#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfk s MET 1 N 0.00 3.95 0.11 -0.14 0.00 -1.26 -4.45 119.30 117.50 3hfk s MET 1 Ca 0.00 0.58 -0.31 0.00 0.00 0.00 0.00 55.69 55.96 3hfk s MET 1 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 34.83 31.03 3hfk s MET 1 CO 0.00 -0.70 1.24 0.42 0.00 0.00 0.00 175.02 175.98 3hfk s ILE 2 N 2.99 3.75 -0.04 10.11 1.01 0.41 -4.87 121.20 134.57 3hfk s ILE 2 Ca 0.33 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.32 3hfk s ILE 2 Cb -0.14 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3hfk s ILE 2 CO 0.13 0.13 -0.12 -0.13 0.00 0.00 0.00 174.94 174.95 3hfk s ARG 3 N 0.72 1.33 -0.12 2.79 0.52 -1.26 -0.28 118.95 122.65 3hfk s ARG 3 Ca 0.58 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 3hfk s ARG 3 Cb -0.32 -1.18 0.02 0.00 0.52 0.00 0.00 34.95 33.99 3hfk s ARG 3 CO 0.31 0.13 -0.12 0.42 0.02 0.00 0.00 175.30 176.07 3hfk s ILE 4 N 0.26 1.31 -0.05 1.52 1.01 -0.45 -1.69 121.20 123.11 3hfk s ILE 4 Ca -0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3hfk s ILE 4 Cb -0.11 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 3hfk s ILE 4 CO 0.02 0.41 0.06 -0.22 0.00 0.00 0.00 174.94 175.21 3hfk s LEU 5 N 1.43 3.87 -0.03 2.97 2.96 -0.44 -1.10 118.68 128.33 3hfk s LEU 5 Ca 0.01 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3hfk s LEU 5 Cb -0.13 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 3hfk s LEU 5 CO -0.07 0.33 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.84 3hfk s TYR 6 N -1.07 1.36 -0.20 5.38 2.02 0.12 0.53 117.35 125.49 3hfk s TYR 6 Ca 0.19 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 3hfk s TYR 6 Cb -0.12 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 3hfk s TYR 6 CO 0.09 -0.13 0.45 -0.51 -1.57 0.00 0.00 175.55 173.88 3hfk s LEU 7 N 0.10 4.15 -0.11 -1.29 1.43 0.03 -0.81 118.68 122.17 3hfk s LEU 7 Ca -0.03 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3hfk s LEU 7 Cb -0.10 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3hfk s LEU 7 CO 0.01 -0.13 -0.06 -0.76 0.23 0.00 0.00 176.35 175.65 3hfk s LEU 8 N 1.48 3.18 -0.11 1.79 1.43 0.35 -1.51 118.68 125.30 3hfk s LEU 8 Ca 0.21 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3hfk s LEU 8 Cb -0.15 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3hfk s LEU 8 CO 0.09 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 176.04 3hfk s VAL 9 N -0.22 2.37 0.73 -1.59 1.01 -0.20 -0.98 120.40 121.52 3hfk s VAL 9 Ca 0.03 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 3hfk s VAL 9 Cb -0.13 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.35 3hfk s VAL 9 CO 0.03 0.55 1.11 -1.59 0.00 0.00 0.00 175.10 175.20 3hfk s LYS 10 N 0.35 2.39 0.46 2.72 -2.85 -1.26 -0.49 119.74 121.05 3hfk s LYS 10 Ca -0.16 1.35 -0.24 0.00 -1.00 0.00 0.00 55.97 55.92 3hfk s LYS 10 Cb -0.17 -1.90 -0.07 0.00 -2.06 0.00 0.00 37.83 33.62 3hfk s LYS 10 CO 0.08 -1.56 1.24 -2.14 0.10 0.00 0.00 175.35 173.07 3hfk s PRO 11 N -4.44 3.72 0.61 1.78 0.02 -1.26 -4.31 135.00 131.13 3hfk s PRO 11 Ca 0.65 1.97 0.40 0.00 0.02 0.00 0.00 61.00 64.05 3hfk s PRO 11 Cb -0.20 -2.50 2.03 0.00 0.02 0.00 0.00 34.50 33.85 3hfk s PRO 11 CO 0.49 -0.64 2.22 0.93 -0.33 0.00 0.00 177.00 179.67 3hfk h GLU 12 N 2.16 0.00 0.00 5.54 4.39 -1.97 -1.66 114.58 123.04 3hfk h GLU 12 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3hfk h GLU 12 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3hfk h GLU 12 CO 0.60 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.32 3hfk n SER 13 N -3.05 0.00 -4.40 1.42 3.41 -1.26 -4.86 113.62 