#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfk s ARG 0 N 0.00 3.06 0.21 1.61 1.81 -1.26 -5.06 118.95 119.31 3hfk s ARG 0 Ca 0.00 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 52.66 3hfk s ARG 0 Cb 0.00 -2.73 -0.09 0.00 -0.45 0.00 0.00 34.95 31.68 3hfk s ARG 0 CO 0.00 0.16 1.38 1.41 -0.68 0.00 0.00 175.30 177.57 3hfk s MET 1 N -4.07 4.33 0.13 3.54 1.75 -1.26 -4.80 119.30 118.92 3hfk s MET 1 Ca 0.41 2.17 -0.31 0.00 -1.25 0.00 0.00 55.69 56.71 3hfk s MET 1 Cb -0.08 -3.16 -0.08 0.00 2.84 0.00 0.00 34.83 34.35 3hfk s MET 1 CO 0.29 -0.35 1.31 0.42 -0.65 0.00 0.00 175.02 176.04 3hfk s ILE 2 N 0.19 3.47 -0.03 10.11 1.01 0.55 -4.87 121.20 131.64 3hfk s ILE 2 Ca 0.59 1.10 0.03 0.00 0.00 0.00 0.00 60.65 62.37 3hfk s ILE 2 Cb -0.39 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3hfk s ILE 2 CO 0.39 0.11 -0.09 -0.13 0.00 0.00 0.00 174.94 175.22 3hfk s ARG 3 N 0.71 1.01 -0.10 2.79 0.52 -1.26 -0.08 118.95 122.55 3hfk s ARG 3 Ca 0.60 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.51 3hfk s ARG 3 Cb -0.35 -0.94 0.02 0.00 0.52 0.00 0.00 34.95 34.20 3hfk s ARG 3 CO 0.32 0.12 -0.12 0.42 0.02 0.00 0.00 175.30 176.06 3hfk s ILE 4 N 0.19 1.24 -0.06 1.52 1.01 -0.46 -1.93 121.20 122.71 3hfk s ILE 4 Ca -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 3hfk s ILE 4 Cb -0.09 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3hfk s ILE 4 CO 0.01 0.39 0.07 -0.22 0.00 0.00 0.00 174.94 175.18 3hfk s LEU 5 N 1.08 3.90 -0.03 2.97 2.96 -0.32 -0.62 118.68 128.63 3hfk s LEU 5 Ca -0.06 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3hfk s LEU 5 Cb -0.14 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 3hfk s LEU 5 CO -0.02 0.34 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.89 3hfk s TYR 6 N -1.05 1.51 -0.08 5.38 2.02 0.21 -0.32 117.35 125.01 3hfk s TYR 6 Ca 0.18 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.34 3hfk s TYR 6 Cb -0.12 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 3hfk s TYR 6 CO 0.08 -0.11 0.41 -0.51 -1.57 0.00 0.00 175.55 173.85 3hfk s LEU 7 N -0.07 4.34 -0.11 -1.29 1.43 0.41 -0.86 118.68 122.54 3hfk s LEU 7 Ca -0.01 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 3hfk s LEU 7 Cb -0.09 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 3hfk s LEU 7 CO 0.01 0.14 -0.15 -0.76 0.23 0.00 0.00 176.35 175.81 3hfk s LEU 8 N -0.02 2.59 -0.10 1.79 1.02 0.16 -1.14 118.68 122.99 3hfk s LEU 8 Ca 0.23 -0.35 0.04 0.00 0.02 0.00 0.00 54.13 54.07 3hfk s LEU 8 Cb -0.15 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.50 3hfk s LEU 8 CO 0.10 0.20 -0.24 -0.69 0.02 0.00 0.00 176.35 175.74 3hfk s VAL 9 N 0.14 2.02 0.77 -1.59 1.01 -0.44 -1.04 120.40 121.27 3hfk s VAL 9 Ca -0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3hfk s VAL 9 Cb -0.15 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.53 3hfk s VAL 9 CO 0.05 0.55 1.08 -1.59 0.00 0.00 0.00 175.10 175.20 3hfk s LYS 10 N 0.33 2.32 0.42 2.72 -2.85 -1.26 -0.27 119.74 121.15 3hfk s LYS 10 Ca -0.18 1.02 -0.25 0.00 -1.00 0.00 0.00 55.97 55.56 3hfk s LYS 10 Cb -0.18 -1.92 -0.08 0.00 -2.06 0.00 0.00 37.83 33.60 3hfk s LYS 10 CO 0.09 -1.55 1.21 -2.14 0.10 0.00 0.00 175.35 173.05 3hfk s PRO 11 N -4.97 3.95 0.53 1.78 0.02 -1.26 -4.22 135.00 130.83 3hfk s PRO 11 Ca 0.60 1.92 0.20 0.00 0.02 0.00 0.00 61.00 63.75 3hfk s PRO 11 Cb -0.16 -2.64 1.34 0.00 0.02 0.00 0.00 34.50 33.06 3hfk s PRO 11 CO 0.56 -0.43 2.09 1.05 -0.33 0.00 0.00 177.00 179.93 3hfk h GLU 12 N 2.51 0.00 0.00 5.54 -0.00 -1.98 -1.73 114.58 118.92 3hfk h GLU 12 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 3hfk h GLU 12 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 3hfk h GLU 12 CO 0.62 