#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf5 n GLY -1 N 0.00 -0.51 3.90 8.31 0.00 -1.26 -4.97 105.19 110.66 3hf5 n GLY -1 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3hf5 n GLY -1 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hf5 s ARG 0 N -5.20 2.74 0.39 1.61 1.81 -1.26 -5.02 118.95 114.01 3hf5 s ARG 0 Ca 0.07 0.22 -0.26 0.00 -1.72 0.00 0.00 55.73 54.03 3hf5 s ARG 0 Cb -0.03 -2.11 -0.09 0.00 -0.45 0.00 0.00 34.95 32.27 3hf5 s ARG 0 CO 0.09 -1.00 1.30 1.41 -0.68 0.00 0.00 175.30 176.42 3hf5 s MET 1 N -5.25 4.05 -0.04 3.54 1.75 -1.26 -4.82 119.30 117.26 3hf5 s MET 1 Ca 0.57 2.16 -0.30 0.00 -1.25 0.00 0.00 55.69 56.87 3hf5 s MET 1 Cb -0.11 -2.82 -0.03 0.00 2.84 0.00 0.00 34.83 34.71 3hf5 s MET 1 CO 0.49 -0.43 1.15 0.42 -0.65 0.00 0.00 175.02 176.00 3hf5 s ILE 2 N -1.24 4.36 -0.03 10.11 1.01 0.03 -4.90 121.20 130.53 3hf5 s ILE 2 Ca 0.55 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.92 3hf5 s ILE 2 Cb -0.38 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.01 3hf5 s ILE 2 CO 0.49 0.03 -0.16 -0.13 0.00 0.00 0.00 174.94 175.18 3hf5 s ARG 3 N 1.89 1.54 -0.11 2.79 0.52 -1.26 -0.33 118.95 123.98 3hf5 s ARG 3 Ca 0.55 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.22 3hf5 s ARG 3 Cb -0.24 -1.38 0.02 0.00 0.52 0.00 0.00 34.95 33.87 3hf5 s ARG 3 CO 0.23 0.25 -0.13 0.42 0.02 0.00 0.00 175.30 176.09 3hf5 s ILE 4 N -0.04 1.35 0.08 1.52 1.01 -0.59 -1.57 121.20 122.96 3hf5 s ILE 4 Ca -0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 3hf5 s ILE 4 Cb -0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 3hf5 s ILE 4 CO 0.01 0.41 0.32 -0.22 0.00 0.00 0.00 174.94 175.46 3hf5 s LEU 5 N 1.18 4.32 -0.02 2.97 0.20 0.05 -1.05 118.68 126.33 3hf5 s LEU 5 Ca -0.03 0.54 0.02 0.00 0.69 0.00 0.00 54.13 55.35 3hf5 s LEU 5 Cb -0.14 -3.02 0.01 0.00 -0.43 0.00 0.00 46.19 42.61 3hf5 s LEU 5 CO -0.04 0.15 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.80 3hf5 s TYR 6 N -1.50 0.70 -0.17 5.38 2.02 0.10 -0.29 117.35 123.60 3hf5 s TYR 6 Ca 0.35 -0.16 -0.15 0.00 -0.37 0.00 0.00 57.07 56.73 3hf5 s TYR 6 Cb -0.13 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 3hf5 s TYR 6 CO 0.22 -0.10 0.37 -0.51 -1.57 0.00 0.00 175.55 173.96 3hf5 s LEU 7 N 0.36 4.21 -0.07 -1.29 1.43 -0.16 -0.87 118.68 122.29 3hf5 s LEU 7 Ca -0.05 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3hf5 s LEU 7 Cb -0.09 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3hf5 s LEU 7 CO 0.00 0.00 -0.11 -0.76 0.23 0.00 0.00 176.35 175.72 3hf5 s LEU 8 N 0.89 2.93 -0.10 1.79 1.02 -0.05 -1.35 118.68 123.82 3hf5 s LEU 8 Ca 0.19 -0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.25 3hf5 s LEU 8 Cb -0.14 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.45 3hf5 s LEU 8 CO 0.07 0.33 -0.23 -0.69 0.02 0.00 0.00 176.35 175.85 3hf5 s VAL 9 N -0.64 2.02 0.83 -1.59 1.01 -0.38 -0.66 120.40 120.99 3hf5 s VAL 9 Ca 0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3hf5 s VAL 9 Cb -0.11 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.60 3hf5 s VAL 9 CO 0.01 0.55 1.09 -1.59 0.00 0.00 0.00 175.10 175.17 3hf5 s LYS 10 N 0.39 1.77 0.46 2.72 -2.85 -1.26 -0.03 119.74 120.95 3hf5 s LYS 10 Ca -0.18 1.06 -0.23 0.00 -1.00 0.00 0.00 55.97 55.62 3hf5 s LYS 10 Cb -0.18 -1.85 -0.07 0.00 -2.06 0.00 0.00 37.83 33.67 3hf5 s LYS 10 CO 0.08 -1.95 1.20 -2.14 0.10 0.00 0.00 175.35 172.64 3hf5 s PRO 11 N -4.89 3.72 0.49 1.78 0.02 -1.26 -4.22 135.00 130.64 3hf5 s PRO 11 Ca 0.62 1.86 0.14 0.00 0.02 0.00 0.00 61.00 63.65 3hf5 s PRO 11 Cb -0.18 -2.43 1.18 0.00 0.02 0.00 0.00 34.50 33.08 3hf5 s PRO 11 CO 0.57 -0.61 2.12 1.05 -0.33 0.00 0.00 177.00 179.80 3hf5 h GLU 12 N 2.06 0.11 0.00 5.54 -0.00 -1.98 -1.78 114.58 118.54 3hf5 