#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf5 h GLN -7 N 0.00 0.78 -0.43 0.54 4.15 -2.06 -2.60 115.11 115.49 3hf5 h GLN -7 Ca 0.00 -0.50 0.08 0.00 0.77 0.00 0.00 58.65 59.00 3hf5 h GLN -7 Cb 0.00 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 3hf5 h GLN -7 CO 0.00 1.12 0.00 0.35 -1.93 0.00 0.00 178.83 178.38 3hf5 h PHE -6 N 0.60 -0.03 -0.73 3.99 3.57 -2.05 -2.17 116.94 120.11 3hf5 h PHE -6 Ca 0.01 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3hf5 h PHE -6 Cb 1.14 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 3hf5 h PHE -6 CO 0.06 -0.09 0.48 0.93 -2.23 0.00 0.00 178.31 177.47 3hf5 h GLU -5 N 0.11 0.70 -0.37 1.11 5.08 -1.96 0.71 114.58 119.96 3hf5 h GLU -5 Ca 0.22 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3hf5 h GLU -5 Cb 0.31 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3hf5 h GLU -5 CO -0.36 0.46 0.13 -0.22 -1.00 0.00 0.00 179.01 178.02 3hf5 h LYS -4 N 0.72 0.56 -0.20 2.33 3.64 -1.12 -0.23 116.57 122.26 3hf5 h LYS -4 Ca 0.32 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.42 3hf5 h LYS -4 Cb 0.33 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3hf5 h LYS -4 CO -0.11 0.56 -0.58 0.82 -2.27 0.00 0.00 179.45 177.87 3hf5 h ILE -3 N 0.44 1.31 -0.94 2.00 1.08 -0.72 -2.86 117.51 117.82 3hf5 h ILE -3 Ca 0.12 -1.82 0.03 0.00 -0.39 0.00 0.00 64.86 62.80 3hf5 h ILE -3 Cb 0.22 1.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3hf5 h ILE -3 CO -0.01 0.57 0.61 -0.08 -0.69 0.00 0.00 178.15 178.56 3hf5 h GLU -2 N 0.49 1.17 -0.08 2.37 4.81 -0.78 -1.95 114.58 120.61 3hf5 h GLU -2 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3hf5 h GLU -2 Cb 1.15 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3hf5 h GLU -2 CO 0.11 0.78 0.02 0.78 -0.73 0.00 0.00 179.01 179.97 3hf5 h GLY -1 N 1.21 0.12 -0.53 1.92 0.00 -0.82 -2.05 103.07 102.91 3hf5 h GLY -1 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hf5 h GLY -1 CO -0.11 0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.02 3hf5 n ARG 0 N -4.49 1.54 -1.06 4.80 1.74 -0.75 -4.87 116.66 113.57 3hf5 n ARG 0 Ca -0.02 -0.81 -0.29 0.00 -0.77 0.00 0.00 57.85 55.96 3hf5 n ARG 0 Cb 0.11 -1.33 0.22 0.00 -1.02 0.00 0.00 32.46 30.44 3hf5 n ARG 0 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hf5 s MET 1 N -1.81 -0.59 -0.16 5.56 -1.94 -0.77 -4.95 119.30 114.64 3hf5 s MET 1 Ca 0.28 0.24 -0.29 0.00 -1.71 0.00 0.00 55.69 54.21 3hf5 s MET 1 Cb 0.15 -1.64 -0.03 0.00 2.01 0.00 0.00 34.83 35.31 3hf5 s MET 1 CO 0.22 -3.35 1.55 0.42 -0.01 0.00 0.00 175.02 173.85 3hf5 s ILE 2 N -2.93 3.79 -0.07 2.53 1.01 -0.53 -4.88 121.20 120.11 3hf5 s ILE 2 Ca 0.68 0.92 0.02 0.00 0.00 0.00 0.00 60.65 62.27 3hf5 s ILE 2 Cb -0.15 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3hf5 s ILE 2 CO 0.57 -0.20 -0.12 -0.13 0.00 0.00 0.00 174.94 175.07 3hf5 s ARG 3 N 4.23 1.72 -0.17 