104.88 3hfk n SER 13 Ca -0.02 -0.75 -0.31 0.00 -0.26 0.00 0.00 58.87 57.53 3hfk n SER 13 Cb 0.15 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.15 2.07 0.71 4.33 -2.45 -0.63 -5.13 119.30 116.05 3hfk s MET 14 Ca 0.42 -0.97 -0.11 0.00 -1.25 0.00 0.00 55.69 53.78 3hfk s MET 14 Cb 0.21 -2.13 0.02 0.00 1.25 0.00 0.00 34.83 34.17 3hfk s MET 14 CO 0.38 0.55 1.09 -1.54 1.05 0.00 0.00 175.02 176.55 3hfk s SER 15 N -1.14 5.39 0.18 1.11 1.04 -1.26 -4.83 113.70 114.19 3hfk s SER 15 Ca 0.13 1.18 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 3hfk s SER 15 Cb -0.10 -1.99 0.08 0.00 0.10 0.00 0.00 66.02 64.11 3hfk s SER 15 CO 0.03 -1.38 1.78 0.45 0.98 0.00 0.00 173.24 175.10 3hfk h HIS 16 N -0.68 0.82 -0.57 5.02 3.86 -1.99 -1.46 115.15 120.14 3hfk h HIS 16 Ca -0.45 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.72 3hfk h HIS 16 Cb 1.25 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 3hfk h HIS 16 CO 0.51 0.60 0.28 1.49 0.86 0.00 0.00 177.93 181.67 3hfk h GLU 17 N 0.80 0.81 -0.79 2.45 4.57 -2.00 -1.47 114.58 118.95 3hfk h GLU 17 Ca 0.21 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3hfk h GLU 17 Cb 0.06 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 3hfk h GLU 17 CO -0.03 0.65 0.33 0.37 -1.18 0.00 0.00 179.01 179.15 3hfk h GLN 18 N 0.77 1.16 -0.34 1.92 5.75 -1.90 -2.02 115.11 120.44 3hfk h GLN 18 Ca 0.20 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3hfk h GLN 18 Cb 0.10 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3hfk h GLN 18 CO -0.03 0.93 0.09 0.35 -2.65 0.00 0.00 178.83 177.53 3hfk h PHE 19 N 1.13 0.16 -0.75 3.99 3.57 -0.98 -0.69 116.94 123.37 3hfk h PHE 19 Ca 0.26 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.87 3hfk h PHE 19 Cb 0.19 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3hfk h PHE 19 CO 0.02 0.05 0.41 -0.09 -2.23 0.00 0.00 178.31 176.47 3hfk h ARG 20 N 0.22 0.69 -0.66 1.11 2.43 -1.05 0.74 114.38 117.86 3hfk h ARG 20 Ca 0.16 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3hfk h ARG 20 Cb 0.16 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3hfk h ARG 20 CO -0.19 0.45 0.12 0.87 -1.51 0.00 0.00 179.97 179.72 3hfk h LYS 21 N 0.71 1.09 -0.23 0.20 1.57 -0.76 -2.66 116.57 116.49 3hfk h LYS 21 Ca 0.35 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 3hfk h LYS 21 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hfk h LYS 21 CO -0.23 0.99 -0.30 0.93 -0.57 0.00 0.00 179.45 180.27 3hfk h GLU 22 N 1.01 0.46 -0.54 3.15 4.39 -0.42 -1.80 114.58 120.83 3hfk h GLU 22 Ca 0.20 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 59.78 3hfk h GLU 22 Cb 0.42 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 3hfk h GLU 22 CO 0.01 0.71 0.25 0.00 -1.16 0.00 0.00 179.01 178.82 3hfk h VAL 24 N 0.47 1.25 -0.97 0.00 2.07 -1.15 -1.02 116.25 116.90 3hfk h VAL 24 Ca 0.25 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3hfk h VAL 24 Cb 0.22 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3hfk h VAL 24 CO -0.21 0.32 0.63 0.58 0.02 0.00 0.00 177.57 178.90 3hfk h VAL 25 N 0.53 1.25 -0.44 2.57 2.07 -1.07 -1.26 116.25 119.91 3hfk h VAL 25 Ca 0.12 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3hfk h VAL 25 Cb 0.42 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hfk h VAL 25 CO 0.01 0.25 -0.11 -0.74 0.02 0.00 0.00 177.57 177.00 3hfk h HIS 26 N 1.32 0.87 -0.17 1.57 2.76 -0.13 -0.41 115.15 120.96 3hfk h HIS 26 Ca 0.35 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3hfk h HIS 26 Cb -0.13 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 3hfk h HIS 26 CO -0.00 0.86 0.03 0.35 -1.30 0.00 0.00 177.93 177.87 3hfk h PHE 27 N 0.71 0.29 -0.74 5.26 3.57 -0.65 -2.87 116.94 122.52 3hfk h PHE 27 Ca 0.12 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.67 3hfk h PHE 27 Cb 0.60 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 3hfk h PHE 27 CO 0.03 0.42 0.39 1.96 -2.23 0.00 0.00 178.31 178.89 3hfk h GLN 28 N 0.07 0.66 -0.05 1.11 4.20 -0.88 -1.98 115.11 118.25 3hfk h GLN 28 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3hfk h GLN 28 Cb 0.28 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3hfk h GLN 28 CO 0.00 0.44 -0.01 0.52 -0.67 0.00 0.00 178.83 179.11 3hfk h MET 29 N 0.68 0.07 0.00 1.46 2.86 -1.02 -3.07 114.93 115.91 3hfk h MET 29 Ca 0.35 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3hfk h MET 29 Cb 0.33 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3hfk h MET 29 CO -0.24 0.09 0.00 0.66 1.06 0.00 0.00 176.91 178.47 3hfk h SER 30 N 0.07 0.00 -2.30 1.22 4.64 -1.12 -3.45 113.55 112.60 3hfk h SER 30 Ca 0.02 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.76 3hfk h SER 30 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3hfk h SER 30 CO 0.00 0.00 0.88 0.00 -0.87 0.00 0.00 176.83 176.84 3hfk n ALA 31 N -1.80 1.52 -1.46 5.18 0.00 -1.16 -1.82 120.51 120.96 3hfk n ALA 31 Ca 0.03 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 3hfk n ALA 31 Cb 0.27 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 3hfk n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfk n GLY 32 N 3.66 1.37 3.71 0.00 0.00 -1.26 -4.95 105.19 107.71 3hfk n GLY 32 Ca 0.18 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.58 2.72 -1.66 1.61 0.00 -0.76 -4.91 117.12 111.54 3hfk n MET 33 Ca -0.14 0.98 -0.46 0.00 0.00 0.00 0.00 57.70 58.08 3hfk n MET 33 Cb 0.47 -2.83 -0.03 0.00 0.00 0.00 0.00 33.22 30.83 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 4.25 1.99 0.00 2.12 -0.02 -1.26 -2.40 135.00 139.68 3hfk n PRO 34 Ca 0.17 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3hfk n PRO 34 Cb 0.35 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.61 2.54 3.65 -1.23 0.00 -1.26 -3.74 105.19 107.76 3hfk n GLY 35 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 4.11 -0.01 0.99 2.96 -1.01 -4.31 118.68 121.41 3hfk s LEU 36 Ca 0.00 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.96 3hfk s LEU 36 Cb 0.00 -2.28 -0.26 0.00 0.50 0.00 0.00 46.19 44.16 3hfk s LEU 36 CO 0.00 -0.01 1.04 -0.74 -1.32 0.00 0.00 176.35 175.31 3hfk h HIS 37 N 7.58 0.60 -2.22 5.38 -0.00 -1.21 -3.45 115.15 121.84 3hfk h HIS 37 Ca -0.37 -0.36 -0.07 0.00 -0.00 0.00 0.00 60.37 59.58 3hfk h HIS 37 Cb 1.17 -0.06 -0.20 0.00 -0.00 0.00 0.00 27.41 28.32 3hfk h HIS 37 CO 0.69 1.20 0.07 0.21 -0.00 0.00 0.00 177.93 180.10 3hfk s LYS 38 N -2.97 0.90 0.01 5.26 2.20 -1.16 -4.98 119.74 119.00 3hfk s LYS 38 Ca -0.13 0.38 0.06 0.00 -0.36 0.00 0.00 55.97 55.92 3hfk s LYS 38 Cb 0.03 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 3hfk s LYS 38 CO 0.83 -0.23 -0.18 -0.47 -0.36 0.00 0.00 175.35 174.93 3hfk s TYR 39 N -0.74 1.59 -0.00 4.03 5.04 -1.26 -1.71 117.35 124.30 3hfk s TYR 39 Ca -0.08 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 3hfk s TYR 39 Cb -0.02 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.30 3hfk s TYR 39 CO 0.06 0.02 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.29 3hfk s GLU 40 N -0.79 0.09 -0.04 4.97 2.12 -0.36 -4.98 118.70 119.72 3hfk s GLU 40 Ca 0.06 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.38 3hfk s GLU 40 Cb -0.08 -0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.22 