h GLU 12 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 3hf5 h GLU 12 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 3hf5 h GLU 12 CO 0.60 0.08 0.00 -1.13 -0.00 0.00 0.00 179.01 178.56 3hf5 n SER 13 N -4.52 0.00 -4.73 3.06 3.41 -1.26 -4.77 113.62 104.81 3hf5 n SER 13 Ca -0.02 0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.36 3hf5 n SER 13 Cb 0.09 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 3hf5 n SER 13 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hf5 s MET 14 N -2.75 3.50 0.71 4.33 -2.45 -0.67 -5.08 119.30 116.89 3hf5 s MET 14 Ca 0.22 -0.29 -0.11 0.00 -1.25 0.00 0.00 55.69 54.26 3hf5 s MET 14 Cb 0.20 -3.09 0.02 0.00 1.25 0.00 0.00 34.83 33.21 3hf5 s MET 14 CO 0.49 0.57 1.07 -1.54 1.05 0.00 0.00 175.02 176.66 3hf5 s SER 15 N -0.48 5.13 0.22 1.11 1.04 -1.26 -4.79 113.70 114.67 3hf5 s SER 15 Ca 0.10 1.72 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 3hf5 s SER 15 Cb -0.12 -2.51 0.28 0.00 0.10 0.00 0.00 66.02 63.78 3hf5 s SER 15 CO 0.02 -1.61 1.83 0.45 0.98 0.00 0.00 173.24 174.91 3hf5 h HIS 16 N -0.70 0.83 -0.59 5.02 3.86 -1.97 -0.42 115.15 121.18 3hf5 h HIS 16 Ca -0.44 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 58.74 3hf5 h HIS 16 Cb 1.22 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 3hf5 h HIS 16 CO 0.60 0.41 0.15 1.49 0.86 0.00 0.00 177.93 181.45 3hf5 h GLU 17 N 0.83 0.94 -0.75 2.45 4.57 -2.00 -1.49 114.58 119.14 3hf5 h GLU 17 Ca 0.33 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3hf5 h GLU 17 Cb 0.17 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3hf5 h GLU 17 CO -0.17 0.86 0.33 0.37 -1.18 0.00 0.00 179.01 179.22 3hf5 h GLN 18 N 0.86 1.08 -0.61 1.92 5.75 -1.84 -1.86 115.11 120.40 3hf5 h GLN 18 Ca 0.19 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3hf5 h GLN 18 Cb 0.34 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 3hf5 h GLN 18 CO 0.00 0.85 0.23 0.35 -2.65 0.00 0.00 178.83 177.61 3hf5 h PHE 19 N 1.07 0.95 -0.71 3.99 3.57 -0.70 0.68 116.94 125.79 3hf5 h PHE 19 Ca 0.25 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3hf5 h PHE 19 Cb 0.15 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3hf5 h PHE 19 CO 0.01 0.76 0.40 -0.09 -2.23 0.00 0.00 178.31 177.16 3hf5 h ARG 20 N 0.86 0.99 -0.70 1.11 2.43 -0.99 -0.24 114.38 117.85 3hf5 h ARG 20 Ca 0.20 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hf5 h ARG 20 Cb 0.23 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3hf5 h ARG 20 CO -0.01 0.73 0.45 0.87 -1.51 0.00 0.00 179.97 180.50 3hf5 h LYS 21 N 0.98 0.93 0.00 0.20 1.57 -0.67 -2.39 116.57 117.19 3hf5 h LYS 21 Ca 0.25 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3hf5 h LYS 21 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3hf5 h LYS 21 CO -0.04 0.63 -0.47 0.93 -0.57 0.00 0.00 179.45 179.93 3hf5 h GLU 22 N 0.95 0.00 -0.64 3.15 4.39 -0.33 -1.34 114.58 120.76 3hf5 h GLU 22 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3hf5 h GLU 22 Cb -0.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3hf5 h GLU 22 CO -0.05 0.47 0.35 0.00 -1.16 0.00 0.00 179.01 178.62 3hf5 h VAL 24 N 0.87 1.25 -0.60 0.00 2.07 -1.05 -0.82 116.25 117.97 3hf5 h VAL 24 Ca 0.22 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3hf5 h VAL 24 Cb 0.04 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3hf5 h VAL 24 CO -0.04 0.32 0.40 0.58 0.02 0.00 0.00 177.57 178.85 3hf5 h VAL 25 N 0.57 1.14 -0.82 2.57 2.07 -1.01 -0.31 116.25 120.46 3hf5 h VAL 25 Ca 0.13 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3hf5 h VAL 25 Cb 0.41 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3hf5 h VAL 25 CO 0.01 0.15 0.53 -0.74 0.02 0.00 0.00 177.57 177.54 3hf5 h HIS 26 N 0.80 0.99 -0.27 1.57 2.76 -0.26 0.90 115.15 121.65 3hf5 h HIS 26 Ca 0.22 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3hf5 h HIS 26 Cb -0.08 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.54 3hf5 h HIS 26 CO -0.04 0.57 0.13 0.35 -1.30 0.00 0.00 177.93 177.65 3hf5 h PHE 27 N 1.03 0.38 -0.60 5.26 3.57 -0.59 -2.74 116.94 123.25 3hf5 h PHE 27 Ca 0.33 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 3hf5 h PHE 27 Cb 0.