#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf3 n THR 2 N 0.00 0.00 -1.67 2.46 -2.24 -1.26 -4.96 114.28 106.62 1hf3 n THR 2 Ca 0.00 -0.18 -0.46 0.00 -2.27 0.00 0.00 64.05 61.13 1hf3 n THR 2 Cb 0.00 1.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 1hf3 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hf3 n ALA 3 N -0.72 1.31 -0.79 6.98 0.00 -1.26 -1.67 120.51 124.35 1hf3 n ALA 3 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1hf3 n ALA 3 Cb 0.35 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1hf3 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hf3 n GLY 4 N 3.38 1.39 3.51 0.00 0.00 -1.26 -5.00 105.19 107.21 1hf3 n GLY 4 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1hf3 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hf3 s LYS 5 N -0.01 1.74 0.16 1.61 1.02 -0.67 -4.90 119.74 118.68 1hf3 s LYS 5 Ca 0.00 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 53.83 1hf3 s LYS 5 Cb 0.00 -1.69 -0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1hf3 s LYS 5 CO 0.00 0.21 1.30 0.08 -0.92 0.00 0.00 175.35 176.01 1hf3 s VAL 6 N -2.60 3.39 -0.12 3.17 1.01 -1.26 -4.16 120.40 119.83 1hf3 s VAL 6 Ca 0.31 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 1hf3 s VAL 6 Cb -0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1hf3 s VAL 6 CO 0.15 0.14 0.03 -0.63 0.00 0.00 0.00 175.10 174.79 1hf3 s ILE 7 N 0.43 4.56 -0.24 2.22 1.01 -0.45 -4.94 121.20 123.79 1hf3 s ILE 7 Ca 0.58 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.99 1hf3 s ILE 7 Cb -0.35 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1hf3 s ILE 7 CO 0.35 0.57 0.13 -0.54 0.00 0.00 0.00 174.94 175.45 1hf3 s LYS 8 N -0.52 3.96 0.37 2.79 1.02 -1.26 -0.41 119.74 125.68 1hf3 s LYS 8 Ca 0.10 -0.33 -0.05 0.00 0.02 0.00 0.00 55.97 55.70 1hf3 s LYS 8 Cb -0.12 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1hf3 s LYS 8 CO 0.02 0.00 0.58 0.00 -0.92 0.00 0.00 175.35 175.03 1hf3 s LYS 10 N -2.69 3.59 0.04 0.00 1.02 -1.26 0.26 119.74 120.69 1hf3 s LYS 10 Ca 0.27 -0.12 -0.21 0.00 0.02 0.00 0.00 55.97 55.93 1hf3 s LYS 10 Cb -0.02 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1hf3 s LYS 10 CO 0.19 0.57 0.49 0.00 -0.92 0.00 0.00 175.35 175.68 1hf3 s ALA 11 N -1.46 -1.24 -0.41 5.17 0.00 -0.55 -1.25 121.76 122.02 1hf3 s ALA 11 Ca 0.34 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 1hf3 s ALA 11 Cb -0.13 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1hf3 s ALA 11 CO 0.21 -0.47 0.39 0.00 0.00 0.00 0.00 175.76 175.89 1hf3 s ALA 12 N -2.31 3.45 -0.17 0.00 0.00 0.66 -1.65 121.76 121.74 1hf3 s ALA 12 Ca -0.06 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.25 1hf3 s ALA 12 Cb -0.01 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1hf3 s ALA 12 CO -0.01 -1.52 0.12 0.08 0.00 0.00 0.00 175.76 174.43 1hf3 s VAL 13 N 1.99 5.36 -0.47 0.00 1.01 0.24 -4.36 120.40 124.16 1hf3 s VAL 13 Ca 0.10 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 1hf3 s VAL 13 Cb -0.18 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1hf3 s VAL 13 CO 0.12 0.49 0.38 -0.22 0.00 0.00 0.00 175.10 175.88 1hf3 s LEU 14 N -0.03 5.59 0.18 3.92 2.96 -0.02 -0.87 118.68 130.40 1hf3 s LEU 14 Ca 0.10 -1.36 0.13 0.00 -0.22 0.00 0.00 54.13 52.78 1hf3 s LEU 14 Cb -0.11 -2.16 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 1hf3 s LEU 14 CO -0.00 -0.64 1.24 -0.50 -1.32 0.00 0.00 176.35 175.13 1hf3 h TRP 15 N 8.72 0.00 -2.14 5.38 4.06 -1.86 -2.00 115.95 128.11 1hf3 h TRP 15 Ca -0.28 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.71 1hf3 h TRP 15 Cb 1.11 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.09 1hf3 h TRP 15 CO 0.64 0.67 0.38 -1.83 -3.56 0.00 0.00 178.44 174.74 1hf3 s GLU 16 N -2.87 0.90 0.65 0.49 -1.05 -1.26 -4.40 118.70 111.16 1hf3 s GLU 16 Ca 0.01 -0.07 -0.17 0.00 -0.15 0.00 0.00 54.97 54.59 1hf3 s GLU 16 Cb 0.08 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 1hf3 s GLU 16 CO 0.78 -0.34 1.02 0.39 0.95 0.00 0.00 175.26 178.07 1hf3 n GLU 17 N 0.28 0.80 -1.98 -4.83 1.02 -1.26 -3.23 120.64 111.43 1hf3 n GLU 17 Ca -0.13 0.32 -0.21 0.00 -0.02 0.00 0.00 57.16 57.13 1hf3 n GLU 17 Cb 0.60 -2.25 -0.05 0.00 -0.02 0.00 0.00 31.44 29.72 1hf3 n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hf3 n LYS 18 N -1.48 -1.57 -4.41 3.49 5.02 0.31 -4.98 118.16 114.54 1hf3 n LYS 18 Ca 0.14 1.11 -0.25 0.00 -2.02 0.00 0.00 58.31 57.29 1hf3 n LYS 18 Cb 0.48 -5.63 -0.10 0.00 -0.02 0.00 0.00 35.03 29.76 1hf3 n LYS 18 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1hf3 s LYS 19 N -4.37 1.75 0.83 1.97 -0.14 -1.20 -5.07 119.74 113.51 1hf3 s LYS 19 Ca 0.00 -1.57 -0.11 0.00 -1.36 0.00 0.00 55.97 52.94 1hf3 s LYS 19 Cb 0.00 -1.90 0.09 0.00 -1.68 0.00 0.00 37.83 34.34 1hf3 s LYS 19 CO 0.00 0.37 1.10 -2.14 -0.76 0.00 0.00 175.35 173.93 1hf3 s PRO 20 N -3.13 1.78 0.45 -1.68 0.02 -1.26 -4.95 135.00 126.23 1hf3 s PRO 20 Ca 0.26 1.22 -0.23 0.00 0.02 0.00 0.00 61.00 62.28 1hf3 s PRO 20 Cb -0.07 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 1hf3 s PRO 20 CO 0.14 -2.00 1.09 -0.06 -0.33 0.00 0.00 177.00 175.84 1hf3 s PHE 21 N -2.83 3.04 -0.24 6.54 0.08 -1.26 -4.79 117.98 118.52 1hf3 s PHE 21 Ca 0.63 1.59 -0.05 0.00 0.12 0.00 0.00 56.93 59.22 1hf3 s PHE 21 Cb -0.19 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.04 1hf3 s PHE 21 CO 0.57 -1.02 -0.00 0.45 -0.10 0.00 0.00 175.22 175.11 1hf3 s SER 22 N -1.59 4.61 -0.35 1.36 0.15 -0.05 -4.91 113.70 112.93 1hf3 s SER 22 Ca 0.63 -0.41 -0.24 0.00 0.70 0.00 0.00 55.95 56.63 1hf3 s SER 22 Cb -0.23 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1hf3 s SER 22 CO 0.28 -0.05 0.84 -0.63 1.20 0.00 0.00 173.24 174.88 1hf3 s ILE 23 N 1.51 4.70 0.29 6.45 1.01 -1.26 -0.60 121.20 133.30 1hf3 s ILE 23 Ca 0.05 1.10 -0.20 0.00 0.00 0.00 0.00 60.65 61.60 1hf3 s ILE 23 Cb -0.15 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1hf3 s ILE 23 CO -0.01 -0.41 0.72 -1.83 0.00 0.00 0.00 174.94 173.41 1hf3 s GLU 24 N 3.18 1.83 0.11 2.79 -1.05 -0.66 -4.98 118.70 119.93 1hf3 s GLU 24 Ca 0.34 -1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 53.81 1hf3 s GLU 24 Cb -0.13 0.61 -0.06 0.00 -0.44 0.00 0.00 34.13 34.10 1hf3 s GLU 24 CO 0.16 -0.84 1.16 -2.00 0.95 0.00 0.00 175.26 174.69 1hf3 s GLU 25 N -3.74 4.50 0.15 -4.83 2.12 -1.26 -1.48 118.70 114.15 1hf3 s GLU 25 Ca 0.12 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.24 1hf3 s GLU 25 Cb -0.06 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1hf3 s GLU 25 CO 0.08 -0.12 -0.07 0.14 -0.54 0.00 0.00 175.26 174.75 1hf3 s VAL 26 N 0.49 0.98 -0.16 3.70 -7.23 0.14 -4.56 120.40 113.77 1hf3 s VAL 26 Ca 0.55 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1hf3 s VAL 26 Cb -0.30 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 1hf3 s VAL 26 CO 0.32 -0.68 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.76 1hf3 s GLU 27 N -3.80 3.59 -0.26 4.82 2.02 -0.45 -1.08 118.70 123.54 1hf3 s GLU 27 Ca 0.18 -0.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1hf3 s GLU 27 Cb 0.04 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1hf3 s GLU 27 CO 0.01 0.19 -0.03 0.08 0.02 0.00 0.00 175.26 175.52 1hf3 s VAL 28 N 0.49 3.09 0.70 2.63 1.01 0.45 -1.89 120.40 126.88 1hf3 s VAL 28 Ca -0.04 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1hf3 s VAL 28 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1hf3 s VAL 28 CO 0.03 0.18 1.13 0.00 0.00 0.00 0.00 175.10 176.43 1hf3 s ALA 29 N 1.36 2.33 0.84 5.51 0.00 0.27 -1.34 121.76 130.73 1hf3 s ALA 29 Ca 0.01 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1hf3 s ALA 29 Cb -0.17 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.71 1hf3 s ALA 29 CO -0.03 -1.52 1.11 -1.25 0.00 0.00 0.00 175.76 174.07 1hf3 s PRO 30 N -4.21 1.69 0.43 0.00 0.04 -1.26 -4.87 135.00 126.83 1hf3 s PRO 30 Ca 0.67 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 1hf3 s PRO 30 Cb -0.22 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1hf3 s PRO 30 CO 0.45 -2.08 1.31 -1.25 0.04 0.00 0.00 177.00 175.46 1hf3 s PRO 31 N -4.80 3.82 0.34 0.56 0.04 -1.26 -5.06 135.00 128.64 1hf3 s PRO 31 Ca 0.63 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 1hf3 s PRO 31 Cb -0.19 -2.65 0.07 0.00 0.04 0.00 0.00 34.50 31.77 1hf3 s PRO 31 CO 0.57 -0.61 0.47 1.63 0.04 0.00 0.00 177.00 179.10 1hf3 n LYS 32 N -0.10 0.03 -1.72 4.56 5.02 -1.26 -4.55 118.16 120.13 1hf3 n LYS 32 Ca 0.05 -1.05 -0.40 0.00 -2.02 0.00 0.00 58.31 54.89 1hf3 n LYS 32 Cb 0.44 -0.38 0.03 0.00 -0.02 0.00 0.00 35.03 35.10 1hf3 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hf3 n ALA 33 N -3.09 1.46 -2.45 7.82 0.00 -1.26 -2.68 120.51 120.31 1hf3 n ALA 33 Ca -0.08 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1hf3 n ALA 33 Cb 0.25 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 1hf3 n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hf3 n HIS 34 N -0.67 -1.13 -4.30 0.00 8.25 -0.24 -4.88 115.22 112.25 1hf3 n HIS 34 Ca 0.08 0.04 -0.19 0.00 -0.26 0.00 0.00 57.72 57.39 1hf3 n HIS 34 Cb 0.43 -3.84 -0.11 0.00 1.12 0.00 0.00 29.99 27.59 1hf3 n HIS 34 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1hf3 s GLU 35 N -5.10 1.20 -0.02 -0.41 2.02 -1.09 0.21 118.70 115.51 1hf3 s GLU 35 Ca 0.02 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1hf3 s GLU 35 Cb -0.01 -1.10 0.03 0.00 0.10 0.00 0.00 34.13 33.15 1hf3 s GLU 35 CO 0.03 0.21 0.01 0.08 0.02 0.00 0.00 175.26 175.61 1hf3 s VAL 36 N -2.41 0.06 -0.21 2.63 1.01 0.00 -0.22 120.40 121.26 1hf3 s VAL 36 Ca 0.16 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 1hf3 s VAL 36 Cb -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1hf3 s VAL 36 CO 0.05 0.11 0.06 -0.60 0.00 0.00 0.00 175.10 174.72 1hf3 s ARG 37 N 0.99 3.79 -0.10 2.72 3.52 -0.12 -0.65 118.95 129.09 1hf3 s ARG 37 Ca -0.09 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1hf3 s ARG 37 Cb -0.13 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1hf3 s ARG 37 CO -0.02 0.05 -0.16 0.42 -0.81 0.00 0.00 175.30 174.78 1hf3 s ILE 38 N 0.98 2.86 -0.22 4.11 1.01 -0.06 0.10 121.20 129.98 1hf3 s ILE 38 Ca 0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 1hf3 s ILE 38 Cb -0.14 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1hf3 s ILE 38 CO 0.03 0.55 0.75 -0.75 0.00 0.00 0.00 174.94 175.51 1hf3 s LYS 39 N 0.05 4.19 0.31 2.79 2.20 -0.00 -1.49 119.74 127.78 1hf3 s LYS 39 Ca -0.06 0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 56.08 1hf3 s LYS 39 Cb -0.15 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 1hf3 s LYS 39 CO 0.05 -0.41 1.01 -1.64 -0.36 0.00 0.00 175.35 173.99 1hf3 s MET 40 N 2.48 4.58 -0.14 4.03 -1.94 0.11 -1.10 119.30 127.33 1hf3 s MET 40 Ca 0.32 1.54 -0.03 0.00 -1.71 0.00 0.00 55.69 55.81 1hf3 s MET 40 Cb -0.16 -2.98 -0.08 0.00 2.01 0.00 0.00 34.83 33.63 1hf3 s MET 40 CO 0.09 0.24 -0.15 0.28 -0.01 0.00 0.00 175.02 175.47 1hf3 n VAL 41 N 0.84 0.78 -3.75 -6.03 0.31 -0.45 -4.70 118.33 105.34 1hf3 n VAL 41 Ca 0.01 -0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 63.95 1hf3 n VAL 41 Cb 0.48 -1.31 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 1hf3 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hf3 s ALA 42 N -2.27 -0.86 -0.03 3.52 0.00 -1.04 -2.09 121.76 118.99 1hf3 s ALA 42 Ca -0.19 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1hf3 s ALA 42 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1hf3 s ALA 42 CO 0.28 -0.25 0.07 -0.08 0.00 0.00 0.00 175.76 175.78 1hf3 s THR 43 N -1.01 -0.01 0.20 0.00 -1.32 -0.08 -1.37 115.64 112.05 1hf3 s THR 43 Ca -0.11 0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 60.37 1hf3 s THR 43 Cb -0.04 -0.11 -0.05 0.00 -1.51 0.00 0.00 72.50 70.79 1hf3 s THR 43 CO 0.04 0.01 0.42 -0.83 -2.21 0.00 0.00 174.62 172.05 1hf3 s GLY 44 N 0.18 1.94 -0.47 6.08 0.00 0.80 -0.08 107.32 115.77 1hf3 s GLY 44 Ca -0.01 -0.69 -0.22 0.00 0.00 0.00 0.00 44.72 43.80 1hf3 s GLY 44 CO -0.01 -0.62 0.76 -0.42 0.00 0.00 0.00 173.10 172.81 1hf3 s ILE 45 N -1.85 4.68 0.13 0.90 1.01 -0.22 -4.53 121.20 121.32 1hf3 s ILE 45 Ca 0.40 0.20 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1hf3 s ILE 45 Cb -0.11 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1hf3 s ILE 45 CO 0.28 -0.77 0.18 0.00 0.00 0.00 0.00 174.94 174.63 1hf3 h ARG 47 N 2.58 0.00 0.00 0.00 9.65 -1.97 -1.54 114.38 123.10 1hf3 h ARG 47 Ca -0.47 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.36 1hf3 h ARG 47 Cb 1.19 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 1hf3 h ARG 47 CO 0.67 0.00 -0.21 0.77 2.80 0.00 0.00 179.97 184.00 1hf3 h SER 48 N 0.00 0.00 -0.02 -3.80 0.02 -1.98 0.13 113.55 107.90 1hf3 h SER 48 Ca 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1hf3 h SER 48 Cb 0.