3hfk s GLU 40 CO 0.00 0.01 -0.07 0.54 -0.54 0.00 0.00 175.26 175.21 3hfk s VAL 41 N 0.05 0.67 0.04 3.70 0.11 -1.26 -0.42 120.40 123.29 3hfk s VAL 41 Ca -0.00 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 3hfk s VAL 41 Cb -0.01 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3hfk s VAL 41 CO -0.00 0.24 -0.07 0.00 -3.33 0.00 0.00 175.10 171.94 3hfk s ARG 42 N 0.63 0.52 0.54 1.54 1.70 -0.49 -5.00 118.95 118.38 3hfk s ARG 42 Ca -0.09 -0.77 -0.18 0.00 -0.47 0.00 0.00 55.73 54.21 3hfk s ARG 42 Cb -0.13 -0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 33.97 3hfk s ARG 42 CO 0.01 0.03 1.05 -0.51 -1.08 0.00 0.00 175.30 174.80 3hfk s LEU 43 N -1.66 3.67 -0.42 -1.89 1.43 -1.26 -0.92 118.68 117.63 3hfk s LEU 43 Ca -0.09 1.86 -0.27 0.00 -1.03 0.00 0.00 54.13 54.60 3hfk s LEU 43 Cb -0.09 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.61 3hfk s LEU 43 CO -0.00 -0.96 1.00 -0.69 0.23 0.00 0.00 176.35 175.92 3hfk s VAL 44 N -2.24 4.45 -0.14 -1.59 1.01 -0.61 -4.82 120.40 116.46 3hfk s VAL 44 Ca 0.65 1.14 0.21 0.00 0.00 0.00 0.00 61.98 63.98 3hfk s VAL 44 Cb -0.16 -4.44 -0.31 0.00 0.00 0.00 0.00 36.38 31.47 3hfk s VAL 44 CO 0.29 -0.73 0.51 0.00 0.00 0.00 0.00 175.10 175.16 3hfk n ALA 45 N 7.16 3.00 -3.18 5.51 0.00 -1.26 -4.92 120.51 126.82 3hfk n ALA 45 Ca 0.09 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 3hfk n ALA 45 Cb 0.48 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.25 -0.20 -0.55 0.00 0.00 -1.26 -5.08 107.32 95.98 3hfk s GLY 46 Ca -0.06 0.73 0.07 0.00 0.00 0.00 0.00 44.72 45.46 3hfk s GLY 46 CO 0.87 0.61 0.71 0.70 0.00 0.00 0.00 173.10 176.00 3hfk n ASN 47 N 2.72 2.71 -4.76 1.64 3.02 -1.26 -5.10 115.26 114.23 3hfk n ASN 47 Ca -0.14 -3.25 -0.41 0.00 -0.03 0.00 0.00 54.58 50.75 3hfk n ASN 47 Cb 0.58 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3hfk n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3hfk n PRO 48 N 0.81 2.56 0.00 3.52 -0.04 -1.26 -4.88 135.00 135.71 3hfk n PRO 48 Ca 0.27 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 3hfk n PRO 48 Cb 0.46 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3hfk n PRO 48 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hfk n THR 49 N 0.58 0.00 -0.62 0.52 -2.24 -1.26 -4.76 114.28 106.51 3hfk n THR 49 Ca 0.03 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.28 3hfk n THR 49 Cb 0.38 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 3hfk n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hfk n ASP 50 N -0.18 5.06 -4.80 3.42 2.03 -1.26 -4.82 116.55 116.00 3hfk n ASP 50 Ca 0.00 -2.37 -0.34 0.00 0.52 0.00 0.00 54.79 52.61 3hfk n ASP 50 Cb 0.02 -1.16 -0.03 0.00 -0.72 0.00 0.00 41.12 39.23 3hfk n ASP 50 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hfk s THR 51 N 0.39 3.81 -1.73 5.18 -4.23 -1.26 -4.97 115.64 112.83 3hfk s THR 51 Ca 0.19 1.09 0.27 0.00 -1.18 0.00 0.00 61.69 62.06 3hfk s THR 51 Cb 0.09 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.80 3hfk s THR 51 CO 0.00 -0.28 1.64 0.00 -0.54 0.00 0.00 174.62 175.45 3hfk n ALA 52 N -1.09 2.99 -2.56 3.99 0.00 -1.26 -4.77 120.51 117.82 3hfk n ALA 52 Ca 0.09 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 3hfk n ALA 52 Cb 0.53 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.49 1.94 0.16 0.00 -7.23 -1.26 -5.11 120.40 106.40 3hfk s VAL 53 Ca 0.25 -2.08 -0.34 0.00 -1.81 0.00 0.00 61.98 58.01 3hfk s VAL 53 Cb 0.19 -2.81 -0.14 0.00 0.56 0.00 0.00 36.38 34.18 3hfk s VAL 53 CO 0.51 -0.09 1.47 -2.65 -0.31 0.00 0.00 175.10 174.02 3hfk n PRO 54 N -0.84 1.86 -2.38 