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3hf5 h PHE 27 CO -0.03 0.35 0.26 1.96 -2.23 0.00 0.00 178.31 178.62 3hf5 h GLN 28 N 0.31 0.86 -0.39 1.11 4.20 -0.23 -1.84 115.11 119.11 3hf5 h GLN 28 Ca 0.09 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3hf5 h GLN 28 Cb 0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3hf5 h GLN 28 CO -0.01 0.68 0.26 0.52 -0.67 0.00 0.00 178.83 179.61 3hf5 h MET 29 N 0.85 0.44 0.00 1.46 2.86 -0.73 -2.88 114.93 116.93 3hf5 h MET 29 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hf5 h MET 29 Cb 0.13 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3hf5 h MET 29 CO -0.02 0.29 0.00 -1.13 1.06 0.00 0.00 176.91 177.11 3hf5 n SER 30 N -4.48 0.57 -4.70 1.22 3.41 -0.69 -4.78 113.62 104.16 3hf5 n SER 30 Ca 0.03 0.60 -0.44 0.00 -0.26 0.00 0.00 58.87 58.81 3hf5 n SER 30 Cb 0.12 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 3hf5 n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf5 n ALA 31 N -1.72 2.08 -1.45 7.33 0.00 -1.09 -1.81 120.51 123.85 3hf5 n ALA 31 Ca 0.04 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 3hf5 n ALA 31 Cb 0.30 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.26 3hf5 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf5 n GLY 32 N 3.18 1.55 3.73 0.00 0.00 -1.26 -4.95 105.19 107.45 3hf5 n GLY 32 Ca 0.14 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3hf5 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hf5 s MET 33 N -3.28 4.39 0.24 1.61 0.00 -0.75 -4.90 119.30 116.61 3hf5 s MET 33 Ca 0.00 2.02 -0.31 0.00 0.00 0.00 0.00 55.69 57.40 3hf5 s MET 33 Cb 0.00 -3.22 -0.14 0.00 0.00 0.00 0.00 34.83 31.47 3hf5 s MET 33 CO 0.00 -0.27 1.26 -2.30 0.00 0.00 0.00 175.02 173.71 3hf5 n PRO 34 N 2.95 1.69 0.00 4.11 -0.02 -1.26 -1.88 135.00 140.59 3hf5 n PRO 34 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3hf5 n PRO 34 Cb 0.43 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3hf5 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hf5 n GLY 35 N 1.82 2.36 3.65 -1.23 0.00 -1.26 -3.64 105.19 106.89 3hf5 n GLY 35 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3hf5 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hf5 s LEU 36 N 0.00 4.12 -0.02 0.99 2.96 -0.79 -4.40 118.68 121.54 3hf5 s LEU 36 Ca 0.00 0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 54.24 3hf5 s LEU 36 Cb 0.00 -2.58 -0.33 0.00 0.50 0.00 0.00 46.19 43.78 3hf5 s LEU 36 CO 0.00 -0.16 0.93 -0.74 -1.32 0.00 0.00 176.35 175.06 3hf5 h HIS 37 N 7.63 0.71 -2.35 5.38 -0.00 -1.08 -3.44 115.15 122.00 3hf5 h HIS 37 Ca -0.33 -0.52 -0.08 0.00 -0.00 0.00 0.00 60.37 59.44 3hf5 h HIS 37 Cb 1.16 -0.03 -0.22 0.00 -0.00 0.00 0.00 27.41 28.32 3hf5 h HIS 37 CO 0.71 1.41 -0.02 0.21 -0.00 0.00 0.00 177.93 180.24 3hf5 s LYS 38 N -2.49 0.74 -0.02 5.26 2.20 -1.17 -4.98 119.74 119.28 3hf5 s LYS 38 Ca -0.12 0.60 0.06 0.00 -0.36 0.00 0.00 55.97 56.15 3hf5 s LYS 38 Cb 0.02 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 3hf5 s LYS 38 CO 0.87 -0.14 -0.19 -0.47 -0.36 0.00 0.00 175.35 175.07 3hf5 s TYR 39 N -0.13 1.69 -0.01 4.03 5.04 -1.26 -1.09 117.35 125.62 3hf5 s TYR 39 Ca -0.03 -0.34 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 3hf5 s TYR 39 Cb -0.03 -1.09 -0.00 0.00 0.35 0.00 0.00 41.96 41.18 3hf5 s TYR 39 CO 0.03 -0.05 