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1hf3 h SER 48 CO -0.00 0.21 -0.00 0.44 -1.14 0.00 0.00 176.83 176.34 1hf3 h ASP 49 N 0.00 0.03 -0.78 3.07 3.32 -1.68 -2.68 116.42 117.70 1hf3 h ASP 49 Ca -0.00 -0.32 0.07 0.00 0.02 0.00 0.00 57.03 56.79 1hf3 h ASP 49 Cb 0.56 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1hf3 h ASP 49 CO 0.03 0.35 0.51 -0.78 -1.72 0.00 0.00 179.24 177.62 1hf3 h ASP 50 N -0.29 0.72 -0.59 6.45 3.58 -1.29 -1.88 116.42 123.11 1hf3 h ASP 50 Ca 0.00 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.53 1hf3 h ASP 50 Cb 0.33 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1hf3 h ASP 50 CO 0.00 0.46 0.39 0.45 -2.88 0.00 0.00 179.24 177.66 1hf3 h HIS 51 N 0.81 0.53 -0.22 0.28 3.86 -0.44 -0.26 115.15 119.72 1hf3 h HIS 51 Ca 0.34 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1hf3 h HIS 51 Cb 0.27 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1hf3 h HIS 51 CO -0.00 0.28 0.07 0.28 0.86 0.00 0.00 177.93 179.41 1hf3 h VAL 52 N 0.52 1.19 -0.58 2.45 2.07 -1.12 -1.47 116.25 119.30 1hf3 h VAL 52 Ca 0.26 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1hf3 h VAL 52 Cb 0.36 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1hf3 h VAL 52 CO -0.08 0.19 0.36 0.58 0.02 0.00 0.00 177.57 178.64 1hf3 h VAL 53 N 0.18 1.07 0.00 2.57 2.07 -1.32 -2.40 116.25 118.42 1hf3 h VAL 53 Ca 0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1hf3 h VAL 53 Cb 0.23 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1hf3 h VAL 53 CO -0.00 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 176.18 1hf3 n SER 54 N -4.74 0.43 0.00 0.57 3.41 -0.17 0.11 113.62 113.23 1hf3 n SER 54 Ca 0.05 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1hf3 n SER 54 Cb 0.07 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1hf3 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hf3 n GLY 55 N 0.84 0.98 0.32 5.00 0.00 -0.78 -4.85 105.19 106.69 1hf3 n GLY 55 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1hf3 n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hf3 h THR 56 N 0.00 1.22 -3.43 2.61 2.02 -1.56 -3.39 112.91 110.38 1hf3 h THR 56 Ca 0.00 -0.43 -0.67 0.00 0.77 0.00 0.00 66.41 66.08 1hf3 h THR 56 Cb 0.00 0.05 -0.30 0.00 -1.74 0.00 0.00 68.15 66.16 1hf3 h THR 56 CO 0.00 0.22 -0.74 -0.22 0.37 0.00 0.00 175.52 175.15 1hf3 s LEU 57 N -10.08 3.02 -0.22 2.58 2.96 -0.99 -0.87 118.68 115.08 1hf3 s LEU 57 Ca -0.13 -0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 53.01 1hf3 s LEU 57 Cb 0.16 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 1hf3 s LEU 57 CO 0.79 -0.08 0.25 -0.69 -1.32 0.00 0.00 176.35 175.31 1hf3 s VAL 58 N 1.40 5.30 -0.03 1.68 1.01 -1.26 -4.24 120.40 124.26 1hf3 s VAL 58 Ca 0.03 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 1hf3 s VAL 58 Cb -0.15 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.69 1hf3 s VAL 58 CO -0.04 0.32 0.54 0.28 0.00 0.00 0.00 175.10 176.20 1hf3 s THR 59 N 1.06 0.02 0.18 3.92 -1.32 -1.26 -4.62 115.64 113.62 1hf3 s THR 59 Ca 0.12 -0.18 -0.32 0.00 -1.21 0.00 0.00 61.69 60.10 1hf3 s THR 59 Cb -0.14 -0.87 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1hf3 s THR 59 CO 0.05 -0.10 1.72 -2.65 -2.21 0.00 0.00 174.62 171.43 1hf3 n PRO 60 N 1.01 2.66 -4.09 7.08 -0.02 -1.26 -5.00 135.00 135.38 1hf3 n PRO 60 Ca -0.20 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 1hf3 n PRO 60 Cb 0.57 -2.80 -0.07 0.00 -0.02 0.00 0.00 33.50 31.18 1hf3 n PRO 60 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hf3 s LEU 61 N 1.39 3.84 0.61 2.45 1.43 -1.26 -4.23 118.68 122.92 1hf3 s LEU 61 Ca 0.77 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 1hf3 s LEU 61 Cb -0.54 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1hf3 s LEU 61 CO 0.34 0.23 1.03 -2.16 0.23 0.00 0.00 176.35 176.02 1hf3 s PRO 62 N -2.03 3.54 0.05 1.29 0.04 -1.26 -4.92 135.00 131.72 1hf3 s PRO 62 Ca 0.26 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.02 1hf3 s PRO 62 Cb -0.12 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1hf3 s PRO 62 CO 0.18 -0.61 0.24 0.54 0.04 0.00 0.00 177.00 177.38 1hf3 s VAL 63 N -3.05 0.11 -0.48 -0.36 0.11 -0.75 -1.18 120.40 114.79 1hf3 s VAL 63 Ca 0.56 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 1hf3 s VAL 63 Cb -0.11 -1.02 0.12 0.00 -1.53 0.00 0.00 36.38 33.84 1hf3 s VAL 63 CO 0.50 -0.48 0.35 -0.63 -3.33 0.00 0.00 175.10 171.50 1hf3 s ILE 64 N -2.89 4.11 0.00 7.04 1.01 -0.93 -0.84 121.20 128.71 1hf3 s ILE 64 Ca -0.03 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1hf3 s ILE 64 Cb 0.00 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1hf3 s ILE 64 CO -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 174.94 174.10 1hf3 n ALA 65 N 4.77 0.00 -0.00 9.38 0.00 -1.26 -3.73 120.51 129.67 1hf3 n ALA 65 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1hf3 n ALA 65 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1hf3 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hf3 n GLY 66 N 3.43 0.44 0.00 0.00 0.00 -1.26 -1.32 105.19 106.48 1hf3 n GLY 66 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1hf3 n GLY 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hf3 n HIS 67 N 2.11 0.00 -3.51 1.61 1.44 -1.26 -1.08 115.22 114.52 1hf3 n HIS 67 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1hf3 n HIS 67 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 1hf3 n HIS 67 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1hf3 s GLU 68 N 0.00 2.73 0.28 -1.40 2.12 -1.26 -4.67 118.70 116.50 1hf3 s GLU 68 Ca 0.00 -1.98 -0.16 0.00 0.36 0.00 0.00 54.97 53.19 1hf3 s GLU 68 Cb 0.00 -4.03 0.01 0.00 0.26 0.00 0.00 34.13 30.37 1hf3 s GLU 68 CO 0.00 -1.23 0.61 0.00 -0.54 0.00 0.00 175.26 174.10 1hf3 s ALA 69 N 1.00 -0.61 -0.02 6.30 0.00 -1.23 -0.14 121.76 127.05 1hf3 s ALA 69 Ca 0.09 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1hf3 s ALA 69 Cb -0.23 0.95 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1hf3 s ALA 69 CO -0.02 -0.94 0.18 0.00 0.00 0.00 0.00 175.76 174.99 1hf3 s ALA 70 N -3.75 -0.45 0.00 0.00 0.00 -0.47 -4.05 121.76 113.04 1hf3 s ALA 70 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1hf3 s ALA 70 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1hf3 s ALA 70 CO 0.09 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1hf3 n GLY 71 N 1.84 2.06 3.24 0.00 0.00 -0.20 -1.34 105.19 110.79 1hf3 n GLY 71 Ca -0.20 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1hf3 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hf3 s ILE 72 N -2.89 1.77 -0.02 -0.61 1.01 -0.25 -0.63 121.20 119.58 1hf3 s ILE 72 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1hf3 s ILE 72 Cb 0.00 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1hf3 s ILE 72 CO 0.00 0.50 1.48 -0.69 0.00 0.00 0.00 174.94 176.24 1hf3 s VAL 73 N -0.40 3.66 -0.14 2.92 1.01 -0.42 -0.82 120.40 126.19 1hf3 s VAL 73 Ca 0.05 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 62.96 1hf3 s VAL 73 Cb -0.10 -3.62 -0.24 0.00 0.00 0.00 0.00 36.38 32.42 1hf3 s VAL 73 CO 0.00 -0.03 0.26 1.21 0.00 0.00 0.00 175.10 176.54 1hf3 n GLU 74 N 6.01 0.73 -3.64 2.72 0.00 0.12 -0.78 120.64 125.79 1hf3 n GLU 74 Ca 0.15 0.24 -0.04 0.00 0.00 0.00 0.00 57.16 57.50 1hf3 n GLU 74 Cb 0.43 -1.67 -0.01 0.00 0.00 0.00 0.00 31.44 30.18 1hf3 n GLU 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1hf3 s SER 75 N -6.86 -0.21 0.10 4.31 1.04 -0.89 -4.78 113.70 106.41 1hf3 s SER 75 Ca -0.24 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.05 1hf3 s SER 75 Cb 0.07 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1hf3 s SER 75 CO 0.74 -0.64 -0.14 0.27 0.98 0.00 0.00 173.24 174.44 1hf3 s ILE 76 N -2.99 1.24 0.62 -1.02 -4.36 -1.26 -0.95 121.20 112.48 1hf3 s ILE 76 Ca 0.10 -1.51 -0.02 0.00 -0.26 0.00 0.00 60.65 58.96 1hf3 s ILE 76 Cb -0.00 -1.31 0.05 0.00 1.25 0.00 0.00 42.46 42.45 1hf3 s ILE 76 CO -0.03 -0.30 0.89 -0.83 0.24 0.00 0.00 174.94 174.90 1hf3 s GLY 77 N -2.07 1.77 0.35 6.27 0.00 0.69 -4.93 107.32 109.40 1hf3 s GLY 77 Ca 0.03 -1.17 -0.28 0.00 0.00 0.00 0.00 44.72 43.30 1hf3 s GLY 77 CO 0.03 -0.82 1.37 -2.21 0.00 0.00 0.00 173.10 171.46 1hf3 n GLU 78 N -2.62 2.34 0.00 2.90 2.13 -1.26 -2.90 120.64 121.24 1hf3 n GLU 78 Ca 0.08 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1hf3 n GLU 78 Cb 0.60 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1hf3 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hf3 n GLY 79 N 0.66 2.20 3.69 8.31 0.00 -1.26 -1.08 105.19 117.72 1hf3 n GLY 79 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1hf3 n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hf3 s VAL 80 N -2.34 3.56 0.00 1.61 1.01 -1.14 -4.82 120.40 118.29 1hf3 s VAL 80 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1hf3 s VAL 80 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1hf3 s VAL 80 CO 0.00 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.46 1hf3 n THR 81 N 4.54 0.00 1.02 3.92 -2.24 -1.26 -4.82 114.28 115.43 1hf3 n THR 81 Ca 0.13 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1hf3 n THR 81 Cb 0.43 0.45 0.26 0.00 -2.10 0.00 0.00 70.33 69.37 1hf3 n THR 81 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hf3 n THR 82 N -1.40 0.00 -4.00 4.28 -2.24 -1.26 -4.91 114.28 104.76 1hf3 n THR 82 Ca 0.00 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1hf3 n THR 82 Cb 0.00 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 1hf3 n THR 82 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1hf3 s VAL 83 N -2.96 0.17 0.03 2.28 -7.23 -1.26 -4.67 120.40 106.75 1hf3 s VAL 83 Ca 0.12 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1hf3 s VAL 83 Cb 0.18 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 1hf3 s VAL 83 CO 0.69 -0.76 -0.05 0.00 -0.31 0.00 0.00 175.10 174.67 1hf3 s ARG 84 N -3.11 0.39 0.23 4.82 1.70 -1.26 -5.01 118.95 116.71 1hf3 s ARG 84 Ca -0.01 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.27 1hf3 s ARG 84 Cb 0.02 -0.01 -0.16 0.00 -0.57 0.00 0.00 34.95 34.23 1hf3 s ARG 84 CO -0.07 -0.02 0.89 -2.30 -1.08 0.00 0.00 175.30 172.72 1hf3 n PRO 85 N 1.49 0.84 0.00 3.89 -0.02 -1.26 -0.70 135.00 139.24 1hf3 n PRO 85 Ca -0.23 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1hf3 n PRO 85 Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1hf3 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hf3 n GLY 86 N 1.64 3.25 3.76 -1.23 0.00 0.04 -4.94 105.19 107.71 1hf3 n GLY 86 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1hf3 n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hf3 s ASP 87 N -0.94 5.90 0.16 1.61 1.01 0.13 -4.66 116.67 119.89 1hf3 s ASP 87 Ca 0.00 2.63 -0.30 0.00 0.71 0.00 0.00 52.55 55.59 1hf3 s ASP 87 Cb 0.00 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.23 1hf3 s ASP 87 CO 0.00 -1.13 0.99 -0.54 0.21 0.00 0.00 175.17 174.71 1hf3 s LYS 88 N -2.58 4.71 0.08 8.23 1.02 -1.26 -1.30 119.74 128.64 1hf3 s LYS 88 Ca 0.64 1.54 -0.06 0.00 0.02 0.00 0.00 55.97 58.10 1hf3 s LYS 88 Cb -0.37 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1hf3 s LYS 88 CO 0.46 0.25 0.13 0.14 -0.92 0.00 0.00 175.35 175.41 1hf3 s VAL 89 N -0.38 0.16 -0.11 3.17 -7.23 0.20 -1.32 120.40 114.89 1hf3 s VAL 89 Ca 0.46 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1hf3 s VAL 89 Cb -0.26 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.29 1hf3 s VAL 89 CO 0.32 -0.74 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.64 1hf3 s ILE 90 N -3.88 1.21 0.39 -0.62 1.01 -0.51 -1.04 121.20 117.77 1hf3 s ILE 90 Ca 0.06 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.03 1hf3 s ILE 90 Cb 0.06 -1.18 -0.09 0.00 0.01 0.00 0.00 42.46 41.26 1hf3 s ILE 90 CO -0.10 0.39 1.17 -2.16 0.00 0.00 0.00 174.94 174.25 1hf3 s PRO 91 N 1.45 4.11 -0.30 2.79 0.04 -1.26 -1.91 135.00 139.93 1hf3 s PRO 91 Ca 0.01 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1hf3 s PRO 91 Cb -0.13 -2.73 0.05 0.00 0.04 0.00 0.00 34.50 31.73 1hf3 s PRO 91 CO -0.07 -0.27 -0.01 -0.51 0.04 0.00 0.00 177.00 176.18 1hf3 s LEU 92 N -2.38 3.86 0.56 -3.56 1.43 0.39 -4.78 118.68 114.19 1hf3 s LEU 92 Ca 0.56 -1.30 0.34 0.00 -1.03 0.00 0.00 54.13 52.70 1hf3 s LEU 92 Cb -0.31 -1.69 1.47 0.00 0.03 0.00 0.00 46.19 45.69 1hf3 s LEU 92 CO 0.40 -0.25 2.02 2.19 0.23 0.00 0.00 176.35 180.94 1hf3 h PHE 93 N 7.97 0.00 -3.67 0.29 -0.00 -1.83 -3.35 116.94 116.34 1hf3 h PHE 93 Ca -0.21 0.00 -0.69 0.00 -0.00 0.00 0.00 57.97 57.07 1hf3 h PHE 93 Cb 1.06 0.00 -0.29 0.00 -0.00 0.00 0.00 35.95 36.72 1hf3 h PHE 93 CO 0.62 0.02 -0.62 0.99 -0.00 0.00 0.00 178.31 179.31 1hf3 s THR 94 N -3.74 3.69 1.03 0.88 2.01 -1.26 -4.73 115.64 113.51 1hf3 s THR 94 Ca 0.00 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.75 1hf3 s THR 94 Cb 0.10 -3.06 0.21 0.00 0.01 0.00 0.00 72.50 69.75 1hf3 s THR 94 CO 0.53 -0.13 1.13 -2.16 -0.69 0.00 0.00 174.62 173.30 1hf3 s PRO 95 N 1.39 0.14 -0.41 4.92 0.04 -1.26 -4.62 135.00 135.20 1hf3 s PRO 95 Ca -0.02 0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.26 1hf3 s PRO 95 Cb -0.19 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1hf3 s PRO 95 CO 0.02 -2.86 0.32 -1.14 0.04 0.00 0.00 177.00 173.38 1hf3 s GLN 96 N -5.24 0.91 0.49 4.56 0.74 -0.87 -4.27 119.66 115.97 1hf3 s GLN 96 Ca 0.67 -2.00 0.25 0.00 0.05 0.00 0.00 55.36 54.33 1hf3 s GLN 96 Cb -0.14 -1.50 1.28 0.00 1.10 0.00 0.00 33.01 33.75 1hf3 s GLN 96 CO 0.56 -1.34 2.01 0.00 -0.55 0.00 0.00 175.29 175.96 1hf3 n GLY 98 N -0.57 1.07 0.00 0.00 0.00 -1.26 -4.79 105.19 99.64 1hf3 n GLY 98 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hf3 n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hf3 n LYS 99 N -2.00 2.04 -1.07 1.61 5.02 -1.26 -4.73 118.16 117.77 1hf3 n LYS 99 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1hf3 n LYS 99 Cb 0.00 -0.94 0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1hf3 n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hf3 h ARG 101 N 0.00 0.61 0.02 0.00 0.11 -1.98 -2.24 114.38 110.90 1hf3 h ARG 101 Ca -0.20 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 59.73 1hf3 h ARG 101 Cb 0.58 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.54 1hf3 h ARG 101 CO 0.15 0.40 -0.44 0.28 0.10 0.00 0.00 179.97 180.46 1hf3 h VAL 102 N 0.62 1.52 -0.73 0.08 2.07 -1.92 -1.92 116.25 115.98 1hf3 h VAL 102 Ca 0.24 -2.12 0.09 0.00 0.82 0.00 0.00 66.70 65.73 1hf3 h VAL 102 Cb 0.16 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 1hf3 h VAL 102 CO -0.07 0.59 0.48 0.00 0.02 0.00 0.00 177.57 178.60 1hf3 h LYS 104 N 0.64 0.00 -6.71 0.00 1.57 -1.42 -3.45 116.57 107.20 1hf3 h LYS 104 Ca 0.33 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.59 1hf3 h LYS 104 Cb 0.45 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.79 1hf3 h LYS 104 CO -0.12 0.51 0.61 -1.58 -0.57 0.00 0.00 179.45 178.30 1hf3 s HIS 105 N -3.42 3.30 0.41 -1.35 2.46 0.75 -4.91 115.29 112.54 1hf3 s HIS 105 Ca 0.00 1.34 0.25 0.00 0.47 0.00 0.00 55.06 57.13 1hf3 s HIS 105 Cb 0.11 -3.54 1.36 0.00 -0.13 0.00 0.00 32.58 30.38 1hf3 s HIS 105 CO 0.73 -1.59 2.05 -1.35 -2.47 0.00 0.00 174.74 172.11 1hf3 h PRO 106 N 4.92 0.00 0.00 2.88 0.11 -1.87 -3.26 132.00 134.79 1hf3 h PRO 106 Ca -0.45 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.28 1hf3 h PRO 106 Cb 1.22 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1hf3 h PRO 106 CO 0.74 0.14 -2.43 0.39 -0.21 0.00 0.00 178.00 176.63 1hf3 n GLU 107 N -3.72 0.64 -1.52 1.05 1.02 -1.26 -5.03 120.64 111.81 1hf3 n GLU 107 Ca -0.02 0.14 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 1hf3 n GLU 107 Cb 0.25 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1hf3 n GLU 107 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1hf3 s GLY 108 N -6.39 2.01 0.00 0.62 0.00 -1.23 -4.95 107.32 97.38 1hf3 s GLY 108 Ca -0.33 0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1hf3 s GLY 108 CO 0.59 0.86 0.03 1.16 0.00 0.00 0.00 173.10 175.74 1hf3 n ASN 109 N -2.87 0.06 -3.99 1.64 6.94 -1.26 -4.72 115.26 111.05 1hf3 n ASN 109 Ca 0.10 -0.37 -0.43 0.00 -0.02 0.00 0.00 54.58 53.87 1hf3 n ASN 109 Cb 0.52 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 1hf3 n ASN 109 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1hf3 n PHE 110 N -0.13 3.69 -1.53 -2.53 7.35 -1.26 -4.80 117.46 118.25 1hf3 n PHE 110 Ca 0.00 -2.94 -0.55 0.00 -0.76 0.00 0.00 57.45 53.20 1hf3 n PHE 110 Cb 0.06 -2.33 -0.07 0.00 0.35 0.00 0.00 39.48 37.49 1hf3 n PHE 110 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1hf3 n LEU 112 N 1.91 0.00 -1.06 0.00 4.77 -1.26 -1.59 117.00 119.77 1hf3 n LEU 112 Ca 0.19 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 1hf3 n LEU 112 Cb 0.15 -0.35 0.27 0.00 -2.33 0.00 0.00 43.42 41.15 1hf3 n LEU 112 CO 0.61 -0.32 0.73 0.29 -1.33 0.00 0.00 177.39 177.36 1hf3 n LYS 113 N -1.35 2.35 -0.97 3.23 4.76 -1.26 -4.96 118.16 119.95 1hf3 n LYS 113 Ca 0.01 -2.07 -0.32 0.00 -2.87 0.00 0.00 58.31 53.06 1hf3 n LYS 113 Cb 0.02 -1.47 0.14 0.00 -1.84 0.00 0.00 35.03 31.88 1hf3 n LYS 113 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1hf3 s ASN 114 N -1.23 3.36 -0.31 4.39 2.20 -0.62 -4.90 114.94 117.83 1hf3 s ASN 114 Ca 0.39 2.29 0.08 0.00 -0.94 0.00 0.00 52.86 54.68 1hf3 s ASN 114 Cb 0.21 -2.58 0.53 0.00 -2.00 0.00 0.00 41.25 37.41 1hf3 s ASN 114 CO 0.29 -2.82 1.52 -0.67 -2.94 0.00 0.00 177.10 172.48 1hf3 n ASP 115 N -3.65 2.64 -0.12 3.54 2.03 -1.26 -4.66 116.55 115.07 1hf3 n ASP 115 Ca 0.13 -3.75 -0.24 0.00 0.52 0.00 0.00 54.79 51.44 1hf3 n ASP 115 Cb 0.51 -0.66 -0.11 0.00 -0.72 0.00 0.00 41.12 40.14 1hf3 n ASP 115 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1hf3 n LEU 116 N -1.11 2.33 0.06 -2.67 4.32 -1.26 -3.93 117.00 114.74 1hf3 n LEU 116 Ca 0.36 0.19 -0.12 0.00 -0.02 0.00 0.00 56.01 56.42 1hf3 n LEU 116 Cb 1.11 -0.90 -0.07 0.00 -1.62 0.00 0.00 43.42 41.94 1hf3 n LEU 116 CO 0.24 0.67 0.86 0.28 -1.22 0.00 0.00 177.39 178.22 1hf3 h SER 117 N -0.58 -0.05 -2.51 -1.43 0.02 -1.99 -3.36 113.55 103.65 1hf3 h SER 117 Ca -0.58 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.78 1hf3 h SER 117 Cb 1.70 0.01 -0.39 0.00 0.14 0.00 0.00 62.40 63.87 1hf3 h SER 117 CO -0.24 -0.03 -0.91 -0.04 -1.14 0.00 0.00 176.83 174.47 1hf3 s MET 118 N -6.18 1.12 -0.02 3.45 -1.94 -1.26 -5.12 119.30 109.34 1hf3 s MET 118 Ca -0.13 -2.24 -0.36 0.00 -1.71 0.00 0.00 55.69 51.24 1hf3 s MET 118 Cb 0.06 -1.72 -0.14 0.00 2.01 0.00 0.00 34.83 35.04 1hf3 s MET 118 CO 0.66 -1.36 1.65 -2.30 -0.01 0.00 0.00 175.02 173.66 1hf3 n PRO 119 N 2.80 1.73 -0.09 2.03 -0.02 -1.25 -4.87 135.00 135.32 1hf3 n PRO 119 Ca 0.27 0.63 -0.07 0.00 -2.02 0.00 0.00 63.50 62.30 1hf3 n PRO 119 Cb 0.45 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 1hf3 n PRO 119 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hf3 n ARG 120 N 4.60 0.74 -3.19 -0.52 1.74 -1.26 -4.56 116.66 114.21 1hf3 n ARG 120 Ca 0.21 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.10 1hf3 n ARG 120 Cb 0.23 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1hf3 n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hf3 n GLY 121 N 1.72 -0.09 3.39 -0.13 0.00 -1.26 -4.78 105.19 104.04 1hf3 n GLY 121 Ca -0.29 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1hf3 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hf3 s THR 122 N -3.23 0.47 1.04 2.61 -4.23 -1.26 -0.31 115.64 110.74 1hf3 s THR 122 Ca 0.31 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1hf3 s THR 122 Cb -0.14 -2.50 0.22 0.00 1.34 0.00 0.00 72.50 71.43 1hf3 s THR 122 CO 0.50 0.00 1.19 -0.04 -0.54 0.00 0.00 174.62 175.74 1hf3 s MET 123 N -3.78 0.02 0.57 3.99 -1.94 -0.36 -4.63 119.30 113.17 1hf3 s MET 123 Ca 0.33 -0.10 0.29 0.00 -1.71 0.00 0.00 55.69 54.50 1hf3 s MET 123 Cb 0.05 -1.74 1.70 0.00 2.01 0.00 0.00 34.83 36.84 1hf3 s MET 123 CO 0.17 -2.88 2.20 1.96 -0.01 0.00 0.00 175.02 176.46 1hf3 h GLN 124 N -1.98 0.00 -0.15 2.03 1.08 -1.97 -2.62 115.11 111.50 1hf3 h GLN 124 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1hf3 h GLN 124 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1hf3 h GLN 124 CO 0.42 0.04 0.00 -0.40 -0.95 0.00 0.00 178.83 177.94 1hf3 n ASP 125 N -3.79 1.44 0.00 1.46 5.75 -1.26 -4.89 116.55 115.26 1hf3 n ASP 125 Ca -0.03 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1hf3 n ASP 125 Cb 0.13 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1hf3 n ASP 125 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hf3 n GLY 126 N 1.08 0.79 3.52 6.12 0.00 -0.99 -5.05 105.19 110.66 1hf3 n GLY 126 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1hf3 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hf3 s THR 127 N -2.12 1.93 0.10 2.61 -4.23 -1.26 -4.82 115.64 107.84 1hf3 s THR 127 Ca 0.00 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.43 1hf3 s THR 127 Cb 0.00 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1hf3 s THR 127 CO 0.00 -0.17 0.06 -0.55 -0.54 0.00 0.00 174.62 173.42 1hf3 s SER 128 N -3.57 5.35 0.00 3.99 0.15 -1.26 -1.22 113.70 117.13 1hf3 s SER 128 Ca 0.33 -0.09 0.20 0.00 0.70 0.00 0.00 55.95 57.09 1hf3 s SER 128 Cb 0.05 -1.37 0.42 0.00 -1.71 0.00 0.00 66.02 63.41 1hf3 s SER 128 CO 0.15 0.16 1.36 0.54 1.20 0.00 0.00 173.24 176.65 1hf3 n ARG 129 N 0.36 2.45 -5.23 5.44 5.12 -1.26 -4.95 116.66 118.59 1hf3 n ARG 129 Ca -0.09 -2.24 -0.31 0.00 -1.93 0.00 0.00 57.85 53.28 1hf3 n ARG 129 Cb 0.52 -1.46 -0.16 0.00 -1.16 0.00 0.00 32.46 30.20 1hf3 n ARG 129 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1hf3 s PHE 130 N -1.25 2.33 -0.01 -1.55 0.08 -1.26 -0.57 117.98 115.75 1hf3 s PHE 130 Ca 0.36 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1hf3 s PHE 130 Cb 0.20 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 1hf3 s PHE 130 CO 0.28 -0.01 -0.06 0.99 -0.10 0.00 0.00 175.22 176.33 1hf3 s THR 131 N -0.65 0.49 -0.08 0.64 2.01 -0.79 -1.49 115.64 115.77 1hf3 s THR 131 Ca 0.10 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 1hf3 s THR 131 Cb -0.10 -0.44 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1hf3 s THR 131 CO -0.00 0.16 0.19 0.00 -0.69 0.00 0.00 174.62 174.27 1hf3 n ARG 133 N 3.88 -4.41 -0.78 0.00 5.12 -1.26 -0.12 116.66 119.08 1hf3 n ARG 133 Ca -0.22 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.50 1hf3 n ARG 133 Cb 0.54 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1hf3 n ARG 133 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hf3 n GLY 134 N -1.41 0.52 3.59 -0.13 0.00 -1.26 -5.00 105.19 101.50 1hf3 n GLY 134 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1hf3 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hf3 s LYS 135 N -0.49 2.35 0.08 1.61 1.02 0.83 -5.06 119.74 120.07 1hf3 s LYS 135 Ca 0.00 -0.87 -0.31 0.00 0.02 0.00 0.00 55.97 54.81 1hf3 s LYS 135 Cb 0.00 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1hf3 s LYS 135 CO 0.00 0.55 1.42 -1.25 -0.92 0.00 0.00 175.35 175.15 1hf3 s PRO 136 N -1.83 4.30 -0.06 -1.68 0.05 -1.26 0.17 135.00 134.69 1hf3 s PRO 136 Ca 0.20 2.07 -0.03 0.00 0.05 0.00 0.00 61.00 63.28 1hf3 s PRO 136 Cb -0.11 -3.37 -0.04 0.00 0.05 0.00 0.00 34.50 31.03 1hf3 s PRO 136 CO 0.11 -0.50 0.10 0.42 0.05 0.00 0.00 177.00 177.18 1hf3 s ILE 137 N 1.62 4.99 0.49 0.56 -1.09 -0.55 -4.90 121.20 122.32 1hf3 s ILE 137 Ca 0.65 -0.15 -0.20 0.00 -2.23 0.00 0.00 60.65 58.72 1hf3 s ILE 137 Cb -0.36 -3.22 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1hf3 s ILE 137 CO 0.29 0.48 1.03 -1.00 -1.23 0.00 0.00 174.94 174.51 1hf3 s HIS 138 N -1.10 3.05 0.76 3.97 3.76 -0.32 -4.44 115.29 120.96 1hf3 s HIS 138 Ca 0.19 1.57 -0.05 0.00 -0.15 0.00 0.00 55.06 56.62 1hf3 s HIS 138 Cb -0.12 -3.03 0.12 0.00 1.11 0.00 0.00 32.58 30.66 1hf3 s HIS 138 CO 0.09 -0.76 1.05 -1.01 -0.85 0.00 0.00 174.74 173.27 1hf3 s HIS 139 N -2.07 2.01 -0.25 1.40 3.76 0.58 -2.18 115.29 118.53 1hf3 s HIS 139 Ca 0.66 0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1hf3 s HIS 139 Cb -0.15 -3.27 0.08 0.00 1.11 0.00 0.00 32.58 30.35 1hf3 s HIS 139 CO 0.21 -1.78 0.08 0.12 -0.85 0.00 0.00 174.74 172.53 1hf3 s PHE 140 N -3.30 0.98 -1.73 1.40 5.36 -1.24 -4.33 117.98 115.12 1hf3 s PHE 140 Ca 0.66 -1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 55.53 1hf3 s PHE 140 Cb -0.07 -1.