk h GLN 44 N 0.33 0.88 -0.64 4.02 4.15 -1.96 -1.73 115.11 120.17 1nhk h GLN 44 Ca -0.46 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 58.85 1nhk h GLN 44 Cb 1.25 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 1nhk h GLN 44 CO 0.58 0.58 0.19 0.00 -1.93 0.00 0.00 178.83 178.25 1nhk h ALA 45 N 1.44 1.14 -0.28 3.38 0.00 -1.99 -1.10 119.26 121.85 1nhk h ALA 45 Ca 0.40 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1nhk h ALA 45 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nhk h ALA 45 CO -0.21 0.59 -0.03 1.96 0.00 0.00 0.00 179.25 181.56 1nhk h GLN 46 N 0.94 0.51 -0.40 0.00 4.20 -1.76 -1.51 115.11 117.09 1nhk h GLN 46 Ca 0.21 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1nhk h GLN 46 Cb 0.28 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1nhk h GLN 46 CO -0.01 0.70 0.08 0.00 -0.67 0.00 0.00 178.83 178.93 1nhk h ALA 47 N 0.80 0.53 -0.73 3.87 0.00 -1.17 -0.68 119.26 121.88 1nhk h ALA 47 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1nhk h ALA 47 Cb 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nhk h ALA 47 CO 0.02 0.22 0.34 0.93 0.00 0.00 0.00 179.25 180.76 1nhk h GLU 48 N 0.50 1.06 -0.45 0.00 5.08 -1.20 -0.64 114.58 118.93 1nhk h GLU 48 Ca 0.12 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1nhk h GLU 48 Cb 0.34 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1nhk h GLU 48 CO 0.00 0.83 -0.18 0.78 -1.00 0.00 0.00 179.01 179.45 1nhk h GLY 49 N 1.03 0.94 1.11 -3.84 0.00 -1.09 -1.72 103.07 99.50 1nhk h GLY 49 Ca 0.25 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1nhk h GLY 49 CO -0.03 0.72 -0.25 -2.75 0.00 0.00 0.00 176.54 174.23 1nhk h PHE 50 N 0.77 1.14 -0.87 5.60 3.57 -0.78 -3.16 116.94 123.19 1nhk h PHE 50 Ca 0.11 -0.29 -0.40 0.00 3.53 0.00 0.00 57.97 60.92 1nhk h PHE 50 Cb 0.71 -0.26 -0.24 0.00 2.79 0.00 0.00 35.95 38.96 1nhk h PHE 50 CO 0.04 1.12 0.49 0.66 -2.23 0.00 0.00 178.31 178.39 1nhk n TYR 51 N -4.11 2.75 -0.35 0.41 4.01 -0.28 -4.71 117.16 114.88 1nhk n TYR 51 Ca -0.01 -1.63 0.12 0.00 -0.16 0.00 0.00 57.90 56.23 1nhk n TYR 51 Cb 0.48 -0.84 0.31 0.00 -0.31 0.00 0.00 39.34 38.98 1nhk n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nhk h ALA 52 N 1.51 1.62 -0.42 -0.72 0.00 -1.28 -1.06 119.26 118.92 1nhk h ALA 52 Ca 0.49 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.61 1nhk h ALA 52 Cb 2.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 20.33 1nhk h ALA 52 CO 0.94 -0.06 0.41 0.28 0.00 0.00 0.00 179.25 180.83 1nhk h VAL 53 N 0.74 0.45 -0.66 0.00 2.07 -1.88 0.73 116.25 117.70 1nhk h VAL 53 Ca 0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.09 1nhk h VAL 53 Cb 0.88 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1nhk h VAL 53 CO -0.38 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.62 1nhk n HIS 54 N -3.85 1.36 0.27 1.57 -0.00 -0.40 -4.49 115.22 109.67 1nhk n HIS 54 Ca 0.07 -0.59 0.10 0.00 -0.00 0.00 0.00 57.72 57.31 1nhk n HIS 54 Cb 0.60 -0.19 0.71 0.00 -0.00 0.00 0.00 29.99 31.11 1nhk n HIS 54 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1nhk h LYS 55 N 4.08 0.00 -0.34 -0.41 2.10 -0.91 0.17 116.57 121.26 1nhk h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nhk h LYS 55 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1nhk h LYS 55 CO 0.18 0.03 0.00 0.00 -2.00 0.00 0.00 179.45 177.66 1nhk n ALA 56 N -2.46 2.49 -2.62 0.07 0.00 -1.26 -4.87 120.51 111.86 1nhk n ALA 56 Ca -0.03 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 1nhk n ALA 56 Cb 0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1nhk n ALA 