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.50 3hfk n SER 13 N -4.45 0.62 -4.79 3.06 3.41 -1.26 -4.76 113.62 105.45 3hfk n SER 13 Ca 0.02 0.58 -0.37 0.00 -0.26 0.00 0.00 58.87 58.84 3hfk n SER 13 Cb 0.31 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.46 3hfk n SER 13 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hfk s MET 14 N -3.12 3.99 0.74 4.33 -2.45 -0.65 -5.08 119.30 117.05 3hfk s MET 14 Ca 0.10 0.08 -0.12 0.00 -1.25 0.00 0.00 55.69 54.50 3hfk s MET 14 Cb 0.13 -3.33 0.04 0.00 1.25 0.00 0.00 34.83 32.92 3hfk s MET 14 CO 0.53 0.47 1.11 -1.54 1.05 0.00 0.00 175.02 176.64 3hfk s SER 15 N -0.22 4.57 0.26 1.11 1.04 -1.26 -4.78 113.70 114.42 3hfk s SER 15 Ca 0.17 1.95 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 3hfk s SER 15 Cb -0.13 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.80 3hfk s SER 15 CO 0.05 -1.99 1.89 0.45 0.98 0.00 0.00 173.24 174.62 3hfk h HIS 16 N -0.73 1.17 -0.56 5.02 3.86 -1.97 0.16 115.15 122.10 3hfk h HIS 16 Ca -0.45 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.72 3hfk h HIS 16 Cb 1.24 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 3hfk h HIS 16 CO 0.55 0.64 0.06 1.49 0.86 0.00 0.00 177.93 181.53 3hfk h GLU 17 N 1.17 0.94 -0.52 2.45 4.57 -2.00 -1.16 114.58 120.04 3hfk h GLU 17 Ca 0.40 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 3hfk h GLU 17 Cb 0.09 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3hfk h GLU 17 CO -0.15 0.92 -0.09 0.37 -1.18 0.00 0.00 179.01 178.88 3hfk h GLN 18 N 0.83 0.96 -0.33 1.92 5.75 -1.78 -1.81 115.11 120.65 3hfk h GLN 18 Ca 0.17 -0.34 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3hfk h GLN 18 Cb 0.45 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3hfk h GLN 18 CO 0.02 1.00 0.18 0.35 -2.65 0.00 0.00 178.83 177.72 3hfk h PHE 19 N 0.86 0.33 -0.42 3.99 3.57 -0.72 0.16 116.94 124.71 3hfk h PHE 19 Ca 0.14 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 3hfk h PHE 19 Cb 0.63 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 3hfk h PHE 19 CO 0.04 0.18 0.01 -0.09 -2.23 0.00 0.00 178.31 176.22 3hfk h ARG 20 N 0.36 0.11 -0.58 1.11 2.43 -0.99 -0.51 114.38 116.32 3hfk h ARG 20 Ca 0.13 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3hfk h ARG 20 Cb 0.03 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3hfk h ARG 20 CO -0.08 0.08 0.32 0.87 -1.51 0.00 0.00 179.97 179.64 3hfk h LYS 21 N 0.12 0.59 -0.07 0.20 1.57 -0.88 -2.54 116.57 115.56 3hfk h LYS 21 Ca 0.21 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3hfk h LYS 21 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hfk h LYS 21 CO -0.34 0.39 -0.52 0.93 -0.57 0.00 0.00 179.45 179.35 3hfk h GLU 22 N 0.61 0.20 -0.80 3.15 4.39 -0.41 -2.11 114.58 119.61 3hfk h GLU 22 Ca 0.25 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.86 3hfk h GLU 22 Cb 0.13 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 3hfk h GLU 22 CO -0.15 0.67 0.51 0.00 -1.16 0.00 0.00 179.01 178.88 3hfk h VAL 24 N 1.02 1.26 -0.59 0.00 2.07 -1.17 -1.03 116.25 117.82 3hfk h VAL 24 Ca 0.31 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3hfk h VAL 24 Cb -0.03 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3hfk h VAL 24 CO -0.10 0.37 0.10 0.58 0.02 0.00 0.00 177.57 178.55 3hfk h VAL 25 N 0.71 1.25 -0.52 2.57 2.07 -1.13 -0.84 116.25 120.36 3hfk h VAL 25 Ca 0.14 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3hfk h VAL 25 Cb 0.50 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3hfk h VAL 25 CO 0.02 0.35 0.26 -0.74 0.02 0.00 0.00 177.57 177.49 3hfk h HIS 26 N 0.90 0.74 -0.30 1.57 2.76 -0.51 0.23 115.15 120.54 3hfk h HIS 26 Ca 0.19 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3hfk h HIS 26 Cb 0.38 