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 1hf3 s PHE 140 CO 0.46 -0.74 0.07 1.28 -1.46 0.00 0.00 175.22 174.82 1hf3 n LEU 141 N 5.06 -1.99 -1.48 6.12 4.77 -1.26 -0.58 117.00 127.64 1hf3 n LEU 141 Ca -0.06 -0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 1hf3 n LEU 141 Cb 0.44 -2.91 -0.07 0.00 -2.33 0.00 0.00 43.42 38.55 1hf3 n LEU 141 CO 0.10 -0.16 -0.18 0.61 -1.33 0.00 0.00 177.39 176.42 1hf3 n GLY 142 N -1.06 1.51 0.80 -0.72 0.00 -1.26 -4.41 105.19 100.05 1hf3 n GLY 142 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1hf3 n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hf3 n THR 143 N -2.66 0.00 -2.98 2.61 -2.24 0.26 -4.58 114.28 104.68 1hf3 n THR 143 Ca -0.19 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1hf3 n THR 143 Cb 0.61 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1hf3 n THR 143 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hf3 n SER 144 N -2.13 -7.58 -0.55 3.42 7.64 -0.84 -4.69 113.62 108.89 1hf3 n SER 144 Ca 0.00 0.33 0.11 0.00 1.01 0.00 0.00 58.87 60.32 1hf3 n SER 144 Cb 0.00 -4.86 0.01 0.00 -1.01 0.00 0.00 64.21 58.35 1hf3 n SER 144 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1hf3 n THR 145 N -0.56 0.00 -1.59 0.44 -2.24 -0.24 -4.45 114.28 105.63 1hf3 n THR 145 Ca 0.07 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1hf3 n THR 145 Cb 0.50 1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 1hf3 n THR 145 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1hf3 n PHE 146 N 0.15 1.95 -3.62 4.78 3.72 -0.43 -4.81 117.46 119.20 1hf3 n PHE 146 Ca 0.10 -2.48 -0.15 0.00 -0.05 0.00 0.00 57.45 54.87 1hf3 n PHE 146 Cb 0.48 -1.83 -0.06 0.00 -0.94 0.00 0.00 39.48 37.13 1hf3 n PHE 146 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1hf3 s SER 147 N 0.97 -0.41 0.42 4.37 0.15 -1.26 -0.24 113.70 117.69 1hf3 s SER 147 Ca 0.60 0.27 0.15 0.00 0.70 0.00 0.00 55.95 57.67 1hf3 s SER 147 Cb 0.25 0.45 0.91 0.00 -1.71 0.00 0.00 66.02 65.92 1hf3 s SER 147 CO -0.11 -0.62 1.91 -0.61 1.20 0.00 0.00 173.24 175.02 1hf3 h GLN 148 N 3.12 0.00 -4.67 5.44 -0.00 -1.49 -3.41 115.11 114.10 1hf3 h GLN 148 Ca -0.30 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.05 1hf3 h GLN 148 Cb 1.18 0.00 -0.22 0.00 0.00 0.00 0.00 27.48 28.45 1hf3 h GLN 148 CO 0.41 0.27 -0.74 0.71 0.00 0.00 0.00 178.83 179.48 1hf3 s TYR 149 N -4.34 0.74 0.20 3.99 1.51 -1.26 0.08 117.35 118.27 1hf3 s TYR 149 Ca -0.03 -0.46 -0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1hf3 s TYR 149 Cb 0.15 -0.44 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 1hf3 s TYR 149 CO 0.70 -0.06 0.28 -0.08 -1.11 0.00 0.00 175.55 175.28 1hf3 s THR 150 N -1.27 0.03 -0.08 -0.71 -1.32 -0.56 -4.95 115.64 106.79 1hf3 s THR 150 Ca -0.08 -1.62 0.02 0.00 -1.21 0.00 0.00 61.69 58.80 1hf3 s THR 150 Cb -0.09 -2.17 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1hf3 s THR 150 CO 0.01 -0.13 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.48 1hf3 s VAL 151 N -4.05 1.13 0.11 5.08 1.01 -1.26 -0.88 120.40 121.55 1hf3 s VAL 151 Ca 0.26 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1hf3 s VAL 151 Cb 0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1hf3 s VAL 151 CO 0.07 0.36 -0.15 0.68 0.00 0.00 0.00 175.10 176.06 1hf3 s VAL 152 N 0.90 1.36 0.69 2.92 -7.23 0.17 -4.83 120.40 114.38 1hf3 s VAL 152 Ca -0.10 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 1hf3 s VAL 152 Cb -0.15 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1hf3 s VAL 152 CO 0.01 -0.34 1.11 -1.81 -0.31 0.00 0.00 175.10 173.75 1hf3 s ASP 153 N -2.29 4.96 0.41 4.85 1.01 -1.26 -0.82 116.67 123.53 1hf3 s ASP 153 Ca 0.07 1.96 0.07 0.00 0.71 0.00 0.00 52.55 55.36 1hf3 s ASP 153 Cb -0.06 -2.54 0.86 0.00 1.01 0.00 0.00 42.92 42.18 1hf3 s ASP 153 CO 0.03 -1.73 2.05 -0.08 0.21 0.00 0.00 175.17 175.65 1hf3 h GLU 154 N -0.24 0.51 0.00 8.23 4.81 -0.57 0.18 114.58 127.50 1hf3 h GLU 154 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1hf3 h GLU 154 Cb 1.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1hf3 h GLU 154 CO 0.53 0.36 0.00 0.44 -0.73 0.00 0.00 179.01 179.61 1hf3 n ILE 155 N -4.46 0.92 -1.37 2.32 -5.35 -1.26 -2.66 119.36 107.50 1hf3 n ILE 155 Ca 0.03 0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.66 1hf3 n ILE 155 Cb 0.07 -1.23 0.18 0.00 -1.74 0.00 0.00 39.64 36.93 1hf3 n ILE 155 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1hf3 n SER 156 N -2.12 3.36 -3.77 7.28 7.64 0.62 -2.05 113.62 124.58 1hf3 n SER 156 Ca 0.02 -3.71 -0.13 0.00 1.01 0.00 0.00 58.87 56.06 1hf3 n SER 156 Cb 0.19 -0.74 -0.12 0.00 -1.01 0.00 0.00 64.21 62.53 1hf3 n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hf3 s VAL 157 N -3.39 -0.01 -0.06 0.44 0.11 -1.09 -0.46 120.40 115.94 1hf3 s VAL 157 Ca 0.51 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.65 1hf3 s VAL 157 Cb 0.45 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.90 1hf3 s VAL 157 CO 0.05 0.01 -0.24 0.00 -3.33 0.00 0.00 175.10 171.59 1hf3 s ALA 158 N 0.38 2.21 0.03 1.54 0.00 -0.80 -4.93 121.76 120.20 1hf3 s ALA 158 Ca -0.02 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1hf3 s ALA 158 Cb -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1hf3 s ALA 158 CO -0.02 0.41 1.04 0.21 0.00 0.00 0.00 175.76 177.40 1hf3 s LYS 159 N -0.13 4.54 0.43 0.00 2.20 -1.26 -1.42 119.74 124.10 1hf3 s LYS 159 Ca -0.04 1.52 0.07 0.00 -0.36 0.00 0.00 55.97 57.16 1hf3 s LYS 159 Cb -0.14 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1hf3 s LYS 159 CO 0.04 -0.08 0.17 0.96 -0.36 0.00 0.00 175.35 176.08 1hf3 s ILE 160 N 0.91 2.13 0.04 5.43 -4.36 -0.43 -4.61 121.20 120.30 1hf3 s ILE 160 Ca 0.53 -1.72 -0.35 0.00 -0.26 0.00 0.00 60.65 58.85 1hf3 s ILE 160 Cb -0.24 -2.85 -0.14 0.00 1.25 0.00 0.00 42.46 40.49 1hf3 s ILE 160 CO 0.29 0.00 1.65 -0.67 0.24 0.00 0.00 174.94 176.45 1hf3 n ASP 161 N -1.27 2.94 0.25 4.36 -0.08 -1.26 -4.44 116.55 117.05 1hf3 n ASP 161 Ca -0.03 1.05 0.18 0.00 -1.51 0.00 0.00 54.79 54.48 1hf3 n ASP 161 Cb 0.65 -1.35 0.87 0.00 2.34 0.00 0.00 41.12 43.63 1hf3 n ASP 161 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hf3 h ALA 162 N 6.83 1.58 -0.46 -1.67 0.00 -1.98 0.33 119.26 123.88 1hf3 h ALA 162 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hf3 h ALA 162 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1hf3 h ALA 162 CO 0.90 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1hf3 n ALA 163 N -2.14 2.43 -1.78 0.00 0.00 -1.26 -4.93 120.51 112.82 1hf3 n ALA 163 Ca 0.01 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 52.11 1hf3 n ALA 163 Cb 0.36 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1hf3 n ALA 163 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hf3 s SER 164 N -1.27 6.95 -0.78 0.00 1.04 0.12 -4.94 113.70 114.82 1hf3 s SER 164 Ca 0.39 2.07 -0.26 0.00 0.48 0.00 0.00 55.95 58.63 1hf3 s SER 164 Cb 0.21 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.76 1hf3 s SER 164 CO 0.29 -0.35 1.41 -2.16 0.98 0.00 0.00 173.24 173.40 1hf3 s PRO 165 N -2.17 3.16 0.55 4.02 0.04 -1.26 -4.89 135.00 134.45 1hf3 s PRO 165 Ca 0.53 -0.28 0.22 0.00 0.04 0.00 0.00 61.00 61.52 1hf3 s PRO 165 Cb -0.24 -4.44 1.48 0.00 0.04 0.00 0.00 34.50 31.34 1hf3 s PRO 165 CO 0.30 -2.28 2.16 -0.07 0.04 0.00 0.00 177.00 177.15 1hf3 h LEU 166 N 13.60 0.00 -0.39 -3.56 3.38 -1.97 -0.12 115.31 126.25 1hf3 h LEU 166 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1hf3 h LEU 166 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1hf3 h LEU 166 CO 1.29 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 179.20 1hf3 n GLU 167 N -4.25 0.11 -0.03 1.13 4.71 -1.26 -2.74 120.64 118.30 1hf3 n GLU 167 Ca -0.01 0.35 -0.04 0.00 -0.01 0.00 0.00 57.16 57.44 1hf3 n GLU 167 Cb 0.17 -1.71 -0.03 0.00 -1.01 0.00 0.00 31.44 28.85 1hf3 n GLU 167 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1hf3 n LYS 168 N -1.92 0.30 -0.01 3.49 5.02 -0.29 -4.71 118.16 120.05 1hf3 n LYS 168 Ca 0.03 0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.48 1hf3 n LYS 168 Cb 0.21 -1.13 0.71 0.00 -0.02 0.00 0.00 35.03 34.80 1hf3 n LYS 168 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1hf3 n VAL 169 N -2.66 0.02 0.29 -0.18 0.24 -0.22 -2.67 118.33 113.16 1hf3 n VAL 169 Ca -0.11 -0.07 0.17 0.00 -2.04 0.00 0.00 64.34 62.29 1hf3 n VAL 169 Cb 0.62 -0.20 0.88 0.00 -1.47 0.00 0.00 33.84 33.68 1hf3 n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hf3 h LEU 171 N 0.00 0.00 -1.00 0.00 3.38 -1.83 -1.34 115.31 114.51 1hf3 h LEU 171 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hf3 h LEU 171 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1hf3 h LEU 171 CO 0.01 0.10 0.00 0.40 0.09 0.00 0.00 178.44 179.04 1hf3 h ILE 172 N 0.00 0.00 0.00 1.22 2.04 -1.13 -2.04 117.51 117.60 1hf3 h ILE 172 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1hf3 h ILE 172 Cb 0.59 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1hf3 h ILE 172 CO 0.01 0.00 0.00 1.23 0.00 0.00 0.00 178.15 179.39 1hf3 h GLY 173 N 2.30 0.00 0.00 5.37 0.00 -1.35 -3.40 103.07 105.99 1hf3 h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hf3 h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1hf3 h GLY 175 N 0.00 0.09 0.72 0.00 0.00 -1.84 0.59 103.07 102.63 1hf3 h GLY 175 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1hf3 h GLY 175 CO 0.00 -0.22 -0.12 -2.75 0.00 0.00 0.00 176.54 173.45 1hf3 h PHE 176 N -0.12 -0.30 -0.86 5.60 3.57 -1.66 -2.27 116.94 120.90 1hf3 h PHE 176 Ca 0.25 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1hf3 h PHE 176 Cb 0.52 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1hf3 h PHE 176 CO -0.58 -0.00 0.56 0.77 -2.23 0.00 0.00 178.31 176.83 1hf3 h SER 177 N -0.61 1.00 0.28 0.41 0.02 -1.62 0.60 113.55 113.64 1hf3 h SER 177 Ca -0.03 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1hf3 h SER 177 Cb 0.44 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1hf3 h SER 177 CO 0.06 0.74 -0.14 0.74 -1.14 0.00 0.00 176.83 177.09 1hf3 h THR 178 N 1.17 0.74 0.51 -2.27 2.02 -0.91 0.11 112.91 114.29 1hf3 h THR 178 Ca 0.31 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1hf3 h THR 178 Cb -0.12 0.85 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1hf3 h THR 178 CO -0.07 0.04 -0.25 1.23 0.37 0.00 0.00 175.52 176.85 1hf3 h GLY 179 N -0.48 -0.72 0.20 2.16 0.00 -1.01 -1.06 103.07 102.16 1hf3 h GLY 179 Ca -0.04 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.65 1hf3 h GLY 179 CO 0.06 -0.26 -0.01 -1.82 0.00 0.00 0.00 176.54 174.51 1hf3 h TYR 180 N -0.82 -0.06 -0.28 5.60 3.20 -0.67 -1.92 116.97 122.03 1hf3 h TYR 180 Ca -0.07 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1hf3 h TYR 180 Cb 0.58 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1hf3 h TYR 180 CO -0.01 -0.12 -0.24 0.78 -1.64 0.00 0.00 178.16 176.93 1hf3 h GLY 181 N 0.10 0.59 0.68 1.82 0.00 -0.82 -0.72 103.07 104.72 1hf3 h GLY 181 Ca 0.24 -0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.17 1hf3 h GLY 181 CO -0.41 0.44 0.63 1.76 0.00 0.00 0.00 176.54 178.96 1hf3 h SER 182 N 0.48 0.97 0.02 0.19 0.02 -0.38 0.87 113.55 115.71 1hf3 h SER 182 Ca 0.07 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1hf3 h SER 182 Cb 0.67 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1hf3 h SER 182 CO 0.05 0.59 -0.01 0.00 -1.14 0.00 0.00 176.83 176.32 1hf3 h ALA 183 N 1.50 -0.02 0.00 3.77 0.00 -1.17 0.28 119.26 123.62 1hf3 h ALA 183 Ca 0.44 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1hf3 h ALA 183 Cb 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1hf3 h ALA 183 CO -0.19 -0.09 -1.10 0.28 0.00 0.00 0.00 179.25 178.14 1hf3 h VAL 184 N -0.86 1.15 0.00 0.00 2.07 -0.95 -0.36 116.25 117.30 1hf3 h VAL 184 Ca -0.00 -2.78 -0.18 0.00 0.82 0.00 0.00 66.70 64.55 1hf3 h VAL 184 Cb 0.77 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1hf3 h VAL 184 CO 0.00 0.66 -1.70 1.17 0.02 0.00 0.00 177.57 177.72 1hf3 n LYS 185 N -3.19 1.26 -0.03 1.57 4.81 0.13 -4.05 118.16 118.66 1hf3 n LYS 185 Ca -0.05 0.04 -0.02 0.00 -0.87 0.00 0.00 58.31 57.41 1hf3 n LYS 185 Cb 0.90 -1.25 -0.01 0.00 0.02 0.00 0.00 35.03 34.70 1hf3 n LYS 185 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1hf3 h VAL 186 N 0.00 0.00 -0.56 3.15 2.07 -1.06 -3.39 116.25 116.46 1hf3 h VAL 186 Ca -0.27 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1hf3 h VAL 186 Cb 1.51 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1hf3 h VAL 186 CO -0.02 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.62 1hf3 h ALA 187 N -1.51 1.02 -4.64 1.67 0.00 -0.54 -3.48 119.26 111.78 1hf3 h ALA 187 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1hf3 h ALA 187 Cb 0.20 -0.22 0.13 0.00 0.00 0.00 0.00 17.79 17.90 1hf3 h ALA 187 CO 0.00 0.61 -0.57 1.63 0.00 0.00 0.00 179.25 180.92 1hf3 n LYS 188 N -4.21 -2.97 -1.66 0.00 5.02 -0.22 -4.93 118.16 109.18 1hf3 n LYS 188 Ca 0.03 0.60 -0.45 0.00 -2.02 0.00 0.00 58.31 56.47 1hf3 n LYS 188 Cb 0.30 -4.68 -0.03 0.00 -0.02 0.00 0.00 35.03 30.60 1hf3 n LYS 188 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hf3 n VAL 189 N -2.93 0.89 -4.00 -0.18 0.31 -0.74 -4.98 118.33 106.70 1hf3 n VAL 189 Ca -0.12 -0.22 -0.29 0.00 -0.01 0.00 0.00 64.34 63.69 1hf3 n VAL 189 Cb 0.60 -1.42 -0.05 0.00 -0.91 0.00 0.00 33.84 32.06 1hf3 n VAL 189 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1hf3 s THR 190 N -0.02 4.90 0.18 2.52 -4.23 -1.26 -4.82 115.64 112.92 1hf3 s THR 190 Ca 0.69 -0.68 -0.33 0.00 -1.18 0.00 0.00 61.69 60.19 1hf3 s THR 190 Cb -0.67 -3.41 -0.13 0.00 1.34 0.00 0.00 72.50 69.63 1hf3 s THR 190 CO 0.49 0.07 1.60 1.67 -0.54 0.00 0.00 174.62 177.92 1hf3 n GLN 191 N 0.17 2.32 -0.42 3.99 -0.06 -1.21 -1.71 117.38 120.45 1hf3 n GLN 191 Ca -0.07 0.84 0.00 0.00 -2.00 0.00 0.00 57.00 55.76 1hf3 n GLN 191 Cb 0.52 -2.62 0.00 0.00 -4.06 0.00 0.00 30.24 24.08 1hf3 n GLN 191 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hf3 n GLY 192 N 3.42 1.23 3.81 1.69 0.00 -0.54 -4.92 105.19 109.88 1hf3 n GLY 192 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1hf3 n GLY 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hf3 s SER 193 N -3.11 3.43 -0.11 1.61 1.04 -0.70 -4.17 113.70 111.69 1hf3 s SER 193 Ca 0.00 0.82 -0.01 0.00 0.48 0.00 0.00 55.95 57.24 1hf3 s SER 193 Cb 0.00 -1.