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nhk s ARG 57 N -1.60 3.67 0.47 0.00 3.00 0.05 -5.00 118.95 119.54 1nhk s ARG 57 Ca 0.21 0.02 0.31 0.00 0.00 0.00 0.00 55.73 56.26 1nhk s ARG 57 Cb 0.11 -2.86 1.25 0.00 0.00 0.00 0.00 34.95 33.45 1nhk s ARG 57 CO 0.13 0.47 1.91 -1.00 0.00 0.00 0.00 175.30 176.81 1nhk h PRO 58 N 3.01 0.00 -0.00 3.54 0.13 -1.89 -3.01 132.00 133.77 1nhk h PRO 58 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nhk h PRO 58 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nhk h PRO 58 CO 0.71 0.00 -0.59 1.97 -0.23 0.00 0.00 178.00 179.85 1nhk n PHE 59 N -2.86 0.00 -0.26 1.56 1.16 -1.26 -4.52 117.46 111.28 1nhk n PHE 59 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.58 1nhk n PHE 59 Cb 0.29 -0.14 0.06 0.00 -1.61 0.00 0.00 39.48 38.08 1nhk n PHE 59 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nhk h PHE 60 N 0.45 -0.66 -0.64 2.97 3.57 -1.73 0.15 116.94 121.05 1nhk h PHE 60 Ca 0.00 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1nhk h PHE 60 Cb 0.53 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1nhk h PHE 60 CO 0.00 -0.36 0.36 -0.22 -2.23 0.00 0.00 178.31 175.86 1nhk h LYS 61 N -0.06 0.66 -0.15 1.11 3.64 -1.82 -1.32 116.57 118.62 1nhk h LYS 61 Ca 0.32 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1nhk h LYS 61 Cb 0.57 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1nhk h LYS 61 CO -0.78 0.43 -0.50 -0.44 -2.27 0.00 0.00 179.45 175.89 1nhk h ASP 62 N 0.68 0.45 -0.01 4.20 3.32 -1.45 -2.55 116.42 121.06 1nhk h ASP 62 Ca 0.28 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1nhk h ASP 62 Cb 0.15 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1nhk h ASP 62 CO -0.17 0.88 -0.08 0.25 -1.72 0.00 0.00 179.24 178.41 1nhk h LEU 63 N 0.33 -0.22 -0.38 1.55 5.85 -0.20 -1.38 115.31 120.85 1nhk h LEU 63 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1nhk h LEU 63 Cb 1.00 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1nhk h LEU 63 CO 0.09 -0.11 0.25 0.58 -0.34 0.00 0.00 178.44 178.91 1nhk h VAL 64 N -0.13 1.10 -0.86 1.05 2.07 -1.20 0.31 116.25 118.59 1nhk h VAL 64 Ca 0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1nhk h VAL 64 Cb 0.17 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1nhk h VAL 64 CO -0.09 0.10 0.52 1.56 0.02 0.00 0.00 177.57 179.68 1nhk h GLN 65 N 0.52 1.18 -0.37 1.57 1.08 -1.23 -1.81 115.11 116.04 1nhk h GLN 65 Ca 0.14 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1nhk h GLN 65 Cb -0.06 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.12 1nhk h GLN 65 CO -0.03 0.83 -0.18 0.35 -0.95 0.00 0.00 178.83 178.86 1nhk h PHE 66 N 1.19 0.89 0.00 2.96 3.57 -0.94 -1.89 116.94 122.72 1nhk h PHE 66 Ca 0.31 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1nhk h PHE 66 Cb -0.04 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1nhk h PHE 66 CO 0.00 0.96 0.00 -1.33 -2.23 0.00 0.00 178.31 175.71 1nhk n MET 67 N -4.29 0.13 -0.04 1.11 2.81 0.07 -1.93 117.12 114.99 1nhk n MET 67 Ca -0.02 0.45 0.03 0.00 -1.81 0.00 0.00 57.70 56.34 1nhk n MET 67 Cb 0.41 -1.79 0.05 0.00 -0.71 0.00 0.00 33.22 31.17 1nhk n MET 67 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1nhk n ILE 68 N -2.04 0.47 0.27 2.02 -5.35 -0.73 -4.56 119.36 109.44 1nhk n ILE 68 Ca 0.01 -0.74 0.17 0.00 -0.27 0.00 0.00 62.75 61.92 1nhk n ILE 68 Cb 0.15 0.82 0.61 0.00 -1.74 0.00 0.00 39.64 39.48 1nhk n ILE 68 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1nhk h SER 69 N 0.99 0.00 -5.14 7.28 4.64 -0.65 -3.47 113.55 117.20 1nhk h SER 69 