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.13 3hf5 s GLU 40 N -0.38 0.56 -0.01 4.97 2.12 -0.46 -4.99 118.70 120.51 3hf5 s GLU 40 Ca 0.06 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.17 3hf5 s GLU 40 Cb -0.08 -0.55 0.01 0.00 0.26 0.00 0.00 34.13 33.77 3hf5 s GLU 40 CO -0.00 0.13 -0.04 0.54 -0.54 0.00 0.00 175.26 175.35 3hf5 s VAL 41 N -0.08 0.36 0.02 3.70 0.11 -1.26 -0.83 120.40 122.42 3hf5 s VAL 41 Ca 0.02 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 3hf5 s VAL 41 Cb -0.03 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 3hf5 s VAL 41 CO -0.00 0.13 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.72 3hf5 s ARG 42 N 0.24 0.35 0.52 1.54 0.52 -0.31 -4.98 118.95 116.83 3hf5 s ARG 42 Ca -0.02 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 54.57 3hf5 s ARG 42 Cb -0.06 -0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.16 3hf5 s ARG 42 CO -0.00 0.03 1.01 -0.51 0.02 0.00 0.00 175.30 175.85 3hf5 s LEU 43 N -0.90 3.68 -0.36 2.53 1.43 -1.26 -0.38 118.68 123.42 3hf5 s LEU 43 Ca -0.07 1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 54.49 3hf5 s LEU 43 Cb -0.06 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.65 3hf5 s LEU 43 CO -0.00 -0.75 1.00 -0.69 0.23 0.00 0.00 176.35 176.14 3hf5 s VAL 44 N -2.39 4.52 -0.13 -1.59 1.01 -0.51 -4.80 120.40 116.51 3hf5 s VAL 44 Ca 0.62 1.41 0.18 0.00 0.00 0.00 0.00 61.98 64.19 3hf5 s VAL 44 Cb -0.13 -4.39 -0.26 0.00 0.00 0.00 0.00 36.38 31.60 3hf5 s VAL 44 CO 0.28 -0.56 0.21 0.00 0.00 0.00 0.00 175.10 175.03 3hf5 n ALA 45 N 6.91 1.98 -3.19 5.51 0.00 -1.26 -4.91 120.51 125.55 3hf5 n ALA 45 Ca 0.09 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 3hf5 n ALA 45 Cb 0.48 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 3hf5 n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf5 s GLY 46 N -4.98 -0.19 -0.46 0.00 0.00 -1.26 -5.09 107.32 95.35 3hf5 s GLY 46 Ca -0.09 0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.01 3hf5 s GLY 46 CO 0.80 0.08 0.59 0.70 0.00 0.00 0.00 173.10 175.28 3hf5 n ASN 47 N 0.98 1.25 -4.76 1.64 3.02 -1.26 -5.12 115.26 111.01 3hf5 n ASN 47 Ca -0.20 -2.92 -0.35 0.00 -0.03 0.00 0.00 54.58 51.07 3hf5 n ASN 47 Cb 0.57 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 3hf5 n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hf5 s PRO 48 N -1.60 3.09 0.00 3.52 0.04 -1.26 -4.95 135.00 133.85 3hf5 s PRO 48 Ca 0.37 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3hf5 s PRO 48 Cb 0.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3hf5 s PRO 48 CO -0.08 -1.08 0.42 0.25 0.04 0.00 0.00 177.00 176.55 3hf5 n THR 49 N -1.57 0.00 -1.48 1.26 -2.24 -1.26 -4.82 114.28 104.18 3hf5 n THR 49 Ca 0.13 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 3hf5 n THR 49 Cb 0.50 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 3hf5 n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf5 n ASP 50 N -0.11 7.24 0.06 3.42 5.75 -1.26 -4.63 116.55 127.01 3hf5 n ASP 50 Ca 0.00 -2.68 0.13 0.00 -0.01 0.00 0.00 54.79 52.23 3hf5 n ASP 50 Cb 0.01 -1.58 0.35 0.00 -1.03 0.00 0.00 41.12 38.87 3hf5 n ASP 50 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3hf5 n THR 51 N 3.97 0.35 0.00 2.12 -2.24 -1.26 -4.95 114.28 112.26 3hf5 n THR 51 Ca 0.70 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 3hf5 n THR 51 Cb 0.28 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3hf5 n THR 51 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hf5 n HIS 52 N -1.99 0.00 -0.98 4.78 8.25 -1.26 -4.79 115.22 119.23 3hf5 n HIS 52 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 3hf5 n HIS 52 Cb 0.41 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.66 3hf5 n HIS 52 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hf5 s VAL 