4.82 -0.02 -1.26 -4.91 135.00 132.27 3hfk n PRO 54 Ca -0.05 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3hfk n PRO 54 Cb 0.66 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.55 3.41 -0.22 6.00 5.04 -1.26 -5.03 117.35 125.84 3hfk s TYR 55 Ca 0.77 1.25 -0.13 0.00 -2.44 0.00 0.00 57.07 56.53 3hfk s TYR 55 Cb -0.74 -3.46 -0.05 0.00 0.35 0.00 0.00 41.96 38.06 3hfk s TYR 55 CO 0.43 -1.46 0.27 -1.17 -1.34 0.00 0.00 175.55 172.28 3hfk s LEU 56 N 0.97 4.14 -0.32 6.97 2.96 -1.26 -5.07 118.68 127.07 3hfk s LEU 56 Ca 0.59 0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.70 3hfk s LEU 56 Cb -0.31 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 3hfk s LEU 56 CO 0.30 0.01 0.22 -0.62 -1.32 0.00 0.00 176.35 174.94 3hfk s ASP 57 N 0.98 5.99 -0.03 3.68 -1.08 -1.26 -4.92 116.67 120.03 3hfk s ASP 57 Ca 0.13 -0.32 0.05 0.00 -0.52 0.00 0.00 52.55 51.90 3hfk s ASP 57 Cb -0.14 -2.12 0.12 0.00 -1.46 0.00 0.00 42.92 39.33 3hfk s ASP 57 CO 0.06 -0.18 1.09 1.33 0.52 0.00 0.00 175.17 177.98 3hfk n VAL 58 N 5.08 1.19 -2.04 1.11 0.24 -1.26 -5.12 118.33 117.53 3hfk n VAL 58 Ca -0.13 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 3hfk n VAL 58 Cb 0.50 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 -0.46 -1.78 3.54 7.63 0.00 -1.26 -4.78 105.19 108.09 3hfk n GLY 59 Ca 0.05 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 0.00 3.48 -0.19 1.61 3.52 -1.26 -5.04 118.95 121.06 3hfk s ARG 60 Ca 0.00 -0.17 -0.10 0.00 -0.13 0.00 0.00 55.73 55.34 3hfk s ARG 60 Cb 0.00 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 3hfk s ARG 60 CO 0.00 -0.87 0.12 0.42 -0.81 0.00 0.00 175.30 174.16 3hfk s ILE 61 N 2.75 5.35 -0.10 4.11 -1.09 -1.26 -4.83 121.20 126.14 3hfk s ILE 61 Ca 0.23 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 3hfk s ILE 61 Cb -0.14 -3.44 -0.24 0.00 -1.58 0.00 0.00 42.46 37.06 3hfk s ILE 61 CO 0.17 0.45 0.46 0.47 -1.23 0.00 0.00 174.94 175.25 3hfk n ASP 62 N 3.46 1.47 -3.88 3.58 8.00 -0.15 -4.62 116.55 124.40 3hfk n ASP 62 Ca -0.16 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3hfk n ASP 62 Cb 0.52 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.20 -0.10 2.24 0.00 -0.94 -1.58 121.76 118.61 3hfk s ALA 63 Ca -0.15 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3hfk s ALA 63 Cb 0.07 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3hfk s ALA 63 CO 0.79 -0.60 -0.23 0.42 0.00 0.00 0.00 175.76 176.15 3hfk s ILE 64 N -3.91 1.96 0.28 0.00 -1.09 -0.10 -0.50 121.20 117.85 3hfk s ILE 64 Ca 0.11 -0.96 0.11 0.00 -2.23 0.00 0.00 60.65 57.68 3hfk s ILE 64 Cb 0.04 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 39.16 3hfk s ILE 64 CO -0.05 0.54 -0.13 -0.83 -1.23 0.00 0.00 174.94 173.23 3hfk s GLY 65 N 0.42 1.84 -0.22 6.18 0.00 0.01 -1.40 107.32 114.16 3hfk s GLY 65 Ca -0.17 -1.83 -0.17 0.00 0.00 0.00 0.00 44.72 42.55 3hfk s GLY 65 CO 0.07 -1.90 0.57 1.85 0.00 0.00 0.00 173.10 173.69 3hfk s GLU 66 N -3.57 0.63 0.02 2.90 2.12 0.44 0.14 118.70 121.38 3hfk s GLU 66 Ca 0.31 0.90 0.07 0.00 0.36 0.00 0.00 54.97 56.61 3hfk s GLU 66 Cb -0.05 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 3hfk s GLU 66 CO 0.17 -0.11 -0.21 0.00 -0.54 0.00 0.00 175.26 174.57 3hfk s TRP 68 N -0.82 2.30 -0.03 0.00 0.51 -0.69 -1.34 118.94 118.87 3hfk s TRP 68 Ca 0.13 -0.65 0.02 0.00 -2.12 0.00 0.00 56.10 53.47 3hfk s TRP 68 Cb -0.10 -1.51 0.01 0.00 -0.81 0.00 0.00 33.47 31.05 3hfk s TRP 68 CO 0.03 -0.19 -0.08 -0.06 -0.51 0.00 0.00 176.95 176.14 3hfk s PHE 69 N -0.19 0.94 0.47 -1.98 0.08 0.61 -0.65 117.98 117.27 3hfk s PHE 69 Ca -0.02 -0.25 0.15 0.00 0.12 0.00 0.00 56.93 56.93 3hfk s PHE 69 Cb -0.13 -0.70 1.10 0.00 -0.57 0.00 0.00 43.02 42.72 3hfk s PHE 69 CO 0.03 -0.13 2.05 0.00 -0.10 0.00 0.00 175.22 177.07 3hfk h ALA 70 N 6.58 1.79 -2.69 5.36 0.00 -1.86 0.12 119.26 128.56 3hfk h ALA 70 Ca -0.34 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3hfk h ALA 70 Cb 1.17 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3hfk h ALA 70 CO 0.48 0.15 0.34 -1.54 0.00 0.00 0.00 179.25 178.68 3hfk s SER 71 N -7.01 -0.39 0.48 0.00 1.04 -1.26 -4.46 113.70 102.09 3hfk s SER 71 Ca -0.04 -0.17 0.14 0.00 0.48 0.00 0.00 55.95 56.36 3hfk s SER 71 Cb 0.16 0.54 1.11 0.00 0.10 0.00 0.00 66.02 67.93 3hfk s SER 71 CO 0.69 -0.93 2.07 1.05 0.98 0.00 0.00 173.24 177.10 3hfk h GLU 72 N 2.00 0.06 -0.59 4.02 4.11 -1.90 -2.25 114.58 120.03 3hfk h GLU 72 Ca -0.26 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.10 3hfk h GLU 72 Cb 1.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hfk h GLU 72 CO 0.31 0.12 0.15 0.93 0.07 0.00 0.00 179.01 180.60 3hfk h GLU 73 N 0.06 0.94 -0.60 1.06 3.07 -2.00 -2.09 114.58 115.03 3hfk h GLU 73 Ca 0.01 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.56 3hfk h GLU 73 Cb 0.14 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3hfk h GLU 73 CO 0.01 0.86 0.01 1.96 -1.40 0.00 0.00 179.01 180.46 3hfk h GLN 74 N 0.86 1.04 -0.81 2.33 1.08 -1.79 -1.83 115.11 116.00 3hfk h GLN 74 Ca 0.19 -0.33 0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3hfk h GLN 74 Cb 0.34 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.61 3hfk h GLN 74 CO 0.00 1.02 0.50 -0.92 -0.95 0.00 0.00 178.83 178.48 3hfk h TYR 75 N 0.94 0.92 -0.37 2.96 3.20 -1.18 0.22 116.97 123.66 3hfk h TYR 75 Ca 0.17 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 3hfk h TYR 75 Cb 0.54 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3hfk h TYR 75 CO 0.04 0.49 -0.23 1.96 -1.64 0.00 0.00 178.16 178.77 3hfk h GLN 76 N 0.93 0.75 -0.06 1.82 1.08 -1.00 0.15 115.11 118.78 3hfk h GLN 76 Ca 0.34 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3hfk h GLN 76 Cb 0.12 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3hfk h GLN 76 CO -0.15 0.91 0.04 0.28 -0.95 0.00 0.00 178.83 178.96 3hfk h VAL 77 N 0.65 1.02 -0.10 -0.54 2.07 -0.48 -1.78 116.25 117.09 3hfk h VAL 77 Ca 0.09 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.62 3hfk h VAL 77 Cb 0.74 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3hfk h VAL 77 CO 0.06 0.02 -0.34 0.22 0.02 0.00 0.00 177.57 177.55 3hfk h TYR 78 N 0.09 -0.94 -0.62 1.57 3.20 -0.77 -2.02 116.97 117.48 3hfk h TYR 78 Ca 0.02 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.05 3hfk h TYR 78 Cb -0.01 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3hfk h TYR 78 CO -0.07 -0.42 0.42 0.52 -1.64 0.00 0.00 178.16 176.97 3hfk h MET 79 N -0.43 0.32 0.00 1.82 2.86 -0.70 -2.19 114.93 116.61 3hfk h MET 79 Ca 0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3hfk h MET 79 Cb 0.56 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3hfk h MET 79 CO -0.34 0.21 -0.46 0.39 1.06 0.00 0.00 176.91 177.77 3hfk n GLU 80 N -4.46 0.15 -2.14 1.72 1.02 -0.69 -4.88 120.64 111.36 3hfk n GLU 80 Ca 0.11 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 3hfk n GLU 80 Cb 0.45 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.65 6.80 0.17 1.62 0.15 -0.80 -4.95 113.70 113.05 3hfk s SER 81 Ca 0.09 2.51 -0.10 0.00 0.70 0.00 0.00 55.95 59.15 3hfk s SER 81 Cb 0.15 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 3hfk s SER 81 CO 0.68 -0.60 1.61 0.44 1.20 0.00 0.00 