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1nhk h SER 69 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1nhk h SER 69 CO 0.00 0.00 0.37 -0.83 -0.87 0.00 0.00 176.83 175.50 1nhk s GLY 70 N -4.18 0.12 0.78 -0.77 0.00 -1.26 -5.11 107.32 96.90 1nhk s GLY 70 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 1nhk s GLY 70 CO 0.56 0.38 1.08 2.56 0.00 0.00 0.00 173.10 177.68 1nhk s PRO 71 N -2.78 2.19 0.23 2.90 0.04 -1.26 -4.62 135.00 131.70 1nhk s PRO 71 Ca 0.15 0.90 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1nhk s PRO 71 Cb -0.04 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1nhk s PRO 71 CO 0.08 -1.61 -0.00 0.14 0.04 0.00 0.00 177.00 175.64 1nhk s VAL 72 N -3.01 1.02 -0.26 -0.36 -7.23 0.07 -3.97 120.40 106.66 1nhk s VAL 72 Ca 0.61 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1nhk s VAL 72 Cb -0.16 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1nhk s VAL 72 CO 0.55 -0.33 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.32 1nhk s VAL 73 N -3.43 3.30 -0.02 1.32 1.01 -0.82 -1.16 120.40 120.60 1nhk s VAL 73 Ca 0.28 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1nhk s VAL 73 Cb 0.06 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1nhk s VAL 73 CO 0.09 0.18 0.52 -0.76 0.00 0.00 0.00 175.10 175.12 1nhk s LEU 74 N 1.40 4.41 0.02 3.92 1.43 0.29 -0.83 118.68 129.31 1nhk s LEU 74 Ca 0.01 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.09 1nhk s LEU 74 Cb -0.17 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.26 1nhk s LEU 74 CO -0.02 0.15 0.14 -0.04 0.23 0.00 0.00 176.35 176.81 1nhk s MET 75 N -0.29 0.55 -0.15 1.70 -1.94 0.60 -0.88 119.30 118.89 1nhk s MET 75 Ca 0.28 -0.54 -0.00 0.00 -1.71 0.00 0.00 55.69 53.72 1nhk s MET 75 Cb -0.17 0.23 -0.00 0.00 2.01 0.00 0.00 34.83 36.89 1nhk s MET 75 CO 0.15 -0.14 -0.14 0.08 -0.01 0.00 0.00 175.02 174.96 1nhk s VAL 76 N -1.94 2.77 -0.07 -6.03 1.01 -0.34 -0.88 120.40 114.92 1nhk s VAL 76 Ca -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1nhk s VAL 76 Cb -0.05 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1nhk s VAL 76 CO -0.01 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 174.86 1nhk s LEU 77 N 0.77 3.65 -0.03 3.92 1.43 0.16 -0.67 118.68 127.91 1nhk s LEU 77 Ca -0.06 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1nhk s LEU 77 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1nhk s LEU 77 CO 0.01 0.36 -0.18 -0.70 0.23 0.00 0.00 176.35 176.07 1nhk s GLU 78 N -1.02 1.63 0.00 1.70 2.12 0.17 -0.99 118.70 122.31 1nhk s GLU 78 Ca 0.15 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1nhk s GLU 78 Cb -0.11 -1.51 0.00 0.00 0.26 0.00 0.00 34.13 32.77 1nhk s GLU 78 CO 0.04 0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 1nhk n GLY 79 N 2.81 0.29 3.68 -1.50 0.00 -0.56 -0.99 105.19 108.91 1nhk n GLY 79 Ca -0.16 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1nhk n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nhk s GLU 80 N -2.00 4.18 -1.54 1.61 0.41 -1.26 -0.50 118.70 119.60 1nhk s GLU 80 Ca 0.00 2.36 -0.13 0.00 -0.41 0.00 0.00 54.97 56.80 1nhk s GLU 80 Cb 0.00 -3.75 0.09 0.00 -1.78 0.00 0.00 34.13 28.69 1nhk s GLU 80 CO 0.00 -0.79 0.89 0.09 -0.49 0.00 0.00 175.26 174.95 1nhk n ASN 81 N 6.17 -3.89 -0.33 -0.19 3.02 -0.32 -4.83 115.26 114.89 1nhk n ASN 81 Ca 0.17 -0.84 0.05 0.00 -0.03 0.00 0.00 54.58 53.92 1nhk n ASN 81 Cb 0.41 -3.64 0.20 0.00 -0.61 0.00 0.00 39.78 36.14 1nhk n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nhk h ALA 82 N 0.94 1.34 -0.24 5.41 0.00 -1.75 -0.81 119.26 124.15 1nhk h ALA 82 Ca -0.59 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1nhk h ALA 82 Cb 1.