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 1hf3 s SER 193 CO 0.00 -2.59 -0.08 -0.89 0.98 0.00 0.00 173.24 170.67 1hf3 s THR 194 N -3.39 3.59 0.07 2.02 2.01 -1.26 -0.08 115.64 118.60 1hf3 s THR 194 Ca 0.65 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1hf3 s THR 194 Cb -0.12 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1hf3 s THR 194 CO 0.53 0.54 -0.13 0.00 -0.69 0.00 0.00 174.62 174.87 1hf3 s ALA 196 N -1.38 1.26 -0.23 0.00 0.00 -0.34 -0.18 121.76 120.89 1hf3 s ALA 196 Ca -0.03 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1hf3 s ALA 196 Cb -0.09 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.59 1hf3 s ALA 196 CO 0.02 0.18 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 1hf3 s VAL 197 N 0.34 1.79 -0.38 0.00 1.01 -0.22 -0.70 120.40 122.24 1hf3 s VAL 197 Ca -0.08 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.40 1hf3 s VAL 197 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1hf3 s VAL 197 CO 0.02 0.01 0.58 -0.36 0.00 0.00 0.00 175.10 175.35 1hf3 s PHE 198 N 1.29 3.14 0.00 5.22 0.40 -0.22 -0.63 117.98 127.18 1hf3 s PHE 198 Ca -0.05 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1hf3 s PHE 198 Cb -0.18 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.25 1hf3 s PHE 198 CO -0.06 -0.67 0.00 0.41 0.70 0.00 0.00 175.22 175.59 1hf3 n GLY 199 N 4.86 1.82 2.22 4.36 0.00 -0.26 0.49 105.19 118.68 1hf3 n GLY 199 Ca -0.03 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 1hf3 n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hf3 n LEU 200 N 0.00 5.56 0.00 0.99 4.77 -1.26 -4.00 117.00 123.06 1hf3 n LEU 200 Ca 0.00 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 1hf3 n LEU 200 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1hf3 n LEU 200 CO 0.00 1.99 0.00 0.61 -1.33 0.00 0.00 177.39 178.66 1hf3 n GLY 201 N -0.70 -0.72 0.23 -0.72 0.00 -1.26 -4.67 105.19 97.35 1hf3 n GLY 201 Ca 0.47 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1hf3 n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hf3 h GLY 202 N 0.00 0.72 0.67 -0.02 0.00 -1.92 -0.56 103.07 101.96 1hf3 h GLY 202 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1hf3 h GLY 202 CO 0.00 -0.17 -0.28 -2.08 0.00 0.00 0.00 176.54 174.01 1hf3 h VAL 203 N 0.18 1.43 -0.86 4.60 2.07 -1.93 -2.80 116.25 118.94 1hf3 h VAL 203 Ca 0.32 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1hf3 h VAL 203 Cb 0.52 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1hf3 h VAL 203 CO -0.48 0.48 0.46 1.23 0.02 0.00 0.00 177.57 179.28 1hf3 h GLY 204 N -0.18 1.28 1.81 2.17 0.00 -1.57 -1.47 103.07 105.11 1hf3 h GLY 204 Ca -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1hf3 h GLY 204 CO 0.06 0.56 0.00 1.41 0.00 0.00 0.00 176.54 178.57 1hf3 h LEU 205 N 1.20 0.23 -0.66 3.11 3.38 -1.17 -0.49 115.31 120.90 1hf3 h LEU 205 Ca 0.30 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1hf3 h LEU 205 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1hf3 h LEU 205 CO -0.05 0.27 -0.66 0.28 0.09 0.00 0.00 178.44 178.38 1hf3 h SER 206 N 0.25 0.07 -0.30 -0.43 0.02 -1.07 -1.22 113.55 110.88 1hf3 h SER 206 Ca 0.06 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 1hf3 h SER 206 Cb 0.17 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1hf3 h SER 206 CO 0.00 0.71 -0.18 0.58 -1.14 0.00 0.00 176.83 176.80 1hf3 h VAL 207 N 0.04 1.30 -0.80 2.27 2.07 -0.51 -0.64 116.25 119.98 1hf3 h VAL 207 Ca -0.01 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.24 1hf3 h VAL 207 Cb 1.17 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 1hf3 h VAL 207 CO 0.09 0.41 0.51 0.40 0.02 0.00 0.00 177.57 179.01 1hf3 h ILE 208 N 0.39 1.14 -0.40 4.57 2.04 -0.81 0.13 117.51 124.58 1hf3 h ILE 208 Ca 0.06 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1hf3 h ILE 208 Cb 0.71 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1hf3 h ILE 208 CO 0.05 0.19 0.00 0.24 0.00 0.00 0.00 178.15 178.63 1hf3 h MET 209 N 1.01 0.64 -0.13 2.37 2.86 -0.96 -1.01 114.93 119.72 1hf3 h MET 209 Ca 0.31 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 1hf3 h MET 209 Cb -0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1hf3 h MET 209 CO -0.10 0.66 -0.53 0.78 1.06 0.00 0.00 176.91 178.78 1hf3 h GLY 210 N 0.91 0.40 0.82 8.32 0.00 0.02 0.52 103.07 114.05 1hf3 h GLY 210 Ca 0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1hf3 h GLY 210 CO 0.01 0.40 0.01 0.00 0.00 0.00 0.00 176.54 176.97 1hf3 h LYS 212 N 0.09 0.46 -0.64 0.00 3.64 -1.10 -1.25 116.57 117.77 1hf3 h LYS 212 Ca 0.05 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1hf3 h LYS 212 Cb 0.36 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1hf3 h LYS 212 CO 0.01 0.32 0.42 0.00 -2.27 0.00 0.00 179.45 177.93 1hf3 h ALA 213 N 1.11 1.55 0.00 5.00 0.00 -0.83 0.14 119.26 126.24 1hf3 h ALA 213 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hf3 h ALA 213 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1hf3 h ALA 213 CO -0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1hf3 n ALA 214 N -2.44 1.96 -0.35 0.00 0.00 -0.20 -4.90 120.51 114.58 1hf3 n ALA 214 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1hf3 n ALA 214 Cb 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1hf3 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hf3 n GLY 215 N 0.66 1.03 3.64 0.00 0.00 0.04 -3.28 105.19 107.28 1hf3 n GLY 215 Ca 0.05 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1hf3 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf3 n ALA 216 N -1.13 0.55 0.01 4.61 0.00 -0.53 -1.47 120.51 122.55 1hf3 n ALA 216 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1hf3 n ALA 216 Cb 0.04 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.24 1hf3 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hf3 n ALA 217 N -0.40 1.84 -3.72 0.00 0.00 0.88 -4.74 120.51 114.39 1hf3 n ALA 217 Ca 0.09 -0.64 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 1hf3 n ALA 217 Cb 0.39 -0.87 -0.17 0.00 0.00 0.00 0.00 19.45 18.80 1hf3 n ALA 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1hf3 s ARG 218 N -2.85 0.21 -0.27 0.00 3.52 -1.00 -4.96 118.95 113.60 1hf3 s ARG 218 Ca -0.04 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 1hf3 s ARG 218 Cb 0.09 -0.56 0.08 0.00 -1.56 0.00 0.00 34.95 32.99 1hf3 s ARG 218 CO 0.82 -0.23 0.01 0.42 -0.81 0.00 0.00 175.30 175.51 1hf3 s ILE 219 N 1.55 1.40 -0.29 4.11 1.01 -1.26 0.49 121.20 128.22 1hf3 s ILE 219 Ca -0.02 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 59.10 1hf3 s ILE 219 Cb -0.13 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1hf3 s ILE 219 CO -0.03 -0.33 0.34 -0.63 0.00 0.00 0.00 174.94 174.29 1hf3 s ILE 220 N 1.41 5.19 -0.01 2.92 1.01 0.74 -0.31 121.20 132.15 1hf3 s ILE 220 Ca 0.01 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 1hf3 s ILE 220 Cb -0.18 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1hf3 s ILE 220 CO -0.11 0.12 0.40 -0.83 0.00 0.00 0.00 174.94 174.52 1hf3 s GLY 221 N 1.68 2.46 -0.08 6.18 0.00 -0.73 -1.05 107.32 115.79 1hf3 s GLY 221 Ca 0.13 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.64 1hf3 s GLY 221 CO 0.11 0.18 -0.15 0.14 0.00 0.00 0.00 173.10 173.38 1hf3 s VAL 222 N -0.93 1.38 -0.06 1.40 1.01 0.20 -0.82 120.40 122.57 1hf3 s VAL 222 Ca 0.23 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 1hf3 s VAL 222 Cb -0.16 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1hf3 s VAL 222 CO 0.13 0.41 0.68 -0.62 0.00 0.00 0.00 175.10 175.70 1hf3 s ASP 223 N 0.74 -0.67 0.00 3.32 -1.08 -0.92 -1.10 116.67 116.95 1hf3 s ASP 223 Ca -0.12 0.76 0.27 0.00 -0.52 0.00 0.00 52.55 52.93 1hf3 s ASP 223 Cb -0.16 0.59 0.80 0.00 -1.46 0.00 0.00 42.92 42.70 1hf3 s ASP 223 CO 0.03 -0.59 1.60 2.30 0.52 0.00 0.00 175.17 179.03 1hf3 n ILE 224 N 1.01 0.00 -3.51 4.11 -5.35 -1.26 -3.97 119.36 110.40 1hf3 n ILE 224 Ca -0.19 -0.05 -0.42 0.00 -0.27 0.00 0.00 62.75 61.82 1hf3 n ILE 224 Cb 0.57 0.15 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 1hf3 n ILE 224 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1hf3 s ASN 225 N -2.75 5.93 0.50 7.28 3.84 -1.26 -4.96 114.94 123.53 1hf3 s ASN 225 Ca 0.19 -2.35 0.34 0.00 0.21 0.00 0.00 52.86 51.25 1hf3 s ASN 225 Cb 0.19 -2.05 1.67 0.00 -0.55 0.00 0.00 41.25 40.51 1hf3 s ASN 225 CO 0.58 -0.60 2.02 0.07 -2.79 0.00 0.00 177.10 176.39 1hf3 h LYS 226 N 7.96 0.00 0.00 0.43 2.10 -1.98 -1.70 116.57 123.38 1hf3 h LYS 226 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1hf3 h LYS 226 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1hf3 h LYS 226 CO 0.81 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.82 1hf3 h ASP 227 N 0.00 0.00 1.14 7.07 3.32 -1.96 -2.03 116.42 123.96 1hf3 h ASP 227 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hf3 h ASP 227 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1hf3 h ASP 227 CO 0.00 0.00 -0.20 0.29 -1.72 0.00 0.00 179.24 177.61 1hf3 n LYS 228 N -2.37 0.19 -0.29 3.56 4.76 -0.64 -4.15 118.16 119.23 1hf3 n LYS 228 Ca 0.00 0.12 -0.04 0.00 -2.87 0.00 0.00 58.31 55.52 1hf3 n LYS 228 Cb 0.16 -1.69 0.10 0.00 -1.84 0.00 0.00 35.03 31.77 1hf3 n LYS 228 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1hf3 h PHE 229 N 0.00 1.17 -0.36 2.13 0.04 -1.53 -1.72 116.94 116.66 1hf3 h PHE 229 Ca 0.00 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.73 1hf3 h PHE 229 Cb 0.67 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1hf3 h PHE 229 CO 0.00 0.85 0.21 0.00 -0.60 0.00 0.00 178.31 178.77 1hf3 h ALA 230 N 1.26 0.45 -0.61 2.45 0.00 -1.78 0.57 119.26 121.61 1hf3 h ALA 230 Ca 0.28 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1hf3 h ALA 230 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1hf3 h ALA 230 CO -0.03 -0.14 0.19 -0.22 0.00 0.00 0.00 179.25 179.04 1hf3 h LYS 231 N 0.43 0.94 -0.71 0.00 1.63 -1.82 -0.27 116.57 116.78 1hf3 h LYS 231 Ca 0.14 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1hf3 h LYS 231 Cb 0.01 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 1hf3 h LYS 231 CO -0.07 0.84 0.44 0.00 -3.45 0.00 0.00 179.45 177.21 1hf3 h ALA 232 N 1.06 0.90 -0.63 5.00 0.00 -0.34 -1.04 119.26 124.21 1hf3 h ALA 232 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1hf3 h ALA 232 Cb 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1hf3 h ALA 232 CO -0.01 0.36 0.39 0.87 0.00 0.00 0.00 179.25 180.86 1hf3 h LYS 233 N 0.96 0.75 -0.96 0.00 1.57 -0.29 0.11 116.57 118.71 1hf3 h LYS 233 Ca 0.26 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1hf3 h LYS 233 Cb -0.06 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.03 1hf3 h LYS 233 CO -0.05 0.49 0.64 0.93 -0.57 0.00 0.00 179.45 180.89 1hf3 h GLU 234 N 0.77 1.27 -0.09 3.15 5.08 -0.50 -2.27 114.58 121.99 1hf3 h GLU 234 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1hf3 h GLU 234 Cb 0.01 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1hf3 h GLU 234 CO -0.10 0.84 0.00 1.33 -1.00 0.00 0.00 179.01 180.08 1hf3 n VAL 235 N -4.39 0.09 0.00 3.13 0.24 -0.45 -4.92 118.33 112.04 1hf3 n VAL 235 Ca 0.11 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1hf3 n VAL 235 Cb 0.02 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1hf3 n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hf3 n GLY 236 N 1.21 0.10 3.77 7.63 0.00 -0.49 -4.30 105.19 113.10 1hf3 n GLY 236 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1hf3 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf3 s ALA 237 N 0.00 3.58 -0.15 4.61 0.00 0.27 -4.69 121.76 125.38 1hf3 s ALA 237 Ca 0.00 1.45 0.18 0.00 0.00 0.00 0.00 51.96 53.59 1hf3 s ALA 237 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1hf3 s ALA 237 CO 0.00 -0.89 0.90 1.79 0.00 0.00 0.00 175.76 177.57 1hf3 h THR 238 N 3.12 0.38 -3.16 0.00 1.35 -0.99 -3.39 112.91 110.21 1hf3 h THR 238 Ca -0.49 -1.75 -0.10 0.00 -0.55 0.00 0.00 66.41 63.53 1hf3 h THR 238 Cb 1.23 1.91 -0.18 0.00 -1.73 0.00 0.00 68.15 69.39 1hf3 h THR 238 CO 0.68 0.22 -0.22 -1.61 -0.25 0.00 0.00 175.52 174.34 1hf3 s GLU 239 N -3.04 0.80 -0.02 4.72 2.02 -1.19 -5.01 118.70 116.98 1hf3 s GLU 239 Ca -0.02 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.60 1hf3 s GLU 239 Cb 0.09 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1hf3 s GLU 239 CO 0.80 -0.25 -0.09 0.00 0.02 0.00 0.00 175.26 175.74 1hf3 s VAL 241 N 0.17 1.30 -0.32 0.00 -7.23 -0.00 -4.94 120.40 109.37 1hf3 s VAL 241 Ca -0.03 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.41 1hf3 s VAL 241 Cb -0.08 -1.09 0.04 0.00 0.56 0.00 0.00 36.38 35.81 1hf3 s VAL 241 CO 0.00 0.37 0.07 0.21 -0.31 0.00 0.00 175.10 175.44 1hf3 s ASN 242 N -0.28 5.16 0.63 4.85 2.47 -1.25 -2.17 114.94 124.34 1hf3 s ASN 242 Ca 0.04 -1.18 0.28 0.00 0.42 0.00 0.00 52.86 52.42 1hf3 s ASN 242 Cb -0.07 -1.81 1.47 0.00 -1.45 0.00 0.00 41.25 39.38 1hf3 s ASN 242 CO -0.00 -0.30 1.85 -0.65 -3.72 0.00 0.00 177.10 174.28 1hf3 h PRO 243 N 8.14 0.00 0.00 0.43 0.11 -1.96 -0.65 132.00 138.08 1hf3 h PRO 243 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1hf3 h PRO 243 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1hf3 h PRO 243 CO 0.58 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.41 1hf3 n GLN 244 N -3.28 0.22 0.11 1.05 6.02 -1.26 -3.21 117.38 117.03 1hf3 n GLN 244 Ca 0.04 0.01 0.12 0.00 -0.01 0.00 0.00 57.00 57.16 1hf3 n GLN 244 Cb 0.57 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.48 1hf3 n GLN 244 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1hf3 h ASP 245 N 0.00 0.00 -2.80 1.08 3.32 -1.54 -3.47 116.42 113.02 1hf3 h ASP 245 Ca 0.00 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.37 1hf3 h ASP 245 Cb 0.37 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1hf3 h ASP 245 CO 0.00 0.04 -0.51 -0.31 -1.72 0.00 0.00 179.24 176.74 1hf3 s TYR 246 N -3.22 3.41 -0.90 4.55 1.51 -1.20 -5.03 117.35 116.48 1hf3 s TYR 246 Ca 0.05 0.14 0.25 0.00 -1.01 0.00 0.00 57.07 56.50 1hf3 s TYR 246 Cb 0.11 -1.67 0.45 0.00 -0.11 0.00 0.00 41.96 40.73 1hf3 s TYR 246 CO 0.71 0.54 1.37 1.63 -1.11 0.00 0.00 175.55 178.70 1hf3 n LYS 247 N -0.07 0.08 -4.26 -0.62 5.02 -1.26 -4.87 118.16 112.18 1hf3 n LYS 247 Ca -0.07 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 1hf3 n LYS 247 Cb 0.53 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 1hf3 n LYS 247 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1hf3 s LYS 248 N -3.05 2.33 0.60 1.97 -2.85 -1.26 -5.09 119.74 112.39 1hf3 s LYS 248 Ca 0.09 -1.31 -0.19 0.00 -1.00 0.00 0.00 55.97 53.56 1hf3 s LYS 248 Cb 0.16 -2.23 -0.03 0.00 -2.06 0.00 0.00 37.83 33.67 1hf3 s LYS 248 CO 0.71 0.40 1.22 -0.35 0.10 0.00 0.00 175.35 177.43 1hf3 n PRO 249 N -0.62 1.25 0.21 1.78 -0.04 -1.26 -4.83 135.00 131.50 1hf3 n PRO 249 Ca -0.08 0.47 0.04 0.00 -0.04 0.00 0.00 63.50 63.90 1hf3 n PRO 249 Cb 0.58 -2.44 0.46 0.00 -0.04 0.00 0.00 33.50 32.06 1hf3 n PRO 249 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1hf3 h ILE 250 N 0.83 1.17 -0.72 0.52 6.09 -1.96 -2.47 117.51 120.97 1hf3 h ILE 250 Ca -0.50 -0.82 -0.03 0.00 -1.37 0.00 0.00 64.86 62.15 1hf3 h ILE 250 Cb 1.33 1.44 -0.03 0.00 0.47 0.00 0.00 36.82 40.03 1hf3 h ILE 250 CO 0.54 0.23 0.35 0.06 -3.07 0.00 0.00 178.15 176.26 1hf3 h GLN 251 N 0.00 1.04 -0.44 2.19 -0.00 -1.91 0.55 115.11 116.54 1hf3 h GLN 251 Ca -0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 1hf3 h GLN 251 Cb 0.42 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.48 27.69 1hf3 h GLN 251 CO 0.03 0.82 0.22 1.49 -0.00 0.00 0.00 178.83 181.38 1hf3 h GLU 252 N 1.01 0.64 -0.43 0.06 4.81 -1.83 0.39 114.58 119.23 1hf3 h GLU 252 Ca 0.25 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1hf3 h GLU 252 Cb 0.12 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1hf3 h GLU 252 CO -0.03 0.54 0.22 0.28 -0.73 0.00 0.00 179.01 179.29 1hf3 h VAL 253 N 0.58 0.98 -0.53 0.32 2.07 -0.88 -0.90 116.25 117.88 1hf3 h VAL 253 Ca 0.15 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1hf3 h VAL 253 Cb 0.11 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1hf3 h VAL 253 CO -0.02 0.08 -0.06 -0.07 0.02 0.00 0.00 177.57 177.52 1hf3 h LEU 254 N 0.44 0.94 -0.64 2.57 3.38 0.26 0.40 115.31 122.66 1hf3 h LEU 254 Ca 0.18 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1hf3 h LEU 254 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1hf3 h LEU 254 CO -0.12 1.04 -0.09 0.74 0.09 0.00 0.00 178.44 180.09 1hf3 h THR 255 N 0.87 1.26 -0.19 0.22 2.02 0.29 -2.18 112.91 115.21 1hf3 h THR 255 Ca 0.15 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.05 1hf3 h THR 255 Cb 0.59 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1hf3 h THR 255 CO 0.04 0.43 -0.08 -0.33 0.37 0.00 0.00 175.52 175.95 1hf3 h GLU 256 N 0.87 0.39 -0.05 6.66 5.08 -0.79 0.22 114.58 126.95 1hf3 h GLU 256 Ca 0.14 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1hf3 h GLU 256 Cb 0.64 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1hf3 h GLU 256 CO 0.04 0.67 0.02 0.52 -1.00 0.00 0.00 179.01 179.26 1hf3 h MET 257 N 0.08 0.07 -0.68 2.33 2.86 -0.89 -1.72 114.93 116.98 1hf3 h MET 257 Ca 0.04 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1hf3 h MET 257 Cb 0.55 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1hf3 h MET 257 CO 0.03 0.06 0.00 -1.13 1.06 0.00 0.00 176.91 176.93 1hf3 n SER 258 N -4.51 4.13 -3.48 1.22 3.41 -0.82 -4.98 113.62 108.59 1hf3 n SER 258 Ca -0.02 -2.14 -0.19 0.00 -0.26 0.00 0.00 58.87 56.26 1hf3 n SER 258 Cb 0.10 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1hf3 n SER 258 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hf3 n ASN 259 N 1.40 -3.13 0.00 4.04 3.02 -0.65 -3.86 115.26 116.08 1hf3 n ASN 259 Ca 0.24 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1hf3 n ASN 259 Cb 0.69 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 1hf3 n ASN 259 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hf3 n GLY 260 N -1.31 0.85 0.00 7.41 0.00 0.71 -5.03 105.19 107.81 1hf3 n GLY 260 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1hf3 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf3 n GLY 261 N -0.75 3.62 3.88 -0.02 0.00 -1.18 -4.38 105.19 106.36 1hf3 n GLY 261 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 1hf3 n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hf3 s VAL 262 N -2.13 3.60 -0.01 1.61 -7.23 -0.46 -4.27 120.40 111.50 1hf3 s VAL 262 Ca 0.00 0.51 -0.21 0.00 -1.81 0.00 0.00 61.98 60.47 1hf3 s VAL 262 Cb 0.00 -3.51 -0.24 0.00 0.56 0.00 0.00 36.38 33.19 1hf3 s VAL 262 CO 0.00 -0.67 1.07 0.44 -0.31 0.00 0.00 175.10 175.62 1hf3 h ASP 263 N -0.61 0.48 -3.70 4.85 3.32 -1.54 0.22 116.42 119.42 1hf3 h ASP 263 Ca -0.45 -0.78 -0.45 0.00 0.02 0.00 0.00 57.03 55.36 1hf3 h ASP 263 Cb 1.25 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 1hf3 h ASP 263 CO 0.64 1.20 -0.80 -0.36 -1.72 0.00 0.00 179.24 178.20 1hf3 s PHE 264 N -3.11 1.09 0.03 4.55 0.08 -0.98 -1.64 117.98 118.00 1hf3 s PHE 264 Ca -0.14 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1hf3 s PHE 264 Cb 0.03 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 1hf3 s PHE 264 CO 0.81 -0.15 -0.15 -1.54 -0.10 0.00 0.00 175.22 174.09 1hf3 s SER 265 N 0.36 1.76 -0.06 1.36 1.04 0.35 -1.19 113.70 117.31 1hf3 s SER 265 Ca -0.06 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1hf3 s SER 265 Cb -0.11 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.89 1hf3 s SER 265 CO 0.01 0.07 -0.13 -0.36 0.98 0.00 0.00 173.24 173.81 1hf3 s PHE 266 N -0.76 1.51 -0.36 5.02 0.40 0.12 -0.58 117.98 123.33 1hf3 s PHE 266 Ca 0.03 -0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 1hf3 s PHE 266 Cb -0.08 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.38 1hf3 s PHE 266 CO 0.01 -0.25 0.25 -2.00 0.70 0.00 0.00 175.22 173.93 1hf3 s GLU 267 N 0.49 3.22 -0.33 0.44 -6.30 0.05 -1.05 118.70 115.21 1hf3 s GLU 267 Ca -0.12 -0.83 0.10 0.00 -2.50 0.00 0.00 54.97 51.62 1hf3 s GLU 267 Cb -0.14 -3.83 0.46 0.00 0.00 0.00 0.00 34.13 30.62 1hf3 s GLU 267 CO 0.03 -0.57 1.13 0.28 0.02 0.00 0.00 175.26 176.15 1hf3 n VAL 268 N 5.09 2.14 0.07 3.70 0.31 0.18 -0.19 118.33 129.65 1hf3 n VAL 268 Ca -0.12 -4.12 0.00 0.00 -0.01 0.00 0.00 64.34 60.09 1hf3 n VAL 268 Cb 0.48 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1hf3 n VAL 268 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1hf3 n ILE 269 N -0.56 0.69 0.00 2.52 5.41 -1.25 -4.49 119.36 121.68 1hf3 n ILE 269 Ca 0.34 0.23 0.00 0.00 1.00 0.00 0.00 62.75 64.31 1hf3 n ILE 269 Cb 0.84 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1hf3 n ILE 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hf3 n GLY 270 N 2.79 1.67 3.50 7.39 0.00 -1.26 -4.44 105.19 114.84 1hf3 n GLY 270 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1hf3 n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hf3 s ARG 271 N -0.12 2.62 0.11 1.61 0.52 -1.26 -4.28 118.95 118.14 1hf3 s ARG 271 Ca 0.00 -0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 54.40 1hf3 s ARG 271 Cb 0.00 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1hf3 s ARG 271 CO 0.00 0.62 1.54 -0.07 0.02 0.00 0.00 175.30 177.41 1hf3 h LEU 272 N 5.38 0.61 -0.30 2.53 3.38 -1.98 -1.23 115.31 123.70 1hf3 h LEU 272 Ca -0.46 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 1hf3 h LEU 272 Cb 1.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1hf3 h LEU 272 CO 0.51 0.78 0.15 -2.24 0.09 0.00 0.00 178.44 177.73 1hf3 h ASP 273 N 0.42 0.39 0.55 -0.43 2.03 -1.98 -2.79 116.42 114.61 1hf3 h ASP 273 Ca 0.10 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.22 1hf3 h ASP 273 Cb 0.48 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 1hf3 h ASP 273 CO 0.02 0.41 -0.27 0.71 -1.03 0.00 0.00 179.24 179.08 1hf3 h THR 274 N 0.35 0.85 -0.62 1.15 1.35 -1.95 -1.21 112.91 112.83 1hf3 h THR 274 Ca 0.10 -1.05 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1hf3 h THR 274 Cb 0.12 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 1hf3 h THR 274 CO -0.01 0.26 0.39 0.24 -0.25 0.00 0.00 175.52 176.15 1hf3 h MET 275 N 0.00 0.76 -0.10 4.72 2.86 -0.96 0.25 114.93 122.46 1hf3 h MET 275 Ca -0.00 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 1hf3 h MET 275 Cb 0.61 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1hf3 h MET 275 CO 0.03 0.50 -0.76 0.28 1.06 0.00 0.00 176.91 178.03 1hf3 h VAL 276 N 0.79 1.35 -0.69 -2.22 2.07 -1.26 -2.39 116.25 113.89 1hf3 h VAL 276 Ca 0.24 -2.10 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 1hf3 h VAL 276 Cb -0.03 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1hf3 h VAL 276 CO -0.08 0.64 0.26 0.74 0.02 0.00 0.00 177.57 179.15 1hf3 h THR 277 N 0.36 1.25 -0.78 2.57 2.02 -1.00 -0.18 112.91 117.15 1hf3 h THR 277 Ca -0.04 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1hf3 h THR 277 Cb 1.36 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1hf3 h THR 277 CO 0.14 0.32 0.43 0.00 0.37 0.00 0.00 175.52 176.78 1hf3 h ALA 278 N 1.12 1.00 -0.48 6.16 0.00 -0.43 -1.10 119.26 125.52 1hf3 h ALA 278 Ca 0.23 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1hf3 h ALA 278 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1hf3 h ALA 278 CO -0.02 0.50 0.01 1.25 0.00 0.00 0.00 179.25 181.00 1hf3 h LEU 279 N 1.08 0.82 -1.38 0.00 5.85 -1.03 -2.85 115.31 117.80 1hf3 h LEU 279 Ca 0.28 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1hf3 h LEU 279 Cb 0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1hf3 h LEU 279 CO -0.05 0.92 -0.12 0.28 -0.34 0.00 0.00 178.44 179.13 1hf3 h SER 280 N 0.70 0.25 0.26 1.25 0.02 -0.49 -2.66 113.55 112.88 1hf3 h SER 280 Ca 0.14 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1hf3 h SER 280 Cb 0.49 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1hf3 h SER 280 CO 0.02 0.40 -0.03 0.00 -1.14 0.00 0.00 176.83 176.09 1hf3 n GLN 283 N 0.09 2.29 0.26 0.00 0.00 0.76 -4.69 117.38 116.09 1hf3 n GLN 283 Ca 0.04 0.83 0.11 0.00 -0.00 0.00 0.00 57.00 57.98 1hf3 n GLN 283 Cb 0.51 -2.62 0.73 0.00 0.00 0.00 0.00 30.24 28.87 1hf3 n GLN 283 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1hf3 h GLU 284 N 6.30 0.00 0.03 3.69 4.11 -1.91 0.58 114.58 127.38 1hf3 h GLU 284 Ca -0.45 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.68 1hf3 h GLU 284 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1hf3 h GLU 284 CO 0.91 0.08 -1.73 0.00 0.07 0.00 0.00 179.01 178.34 1hf3 h ALA 285 N 1.92 0.67 0.00 1.06 0.00 -1.84 -2.69 119.26 118.38 1hf3 h ALA 285 Ca -0.00 -1.42 0.00 