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3hfk h HIS 26 CO 0.02 0.57 0.18 0.35 -1.30 0.00 0.00 177.93 177.75 3hfk h PHE 27 N 0.70 0.39 -0.79 5.26 3.57 -0.83 -2.75 116.94 122.50 3hfk h PHE 27 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3hfk h PHE 27 Cb 0.09 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3hfk h PHE 27 CO -0.01 0.30 0.45 1.96 -2.23 0.00 0.00 178.31 178.78 3hfk h GLN 28 N 0.38 1.09 -0.24 1.11 4.20 -0.53 -1.81 115.11 119.32 3hfk h GLN 28 Ca 0.11 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3hfk h GLN 28 Cb 0.02 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3hfk h GLN 28 CO -0.02 0.79 0.19 0.52 -0.67 0.00 0.00 178.83 179.65 3hfk h MET 29 N 1.09 0.00 0.00 1.46 2.86 -0.45 -2.99 114.93 116.90 3hfk h MET 29 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3hfk h MET 29 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hfk h MET 29 CO -0.05 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.79 3hfk n SER 30 N -4.22 0.00 -4.72 1.22 3.41 -0.68 -4.77 113.62 103.85 3hfk n SER 30 Ca 0.03 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 3hfk n SER 30 Cb 0.34 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3hfk n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfk s ALA 31 N -2.98 3.92 -1.28 7.33 0.00 -1.13 -1.76 121.76 125.85 3hfk s ALA 31 Ca 0.12 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3hfk s ALA 31 Cb 0.16 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3hfk s ALA 31 CO 0.45 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.71 3hfk n GLY 32 N 3.89 1.21 3.67 0.00 0.00 -1.26 -4.94 105.19 107.75 3hfk n GLY 32 Ca 0.15 -0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 3hfk n GLY 32 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hfk n MET 33 N -1.53 2.10 -1.68 1.61 0.00 -0.72 -4.90 117.12 112.00 3hfk n MET 33 Ca -0.12 0.76 -0.45 0.00 0.00 0.00 0.00 57.70 57.89 3hfk n MET 33 Cb 0.54 -2.54 -0.03 0.00 0.00 0.00 0.00 33.22 31.19 3hfk n MET 33 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3hfk n PRO 34 N 4.09 2.12 0.00 2.12 -0.02 -1.26 -2.14 135.00 139.91 3hfk n PRO 34 Ca 0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3hfk n PRO 34 Cb 0.28 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3hfk n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfk n GLY 35 N 2.63 2.95 3.66 -1.23 0.00 -1.26 -3.82 105.19 108.12 3hfk n GLY 35 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3hfk n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hfk s LEU 36 N 0.00 4.14 0.06 0.99 2.96 -0.91 -4.46 118.68 121.46 3hfk s LEU 36 Ca 0.00 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 3hfk s LEU 36 Cb 0.00 -2.54 -0.30 0.00 0.50 0.00 0.00 46.19 43.84 3hfk s LEU 36 CO 0.00 -0.10 1.09 -0.74 -1.32 0.00 0.00 176.35 175.28 3hfk h HIS 37 N 7.44 0.78 -1.85 5.38 -0.00 -0.92 -3.45 115.15 122.53 3hfk h HIS 37 Ca -0.35 -0.55 -0.01 0.00 -0.00 0.00 0.00 60.37 59.46 3hfk h HIS 37 Cb 1.16 -0.04 -0.21 0.00 -0.00 0.00 0.00 27.41 28.32 3hfk h HIS 37 CO 0.69 1.42 0.29 0.21 -0.00 0.00 0.00 177.93 180.53 3hfk s LYS 38 N -2.72 0.83 -0.00 5.26 2.20 -1.17 -4.98 119.74 119.16 3hfk s LYS 38 Ca -0.07 0.46 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 3hfk s LYS 38 Cb 0.06 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 3hfk s LYS 38 CO 0.92 -0.21 -0.17 -0.47 -0.36 0.00 0.00 175.35 175.06 3hfk s TYR 39 N -0.61 1.54 0.00 4.03 5.04 -1.26 -1.16 117.35 124.94 3hfk s TYR 39 Ca -0.04 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 3hfk s TYR 39 Cb -0.02 -0.98 -0.01 0.00 0.35 0.00 0.00 41.96 41.30 3hfk s TYR 39 CO 0.04 -0.01 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.17 3hfk s GLU 40 N -0.54 0.54 -0.02 4.97 