173.24 176.57 3hfk h ASP 82 N 5.24 1.03 0.03 5.45 3.32 -1.91 -2.44 116.42 127.14 3hfk h ASP 82 Ca -0.45 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 56.17 3hfk h ASP 82 Cb 1.22 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3hfk h ASP 82 CO 0.77 1.12 -0.28 -0.29 -1.72 0.00 0.00 179.24 178.84 3hfk h ILE 83 N 0.92 1.27 -0.38 0.35 6.09 -1.95 -1.90 117.51 121.91 3hfk h ILE 83 Ca 0.15 -1.29 0.04 0.00 -1.37 0.00 0.00 64.86 62.39 3hfk h ILE 83 Cb 0.63 1.43 -0.04 0.00 0.47 0.00 0.00 36.82 39.31 3hfk h ILE 83 CO 0.04 0.40 0.15 -0.09 -3.07 0.00 0.00 178.15 175.59 3hfk h ARG 84 N 0.35 0.31 -1.00 2.19 1.12 -1.82 -0.44 114.38 115.09 3hfk h ARG 84 Ca 0.05 -0.02 0.06 0.00 -1.11 0.00 0.00 59.98 58.96 3hfk h ARG 84 Cb 0.68 -0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 30.51 3hfk h ARG 84 CO 0.05 0.20 0.65 0.87 -3.11 0.00 0.00 179.97 178.64 3hfk h LYS 85 N 0.32 1.16 -0.46 0.20 1.57 -0.92 -0.83 116.57 117.60 3hfk h LYS 85 Ca 0.17 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 3hfk h LYS 85 Cb 0.13 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3hfk h LYS 85 CO -0.16 0.77 -0.26 0.00 -0.57 0.00 0.00 179.45 179.24 3hfk h ALA 86 N 1.45 0.66 -0.72 3.86 0.00 -0.99 -2.29 119.26 121.23 3hfk h ALA 86 Ca 0.43 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hfk h ALA 86 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hfk h ALA 86 CO -0.16 0.68 0.45 2.35 0.00 0.00 0.00 179.25 182.57 3hfk h TRP 87 N 0.84 0.85 -0.05 0.00 7.01 -0.63 -2.26 115.95 121.72 3hfk h TRP 87 Ca 0.10 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 3hfk h TRP 87 Cb 0.84 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3hfk h TRP 87 CO 0.06 0.49 -0.21 0.74 -2.79 0.00 0.00 178.44 176.72 3hfk h PHE 88 N 0.89 0.09 -0.70 2.65 -1.00 -0.95 -1.21 116.94 116.71 3hfk h PHE 88 Ca 0.29 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 3hfk h PHE 88 Cb 0.02 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 3hfk h PHE 88 CO -0.04 0.30 0.15 0.93 -1.61 0.00 0.00 178.31 178.04 3hfk h GLU 89 N 0.08 1.14 -0.88 1.51 4.39 -0.88 -0.30 114.58 119.63 3hfk h GLU 89 Ca 0.01 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 3hfk h GLU 89 Cb 0.42 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3hfk h GLU 89 CO 0.03 1.01 0.50 1.25 -1.16 0.00 0.00 179.01 180.65 3hfk h HIS 90 N 1.07 1.19 -0.88 4.33 2.76 -0.72 -2.13 115.15 120.76 3hfk h HIS 90 Ca 0.22 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.52 3hfk h HIS 90 Cb 0.40 -0.38 -0.10 0.00 1.55 0.00 0.00 27.41 28.88 3hfk h HIS 90 CO 0.03 0.81 0.47 0.78 -1.30 0.00 0.00 177.93 178.73 3hfk h GLY 91 N 1.22 1.47 2.00 5.26 0.00 -0.12 -0.62 103.07 112.27 3hfk h GLY 91 Ca 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3hfk h GLY 91 CO -0.05 -0.04 -0.13 0.50 0.00 0.00 0.00 176.54 176.81 3hfk h LYS 92 N 0.66 0.00 -0.09 4.80 1.57 -0.41 0.04 116.57 123.13 3hfk h LYS 92 Ca 0.49 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.05 3hfk h LYS 92 Cb 0.70 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.02 3hfk h LYS 92 CO -0.37 0.13 -0.80 -0.92 -0.57 0.00 0.00 179.45 176.92 3hfk h TYR 93 N 0.00 0.99 -0.01 -1.35 3.20 -1.01 -3.38 116.97 115.41 3hfk h TYR 93 Ca -0.00 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3hfk h TYR 93 Cb 0.38 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3hfk h TYR 93 CO 0.00 1.30 -0.10 1.97 -1.64 0.00 0.00 178.16 179.69 3hfk n PHE 94 N -3.98 0.00 -3.96 -3.82 -1.74 -1.04 -4.87 117.46 98.05 3hfk n PHE 94 Ca -0.09 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.46 