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1nhk h ALA 82 CO 0.68 0.18 0.05 0.28 0.00 0.00 0.00 179.25 180.44 1nhk h VAL 83 N 0.91 0.89 -0.17 0.00 2.07 -1.88 0.40 116.25 118.48 1nhk h VAL 83 Ca 0.44 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.78 1nhk h VAL 83 Cb 0.40 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1nhk h VAL 83 CO -0.25 0.03 -0.41 0.25 0.02 0.00 0.00 177.57 177.20 1nhk h LEU 84 N 0.14 0.65 -0.86 2.57 5.85 -1.85 -2.80 115.31 119.01 1nhk h LEU 84 Ca 0.11 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1nhk h LEU 84 Cb 0.10 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1nhk h LEU 84 CO -0.14 1.11 0.55 0.00 -0.34 0.00 0.00 178.44 179.62 1nhk h ALA 85 N 0.56 1.15 -0.25 1.25 0.00 -1.02 -1.20 119.26 119.75 1nhk h ALA 85 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nhk h ALA 85 Cb 1.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nhk h ALA 85 CO 0.09 0.36 0.15 -0.97 0.00 0.00 0.00 179.25 178.89 1nhk h ASN 86 N 1.05 0.26 -0.40 0.00 -0.00 -0.90 -1.58 115.58 114.01 1nhk h ASN 86 Ca 0.36 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.63 1nhk h ASN 86 Cb 0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.30 1nhk h ASN 86 CO -0.13 0.19 0.18 0.03 -0.00 0.00 0.00 177.43 177.70 1nhk h ARG 87 N 0.32 0.63 -0.25 6.67 3.08 -1.12 -0.83 114.38 122.88 1nhk h ARG 87 Ca 0.09 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1nhk h ARG 87 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1nhk h ARG 87 CO -0.03 0.52 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.94 1nhk h ASP 88 N 0.63 0.43 -0.53 7.04 3.32 -0.73 -1.85 116.42 124.73 1nhk h ASP 88 Ca 0.15 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1nhk h ASP 88 Cb 0.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1nhk h ASP 88 CO -0.02 0.64 0.04 0.40 -1.72 0.00 0.00 179.24 178.58 1nhk h ILE 89 N 0.22 1.25 -0.42 0.35 2.04 -0.92 -3.05 117.51 116.98 1nhk h ILE 89 Ca 0.07 -1.04 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 1nhk h ILE 89 Cb 0.42 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1nhk h ILE 89 CO 0.01 0.38 -0.28 0.24 0.00 0.00 0.00 178.15 178.49 1nhk h MET 90 N 0.88 0.93 0.00 2.37 2.86 -1.11 -0.16 114.93 120.70 1nhk h MET 90 Ca 0.17 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1nhk h MET 90 Cb 0.46 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1nhk h MET 90 CO 0.02 1.10 0.00 0.41 1.06 0.00 0.00 176.91 179.50 1nhk n GLY 91 N 0.02 -0.69 3.66 8.32 0.00 -0.70 -1.63 105.19 114.16 1nhk n GLY 91 Ca -0.01 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1nhk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nhk n ALA 92 N -0.42 0.75 -0.27 4.61 0.00 -1.26 -4.88 120.51 119.04 1nhk n ALA 92 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1nhk n ALA 92 Cb 0.00 -2.18 0.38 0.00 0.00 0.00 0.00 19.45 17.65 1nhk n ALA 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nhk h THR 93 N 1.69 0.83 -3.58 0.00 2.02 -1.96 -3.32 112.91 108.59 1nhk h THR 93 Ca -0.47 -0.24 -0.65 0.00 0.77 0.00 0.00 66.41 65.82 1nhk h THR 93 Cb 1.32 0.09 -0.15 0.00 -1.74 0.00 0.00 68.15 67.66 1nhk h THR 93 CO 0.58 0.13 0.08 0.21 0.37 0.00 0.00 175.52 176.89 1nhk s ASN 94 N -5.78 6.33 0.45 4.18 3.84 -1.26 -4.69 114.94 118.01 1nhk s ASN 94 Ca -0.10 -0.27 0.25 0.00 0.21 0.00 0.00 52.86 52.95 1nhk s ASN 94 Cb 0.22 -2.31 1.27 0.00 -0.55 0.00 0.00 41.25 39.88 1nhk s ASN 94 CO 0.79 -0.71 1.78 -0.65 -2.79 0.00 0.00 177.10 175.52 1nhk