2.79 0.52 -1.26 -0.30 118.95 126.48 3hf5 s ARG 3 Ca 0.68 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3hf5 s ARG 3 Cb -0.27 -1.46 0.01 0.00 0.52 0.00 0.00 34.95 33.76 3hf5 s ARG 3 CO 0.26 -0.01 -0.17 0.42 0.02 0.00 0.00 175.30 175.82 3hf5 s ILE 4 N 0.78 2.35 0.11 1.52 1.01 -0.41 -1.56 121.20 125.01 3hf5 s ILE 4 Ca -0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 3hf5 s ILE 4 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3hf5 s ILE 4 CO 0.02 0.52 0.29 -0.22 0.00 0.00 0.00 174.94 175.55 3hf5 s LEU 5 N 1.13 4.32 -0.03 2.97 0.20 -0.12 -0.96 118.68 126.19 3hf5 s LEU 5 Ca 0.01 0.34 0.02 0.00 0.69 0.00 0.00 54.13 55.19 3hf5 s LEU 5 Cb -0.14 -3.06 0.01 0.00 -0.43 0.00 0.00 46.19 42.56 3hf5 s LEU 5 CO -0.07 0.09 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.69 3hf5 s TYR 6 N -1.64 0.91 -0.19 5.38 2.02 0.10 -0.43 117.35 123.50 3hf5 s TYR 6 Ca 0.37 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.70 3hf5 s TYR 6 Cb -0.12 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 3hf5 s TYR 6 CO 0.27 -0.11 0.30 -0.51 -1.57 0.00 0.00 175.55 173.93 3hf5 s LEU 7 N 0.28 4.19 -0.08 -1.29 1.43 -0.18 -0.85 118.68 122.17 3hf5 s LEU 7 Ca -0.04 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 3hf5 s LEU 7 Cb -0.09 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 3hf5 s LEU 7 CO 0.01 0.03 -0.14 -0.76 0.23 0.00 0.00 176.35 175.72 3hf5 s LEU 8 N 0.87 2.73 -0.09 1.79 1.43 0.11 -1.36 118.68 124.16 3hf5 s LEU 8 Ca 0.15 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3hf5 s LEU 8 Cb -0.14 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3hf5 s LEU 8 CO 0.05 0.28 -0.23 -0.69 0.23 0.00 0.00 176.35 175.99 3hf5 s VAL 9 N -0.33 2.15 0.72 -1.59 1.01 -0.26 -0.84 120.40 121.27 3hf5 s VAL 9 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3hf5 s VAL 9 Cb -0.13 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.47 3hf5 s VAL 9 CO 0.02 0.56 1.14 -1.59 0.00 0.00 0.00 175.10 175.24 3hf5 s LYS 10 N 0.22 2.36 0.31 2.72 -2.85 -1.26 -0.10 119.74 121.14 3hf5 s LYS 10 Ca -0.15 1.49 -0.29 0.00 -1.00 0.00 0.00 55.97 56.02 3hf5 s LYS 10 Cb -0.17 -1.89 -0.12 0.00 -2.06 0.00 0.00 37.83 33.59 3hf5 s LYS 10 CO 0.08 -1.61 1.40 -2.30 0.10 0.00 0.00 175.35 173.02 3hf5 n PRO 11 N -2.82 2.29 -0.37 1.78 -0.02 -1.26 -4.26 135.00 130.34 3hf5 n PRO 11 Ca 0.11 0.81 0.28 0.00 -2.02 0.00 0.00 63.50 62.68 3hf5 n PRO 11 Cb 0.52 -2.46 0.55 0.00 -0.02 0.00 0.00 33.50 32.08 3hf5 n PRO 11 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hf5 h GLU 12 N 3.40 0.25 -0.00 -0.52 4.22 -1.95 -1.49 114.58 118.50 3hf5 h GLU 12 Ca -0.47 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.96 3hf5 h GLU 12 Cb 1.