53 N 0.00 2.62 0.18 1.59 -7.23 -1.26 -4.91 120.40 111.39 3hf5 s VAL 53 Ca 0.00 0.20 -0.33 0.00 -1.81 0.00 0.00 61.98 60.04 3hf5 s VAL 53 Cb 0.00 -2.48 -0.15 0.00 0.56 0.00 0.00 36.38 34.31 3hf5 s VAL 53 CO 0.00 -0.26 1.35 -2.65 -0.31 0.00 0.00 175.10 173.22 3hf5 n PRO 54 N -3.98 1.62 -2.52 4.82 -0.02 -1.26 -4.94 135.00 128.71 3hf5 n PRO 54 Ca 0.09 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 3hf5 n PRO 54 Cb 0.53 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3hf5 n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hf5 s TYR 55 N 0.16 3.55 -0.37 6.00 5.04 -1.26 -5.00 117.35 125.46 3hf5 s TYR 55 Ca 0.74 1.50 -0.16 0.00 -2.44 0.00 0.00 57.07 56.71 3hf5 s TYR 55 Cb -0.77 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.24 3hf5 s TYR 55 CO 0.48 -0.74 0.39 -1.17 -1.34 0.00 0.00 175.55 173.17 3hf5 s LEU 56 N 0.56 4.61 -0.29 6.97 2.96 -1.26 -5.06 118.68 127.16 3hf5 s LEU 56 Ca 0.54 -0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 53.85 3hf5 s LEU 56 Cb -0.27 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3hf5 s LEU 56 CO 0.31 -0.43 0.60 -0.62 -1.32 0.00 0.00 176.35 174.88 3hf5 s ASP 57 N 1.76 6.48 -0.01 3.68 -1.08 -1.26 -4.90 116.67 121.34 3hf5 s ASP 57 Ca 0.12 0.45 0.11 0.00 -0.52 0.00 0.00 52.55 52.71 3hf5 s ASP 57 Cb -0.17 -2.32 0.33 0.00 -1.46 0.00 0.00 42.92 39.31 3hf5 s ASP 57 CO 0.12 -0.43 1.28 1.33 0.52 0.00 0.00 175.17 177.99 3hf5 n VAL 58 N 5.33 1.08 -4.00 1.11 0.24 -1.26 -5.10 118.33 115.73 3hf5 n VAL 58 Ca -0.02 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 3hf5 n VAL 58 Cb 0.49 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3hf5 n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hf5 n GLY 59 N 0.49 -1.72 3.57 7.63 0.00 -1.26 -4.80 105.19 109.09 3hf5 n GLY 59 Ca 0.13 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 3hf5 n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hf5 s ARG 60 N 0.00 3.68 -0.15 1.61 3.52 -1.26 -5.05 118.95 121.31 3hf5 s ARG 60 Ca 0.00 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 3hf5 s ARG 60 Cb 0.00 -3.79 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3hf5 s ARG 60 CO 0.00 -0.60 -0.00 0.42 -0.81 0.00 0.00 175.30 174.30 3hf5 s ILE 61 N 2.39 4.24 -0.12 4.11 -1.09 -1.26 -4.84 121.20 124.63 3hf5 s ILE 61 Ca 0.19 -0.24 0.11 0.00 -2.23 0.00 0.00 60.65 58.47 3hf5 s ILE 61 Cb -0.15 -2.86 -0.24 0.00 -1.58 0.00 0.00 42.46 37.63 3hf5 s ILE 61 CO 0.13 0.51 0.38 0.47 -1.23 0.00 0.00 174.94 175.20 3hf5 n ASP 62 N 3.19 0.89 -3.80 3.58 8.00 0.16 -4.63 116.55 123.94 3hf5 n ASP 62 Ca -0.17 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 3hf5 n ASP 62 Cb 0.53 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.68 3hf5 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hf5 s ALA 63 N -2.55 -0.65 -0.13 2.24 0.00 -1.00 -1.43 121.76 118.23 3hf5 s ALA 63 Ca -0.11 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3hf5 s ALA 63 Cb 0.07 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.04 3hf5 s ALA 63 CO 0.80 -0.74 -0.20 0.42 0.00 0.00 0.00 175.76 176.03 3hf5 s ILE 64 N -3.90 1.91 0.23 0.00 -1.09 0.49 -0.87 121.20 117.98 3hf5 s ILE 64 Ca 0.11 -0.89 0.08 0.00 -2.23 0.00 0.00 60.65 57.72 3hf5 s ILE 64 Cb 0.01 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 39.15 3hf5 s ILE 64 CO -0.03 0.52 0.04 -0.83 -1.23 0.00 0.00 174.94 173.42 3hf5 s GLY 65 N 0.81 1.62 -0.20 6.18 0.00 -0.05 -1.16 107.32 114.52 3hf5 s GLY 65 Ca -0.08 -1.51 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 3hf5 s GLY 65 CO -0.01 -1.55 0.53 1.85 0.00 0.00 0.00 173.10 173.92 3hf5 s GLU 66 N -3.47 0.59 -0.02 2.90 2.12 -0.01 0.01 118.70 120.82 3hf5 s GLU 66 Ca 0.30 0.81 0.08 0.00 0.36 0.00 0.00 54.97 56.53 3hf5 s GLU 66 Cb -0.08 