2.12 -0.51 -4.99 118.70 120.28 3hfk s GLU 40 Ca 0.06 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3hfk s GLU 40 Cb -0.07 -0.51 0.01 0.00 0.26 0.00 0.00 34.13 33.82 3hfk s GLU 40 CO -0.00 0.14 -0.03 0.54 -0.54 0.00 0.00 175.26 175.36 3hfk s VAL 41 N -0.30 0.35 0.00 3.70 0.11 -1.26 -0.66 120.40 122.34 3hfk s VAL 41 Ca 0.01 -0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 58.95 3hfk s VAL 41 Cb -0.03 -0.34 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 3hfk s VAL 41 CO -0.00 0.13 0.00 0.00 -3.33 0.00 0.00 175.10 171.91 3hfk s ARG 42 N 0.35 0.06 0.51 1.54 1.70 -0.60 -4.99 118.95 117.52 3hfk s ARG 42 Ca -0.04 -0.09 -0.19 0.00 -0.47 0.00 0.00 55.73 54.94 3hfk s ARG 42 Cb -0.07 0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 34.26 3hfk s ARG 42 CO -0.00 -0.01 1.05 -0.51 -1.08 0.00 0.00 175.30 174.75 3hfk s LEU 43 N -0.23 3.78 -0.47 -1.89 1.43 -1.26 -0.70 118.68 119.35 3hfk s LEU 43 Ca -0.03 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 3hfk s LEU 43 Cb -0.02 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.67 3hfk s LEU 43 CO -0.00 -0.90 1.15 -0.69 0.23 0.00 0.00 176.35 176.14 3hfk s VAL 44 N -2.02 4.20 -0.11 -1.59 1.01 -0.46 -4.82 120.40 116.61 3hfk s VAL 44 Ca 0.68 1.24 0.21 0.00 0.00 0.00 0.00 61.98 64.10 3hfk s VAL 44 Cb -0.17 -4.57 -0.23 0.00 0.00 0.00 0.00 36.38 31.41 3hfk s VAL 44 CO 0.23 -0.97 0.57 0.00 0.00 0.00 0.00 175.10 174.93 3hfk n ALA 45 N 7.85 2.40 -3.21 5.51 0.00 -1.26 -4.91 120.51 126.88 3hfk n ALA 45 Ca 0.12 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 3hfk n ALA 45 Cb 0.49 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 3hfk n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hfk s GLY 46 N -4.70 -0.12 -0.49 0.00 0.00 -1.26 -5.09 107.32 95.66 3hfk s GLY 46 Ca -0.06 0.27 0.07 0.00 0.00 0.00 0.00 44.72 45.00 3hfk s GLY 46 CO 0.86 0.08 0.64 0.70 0.00 0.00 0.00 173.10 175.38 3hfk n ASN 47 N 1.38 1.80 -4.73 1.64 3.02 -1.26 -5.10 115.26 112.01 3hfk n ASN 47 Ca -0.21 -3.05 -0.42 0.00 -0.03 0.00 0.00 54.58 50.87 3hfk n ASN 47 Cb 0.56 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 3hfk n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hfk s PRO 48 N -1.89 4.30 0.00 3.52 0.04 -1.26 -4.92 135.00 134.80 3hfk s PRO 48 Ca 0.38 2.19 0.16 0.00 0.04 0.00 0.00 61.00 63.77 3hfk s PRO 48 Cb 0.18 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.55 3hfk s PRO 48 CO -0.07 -0.43 0.87 0.25 0.04 0.00 0.00 177.00 177.66 3hfk n THR 49 N 3.26 0.00 -1.15 1.26 -2.24 -1.26 -4.75 114.28 109.41 3hfk n THR 49 Ca 0.10 -0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 3hfk n THR 49 Cb 0.41 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 3hfk n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hfk n ASP 50 N 0.01 7.40 -4.83 3.42 5.75 -1.26 -4.76 116.55 122.27 3hfk n ASP 50 Ca 0.07 -2.50 -0.33 0.00 -0.01 0.00 0.00 54.79 52.02 3hfk n ASP 50 Cb 0.35 -1.44 -0.05 0.00 -1.03 0.00 0.00 41.12 38.94 3hfk n ASP 50 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hfk s THR 51 N 2.11 4.42 -0.74 2.12 -4.23 -1.26 -4.97 115.64 113.09 3hfk s THR 51 Ca 0.64 1.35 0.26 0.00 -1.18 0.00 0.00 61.69 62.76 3hfk s THR 51 Cb 0.19 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.68 3hfk s THR 51 CO -0.04 -0.48 1.79 0.00 -0.54 0.00 0.00 174.62 175.34 3hfk n ALA 52 N -1.08 2.26 -2.59 3.99 0.00 -1.26 -4.75 120.51 117.07 3hfk n ALA 52 Ca 0.07 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 3hfk n ALA 52 Cb 0.54 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 3hfk n ALA 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hfk s VAL 53 N -3.10 2.08 0.22 0.00 -7.23 -1.26 -5.08 120.40 106.03 3hfk s VAL 53 Ca 0.11 