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hf5 h GLU 12 CO 0.69 0.17 -0.39 -1.13 -2.18 0.00 0.00 179.01 176.17 3hf5 n SER 13 N -4.80 0.60 -4.87 1.04 3.41 -1.26 -4.92 113.62 102.83 3hf5 n SER 13 Ca 0.32 -0.39 -0.35 0.00 -0.26 0.00 0.00 58.87 58.19 3hf5 n SER 13 Cb 1.11 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 65.16 3hf5 n SER 13 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hf5 s MET 14 N -2.85 3.69 0.59 4.33 -2.45 -0.56 -5.09 119.30 116.96 3hf5 s MET 14 Ca 0.16 0.08 -0.15 0.00 -1.25 0.00 0.00 55.69 54.53 3hf5 s MET 14 Cb 0.18 -3.06 -0.04 0.00 1.25 0.00 0.00 34.83 33.16 3hf5 s MET 14 CO 0.63 0.62 1.04 -1.54 1.05 0.00 0.00 175.02 176.82 3hf5 s SER 15 N -1.64 5.99 0.26 1.11 1.04 -1.26 -4.80 113.70 114.39 3hf5 s SER 15 Ca 0.29 1.68 -0.03 0.00 0.48 0.00 0.00 55.95 58.38 3hf5 s SER 15 Cb -0.14 -2.52 0.43 0.00 0.10 0.00 0.00 66.02 63.90 3hf5 s SER 15 CO 0.16 -1.02 1.84 -0.74 0.98 0.00 0.00 173.24 174.46 3hf5 h HIS 16 N 0.33 1.04 -0.47 5.02 2.76 -1.98 -1.12 115.15 120.72 3hf5 h HIS 16 Ca -0.46 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.75 3hf5 h HIS 16 Cb 1.21 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 3hf5 h HIS 16 CO 0.61 0.47 0.30 1.49 -1.30 0.00 0.00 177.93 179.50 3hf5 h GLU 17 N 0.97 0.60 -0.19 5.26 4.81 -2.01 -1.67 114.58 122.35 3hf5 h GLU 17 Ca 0.43 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.42 3hf5 h GLU 17 Cb 0.32 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3hf5 h GLU 17 CO -0.22 0.40 -0.67 0.37 -0.73 0.00 0.00 179.01 178.15 3hf5 h GLN 18 N 0.62 0.74 -0.57 1.92 5.75 -1.87 -3.03 115.11 118.67 3hf5 h GLN 18 Ca 0.18 -0.54 0.05 0.00 -0.15 0.00 0.00 58.65 58.19 3hf5 h GLN 18 Cb -0.05 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 3hf5 h GLN 18 CO -0.05 1.16 0.29 0.35 -2.65 0.00 0.00 178.83 177.93 3hf5 h PHE 19 N 0.53 0.53 -0.46 3.99 3.57 -0.82 -0.26 116.94 124.02 3hf5 h PHE 19 Ca -0.02 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.59 3hf5 h PHE 19 Cb 1.28 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 3hf5 h PHE 19 CO 0.07 0.25 0.01 -0.09 -2.23 0.00 0.00 178.31 176.32 3hf5 h ARG 20 N 0.55 0.12 -0.56 1.11 2.43 -1.22 0.08 114.38 116.88 3hf5 h ARG 20 Ca 0.26 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3hf5 h ARG 20 Cb 0.18 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3hf5 h ARG 20 CO -0.18 0.08 0.14 0.87 -1.51 0.00 0.00 179.97 179.37 3hf5 h LYS 21 N 0.12 0.87 0.00 0.20 1.57 -1.23 -2.49 116.57 115.61 3hf5 h LYS 21 Ca 0.23 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3hf5 h LYS 21 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hf5 h LYS 21 CO -0.37 0.78 -0.57 0.93 -0.57 0.00 0.00 179.45 179.64 3hf5 h GLU 22 N 0.84 0.00 -0.62 3.15 4.39 -0.42 -1.06 114.58 120.85 3hf5 h GLU 22 Ca 0.18 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.89 3hf5 h GLU 22 Cb 0.30 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3hf5 h GLU 22 CO -0.00 0.57 0.41 0.00 -1.16 0.00 0.00 179.01 178.83 3hf5 h VAL 24 N 0.83 