h PRO 95 N 8.77 0.24 -0.92 0.43 0.11 -1.83 0.12 132.00 138.92 1nhk h PRO 95 Ca -0.26 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1nhk h PRO 95 Cb 1.10 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1nhk h PRO 95 CO 0.87 0.16 0.57 0.00 -0.21 0.00 0.00 178.00 179.38 1nhk h ALA 96 N 1.55 1.27 -0.00 -0.75 0.00 -1.91 -1.67 119.26 117.75 1nhk h ALA 96 Ca 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1nhk h ALA 96 Cb 1.79 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1nhk h ALA 96 CO -0.20 0.64 -0.19 1.04 0.00 0.00 0.00 179.25 180.53 1nhk n GLN 97 N -4.37 0.61 -2.15 0.00 6.02 0.39 -4.93 117.38 112.94 1nhk n GLN 97 Ca 0.10 -0.27 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1nhk n GLN 97 Cb 0.05 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 1nhk n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nhk s ALA 98 N -2.58 3.51 0.78 -1.58 0.00 -0.63 -4.66 121.76 116.60 1nhk s ALA 98 Ca 0.24 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 1nhk s ALA 98 Cb 0.19 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1nhk s ALA 98 CO 0.52 -0.59 1.09 0.00 0.00 0.00 0.00 175.76 176.77 1nhk s ALA 99 N -0.83 2.21 0.49 0.00 0.00 -1.26 -4.78 121.76 117.59 1nhk s ALA 99 Ca 0.51 0.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 1nhk s ALA 99 Cb -0.39 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1nhk s ALA 99 CO 0.49 -1.78 1.35 -1.83 0.00 0.00 0.00 175.76 173.98 1nhk s GLU 100 N -4.93 3.50 0.00 0.00 4.04 -1.26 -2.69 118.70 117.36 1nhk s GLU 100 Ca 0.61 2.22 0.00 0.00 0.04 0.00 0.00 54.97 57.84 1nhk s GLU 100 Cb -0.17 -2.47 0.00 0.00 0.02 0.00 0.00 34.13 31.51 1nhk s GLU 100 CO 0.56 -0.90 0.00 0.41 -1.84 0.00 0.00 175.26 173.49 1nhk n GLY 101 N 0.64 1.68 3.90 -3.83 0.00 -1.26 -5.01 105.19 101.31 1nhk n GLY 101 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1nhk n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nhk s THR 102 N -3.51 4.35 0.15 2.61 -4.23 -1.10 -4.93 115.64 108.98 1nhk s THR 102 Ca 0.00 0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1nhk s THR 102 Cb 0.00 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 1nhk s THR 102 CO 0.00 -0.79 1.80 0.40 -0.54 0.00 0.00 174.62 175.49 1nhk h ILE 103 N -0.12 1.06 -0.28 2.99 2.04 -1.03 -1.73 117.51 120.44 1nhk h ILE 103 Ca -0.46 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1nhk h ILE 103 Cb 1.22 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1nhk h ILE 103 CO 0.62 0.08 -0.14 0.03 0.00 0.00 0.00 178.15 178.74 1nhk h ARG 104 N 0.45 0.49 -0.24 2.37 3.08 -1.56 0.19 114.38 119.16 1nhk h ARG 104 Ca 0.14 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1nhk h ARG 104 Cb -0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1nhk h ARG 104 CO -0.05 0.62 -0.53 -0.22 -1.07 0.00 0.00 179.97 178.72 1nhk h LYS 105 N 0.45 0.69 0.00 0.04 1.63 -1.74 -1.61 116.57 116.03 1nhk h LYS 105 Ca 0.08 -0.42 -0.17 0.00 -0.85 0.00 0.00 60.65 59.29 1nhk h LYS 105 Cb 0.51 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 1nhk h LYS 105 CO 0.03 1.04 -1.00 -0.44 -3.45 0.00 0.00 179.45 175.64 1nhk h ASP 106 N 0.53 0.00 0.00 4.20 3.32 -0.95 -3.42 116.42 120.10 1nhk h ASP 106 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nhk h ASP 106 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1nhk h ASP 106 CO 0.11 0.70 -0.83 0.49 -1.72 0.00 0.00 179.24 177.99 1nhk n PHE 107 N -3.15 0.00 -2.32 4.55 3.72 0.63 -5.08 117.46 115.81 1nhk n PHE 107 Ca -0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.02 1nhk n PHE 107 Cb 0.85 