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 3hf5 s GLU 66 CO 0.21 -0.10 -0.25 0.00 -0.54 0.00 0.00 175.26 174.57 3hf5 s TRP 68 N -0.63 2.58 -0.03 0.00 0.51 -0.25 -1.54 118.94 119.59 3hf5 s TRP 68 Ca 0.10 -0.51 0.04 0.00 -2.12 0.00 0.00 56.10 53.61 3hf5 s TRP 68 Cb -0.10 -1.65 -0.00 0.00 -0.81 0.00 0.00 33.47 30.91 3hf5 s TRP 68 CO -0.01 -0.08 -0.13 -0.06 -0.51 0.00 0.00 176.95 176.16 3hf5 s PHE 69 N -0.27 1.33 -0.21 -1.98 0.08 0.55 -0.45 117.98 117.02 3hf5 s PHE 69 Ca 0.01 -0.34 0.27 0.00 0.12 0.00 0.00 56.93 56.99 3hf5 s PHE 69 Cb -0.13 -0.90 0.77 0.00 -0.57 0.00 0.00 43.02 42.19 3hf5 s PHE 69 CO 0.03 -0.11 1.77 0.00 -0.10 0.00 0.00 175.22 176.81 3hf5 h ALA 70 N 6.19 1.00 -2.44 5.36 0.00 -1.86 0.13 119.26 127.65 3hf5 h ALA 70 Ca -0.33 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.70 3hf5 h ALA 70 Cb 1.17 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 3hf5 h ALA 70 CO 0.48 0.01 0.44 -1.54 0.00 0.00 0.00 179.25 178.64 3hf5 s SER 71 N -6.00 -0.29 0.30 0.00 1.04 -1.26 -4.66 113.70 102.84 3hf5 s SER 71 Ca 0.04 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3hf5 s SER 71 Cb 0.07 0.48 0.52 0.00 0.10 0.00 0.00 66.02 67.19 3hf5 s SER 71 CO 0.62 -0.85 1.91 -0.33 0.98 0.00 0.00 173.24 175.57 3hf5 h GLU 72 N 2.00 1.01 -0.63 4.02 5.08 -1.96 -1.78 114.58 122.33 3hf5 h GLU 72 Ca -0.24 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 3hf5 h GLU 72 Cb 1.24 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3hf5 h GLU 72 CO 0.28 0.67 0.03 0.93 -1.00 0.00 0.00 179.01 179.93 3hf5 h GLU 73 N 1.04 1.09 -0.41 2.33 3.07 -2.00 -1.38 114.58 118.33 3hf5 h GLU 73 Ca 0.39 -0.33 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 3hf5 h GLU 73 Cb 0.19 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3hf5 h GLU 73 CO -0.15 1.04 -0.10 1.96 -1.40 0.00 0.00 179.01 180.37 3hf5 h GLN 74 N 1.00 0.73 -1.00 2.33 1.08 -1.75 -0.21 115.11 117.29 3hf5 h GLN 74 Ca 0.18 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3hf5 h GLN 74 Cb 0.53 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 3hf5 h GLN 74 CO 0.03 0.80 0.66 -0.92 -0.95 0.00 0.00 178.83 178.45 3hf5 h TYR 75 N 0.66 1.25 -0.57 2.96 3.20 -1.05 -0.11 116.97 123.32 3hf5 h TYR 75 Ca 0.12 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3hf5 h TYR 75 Cb 0.55 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3hf5 h TYR 75 CO 0.03 0.78 -0.06 0.37 -1.64 0.00 0.00 178.16 177.64 3hf5 h GLN 76 N 1.35 1.03 -0.51 1.82 4.15 -0.49 0.35 115.11 122.81 3hf5 h GLN 76 Ca 0.37 -0.35 0.06 0.00 0.77 0.00 0.00 58.65 59.49 3hf5 h GLN 76 Cb -0.14 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.41 3hf5 h GLN 76 CO -0.08 1.04 0.23 0.28 -1.93 0.00 0.00 178.83 178.37 3hf5 h VAL 77 N 0.93 0.89 -0.27 2.39 2.07 -0.67 -0.91 116.25 120.69 3hf5 h VAL 77 Ca 0.15 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3hf5 h VAL 77 Cb 0.62 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3hf5 h VAL 77 CO 0.04 0.08 0.17 0.22 0.02 0.00 0.00 177.57 178.10 3hf5 h TYR 78 N 0.44 0.34 0.00 1.57 3.20 -0.79 -2.59 116.97 119.14 3hf5 h TYR 78 Ca 0.24 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3hf5 h TYR 78 Cb 0.20 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3hf5 h TYR 78 CO -0.13 0.22 -0.02 0.52 -1.64 0.00 0.00 178.16 177.10 3hf5 h MET 79 N 0.36 0.00 0.00 1.82 2.86 -0.31 -2.24 114.93 117.42 3hf5 h MET 79 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hf5 h MET 79 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3hf5 h MET 79 CO -0.02 0.02 -0.47 0.39 1.06 0.00 0.00 176.91 177.89 3hf5 n GLU 80 N -4.26 0.19 -2.60 1.72 1.02 -0.40 -4.97 120.64 111.34 3hf5 n GLU 80 Ca -0.03 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 3hf5 n