1.25 -0.71 0.00 2.07 -1.11 -1.12 116.25 117.45 3hf5 h VAL 24 Ca 0.23 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3hf5 h VAL 24 Cb -0.08 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3hf5 h VAL 24 CO -0.06 0.33 0.46 0.58 0.02 0.00 0.00 177.57 178.90 3hf5 h VAL 25 N 0.82 1.12 -0.77 2.57 2.07 -1.00 -1.03 116.25 120.04 3hf5 h VAL 25 Ca 0.18 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3hf5 h VAL 25 Cb 0.35 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3hf5 h VAL 25 CO 0.00 0.16 0.35 -0.74 0.02 0.00 0.00 177.57 177.37 3hf5 h HIS 26 N 0.90 1.11 -0.30 1.57 2.76 -0.40 0.46 115.15 121.25 3hf5 h HIS 26 Ca 0.28 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3hf5 h HIS 26 Cb -0.02 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 3hf5 h HIS 26 CO -0.04 0.82 0.17 0.35 -1.30 0.00 0.00 177.93 177.93 3hf5 h PHE 27 N 1.10 0.41 -0.99 5.26 3.57 -0.73 -2.43 116.94 123.14 3hf5 h PHE 27 Ca 0.26 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.81 3hf5 h PHE 27 Cb 0.13 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3hf5 h PHE 27 CO 0.01 0.32 0.64 1.96 -2.23 0.00 0.00 178.31 179.02 3hf5 h GLN 28 N 0.37 1.15 0.00 1.11 4.20 -0.59 -1.19 115.11 120.16 3hf5 h GLN 28 Ca 0.11 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hf5 h GLN 28 Cb 0.05 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3hf5 h GLN 28 CO -0.02 0.76 0.00 0.52 -0.67 0.00 0.00 178.83 179.42 3hf5 h MET 29 N 1.18 0.00 0.00 1.46 2.86 -0.68 -2.80 114.93 116.96 3hf5 h MET 29 Ca 0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3hf5 h MET 29 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3hf5 h MET 29 CO -0.15 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.48 3hf5 h SER 30 N 0.00 0.00 -2.45 1.22 4.64 -0.72 -3.45 113.55 112.78 3hf5 h SER 30 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hf5 h SER 30 Cb 0.32 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.45 3hf5 h SER 30 CO 0.00 0.00 1.07 0.00 -0.87 0.00 0.00 176.83 177.03 3hf5 n ALA 31 N -2.03 2.09 -1.06 5.18 0.00 -1.06 -1.79 120.51 121.84 3hf5 n ALA 31 Ca 0.04 0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 3hf5 n ALA 31 Cb 0.47 -2.55 -0.01 0.00 0.00 0.00 0.00 19.45 17.35 3hf5 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf5 n GLY 32 N 4.13 0.54 3.58 0.00 0.00 -1.26 -4.98 105.19 107.21 3hf5 n GLY 32 Ca 0.18 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3hf5 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hf5 s MET 33 N -1.29 2.93 0.33 1.61 0.00 -0.74 -4.91 119.30 117.24 3hf5 s MET 33 Ca 0.00 1.56 -0.27 0.00 0.00 0.00 0.00 55.69 56.98 3hf5 s MET 33 Cb 0.00 -4.36 -0.13 0.00 0.00 0.00 0.00 34.83 30.34 3hf5 s MET 33 CO 0.00 -2.33 1.01 -2.30 0.00 0.00 0.00 175.02 171.40 3hf5 n PRO 34 N 8.76 1.38 0.00 4.11 -0.02 -1.26 -1.60 135.00 146.37 3hf5 n PRO 34 Ca 0.28 