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.38 1nhk n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nhk s ALA 108 N -1.78 2.76 -0.21 4.37 0.00 -0.61 -4.90 121.76 121.40 1nhk s ALA 108 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1nhk s ALA 108 Cb 0.00 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 1nhk s ALA 108 CO 0.00 -0.61 -0.19 0.25 0.00 0.00 0.00 175.76 175.21 1nhk n THR 109 N -1.32 1.17 -4.03 0.00 -2.24 -0.84 -4.88 114.28 102.14 1nhk n THR 109 Ca 0.10 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1nhk n THR 109 Cb 0.52 -1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1nhk n THR 109 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nhk s SER 110 N -6.08 0.61 0.38 3.42 1.04 -1.11 -4.99 113.70 106.98 1nhk s SER 110 Ca -0.28 -1.35 0.12 0.00 0.48 0.00 0.00 55.95 54.92 1nhk s SER 110 Cb 0.08 0.68 0.77 0.00 0.10 0.00 0.00 66.02 67.64 1nhk s SER 110 CO 0.46 -1.33 1.87 -0.29 0.98 0.00 0.00 173.24 174.93 1nhk h ILE 111 N 2.12 1.22 0.24 -1.02 2.10 -1.96 -2.55 117.51 117.67 1nhk h ILE 111 Ca -0.29 -1.06 -0.32 0.00 1.08 0.00 0.00 64.86 64.28 1nhk h ILE 111 Cb 1.24 1.52 0.04 0.00 -1.09 0.00 0.00 36.82 38.53 1nhk h ILE 111 CO 0.39 0.31 -1.39 -2.24 -1.08 0.00 0.00 178.15 174.13 1nhk h ASP 112 N 0.06 0.79 -2.82 2.19 2.03 -1.96 -3.35 116.42 113.37 1nhk h ASP 112 Ca 0.01 -0.93 -0.77 0.00 -0.73 0.00 0.00 57.03 54.61 1nhk h ASP 112 Cb 0.54 -0.26 -0.31 0.00 -0.83 0.00 0.00 39.33 38.48 1nhk h ASP 112 CO 0.04 1.67 0.51 0.29 -1.03 0.00 0.00 179.24 180.73 1nhk n LYS 113 N -3.78 4.08 -0.95 4.15 5.02 -1.05 -4.82 118.16 120.81 1nhk n LYS 113 Ca -0.17 -4.58 -0.03 0.00 -2.02 0.00 0.00 58.31 51.52 1nhk n LYS 113 Cb 1.07 -2.47 0.31 0.00 -0.02 0.00 0.00 35.03 33.92 1nhk n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1nhk n ASN 114 N 1.30 4.88 0.00 4.39 6.94 -0.99 -1.98 115.26 129.81 1nhk n ASN 114 Ca 0.27 -3.08 0.00 0.00 -0.02 0.00 0.00 54.58 51.74 1nhk n ASN 114 Cb 0.35 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 1nhk n ASN 114 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1nhk n THR 115 N 0.05 0.00 -4.07 5.53 -1.04 -1.26 -4.77 114.28 108.72 1nhk n THR 115 Ca 0.36 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.29 1nhk n THR 115 Cb 1.29 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.71 1nhk n THR 115 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1nhk s VAL 116 N 0.00 0.18 0.04 12.58 -7.23 -1.26 -0.24 120.40 124.47 1nhk s VAL 116 Ca 0.00 -1.75 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1nhk s VAL 116 Cb 0.00 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1nhk s VAL 116 CO 0.00 -0.82 -0.13 -2.28 -0.31 0.00 0.00 175.10 171.56 1nhk s HIS 117 N -3.94 1.15 -0.04 2.82 2.46 -0.33 -4.91 115.29 112.49 1nhk s HIS 117 Ca 0.11 -0.36 -0.06 0.00 0.47 0.00 0.00 55.06 55.22 1nhk s HIS 117 Cb 0.07 -0.68 0.01 0.00 -0.13 0.00 0.00 32.58 31.85 1nhk s HIS 117 CO -0.07 0.02 0.15 0.20 -2.47 0.00 0.00 174.74 172.57 1nhk s GLY 118 N -1.15 -0.07 0.34 1.59 0.00 -1.26 -1.11 107.32 105.66 1nhk s GLY 118 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 1nhk s GLY 118 CO 0.01 0.18 1.37 1.44 0.00 0.00 0.00 173.10 176.10 1nhk n SER 119 N 2.55 3.07 0.08 1.64 7.64 -0.70 -4.91 113.62 122.99 1nhk n SER 119 Ca -0.15 1.20 0.13 0.00 1.01 0.00 0.00 58.87 61.06 1nhk n SER 119 Cb 0.58 -1.52 0.34 0.00 -1.01 0.00 0.00 64.21 62.60 1nhk n SER 119 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nhk n ASP 120 N 0.93 0.70 -3.85 6.43 5.68 -1.26 -4.86 116.55 120.32 1nhk n ASP 120 Ca 0.05 0.38 -0.09 0.00 -0.50 0.00 0.00 54.79 54.63 1nhk n ASP 120 Cb 0.36 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 1nhk n ASP 120 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nhk s SER 121 N -4.24 -0.21 0.19 -1.12 1.04 -1.26 -4.99 113.70 103.12 1nhk s SER 121 Ca 0.09 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 1nhk s SER 121 Cb 0.13 0.62 0.11 0.00 0.10 0.00 0.00 66.02 66.98 1nhk s SER 121 CO 0.64 -1.15 1.66 0.25 0.98 0.00 0.00 173.24 175.62 1nhk h LEU 122 N 2.17 1.02 -0.59 2.42 5.85 -1.96 -0.78 115.31 123.44 1nhk h LEU 122 Ca -0.26 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1nhk h LEU 122 Cb 1.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1nhk h LEU 122 CO 0.33 1.07 0.36 -0.33 -0.34 0.00 0.00 178.44 179.53 1nhk h GLU 123 N 0.96 0.80 -0.29 1.25 5.08 -1.99 -2.43 114.58 117.97 1nhk h GLU 123 Ca 0.17 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1nhk h GLU 123 Cb 0.54 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1nhk h GLU 123 CO 0.03 0.58 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.40 1nhk h ASN 124 N 0.80 0.62 -0.57 1.42 2.35 -1.92 -3.10 115.58 115.18 1nhk h ASN 124 Ca 0.21 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1nhk h ASN 124 Cb -0.02 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.12 1nhk h ASN 124 CO -0.04 0.89 0.27 0.00 -1.65 0.00 0.00 177.43 176.90 1nhk h ALA 125 N 1.15 0.74 -0.85 -0.83 0.00 -0.68 0.18 119.26 118.96 1nhk h ALA 125 Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1nhk h ALA 125 Cb 0.79 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1nhk h ALA 125 CO 0.06 -0.10 0.55 0.87 0.00 0.00 0.00 179.25 180.64 1nhk h LYS 126 N 0.50 1.05 -0.11 0.00 1.57 -1.39 0.45 116.57 118.64 1nhk h LYS 126 Ca 0.26 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1nhk h LYS 126 Cb 0.22 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nhk h LYS 126 CO -0.21 0.69 -0.21 0.82 -0.57 0.00 0.00 179.45 179.97 1nhk h ILE 127 N 1.08 1.38 -0.72 1.86 2.04 -1.32 -2.64 117.51 119.19 1nhk h ILE 127 Ca 0.34 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 1nhk h ILE 127 Cb -0.01 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1nhk h ILE 127 CO -0.11 0.43 0.25 -0.33 0.00 0.00 0.00 178.15 178.39 1nhk h GLU 128 N -0.09 1.10 -0.12 2.37 5.08 -0.38 -1.41 114.58 121.12 1nhk h GLU 128 Ca 0.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1nhk h GLU 128 Cb 0.80 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1nhk h GLU 128 CO 0.05 0.92 0.00 0.82 -1.00 0.00 0.00 179.01 179.79 1nhk h ILE 129 N 1.06 1.25 0.00 3.13 2.04 -0.98 -2.95 117.51 121.07 1nhk h ILE 129 Ca 0.24 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1nhk h ILE 129 Cb 0.26 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1nhk h ILE 129 CO -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.28 1nhk h ALA 130 N 0.75 1.53 -0.49 1.87 0.00 -1.28 0.22 119.26 121.85 1nhk h ALA 130 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1nhk h ALA 130 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1nhk h ALA 130 CO 0.01 0.12 -0.00 -0.92 0.00 0.00 0.00 179.25 178.45 1nhk h TYR 131 N 0.00 0.95 0.00 0.00 3.20 -1.09 -3.35 116.97 116.69 1nhk h TYR 131 Ca -0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1nhk h TYR 131 Cb 0.21 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1nhk h TYR 131 CO 0.00 0.90 -0.95 1.19 -1.64 0.00 0.00 178.16 177.65 1nhk n PHE 132 N -4.32 0.00 -4.02 -3.82 3.72 -0.93 -5.02 117.46 103.07 1nhk n PHE 132 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1nhk n PHE 