3hfk n PHE 94 Cb 0.76 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.62 3hfk n PHE 94 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3hfk s ILE 95 N -1.00 2.71 0.04 1.97 1.01 -0.03 -4.23 121.20 121.68 3hfk s ILE 95 Ca 0.09 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.03 3hfk s ILE 95 Cb 0.07 -2.61 -0.27 0.00 0.01 0.00 0.00 42.46 39.66 3hfk s ILE 95 CO 0.17 -0.14 1.11 1.23 0.00 0.00 0.00 174.94 177.31 3hfk h GLY 96 N 7.91 0.67 -5.29 6.18 0.00 -0.98 -3.43 103.07 108.13 3hfk h GLY 96 Ca -0.19 -1.32 -0.19 0.00 0.00 0.00 0.00 47.33 45.63 3hfk h GLY 96 CO 0.52 1.16 -0.59 1.20 0.00 0.00 0.00 176.54 178.82 3hfk s GLN 97 N -3.06 0.20 -0.01 4.80 -0.21 -1.00 -4.93 119.66 115.45 3hfk s GLN 97 Ca -0.10 -0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.25 3hfk s GLN 97 Cb 0.05 0.09 0.00 0.00 1.00 0.00 0.00 33.01 34.15 3hfk s GLN 97 CO 0.91 -0.04 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.82 3hfk s LEU 98 N -0.38 1.82 -0.23 2.90 2.96 -1.26 -1.03 118.68 123.46 3hfk s LEU 98 Ca -0.04 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3hfk s LEU 98 Cb -0.03 -0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.37 3hfk s LEU 98 CO 0.00 0.04 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.21 3hfk s LYS 99 N 0.14 2.24 0.07 1.98 2.47 -0.57 -4.98 119.74 121.09 3hfk s LYS 99 Ca -0.01 -1.12 -0.17 0.00 -1.56 0.00 0.00 55.97 53.11 3hfk s LYS 99 Cb -0.06 -2.70 -0.06 0.00 -1.46 0.00 0.00 37.83 33.55 3hfk s LYS 99 CO -0.00 -0.49 0.52 -2.14 0.16 0.00 0.00 175.35 173.40 3hfk s PRO 100 N 1.23 4.09 -0.15 4.03 0.02 -1.26 -0.79 135.00 142.16 3hfk s PRO 100 Ca -0.05 0.61 0.02 0.00 0.02 0.00 0.00 61.00 61.60 3hfk s PRO 100 Cb -0.18 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.17 3hfk s PRO 100 CO -0.07 0.63 -0.20 -0.06 -0.33 0.00 0.00 177.00 176.97 3hfk s PHE 101 N -1.16 2.59 -0.24 6.54 0.08 0.19 -4.99 117.98 120.99 3hfk s PHE 101 Ca 0.29 -1.41 -0.21 0.00 0.12 0.00 0.00 56.93 55.72 3hfk s PHE 101 Cb -0.18 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3hfk s PHE 101 CO 0.18 -0.68 0.66 0.08 -0.10 0.00 0.00 175.22 175.36 3hfk s VAL 102 N 1.08 4.96 0.39 -0.44 1.01 -1.26 -1.33 120.40 124.81 3hfk s VAL 102 Ca -0.01 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.24 3hfk s VAL 102 Cb -0.14 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3hfk s VAL 102 CO -0.07 0.02 0.55 0.42 0.00 0.00 0.00 175.10 176.02 3hfk s THR 103 N 2.47 3.59 -0.03 3.92 -4.23 -0.68 -5.03 115.64 115.66 3hfk s THR 103 Ca 0.28 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 3hfk s THR 103 Cb -0.15 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.45 3hfk s THR 103 CO 0.09 -0.11 -0.05 -0.70 -0.54 0.00 0.00 174.62 173.31 3hfk s GLU 104 N -4.31 0.69 0.56 3.99 2.12 -1.26 -4.61 118.70 115.87 3hfk s GLU 104 Ca 0.50 -0.15 -0.17 0.00 0.36 0.00 0.00 54.97 55.50 3hfk s GLU 104 Cb -0.10 -0.69 -0.05 0.00 0.26 0.00 0.00 34.13 33.55 3hfk s GLU 104 CO 0.33 0.01 1.06 -1.21 -0.54 0.00 0.00 175.26 174.91 3hfk s GLU 105 N 0.46 3.47 -0.02 4.30 0.41 -1.26 -4.98 118.70 121.08 3hfk s GLU 105 Ca -0.06 1.27 0.02 0.00 -0.41 0.00 0.00 54.97 55.79 3hfk s GLU 105 Cb -0.10 -2.05 -0.03 0.00 -1.78 0.00 0.00 34.13 30.18 3hfk s GLU 105 CO -0.00 -0.69 0.01 1.28 -0.49 0.00 0.00 175.26 175.37 3hfk n LEU 106 N -1.66 0.00 0.00 1.80 4.77 -1.26 -5.25 117.00 115.41 3hfk n LEU 106 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hfk n LEU 106 Cb 0.53 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3hfk n LEU 106 CO 0.45 0.04 0.15 1.33 -1.33 0.00 0.00 177.39 178.02