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.93 3hfk s VAL 53 Cb 0.13 -2.91 -0.15 0.00 0.56 0.00 0.00 36.38 34.01 3hfk s VAL 53 CO 0.58 -0.05 1.22 -2.65 -0.31 0.00 0.00 175.10 173.90 3hfk n PRO 54 N -0.94 1.51 -2.42 4.82 -0.02 -1.26 -4.92 135.00 131.78 3hfk n PRO 54 Ca -0.05 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3hfk n PRO 54 Cb 0.66 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 3hfk n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hfk s TYR 55 N -0.32 3.50 -0.25 6.00 5.04 -1.26 -5.01 117.35 125.04 3hfk s TYR 55 Ca 0.69 1.62 -0.06 0.00 -2.44 0.00 0.00 57.07 56.88 3hfk s TYR 55 Cb -0.75 -3.35 -0.01 0.00 0.35 0.00 0.00 41.96 38.20 3hfk s TYR 55 CO 0.53 -0.81 0.03 -1.17 -1.34 0.00 0.00 175.55 172.79 3hfk s LEU 56 N -1.23 3.37 -0.21 6.97 2.96 -1.26 -5.08 118.68 124.20 3hfk s LEU 56 Ca 0.47 -0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 3hfk s LEU 56 Cb -0.33 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 3hfk s LEU 56 CO 0.41 -0.08 0.48 -0.62 -1.32 0.00 0.00 176.35 175.22 3hfk s ASP 57 N 1.52 6.51 -0.06 3.68 -1.08 -1.26 -4.92 116.67 121.07 3hfk s ASP 57 Ca 0.05 0.61 0.08 0.00 -0.52 0.00 0.00 52.55 52.77 3hfk s ASP 57 Cb -0.15 -2.27 0.15 0.00 -1.46 0.00 0.00 42.92 39.18 3hfk s ASP 57 CO 0.01 -0.16 1.09 1.33 0.52 0.00 0.00 175.17 177.96 3hfk n VAL 58 N 4.54 1.38 -2.76 1.11 0.24 -1.26 -5.12 118.33 116.46 3hfk n VAL 58 Ca -0.06 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 3hfk n VAL 58 Cb 0.51 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3hfk n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hfk n GLY 59 N -0.76 -2.07 3.58 7.63 0.00 -1.26 -4.80 105.19 107.50 3hfk n GLY 59 Ca 0.08 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3hfk n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hfk s ARG 60 N -0.09 3.67 -0.15 1.61 3.52 -1.26 -5.04 118.95 121.21 3hfk s ARG 60 Ca 0.00 0.20 -0.05 0.00 -0.13 0.00 0.00 55.73 55.75 3hfk s ARG 60 Cb 0.00 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 3hfk s ARG 60 CO 0.00 -0.89 0.00 0.42 -0.81 0.00 0.00 175.30 174.02 3hfk s ILE 61 N 3.10 4.26 -0.10 4.11 -1.09 -1.26 -4.87 121.20 125.34 3hfk s ILE 61 Ca 0.30 -0.23 0.09 0.00 -2.23 0.00 0.00 60.65 58.58 3hfk s ILE 61 Cb -0.13 -2.87 -0.24 0.00 -1.58 0.00 0.00 42.46 37.64 3hfk s ILE 61 CO 0.18 0.50 0.45 0.47 -1.23 0.00 0.00 174.94 175.31 3hfk n ASP 62 N 3.27 1.01 -3.59 3.58 8.00 -0.21 -4.64 116.55 123.98 3hfk n ASP 62 Ca -0.17 0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.48 3hfk n ASP 62 Cb 0.53 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 3hfk n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hfk s ALA 63 N -2.57 -1.11 -0.14 2.24 0.00 -1.02 -1.35 121.76 117.82 3hfk s ALA 63 Ca -0.11 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3hfk s ALA 63 Cb 0.07 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3hfk s ALA 63 CO 0.80 -0.63 -0.22 0.42 0.00 0.00 0.00 175.76 176.13 3hfk s ILE 64 N -3.49 2.05 0.17 0.00 -1.09 0.12 -0.67 121.20 118.29 3hfk s ILE 64 Ca 0.01 -0.98 0.09 0.00 -2.23 0.00 0.00 60.65 57.54 3hfk s ILE 64 Cb 0.01 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 39.04 3hfk s ILE 64 CO -0.10 0.55 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.23 3hfk s GLY 65 N 0.77 1.73 -0.13 6.18 0.00 -0.03 -1.56 107.32 114.28 3hfk s GLY 65 Ca -0.08 -1.43 -0.10 0.00 0.00 0.00 0.00 44.72 43.10 3hfk s GLY 65 CO -0.01 -1.45 0.33 1.85 0.00 0.00 0.00 173.10 173.82 3hfk s GLU 66 N -2.72 0.35 0.01 2.90 2.12 0.16 0.67 118.70 122.20 3hfk s GLU 66 Ca 0.24 0.52 0.08 0.00 0.36 0.00 0.00 54.97 56.17 3hfk s GLU 66 Cb -0.09 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 3hfk s GLU 66 CO 0.15 -0.08 -0.25 0.00 -0.54 0.00 0.00 175.26 174.54 3hfk s TRP 68 N -0.68 2.53 -0.03 0.00 0.51 -0.30 -1.35 118.94 119.62 3hfk s TRP 68 Ca 0.10 -0.70 0.04 0.00 -2.12 0.00 0.00 56.10 53.42 3hfk s TRP 68 Cb -0.10 -1.65 -0.01 0.00 -0.81 0.00 0.00 33.47 30.91 3hfk s TRP 68 CO 0.00 -0.20 -0.15 -0.06 -0.51 0.00 0.00 176.95 176.03 3hfk s PHE 69 N -0.09 1.40 -0.49 -1.98 0.08 0.89 -0.22 117.98 117.57 3hfk s PHE 69 Ca -0.05 -0.33 0.26 0.00 0.12 0.00 0.00 56.93 56.92 3hfk s PHE 69 Cb -0.14 -0.93 0.71 0.00 -0.57 0.00 0.00 43.02 42.08 3hfk s PHE 69 CO 0.04 -0.09 1.73 0.00 -0.10 0.00 0.00 175.22 176.80 3hfk h ALA 70 N 6.07 1.00 -2.59 5.36 0.00 -1.86 0.16 119.26 127.40 3hfk h ALA 70 Ca -0.34 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.67 3hfk h ALA 70 Cb 1.17 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 3hfk h ALA 70 CO 0.48 0.00 0.38 -1.54 0.00 0.00 0.00 179.25 178.58 3hfk s SER 71 N -5.30 -0.31 0.31 0.00 1.04 -1.26 -4.66 113.70 103.51 3hfk s SER 71 Ca 0.07 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 3hfk s SER 71 Cb 0.09 0.54 0.49 0.00 0.10 0.00 0.00 66.02 67.23 3hfk s SER 71 CO 0.60 -0.94 1.96 -0.33 0.98 0.00 0.00 173.24 175.50 3hfk h GLU 72 N 2.00 0.97 -0.50 4.02 5.08 -1.95 -1.74 114.58 122.47 3hfk h GLU 72 Ca -0.24 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3hfk h GLU 72 Cb 1.25 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3hfk h GLU 72 CO 0.28 0.68 0.15 0.93 -1.00 0.00 0.00 179.01 180.05 3hfk h GLU 73 N 0.99 0.78 -0.79 2.33 3.07 -2.00 -1.55 114.58 117.41 3hfk h GLU 73 Ca 0.26 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 3hfk h GLU 73 Cb -0.05 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.71 3hfk h GLU 73 CO -0.05 0.73 0.40 1.96 -1.40 0.00 0.00 179.01 180.65 3hfk h GLN 74 N 0.68 1.12 -0.86 2.33 1.08 -1.78 -0.78 115.11 116.91 3hfk h GLN 74 Ca 0.16 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3hfk h GLN 74 Cb 0.28 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 3hfk h GLN 74 CO -0.00 0.85 0.50 -0.92 -0.95 0.00 0.00 178.83 178.30 3hfk h TYR 75 N 1.11 1.15 -0.22 2.96 3.20 -0.92 -0.96 116.97 123.30 3hfk h TYR 75 Ca 0.27 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 3hfk h TYR 75 Cb 0.08 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3hfk h TYR 75 CO 0.01 0.78 0.10 0.37 -1.64 0.00 0.00 178.16 177.79 3hfk h GLN 76 N 1.19 0.31 -0.54 1.82 4.15 -0.27 -0.99 115.11 120.78 3hfk h GLN 76 Ca 0.31 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.78 3hfk h GLN 76 Cb -0.01 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.54 3hfk h GLN 76 CO -0.05 0.32 0.08 0.28 -1.93 0.00 0.00 178.83 177.53 3hfk h VAL 77 N 0.22 0.66 -0.04 2.39 2.07 -0.91 -0.19 116.25 120.44 3hfk h VAL 77 Ca 0.07 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3hfk h VAL 77 Cb 0.12 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hfk h VAL 77 CO -0.01 0.04 0.01 0.22 0.02 0.00 0.00 177.57 177.84 3hfk h TYR 78 N 0.21 0.01 -0.08 1.57 3.20 -1.04 -2.44 116.97 118.40 3hfk h TYR 78 Ca 0.28 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3hfk h TYR 78 Cb 0.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3hfk h TYR 78 CO -0.26 0.00 -0.01 0.52 -1.64 0.00 0.00 178.16 176.77 3hfk h MET 79 N 0.02 0.12 0.00 1.82 2.86 -0.63 -2.44 114.93 116.68 3hfk h MET 79 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hfk h MET 79 Cb 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3hfk h MET 79 CO -0.03 0.14 0.00 0.39 1.06 0.00 0.00 176.91 178.48 3hfk n GLU 80 N -4.45 0.24 -2.40 1.72 1.02 -0.13 -4.92 120.64 111.72 3hfk n GLU 80 Ca -0.02 0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 3hfk n GLU 80 Cb 0.14 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 3hfk n GLU 80 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hfk s SER 81 N -4.42 7.01 0.33 1.62 0.15 -0.92 -4.94 113.70 112.53 3hfk s SER 81 Ca 0.10 1.92 0.01 0.00 0.70 0.00 0.00 55.95 58.67 3hfk s SER 81 Cb 0.12 -2.56 0.56 0.00 -1.71 0.00 0.00 66.02 62.43 3hfk s SER 81 CO 0.56 -0.59 1.97 0.44 1.20 0.00 0.00 173.24 176.81 3hfk h ASP 82 N 7.42 0.77 0.41 5.45 3.32 -1.91 -1.71 116.42 130.16 3hfk h ASP 82 Ca -0.36 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.51 3hfk h ASP 82 Cb 1.