132 Cb 0.32 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 1nhk n PHE 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1nhk s PHE 133 N -2.58 0.32 0.50 1.38 0.08 0.73 -5.11 117.98 113.30 1nhk s PHE 133 Ca 0.03 -0.21 -0.13 0.00 0.12 0.00 0.00 56.93 56.74 1nhk s PHE 133 Cb 0.11 -0.20 -0.06 0.00 -0.57 0.00 0.00 43.02 42.29 1nhk s PHE 133 CO 0.63 -0.05 0.91 1.03 -0.10 0.00 0.00 175.22 177.64 1nhk s ARG 134 N -0.58 3.81 0.51 0.44 0.52 -1.26 -4.35 118.95 118.03 1nhk s ARG 134 Ca -0.04 0.72 0.21 0.00 -0.52 0.00 0.00 55.73 56.10 1nhk s ARG 134 Cb -0.04 -2.22 1.35 0.00 0.52 0.00 0.00 34.95 34.56 1nhk s ARG 134 CO -0.00 -0.25 2.10 0.93 0.02 0.00 0.00 175.30 178.10 1nhk h GLU 135 N 0.75 0.00 0.00 3.54 4.39 -1.96 -0.79 114.58 120.51 1nhk h GLU 135 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1nhk h GLU 135 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1nhk h GLU 135 CO 0.62 0.09 0.00 0.25 -1.16 0.00 0.00 179.01 178.81 1nhk n THR 136 N -4.09 0.04 0.55 1.13 -2.24 -1.26 -2.39 114.28 106.02 1nhk n THR 136 Ca -0.03 0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1nhk n THR 136 Cb 0.18 -0.61 0.13 0.00 -2.10 0.00 0.00 70.33 67.93 1nhk n THR 136 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nhk n GLU 137 N -1.06 2.04 -4.42 -0.78 1.02 -0.30 -4.90 120.64 112.24 1nhk n GLU 137 Ca 0.18 -1.90 -0.34 0.00 -0.02 0.00 0.00 57.16 55.08 1nhk n GLU 137 Cb 0.11 -1.41 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 1nhk n GLU 137 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nhk s ILE 138 N -1.50 3.01 -0.12 -3.67 1.01 -1.00 -4.60 121.20 114.32 1nhk s ILE 138 Ca 0.28 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 1nhk s ILE 138 Cb 0.18 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.40 1nhk s ILE 138 CO 0.26 0.49 0.05 -1.00 0.00 0.00 0.00 174.94 174.74 1nhk s HIS 139 N 0.83 0.47 0.62 3.97 3.76 0.64 -5.01 115.29 120.58 1nhk s HIS 139 Ca -0.04 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.53 1nhk s HIS 139 Cb -0.15 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.78 1nhk s HIS 139 CO 0.00 -0.41 0.99 0.45 -0.85 0.00 0.00 174.74 174.93 1nhk s SER 140 N 2.04 5.84 0.15 1.40 0.15 -1.26 -4.61 113.70 117.40 1nhk s SER 140 Ca 0.03 1.11 -0.20 0.00 0.70 0.00 0.00 55.95 57.59 1nhk s SER 140 Cb -0.14 -2.10 0.05 0.00 -1.71 0.00 0.00 66.02 62.12 1nhk s SER 140 CO -0.06 -1.03 0.52 -0.72 1.20 0.00 0.00 173.24 173.15 1nhk s TYR 141 N -3.14 -0.38 0.49 3.44 -0.85 -1.26 -5.14 117.35 110.51 1nhk s TYR 141 Ca 0.55 0.12 -0.14 0.00 -0.52 0.00 0.00 57.07 57.07 1nhk s TYR 141 Cb -0.11 0.43 -0.07 0.00 0.38 0.00 0.00 41.96 42.59 1nhk s TYR 141 CO 0.50 -0.80 0.92 -1.25 -1.52 0.00 0.00 175.55 173.41 1nhk s PRO 142 N -3.78 3.87 -0.23 -3.49 0.04 -1.26 -5.04 135.00 125.11 1nhk s PRO 142 Ca 0.02 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 1nhk s PRO 142 Cb 0.00 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1nhk s PRO 142 CO -0.12 -0.22 0.24 0.71 0.04 0.00 0.00 177.00 177.66 1nhk s TYR 143 N -2.59 3.32 -0.23 0.56 2.02 -1.26 -5.04 117.35 114.13 1nhk s TYR 143 Ca 0.56 0.34 -0.27 0.00 -0.37 0.00 0.00 57.07 57.34 1nhk s TYR 143 Cb -0.10 -2.37 0.10 0.00 -0.40 0.00 0.00 41.96 39.19 1nhk s TYR 143 CO 0.33 0.01 0.91 1.14 -1.57 0.00 0.00 175.55 176.37 1nhk s GLN 144 N 1.25 0.66 0.00 -0.62 -2.07 -1.26 -5.33 119.66 112.29 1nhk s GLN 144 Ca 0.11 0.58 0.28 0.00 -1.82 0.00 0.00 55.36 54.51 1nhk s GLN 144 Cb -0.14 0.32 0.96 0.00 -1.09 0.00 0.00 33.01 33.06 1nhk s GLN 144 CO 0.06 -0.12 1.70 1.63 -1.32 0.00 0.00 175.29 177.24