0.00 0.00 0.00 0.00 54.91 53.49 1hf3 h ALA 285 Cb 0.18 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1hf3 h ALA 285 CO 0.01 1.50 0.00 2.48 0.00 0.00 0.00 179.25 183.24 1hf3 n TYR 286 N -3.16 0.00 -1.32 0.00 0.18 -1.17 -4.40 117.16 107.28 1hf3 n TYR 286 Ca -0.19 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.25 1hf3 n TYR 286 Cb 1.05 0.02 0.10 0.00 -0.38 0.00 0.00 39.34 40.13 1hf3 n TYR 286 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1hf3 s GLY 287 N 0.00 2.18 -0.06 -7.48 0.00 0.20 -4.86 107.32 97.30 1hf3 s GLY 287 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.51 1hf3 s GLY 287 CO 0.00 1.17 -0.11 0.14 0.00 0.00 0.00 173.10 174.30 1hf3 s VAL 288 N -2.18 0.99 -0.07 1.40 1.01 -0.65 -1.52 120.40 119.39 1hf3 s VAL 288 Ca 0.72 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1hf3 s VAL 288 Cb -0.27 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1hf3 s VAL 288 CO 0.48 0.32 -0.23 -0.55 0.00 0.00 0.00 175.10 175.12 1hf3 s SER 289 N 0.64 2.86 -0.14 3.32 0.15 -0.08 -0.50 113.70 119.95 1hf3 s SER 289 Ca -0.13 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.06 1hf3 s SER 289 Cb -0.15 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1hf3 s SER 289 CO 0.03 0.20 -0.20 -0.69 1.20 0.00 0.00 173.24 173.78 1hf3 s VAL 290 N 0.03 2.31 -0.13 4.45 1.01 0.25 -1.31 120.40 127.00 1hf3 s VAL 290 Ca -0.08 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1hf3 s VAL 290 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1hf3 s VAL 290 CO 0.05 0.54 0.74 -0.63 0.00 0.00 0.00 175.10 175.80 1hf3 s ILE 291 N 0.68 4.97 -0.01 2.22 1.01 0.16 -0.77 121.20 129.47 1hf3 s ILE 291 Ca -0.09 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.04 1hf3 s ILE 291 Cb -0.16 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1hf3 s ILE 291 CO 0.01 0.13 0.00 0.52 0.00 0.00 0.00 174.94 175.61 1hf3 n VAL 292 N 4.35 0.06 -1.91 2.92 0.31 0.74 -2.99 118.33 121.81 1hf3 n VAL 292 Ca 0.01 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.95 1hf3 n VAL 292 Cb 0.50 -0.96 0.04 0.00 -0.91 0.00 0.00 33.84 32.51 1hf3 n VAL 292 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1hf3 s GLY 293 N -3.11 2.55 -0.24 2.92 0.00 -0.52 -4.93 107.32 104.00 1hf3 s GLY 293 Ca -0.00 0.87 -0.12 0.00 0.00 0.00 0.00 44.72 45.47 1hf3 s GLY 293 CO 0.04 1.25 0.21 0.14 0.00 0.00 0.00 173.10 174.74 1hf3 s VAL 294 N -1.83 5.32 0.64 1.40 1.01 -1.26 -4.58 120.40 121.11 1hf3 s VAL 294 Ca 0.74 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 1hf3 s VAL 294 Cb -0.27 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1hf3 s VAL 294 CO 0.35 0.32 1.02 -2.16 0.00 0.00 0.00 175.10 174.63 1hf3 s PRO 295 N 1.18 3.12 0.27 2.72 0.04 -1.26 -4.38 135.00 136.68 1hf3 s PRO 295 Ca 0.10 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 1hf3 s PRO 295 Cb -0.14 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1hf3 s PRO 295 CO 0.06 -0.79 1.40 -2.14 0.04 0.00 0.00 177.00 175.57 1hf3 s PRO 296 N -5.20 4.29 0.15 0.56 0.02 -1.26 -4.79 135.00 128.78 1hf3 s PRO 296 Ca 0.56 2.27 -0.33 0.00 0.02 0.00 0.00 61.00 63.51 1hf3 s PRO 296 Cb -0.11 -3.10 -0.16 0.00 0.02 0.00 0.00 34.50 31.14 1hf3 s PRO 296 CO 0.51 -0.35 1.11 -3.47 -0.33 0.00 0.00 177.00 174.47 1hf3 n ASP 297 N 1.95 1.03 -1.50 2.53 2.03 -0.05 -2.71 116.55 119.83 1hf3 n ASP 297 Ca 0.05 1.14 -0.19 0.00 0.52 0.00 0.00 54.79 56.31 1hf3 n ASP 297 Cb 0.41 -1.17 -0.08 0.00 -0.72 0.00 0.00 41.12 39.56 1hf3 n ASP 297 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1hf3 n SER 298 N 1.98 -5.41 -4.70 1.67 7.64 -1.26 -4.98 113.62 108.56 1hf3 n SER 298 Ca 0.16 0.48 -0.35 0.00 1.01 0.00 0.00 58.87 60.16 1hf3 n SER 298 Cb 0.23 -4.69 -0.09 0.00 -1.01 0.00 0.00 64.21 58.65 1hf3 n SER 298 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1hf3 s GLN 299 N -3.63 3.44 0.00 1.43 -1.52 -1.10 -5.09 119.66 113.18 1hf3 s GLN 299 Ca 0.00 -0.34 -0.03 0.00 -1.95 0.00 0.00 55.36 53.04 1hf3 s GLN 299 Cb 0.00 -3.02 -0.04 0.00 -0.22 0.00 0.00 33.01 29.73 1hf3 s GLN 299 CO 0.00 0.56 0.20 -0.80 -0.25 0.00 0.00 175.29 175.00 1hf3 s ASN 300 N -0.44 6.39 0.37 5.90 0.02 -1.26 -4.93 114.94 120.99 1hf3 s ASN 300 Ca 0.09 0.39 0.06 0.00 -1.02 0.00 0.00 52.86 52.38 1hf3 s ASN 300 Cb -0.12 -2.02 -0.00 0.00 0.02 0.00 0.00 41.25 39.13 1hf3 s ASN 300 CO 0.02 0.25 0.52 -1.48 0.02 0.00 0.00 177.10 176.43 1hf3 s LEU 301 N -1.95 3.84 -0.10 0.60 0.05 -1.26 -5.09 118.68 114.77 1hf3 s LEU 301 Ca 0.28 -0.20 0.03 0.00 0.05 0.00 0.00 54.13 54.29 1hf3 s LEU 301 Cb -0.13 -2.76 0.01 0.00 -2.05 0.00 0.00 46.19 41.26 1hf3 s LEU 301 CO 0.19 -0.57 -0.19 -0.55 -0.55 0.00 0.00 176.35 174.68 1hf3 s SER 302 N -4.23 2.61 0.09 1.48 0.15 -1.26 -5.12 113.70 107.42 1hf3 s SER 302 Ca 0.48 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 1hf3 s SER 302 Cb -0.10 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.00 1hf3 s SER 302 CO 0.32 0.09 0.10 0.00 1.20 0.00 0.00 173.24 174.96 1hf3 s MET 303 N 0.58 0.80 -0.26 5.44 0.23 -1.26 -4.99 119.30 119.85 1hf3 s MET 303 Ca -0.15 -1.14 -0.15 0.00 -1.03 0.00 0.00 55.69 53.23 1hf3 s MET 303 Cb -0.17 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.38 1hf3 s MET 303 CO 0.05 -0.23 0.36 1.21 -2.03 0.00 0.00 175.02 174.38 1hf3 s ASN 304 N -2.92 6.27 0.43 -1.18 3.84 -1.26 -4.94 114.94 115.17 1hf3 s ASN 304 Ca 0.09 0.31 0.29 0.00 0.21 0.00 0.00 52.86 53.76 1hf3 s ASN 304 Cb 0.06 -2.20 1.51 0.00 -0.55 0.00 0.00 41.25 40.07 1hf3 s ASN 304 CO -0.08 -0.14 1.89 1.55 -2.79 0.00 0.00 177.10 177.53 1hf3 h PRO 305 N 7.99 0.00 0.00 0.43 0.13 -2.02 -1.23 132.00 137.30 1hf3 h PRO 305 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1hf3 h PRO 305 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1hf3 h PRO 305 CO 0.65 0.00 -0.12 0.52 -0.23 0.00 0.00 178.00 178.83 1hf3 h MET 306 N 0.00 0.00 -0.89 0.86 2.86 -1.99 0.93 114.93 116.70 1hf3 h MET 306 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1hf3 h MET 306 Cb 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 1hf3 h MET 306 CO 0.00 0.12 0.58 -0.07 1.06 0.00 0.00 176.91 178.60 1hf3 h LEU 307 N 0.00 0.80 0.03 1.22 3.38 -1.64 -2.56 115.31 116.55 1hf3 h LEU 307 Ca -0.00 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 1hf3 h LEU 307 Cb 0.24 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1hf3 h LEU 307 CO 0.02 0.47 -1.53 -0.07 0.09 0.00 0.00 178.44 177.42 1hf3 h LEU 308 N 0.88 0.11 -1.91 1.67 3.38 -1.05 -3.36 115.31 115.03 1hf3 h LEU 308 Ca 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1hf3 h LEU 308 Cb 0.41 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1hf3 h LEU 308 CO -0.18 1.16 -0.00 -0.07 0.09 0.00 0.00 178.44 179.44 1hf3 h LEU 309 N 0.02 0.04 -1.90 1.67 3.38 -0.82 -0.35 115.31 117.35 1hf3 h LEU 309 Ca -0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1hf3 h LEU 309 Cb 1.96 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1hf3 h LEU 309 CO 0.11 0.06 0.00 0.77 0.09 0.00 0.00 178.44 179.47 1hf3 h SER 310 N 0.05 0.00 0.00 -0.43 4.64 -1.70 -3.45 113.55 112.66 1hf3 h SER 310 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hf3 h SER 310 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1hf3 h SER 310 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1hf3 n GLY 311 N -0.30 -0.92 3.79 -0.77 0.00 -0.16 -4.26 105.19 102.58 1hf3 n GLY 311 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1hf3 n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hf3 s ARG 312 N 0.00 2.59 -0.05 1.61 0.52 -1.12 -4.05 118.95 118.45 1hf3 s ARG 312 Ca 0.00 1.04 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 1hf3 s ARG 312 Cb 0.00 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1hf3 s ARG 312 CO 0.00 -1.37 -0.15 0.99 0.02 0.00 0.00 175.30 174.79 1hf3 s THR 313 N -2.98 1.28 -0.13 0.02 2.01 -0.58 -4.82 115.64 110.45 1hf3 s THR 313 Ca 0.60 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1hf3 s THR 313 Cb -0.15 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1hf3 s THR 313 CO 0.55 0.38 -0.17 0.86 -0.69 0.00 0.00 174.62 175.55 1hf3 s TRP 314 N 0.28 2.22 0.10 4.92 -0.00 -1.26 -0.91 118.94 124.29 1hf3 s TRP 314 Ca -0.08 -1.11 0.01 0.00 -0.00 0.00 0.00 56.10 54.92 1hf3 s TRP 314 Cb -0.13 -1.57 -0.04 0.00 -0.00 0.00 0.00 33.47 31.72 1hf3 s TRP 314 CO 0.03 -0.55 -0.04 0.15 -0.00 0.00 0.00 176.95 176.54 1hf3 s LYS 315 N 1.02 0.82 0.23 5.86 1.02 -0.43 -5.00 119.74 123.26 1hf3 s LYS 315 Ca -0.05 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.61 1hf3 s LYS 315 Cb -0.15 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1hf3 s LYS 315 CO -0.03 -0.08 0.16 0.20 -0.92 0.00 0.00 175.35 174.68 1hf3 s GLY 316 N -3.03 1.65 0.04 -3.33 0.00 -1.26 0.41 107.32 101.80 1hf3 s GLY 316 Ca 0.13 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 42.79 1hf3 s GLY 316 CO -0.04 -1.42 0.83 0.00 0.00 0.00 0.00 173.10 172.47 1hf3 s ALA 317 N -3.99 -1.77 -0.11 3.20 0.00 -1.16 -4.92 121.76 113.01 1hf3 s ALA 317 Ca 0.39 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 1hf3 s ALA 317 Cb 0.06 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1hf3 s ALA 317 CO 0.16 -0.72 0.04 0.42 0.00 0.00 0.00 175.76 175.65 1hf3 s ILE 318 N -3.26 4.61 -1.49 0.00 -1.09 -1.26 -4.64 121.20 114.08 1hf3 s ILE 318 Ca 0.05 -0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 58.23 1hf3 s ILE 318 Cb -0.01 -2.98 0.07 0.00 -1.58 0.00 0.00 42.46 37.96 1hf3 s ILE 318 CO -0.09 0.58 0.96 0.33 -1.23 0.00 0.00 174.94 175.49 1hf3 n PHE 319 N 2.37 -2.30 -1.44 3.97 7.35 -1.26 -2.09 117.46 124.06 1hf3 n PHE 319 Ca -0.19 0.91 -0.15 0.00 -0.76 0.00 0.00 57.45 57.26 1hf3 n PHE 319 Cb 0.54 -4.13 -0.07 0.00 0.35 0.00 0.00 39.48 36.17 1hf3 n PHE 319 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hf3 n GLY 320 N -1.70 1.46 2.38 7.13 0.00 -1.24 -1.91 105.19 111.31 1hf3 n GLY 320 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1hf3 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf3 n GLY 321 N -0.12 0.35 3.72 -0.02 0.00 -0.89 -3.75 105.19 104.48 1hf3 n GLY 321 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1hf3 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hf3 s PHE 322 N -1.74 3.64 -0.28 1.61 0.08 -0.81 -4.61 117.98 115.87 1hf3 s PHE 322 Ca 0.00 1.62 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 1hf3 s PHE 322 Cb 0.00 -3.20 -0.01 0.00 -0.57 0.00 0.00 43.02 39.23 1hf3 s PHE 322 CO 0.00 -0.37 1.53 0.15 -0.10 0.00 0.00 175.22 176.43 1hf3 s LYS 323 N 0.42 3.74 0.07 0.44 1.02 -1.26 -4.82 119.74 119.35 1hf3 s LYS 323 Ca 0.51 1.42 -0.28 0.00 0.02 0.00 0.00 55.97 57.64 1hf3 s LYS 323 Cb -0.25 -4.01 -0.17 0.00 -0.52 0.00 0.00 37.83 32.87 1hf3 s LYS 323 CO 0.30 -1.35 1.63 0.66 -0.92 0.00 0.00 175.35 175.67 1hf3 h SER 324 N 10.60 -0.42 0.22 2.83 4.64 -1.84 0.02 113.55 129.61 1hf3 h SER 324 Ca -0.31 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 1hf3 h SER 324 Cb 1.13 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1hf3 h SER 324 CO 1.03 -0.28 -0.44 0.50 -0.87 0.00 0.00 176.83 176.77 1hf3 h LYS 325 N -0.54 0.28 -0.06 4.77 3.64 -1.89 -0.86 116.57 121.92 1hf3 h LYS 325 Ca -0.05 -0.14 -0.20 0.00 -1.27 0.00 0.00 60.65 58.98 1hf3 h LYS 325 Cb 0.41 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1hf3 h LYS 325 CO 0.08 0.67 -0.81 -0.44 -2.27 0.00 0.00 179.45 176.68 1hf3 h ASP 326 N 0.23 0.55 0.31 4.20 3.32 -1.95 -3.38 116.42 119.69 1hf3 h ASP 326 Ca 0.02 -0.39 -0.33 0.00 0.02 0.00 0.00 57.03 56.35 1hf3 h ASP 326 Cb 0.87 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1hf3 h ASP 326 CO 0.07 1.15 -1.68 0.28 -1.72 0.00 0.00 179.24 177.34 1hf3 h SER 327 N 0.29 0.48 -0.38 6.45 0.02 -0.77 -3.37 113.55 116.27 1hf3 h SER 327 Ca -0.05 -0.73 0.06 0.00 -0.84 0.00 0.00 61.79 60.23 1hf3 h SER 327 Cb 1.41 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.75 1hf3 h SER 327 CO 0.14 1.62 0.06 0.58 -1.14 0.00 0.00 176.83 178.09 1hf3 h VAL 328 N 0.08 0.79 -0.68 2.27 2.07 -1.33 -0.08 116.25 119.38 1hf3 h VAL 328 Ca -0.31 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1hf3 h VAL 328 Cb 2.06 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1hf3 h VAL 328 CO 0.16 0.03 0.31 -0.65 0.02 0.00 0.00 177.57 177.44 1hf3 h PRO 329 N 0.18 0.98 -0.12 1.57 0.11 -1.78 -2.06 132.00 130.88 1hf3 h PRO 329 Ca 0.18 -0.14 -0.20 0.00 0.11 0.00 0.00 66.00 65.95 1hf3 h PRO 329 Cb 0.