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3hfk h ASP 82 CO 0.87 0.60 -0.57 -0.29 -1.72 0.00 0.00 179.24 178.13 3hfk h ILE 83 N 0.88 1.38 -0.55 0.35 6.09 -1.96 -1.63 117.51 122.07 3hfk h ILE 83 Ca 0.23 -1.92 -0.04 0.00 -1.37 0.00 0.00 64.86 61.76 3hfk h ILE 83 Cb -0.02 1.98 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 3hfk h ILE 83 CO -0.04 0.56 0.20 -0.09 -3.07 0.00 0.00 178.15 175.71 3hfk h ARG 84 N 0.13 0.84 -0.89 2.19 2.43 -1.75 0.13 114.38 117.47 3hfk h ARG 84 Ca -0.00 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3hfk h ARG 84 Cb 1.04 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 3hfk h ARG 84 CO 0.08 0.75 0.54 0.87 -1.51 0.00 0.00 179.97 180.70 3hfk h LYS 85 N 0.76 1.20 -0.43 0.20 1.57 -1.00 0.22 116.57 119.09 3hfk h LYS 85 Ca 0.18 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 3hfk h LYS 85 Cb 0.24 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hfk h LYS 85 CO -0.01 0.84 -0.29 0.00 -0.57 0.00 0.00 179.45 179.41 3hfk h ALA 86 N 1.37 0.67 -0.59 3.86 0.00 -1.04 -1.94 119.26 121.59 3hfk h ALA 86 Ca 0.32 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hfk h ALA 86 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3hfk h ALA 86 CO -0.06 0.67 0.34 2.35 0.00 0.00 0.00 179.25 182.56 3hfk h TRP 87 N 0.79 0.64 -0.14 0.00 7.01 0.01 -1.61 115.95 122.65 3hfk h TRP 87 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3hfk h TRP 87 Cb 0.87 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 3hfk h TRP 87 CO 0.05 0.34 0.06 0.74 -2.79 0.00 0.00 178.44 176.84 3hfk h PHE 88 N 0.67 0.18 -0.42 2.65 -1.00 -0.70 -1.26 116.94 117.06 3hfk h PHE 88 Ca 0.25 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 3hfk h PHE 88 Cb 0.08 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 3hfk h PHE 88 CO -0.07 0.15 0.03 0.93 -1.61 0.00 0.00 178.31 177.74 3hfk h GLU 89 N 0.19 0.66 -0.64 1.51 4.39 -0.52 -0.20 114.58 119.97 3hfk h GLU 89 Ca 0.05 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3hfk h GLU 89 Cb 0.04 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3hfk h GLU 89 CO -0.01 0.66 0.25 1.25 -1.16 0.00 0.00 179.01 180.00 3hfk h HIS 90 N 0.63 0.98 -0.73 4.33 2.76 -0.71 -2.77 115.15 119.65 3hfk h HIS 90 Ca 0.13 -0.08 0.14 0.00 -2.20 0.00 0.00 60.37 58.37 3hfk h HIS 90 Cb 0.35 -0.29 -0.10 0.00 1.55 0.00 0.00 27.41 28.92 3hfk h HIS 90 CO 0.02 0.77 0.25 0.78 -1.30 0.00 0.00 177.93 178.45 3hfk h GLY 91 N 0.90 1.06 1.17 5.26 0.00 -0.39 -1.60 103.07 109.48 3hfk h GLY 91 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.52 3hfk h GLY 91 CO -0.02 -0.12 0.36 0.50 0.00 0.00 0.00 176.54 177.26 3hfk h LYS 92 N 0.38 0.38 0.03 4.80 1.57 -0.78 1.00 116.57 123.95 3hfk h LYS 92 Ca 0.40 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.94 3hfk h LYS 92 Cb 0.62 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.86 3hfk h LYS 92 CO -0.42 0.25 -0.84 -0.92 -0.57 0.00 0.00 179.45 176.95 3hfk h TYR 93 N 0.40 0.80 -0.00 -1.35 3.20 -1.19 -3.39 116.97 115.43 3hfk h TYR 93 Ca 0.24 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3hfk h TYR 93 Cb 0.44 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3hfk h TYR 93 CO -0.00 1.29 -0.46 1.97 -1.64 0.00 