GLU 80 Cb 0.11 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 3hf5 n GLU 80 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hf5 s SER 81 N -3.85 7.32 0.21 1.62 0.15 -0.84 -4.94 113.70 113.36 3hf5 s SER 81 Ca 0.09 1.90 -0.09 0.00 0.70 0.00 0.00 55.95 58.55 3hf5 s SER 81 Cb 0.15 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 62.02 3hf5 s SER 81 CO 0.68 -0.23 1.80 0.44 1.20 0.00 0.00 173.24 177.13 3hf5 h ASP 82 N 5.93 1.01 0.33 5.45 3.32 -1.92 -1.68 116.42 128.87 3hf5 h ASP 82 Ca -0.43 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.37 3hf5 h ASP 82 Cb 1.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3hf5 h ASP 82 CO 0.74 0.86 -0.52 -0.29 -1.72 0.00 0.00 179.24 178.31 3hf5 h ILE 83 N 1.09 1.36 -0.54 0.35 6.09 -1.96 -1.18 117.51 122.72 3hf5 h ILE 83 Ca 0.27 -1.78 -0.02 0.00 -1.37 0.00 0.00 64.86 61.96 3hf5 h ILE 83 Cb 0.11 1.88 -0.03 0.00 0.47 0.00 0.00 36.82 39.25 3hf5 h ILE 83 CO -0.03 0.53 0.28 -0.09 -3.07 0.00 0.00 178.15 175.76 3hf5 h ARG 84 N 0.16 0.77 -0.54 2.19 2.43 -1.76 0.77 114.38 118.40 3hf5 h ARG 84 Ca 0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3hf5 h ARG 84 Cb 0.97 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3hf5 h ARG 84 CO 0.08 0.61 0.22 0.87 -1.51 0.00 0.00 179.97 180.24 3hf5 h LYS 85 N 0.73 0.78 -0.49 0.20 1.57 -0.82 0.55 116.57 119.10 3hf5 h LYS 85 Ca 0.19 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3hf5 h LYS 85 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3hf5 h LYS 85 CO -0.03 0.65 -0.15 0.00 -0.57 0.00 0.00 179.45 179.35 3hf5 h ALA 86 N 1.46 0.81 -0.35 3.86 0.00 -0.78 -1.65 119.26 122.62 3hf5 h ALA 86 Ca 0.19 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hf5 h ALA 86 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hf5 h ALA 86 CO -0.02 0.66 0.20 2.35 0.00 0.00 0.00 179.25 182.44 3hf5 h TRP 87 N 0.83 0.37 0.00 0.00 7.01 -0.07 -1.48 115.95 122.61 3hf5 h TRP 87 Ca 0.12 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 3hf5 h TRP 87 Cb 0.70 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 3hf5 h TRP 87 CO 0.04 0.21 -0.11 0.74 -2.79 0.00 0.00 178.44 176.53 3hf5 h PHE 88 N 0.40 0.00 -0.36 2.65 -1.00 -0.60 -0.87 116.94 117.16 3hf5 h PHE 88 Ca 0.14 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.82 3hf5 h PHE 88 Cb 0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 3hf5 h PHE 88 CO -0.08 0.11 -0.19 0.93 -1.61 0.00 0.00 178.31 177.48 3hf5 h GLU 89 N 0.00 0.68 -0.93 1.51 4.39 -0.32 -0.79 114.58 119.12 3hf5 h GLU 89 Ca -0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3hf5 h GLU 89 Cb 0.24 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 3hf5 h GLU 89 CO 0.01 0.82 0.59 1.25 -1.16 0.00 0.00 179.01 180.53 3hf5 h HIS 90 N 0.60 1.19 -1.01 4.33 2.76 -0.67 -2.44 115.15 119.92 3hf5 h HIS 90 Ca 0.09 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3hf5 h HIS 90 Cb 0.65 -0.40 -0.06 0.00 1.55 0.00 0.00 27.41 29.16 3hf5 h HIS 90 CO 0.03 0.77 0.66 0.78 -1.30 0.00 0.00 177.93 178.87 3hf5 h GLY 91 N 1.27 1.49 2.00 5.26 0.00 -0.48 -0.79 103.07 111.82 3hf5 h GLY 91 Ca 0.34 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3hf5 h GLY 91 CO -0.07 0.41 -0.11 0.50 0.00 0.00 0.00 176.54 177.27 3hf5 h LYS 92 N 1.26 0.00 -0.12 4.80 1.57 -0.68 0.99 116.57 124.39 3hf5 h LYS 92 Ca 0.41 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.05 3hf5 h LYS 92 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hf5 h LYS 92 CO -0.13 0.11 -0.46 -0.92 -0.57 0.00 0.00 179.45 177.48 3hf5 h TYR 93 N 0.00 0.69 -0.01 -1.35 3.20 -0.95 -3.38 116.97 115.17 3hf5 h TYR 93 Ca -0.00 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3hf5 h TYR 93 Cb 0.25 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3hf5 