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1hf3 h PRO 329 CO -0.25 0.77 -0.72 0.87 -0.21 0.00 0.00 178.00 178.46 1hf3 h LYS 330 N 0.97 0.58 -0.52 1.05 1.57 -1.61 -1.18 116.57 117.43 1hf3 h LYS 330 Ca 0.23 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1hf3 h LYS 330 Cb 0.13 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1hf3 h LYS 330 CO -0.03 1.08 0.03 -0.07 -0.57 0.00 0.00 179.45 179.89 1hf3 h LEU 331 N 0.40 0.82 -0.71 2.94 3.38 -0.65 -0.52 115.31 120.97 1hf3 h LEU 331 Ca -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1hf3 h LEU 331 Cb 1.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1hf3 h LEU 331 CO 0.13 0.87 0.26 0.58 0.09 0.00 0.00 178.44 180.37 1hf3 h VAL 332 N 0.81 1.25 -0.58 1.22 2.07 -0.94 -1.35 116.25 118.73 1hf3 h VAL 332 Ca 0.16 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1hf3 h VAL 332 Cb 0.44 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1hf3 h VAL 332 CO 0.02 0.32 0.11 0.00 0.02 0.00 0.00 177.57 178.04 1hf3 h ALA 333 N 1.12 1.10 -0.54 1.67 0.00 -0.96 -1.39 119.26 120.26 1hf3 h ALA 333 Ca 0.23 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1hf3 h ALA 333 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1hf3 h ALA 333 CO -0.02 0.59 -0.04 -0.44 0.00 0.00 0.00 179.25 179.35 1hf3 h ASP 334 N 0.87 0.95 -0.54 0.00 3.32 -0.90 -0.39 116.42 119.73 1hf3 h ASP 334 Ca 0.18 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1hf3 h ASP 334 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1hf3 h ASP 334 CO 0.01 1.02 0.30 0.15 -1.72 0.00 0.00 179.24 179.00 1hf3 h PHE 335 N 0.88 0.75 -0.24 4.55 3.57 -0.88 -0.69 116.94 124.88 1hf3 h PHE 335 Ca 0.15 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1hf3 h PHE 335 Cb 0.57 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1hf3 h PHE 335 CO 0.04 0.55 -0.07 0.52 -2.23 0.00 0.00 178.31 177.11 1hf3 h MET 336 N 0.73 0.37 -0.45 1.11 2.86 -0.48 0.05 114.93 119.12 1hf3 h MET 336 Ca 0.19 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1hf3 h MET 336 Cb 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1hf3 h MET 336 CO -0.03 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.39 1hf3 n ALA 337 N -2.48 2.62 -2.23 6.32 0.00 -0.23 -4.91 120.51 119.60 1hf3 n ALA 337 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 1hf3 n ALA 337 Cb 0.26 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1hf3 n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hf3 n LYS 338 N 0.28 -1.78 0.27 0.00 4.76 0.00 -4.86 118.16 116.83 1hf3 n LYS 338 Ca 0.09 0.90 0.18 0.00 -2.87 0.00 0.00 58.31 56.61 1hf3 n LYS 338 Cb 0.34 -5.48 0.81 0.00 -1.84 0.00 0.00 35.03 28.86 1hf3 n LYS 338 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1hf3 h LYS 339 N 0.00 0.00 -3.13 1.97 6.56 -1.34 -3.45 116.57 117.18 1hf3 h LYS 339 Ca -0.41 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.16 1hf3 h LYS 339 Cb 1.28 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.83 1hf3 h LYS 339 CO 0.51 0.00 0.12 -0.59 -2.06 0.00 0.00 179.45 177.43 1hf3 s PHE 340 N -3.75 -0.37 -0.08 -1.35 -0.12 -1.26 -5.02 117.98 106.03 1hf3 s PHE 340 Ca -0.00 0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1hf3 s PHE 340 Cb 0.10 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1hf3 s PHE 340 CO 0.46 -0.86 -0.04 0.00 -0.05 0.00 0.00 175.22 174.73 1hf3 s ALA 341 N -3.79 3.11 -0.10 1.99 0.00 -1.26 -4.80 121.76 116.91 1hf3 s ALA 341 Ca 0.03 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.23 1hf3 s ALA 341 Cb -0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 23.12 21.64 1hf3 s ALA 341 CO -0.10 0.57 0.05 1.28 0.00 0.00 0.00 175.76 177.56 1hf3 n LEU 342 N 2.23 0.00 -0.27 0.00 4.77 -1.26 -4.73 117.00 117.74 1hf3 n LEU 342 Ca -0.18 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.88 1hf3 n LEU 342 Cb 0.53 0.24 0.22 0.00 -2.33 0.00 0.00 43.42 42.08 1hf3 n LEU 342 CO 0.28 0.24 0.92 0.44 -1.33 0.00 0.00 177.39 177.94 1hf3 h ASP 343 N 0.00 -0.05 0.04 -1.43 5.19 -1.94 0.22 116.42 118.44 1hf3 h ASP 343 Ca -0.27 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1hf3 h ASP 343 Cb 1.57 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 41.33 1hf3 h ASP 343 CO 0.01 -0.10 -0.01 -0.65 -3.12 0.00 0.00 179.24 175.37 1hf3 h PRO 344 N 0.22 0.00 0.00 3.56 0.11 -2.02 -2.26 132.00 131.61 1hf3 h PRO 344 Ca 0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.54 1hf3 h PRO 344 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1hf3 h PRO 344 CO -0.59 0.01 -0.18 -0.07 -0.21 0.00 0.00 178.00 176.97 1hf3 h LEU 345 N 0.00 0.00 -8.41 2.35 3.38 -1.27 -3.43 115.31 107.92 1hf3 h LEU 345 Ca -0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1hf3 h LEU 345 Cb 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.63 1hf3 h LEU 345 CO 0.00 0.18 0.31 -0.63 0.09 0.00 0.00 178.44 178.39 1hf3 s ILE 346 N -3.47 4.62 -0.14 1.22 1.01 -0.85 -0.70 121.20 122.89 1hf3 s ILE 346 Ca 0.02 -0.17 0.16 0.00 0.00 0.00 0.00 60.65 60.67 1hf3 s ILE 346 Cb 0.09 -4.44 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 1hf3 s ILE 346 CO 0.64 -1.00 0.31 0.35 0.00 0.00 0.00 174.94 175.23 1hf3 n THR 347 N 5.89 1.42 -4.03 2.92 -2.24 -0.49 -4.94 114.28 112.81 1hf3 n THR 347 Ca -0.03 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 60.79 1hf3 n THR 347 Cb 0.46 -0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 1hf3 n THR 347 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1hf3 s HIS 348 N -2.57 0.30 -0.16 4.78 3.76 -1.19 -5.01 115.29 115.20 1hf3 s HIS 348 Ca -0.08 -0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1hf3 s HIS 348 Cb 0.07 -0.19 0.05 0.00 1.11 0.00 0.00 32.58 33.61 1hf3 s HIS 348 CO 0.83 -0.03 -0.01 0.08 -0.85 0.00 0.00 174.74 174.76 1hf3 s VAL 349 N -0.34 0.80 0.09 -0.90 1.01 -1.26 -1.48 120.40 118.32 1hf3 s VAL 349 Ca -0.02 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1hf3 s VAL 349 Cb -0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1hf3 s VAL 349 CO -0.00 0.03 -0.15 -0.76 0.00 0.00 0.00 175.10 174.22 1hf3 s LEU 350 N 1.76 2.32 0.61 3.92 1.43 -0.02 -4.98 118.68 123.72 1hf3 s LEU 350 Ca 0.01 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.23 1hf3 s LEU 350 Cb -0.15 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1hf3 s LEU 350 CO -0.07 -0.08 1.25 -2.84 0.23 0.00 0.00 176.35 174.84 1hf3 s PRO 351 N -2.08 2.84 0.29 1.29 0.02 -1.26 -0.42 135.00 135.68 1hf3 s PRO 351 Ca 0.03 1.95 0.03 0.00 0.02 0.00 0.00 61.00 63.03 1hf3 s PRO 351 Cb -0.08 -1.93 0.71 0.00 0.02 0.00 0.00 34.50 33.22 1hf3 s PRO 351 CO 0.03 -1.34 1.68 0.35 -0.33 0.00 0.00 177.00 177.39 1hf3 h PHE 352 N 0.83 0.57 -0.09 6.54 3.57 -0.14 0.31 116.94 128.53 1hf3 h PHE 352 Ca -0.51 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.06 1hf3 h PHE 352 Cb 1.31 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1hf3 h PHE 352 CO 0.45 -0.09 0.17 0.93 -2.23 0.00 0.00 178.31 177.54 1hf3 h GLU 353 N 0.35 0.00 -1.05 1.11 3.07 -1.91 0.11 114.58 116.26 1hf3 h GLU 353 Ca 0.55 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.87 1hf3 h GLU 353 Cb 1.06 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.70 1hf3 h GLU 353 CO -0.55 0.00 0.70 1.63 -1.40 0.00 0.00 179.01 179.39 1hf3 n LYS 354 N -3.39 2.34 -0.20 2.33 5.02 0.10 -4.59 118.16 119.76 1hf3 n LYS 354 Ca -0.01 -2.85 -0.03 0.00 -2.02 0.00 0.00 58.31 53.41 1hf3 n LYS 354 Cb 0.26 -2.12 0.08 0.00 -0.02 0.00 0.00 35.03 33.23 1hf3 n LYS 354 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1hf3 h ILE 355 N 0.95 0.96 -0.94 -0.18 2.10 -0.94 -0.35 117.51 119.10 1hf3 h ILE 355 Ca 0.56 -0.20 0.01 0.00 1.08 0.00 0.00 64.86 66.31 1hf3 h ILE 355 Cb 1.71 0.31 -0.05 0.00 -1.09 0.00 0.00 36.82 37.70 1hf3 h ILE 355 CO 1.23 0.11 0.62 0.78 -1.08 0.00 0.00 178.15 179.82 1hf3 h ASN 356 N 0.60 1.07 -0.43 2.19 2.35 -1.86 -0.29 115.58 119.21 1hf3 h ASN 356 Ca 0.27 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1hf3 h ASN 356 Cb 0.17 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1hf3 h ASN 356 CO -0.17 0.77 0.17 -0.08 -1.65 0.00 0.00 177.43 176.47 1hf3 h GLU 357 N 1.26 0.70 -0.68 0.81 4.81 -1.45 0.37 114.58 120.41 1hf3 h GLU 357 Ca 0.35 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1hf3 h GLU 357 Cb -0.13 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1hf3 h GLU 357 CO -0.08 0.60 0.28 0.78 -0.73 0.00 0.00 179.01 179.85 1hf3 h GLY 358 N 0.86 1.10 1.10 1.92 0.00 -0.39 -0.28 103.07 107.37 1hf3 h GLY 358 Ca 0.16 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1hf3 h GLY 358 CO -0.01 0.56 -0.16 0.74 0.00 0.00 0.00 176.54 177.67 1hf3 h PHE 359 N 0.97 1.16 -0.79 5.60 -1.00 -0.41 -2.62 116.94 119.85 1hf3 h PHE 359 Ca 0.23 -0.26 0.01 0.00 2.81 0.00 0.00 57.97 60.76 1hf3 h PHE 359 Cb 0.20 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.45 1hf3 h PHE 359 CO 0.01 1.09 0.52 -0.44 -1.61 0.00 0.00 178.31 177.89 1hf3 h ASP 360 N 0.90 0.90 -0.44 2.17 3.32 -0.28 0.13 116.42 123.11 1hf3 h ASP 360 Ca 0.13 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1hf3 h ASP 360 Cb 0.74 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1hf3 h ASP 360 CO 0.06 0.65 0.17 -0.07 -1.72 0.00 0.00 179.24 178.33 1hf3 h LEU 361 N 1.06 0.20 0.25 1.55 3.38 -0.83 0.89 115.31 121.80 1hf3 h LEU 361 Ca 0.29 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1hf3 h LEU 361 Cb -0.11 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1hf3 h LEU 361 CO -0.07 0.15 -0.14 0.25 0.09 0.00 0.00 178.44 178.72 1hf3 h LEU 362 N 0.35 -0.34 -1.63 1.67 5.85 -1.10 -1.53 115.31 118.59 1hf3 h LEU 362 Ca 0.21 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1hf3 h LEU 362 Cb 0.18 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1hf3 h LEU 362 CO -0.20 -0.23 0.20 0.03 -0.34 0.00 0.00 178.44 177.91 1hf3 h ARG 363 N -0.36 0.45 -0.02 1.25 3.08 -0.39 -1.20 114.38 117.18 1hf3 h ARG 363 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1hf3 h ARG 363 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1hf3 h ARG 363 CO 0.04 0.31 -0.01 -1.13 -1.07 0.00 0.00 179.97 178.11 1hf3 n SER 364 N -4.47 1.79 0.00 7.04 3.41 0.27 -4.94 113.62 116.73 1hf3 n SER 364 Ca 0.02 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1hf3 n SER 364 Cb 0.08 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1hf3 n SER 364 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hf3 n GLY 365 N 1.22 0.81 0.12 5.00 0.00 -0.46 -4.92 105.19 106.96 1hf3 n GLY 365 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1hf3 n GLY 365 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hf3 h GLU 366 N 2.49 0.00 -6.20 1.61 4.81 -1.54 -3.47 114.58 112.29 1hf3 h GLU 366 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 1hf3 h GLU 366 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1hf3 h GLU 366 CO 0.00 0.51 -0.51 -1.54 -0.73 0.00 0.00 179.01 176.75 1hf3 s SER 367 N -6.33 5.45 0.00 1.04 1.04 -1.07 -5.02 113.70 108.81 1hf3 s SER 367 Ca 0.02 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1hf3 s SER 367 Cb 0.08 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1hf3 s SER 367 CO 0.77 -0.12 0.00 -0.38 0.98 0.00 0.00 173.24 174.49 1hf3 n ILE 368 N -1.23 0.00 -4.05 -1.02 2.08 -1.26 -4.77 119.36 109.11 1hf3 n ILE 368 Ca -0.06 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.90 1hf3 n ILE 368 Cb 0.58 -0.42 -0.12 0.00 -0.75 0.00 0.00 39.64 38.93 1hf3 n ILE 368 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1hf3 s ARG 369 N 0.09 3.70 -0.18 0.38 1.81 0.12 -4.60 118.95 120.27 1hf3 s ARG 369 Ca 0.00 -0.48 -0.12 0.00 -1.72 0.00 0.00 55.73 53.41 1hf3 s ARG 369 Cb 0.00 -3.13 -0.05 0.00 -0.45 0.00 0.00 34.95 31.32 1hf3 s ARG 369 CO 0.00 0.06 0.22 0.99 -0.68 0.00 0.00 175.30 175.89 1hf3 s THR 370 N 0.90 5.35 -0.23 0.02 2.01 -1.26 -1.40 115.64 121.03 1hf3 s THR 370 Ca 0.02 0.39 -0.09 0.00 0.31 0.00 0.00 61.69 62.32 1hf3 s THR 370 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1hf3 s THR 370 CO 0.02 0.40 0.11 -0.63 -0.69 0.00 0.00 174.62 173.84 1hf3 s ILE 371 N 0.47 4.97 -0.04 1.82 -1.09 -0.55 -1.05 121.20 125.72 1hf3 s ILE 371 Ca 0.13 0.04 -0.16 0.00 -2.23 0.00 0.00 60.65 58.43 1hf3 s ILE 371 Cb -0.12 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1hf3 s ILE 371 CO 0.02 0.37 0.43 -0.76 -1.23 0.00 0.00 174.94 173.77 1hf3 s LEU 372 N 0.99 4.40 0.05 2.97 1.43 0.89 -0.84 118.68 128.57 1hf3 s LEU 372 Ca 0.06 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 1hf3 s LEU 372 Cb -0.14 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1hf3 s LEU 372 CO 0.03 0.21 -0.11 0.42 0.23 0.00 0.00 176.35 177.13 1hf3 s THR 373 N -0.45 3.30 -2.43 5.49 -4.23 0.44 -0.90 115.64 116.86 1hf3 s THR 373 Ca 0.24 -1.06 0.19 0.00 -1.18 0.00 0.00 61.69 59.88 1hf3 s THR 373 Cb -0.16 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.38 1hf3 s THR 373 CO 0.12 0.29 1.12 0.49 -0.54 0.00 0.00 174.62 176.09