0.00 178.16 179.32 3hfk n PHE 94 N -4.04 0.00 -3.73 -3.82 1.16 -0.97 -4.86 117.46 101.19 3hfk n PHE 94 Ca -0.11 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.09 3hfk n PHE 94 Cb 0.79 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.54 3hfk n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hfk s ILE 95 N -1.96 3.90 0.05 1.97 1.01 0.33 -4.17 121.20 122.33 3hfk s ILE 95 Ca 0.07 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 3hfk s ILE 95 Cb 0.10 -3.20 -0.20 0.00 0.01 0.00 0.00 42.46 39.17 3hfk s ILE 95 CO 0.44 -0.18 1.19 1.23 0.00 0.00 0.00 174.94 177.62 3hfk h GLY 96 N 8.25 0.63 -4.24 6.18 0.00 -0.81 -3.43 103.07 109.65 3hfk h GLY 96 Ca -0.24 -0.98 -0.14 0.00 0.00 0.00 0.00 47.33 45.97 3hfk h GLY 96 CO 0.61 0.87 -0.61 1.20 0.00 0.00 0.00 176.54 178.62 3hfk s GLN 97 N -3.48 0.49 -0.08 4.80 -0.21 -0.86 -4.92 119.66 115.40 3hfk s GLN 97 Ca -0.12 -0.77 -0.05 0.00 0.02 0.00 0.00 55.36 54.45 3hfk s GLN 97 Cb 0.06 0.19 0.03 0.00 1.00 0.00 0.00 33.01 34.29 3hfk s GLN 97 CO 0.86 -0.11 0.19 -1.17 -2.12 0.00 0.00 175.29 172.94 3hfk s LEU 98 N -2.00 0.80 -0.25 2.90 2.96 -1.26 -1.33 118.68 120.50 3hfk s LEU 98 Ca -0.07 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3hfk s LEU 98 Cb -0.03 0.56 0.06 0.00 0.50 0.00 0.00 46.19 47.28 3hfk s LEU 98 CO -0.04 -0.13 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.01 3hfk s LYS 99 N 0.87 2.12 0.06 1.98 2.47 -0.29 -4.97 119.74 121.99 3hfk s LYS 99 Ca -0.06 -1.21 -0.20 0.00 -1.56 0.00 0.00 55.97 52.94 3hfk s LYS 99 Cb -0.08 -2.77 -0.07 0.00 -1.46 0.00 0.00 37.83 33.45 3hfk s LYS 99 CO -0.05 -0.55 0.58 -2.14 0.16 0.00 0.00 175.35 173.36 3hfk s PRO 100 N 1.20 4.24 -0.17 4.03 0.02 -1.26 -0.45 135.00 142.60 3hfk s PRO 100 Ca -0.07 0.76 0.01 0.00 0.02 0.00 0.00 61.00 61.71 3hfk s PRO 100 Cb -0.19 -3.26 0.03 0.00 0.02 0.00 0.00 34.50 31.10 3hfk s PRO 100 CO -0.06 0.59 -0.12 -0.06 -0.33 0.00 0.00 177.00 177.02 3hfk s PHE 101 N -0.96 2.29 -0.17 6.54 0.08 0.56 -4.99 117.98 121.33 3hfk s PHE 101 Ca 0.30 -1.40 -0.29 0.00 0.12 0.00 0.00 56.93 55.65 3hfk s PHE 101 Cb -0.19 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 3hfk s PHE 101 CO 0.19 -0.71 1.05 0.08 -0.10 0.00 0.00 175.22 175.73 3hfk s VAL 102 N 1.44 4.67 0.41 -0.44 1.01 -1.26 -1.17 120.40 125.06 3hfk s VAL 102 Ca 0.02 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.04 3hfk s VAL 102 Cb -0.14 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3hfk s VAL 102 CO -0.09 -0.09 0.57 0.42 0.00 0.00 0.00 175.10 175.90 3hfk s THR 103 N 2.68 3.44 -0.02 3.92 -4.23 -0.81 -5.01 115.64 115.60 3hfk s THR 103 Ca 0.47 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 3hfk s THR 103 Cb -0.17 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.49 3hfk s THR 103 CO 0.12 -0.09 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.40 3hfk s GLU 104 N -4.36 0.40 0.54 3.99 2.12 -1.26 -4.63 118.70 115.48 3hfk s GLU 104 Ca 0.51 -0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.64 3hfk s GLU 104 Cb -0.10 -0.50 -0.06 0.00 0.26 0.00 0.00 34.13 33.73 3hfk s GLU 104 CO 0.34 -0.07 1.10 -1.21 -0.54 0.00 0.00 175.26 174.87 3hfk s GLU 105 N 0.71 3.44 -0.00 4.30 0.41 -1.26 -4.97 118.70 121.33 3hfk s GLU 105 Ca -0.08 1.50 0.01 0.00 -0.41 0.00 0.00 54.97 56.00 3hfk s GLU 105 Cb -0.11 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.20 3hfk s GLU 105 CO -0.01 -0.75 0.01 1.28 -0.49 0.00 0.00 175.26 175.30 3hfk n LEU 106 N -1.32 0.00 0.00 1.80 4.77 -1.26 -5.21 117.00 115.78 3hfk n LEU 106 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3hfk n LEU 106 Cb 0.52 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3hfk n LEU 106 CO 0.42 0.01 0.09 1.33 -1.33 0.00 0.00 177.39 177.91