h TYR 93 CO 0.00 1.06 -0.14 1.97 -1.64 0.00 0.00 178.16 179.41 3hf5 n PHE 94 N -4.26 0.00 -3.92 -3.82 1.16 -0.96 -4.85 117.46 100.81 3hf5 n PHE 94 Ca -0.08 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.16 3hf5 n PHE 94 Cb 0.58 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.31 3hf5 n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hf5 s ILE 95 N -1.23 2.95 0.11 1.97 1.01 0.31 -4.19 121.20 122.14 3hf5 s ILE 95 Ca 0.10 -1.27 -0.05 0.00 0.00 0.00 0.00 60.65 59.43 3hf5 s ILE 95 Cb 0.09 -2.64 -0.21 0.00 0.01 0.00 0.00 42.46 39.70 3hf5 s ILE 95 CO 0.22 -0.01 1.25 1.23 0.00 0.00 0.00 174.94 177.63 3hf5 h GLY 96 N 8.00 0.43 -4.34 6.18 0.00 -0.62 -3.43 103.07 109.29 3hf5 h GLY 96 Ca -0.25 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.13 3hf5 h GLY 96 CO 0.54 0.74 -0.24 1.20 0.00 0.00 0.00 176.54 178.79 3hf5 s GLN 97 N -3.09 0.72 -0.04 4.80 -0.21 -0.82 -4.92 119.66 116.10 3hf5 s GLN 97 Ca -0.06 -0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.07 3hf5 s GLN 97 Cb 0.08 0.32 0.02 0.00 1.00 0.00 0.00 33.01 34.43 3hf5 s GLN 97 CO 0.88 -0.21 0.11 -1.17 -2.12 0.00 0.00 175.29 172.78 3hf5 s LEU 98 N -1.47 1.39 -0.23 2.90 2.96 -1.26 -1.25 118.68 121.71 3hf5 s LEU 98 Ca -0.12 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3hf5 s LEU 98 Cb -0.04 0.35 0.05 0.00 0.50 0.00 0.00 46.19 47.05 3hf5 s LEU 98 CO 0.03 -0.06 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.14 3hf5 s LYS 99 N 0.33 2.18 0.10 1.98 2.47 -0.45 -4.97 119.74 121.37 3hf5 s LYS 99 Ca -0.02 -1.12 -0.17 0.00 -1.56 0.00 0.00 55.97 53.10 3hf5 s LYS 99 Cb -0.03 -2.70 -0.07 0.00 -1.46 0.00 0.00 37.83 33.56 3hf5 s LYS 99 CO -0.01 -0.50 0.55 -2.14 0.16 0.00 0.00 175.35 173.41 3hf5 s PRO 100 N 1.23 4.09 -0.20 4.03 0.02 -1.26 -0.99 135.00 141.93 3hf5 s PRO 100 Ca -0.05 0.61 0.01 0.00 0.02 0.00 0.00 61.00 61.59 3hf5 s PRO 100 Cb -0.18 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.27 3hf5 s PRO 100 CO -0.07 0.57 -0.13 -0.06 -0.33 0.00 0.00 177.00 176.99 3hf5 s PHE 101 N -1.26 2.57 -0.19 6.54 0.08 0.60 -4.98 117.98 121.34 3hf5 s PHE 101 Ca 0.32 -1.66 -0.29 0.00 0.12 0.00 0.00 56.93 55.43 3hf5 s PHE 101 Cb -0.17 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 3hf5 s PHE 101 CO 0.19 -0.77 1.01 0.08 -0.10 0.00 0.00 175.22 175.63 3hf5 s VAL 102 N 1.35 4.73 0.35 -0.44 1.01 -1.26 -0.77 120.40 125.37 3hf5 s VAL 102 Ca -0.00 1.99 0.04 0.00 0.00 0.00 0.00 61.98 64.01 3hf5 s VAL 102 Cb -0.16 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 3hf5 s VAL 102 CO -0.09 -0.11 0.51 0.42 0.00 0.00 0.00 175.10 175.83 3hf5 s THR 103 N 2.77 4.32 -0.06 3.92 -4.23 -0.61 -5.00 115.64 116.76 3hf5 s THR 103 Ca 0.44 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 3hf5 s THR 103 Cb -0.16 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.16 3hf5 s THR 103 CO 0.10 -0.26 -0.11 -0.70 -0.54 0.00 0.00 174.62 173.10 3hf5 s GLU 104 N -4.26 1.58 0.37 3.99 2.12 -1.26 -4.61 118.70 116.63 3hf5 s GLU 104 Ca 0.44 -0.37 -0.26 0.00 0.36 0.00 0.00 54.97 55.13 3hf5 s GLU 104 Cb -0.10 -1.33 -0.09 0.00 0.26 0.00 0.00 34.13 32.88 3hf5 s GLU 104 CO 0.33 0.01 1.21 -1.21 -0.54 0.00 0.00 175.26 175.05 3hf5 s GLU 105 N 0.71 4.17 -0.01 4.30 0.41 -1.26 -4.96 118.70 122.05 3hf5 s GLU 105 Ca -0.14 1.95 0.06 0.00 -0.41 0.00 0.00 54.97 56.43 3hf5 s GLU 105 Cb -0.16 -2.82 -0.09 0.00 -1.78 0.00 0.00 34.13 29.28 3hf5 s GLU 105 CO 0.03 -0.26 0.13 1.28 -0.49 0.00 0.00 175.26 175.95 3hf5 n LEU 106 N 0.35 0.00 0.00 1.80 4.77 -1.26 -5.05 117.00 117.61 3hf5 n LEU 106 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3hf5 n LEU 106 Cb 0.45 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hf5 n LEU 106 CO 0.53 0.01 0.00 1.33 -1.33 0.00 0.00 177.39 177.93