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3hf5 n PRO 34 Cb 0.48 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3hf5 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hf5 n GLY 35 N 1.20 3.15 3.68 -1.23 0.00 -1.26 -3.13 105.19 107.59 3hf5 n GLY 35 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3hf5 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hf5 s LEU 36 N 0.00 4.20 -0.01 0.99 2.96 -0.62 -4.35 118.68 121.85 3hf5 s LEU 36 Ca 0.00 0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 54.77 3hf5 s LEU 36 Cb 0.00 -3.00 -0.33 0.00 0.50 0.00 0.00 46.19 43.35 3hf5 s LEU 36 CO 0.00 -0.25 0.84 -0.74 -1.32 0.00 0.00 176.35 174.88 3hf5 h HIS 37 N 7.24 0.85 -2.24 5.38 -0.00 -1.10 -3.45 115.15 121.83 3hf5 h HIS 37 Ca -0.34 -0.62 -0.07 0.00 -0.00 0.00 0.00 60.37 59.34 3hf5 h HIS 37 Cb 1.15 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.33 3hf5 h HIS 37 CO 0.69 1.62 0.06 0.21 -0.00 0.00 0.00 177.93 180.51 3hf5 s LYS 38 N -2.59 0.87 0.01 5.26 2.20 -1.12 -4.97 119.74 119.39 3hf5 s LYS 38 Ca -0.12 0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.98 3hf5 s LYS 38 Cb 0.05 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.77 3hf5 s LYS 38 CO 0.90 -0.21 -0.16 -0.47 -0.36 0.00 0.00 175.35 175.05 3hf5 s TYR 39 N -0.61 1.43 -0.00 4.03 5.04 -1.26 -1.03 117.35 124.95 3hf5 s TYR 39 Ca -0.07 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 3hf5 s TYR 39 Cb -0.02 -0.89 -0.00 0.00 0.35 0.00 0.00 41.96 41.39 3hf5 s TYR 39 CO 0.06 0.01 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.25 3hf5 s GLU 40 N -0.66 0.18 -0.02 4.97 2.12 -0.31 -4.98 118.70 119.99 3hf5 s GLU 40 Ca 0.05 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.33 3hf5 s GLU 40 Cb -0.07 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.14 3hf5 s GLU 40 CO 0.00 0.04 -0.08 0.54 -0.54 0.00 0.00 175.26 175.22 3hf5 s VAL 41 N -0.01 0.67 0.02 3.70 0.11 -1.26 -0.21 120.40 123.43 3hf5 s VAL 41 Ca 0.00 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3hf5 s VAL 41 Cb -0.01 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3hf5 s VAL 41 CO -0.00 0.21 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.79 3hf5 s ARG 42 N 0.19 0.43 0.33 1.54 0.52 -0.27 -4.99 118.95 116.70 3hf5 s ARG 42 Ca -0.03 -0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 3hf5 s ARG 42 Cb -0.08 -0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.06 3hf5 s ARG 42 CO 0.00 0.04 0.88 -1.17 0.02 0.00 0.00 175.30 175.07 3hf5 s LEU 43 N -1.10 4.19 -0.41 2.53 2.96 -1.26 -0.56 118.68 125.04 3hf5 s LEU 43 Ca -0.07 1.64 -0.28 0.00 -0.22 0.00 0.00 54.13 55.20 3hf5 s LEU 43 Cb -0.07 -4.08 0.02 0.00 0.50 0.00 0.00 46.19 42.56 3hf5 s LEU 43 CO -0.00 -0.15 1.05 -0.69 -1.32 0.00 0.00 176.35 175.24 3hf5 s VAL 44 N -1.80 4.41 -0.10 1.68 1.01 -0.52 -4.85 120.40 120.23 3hf5 s VAL 44 Ca 0.53 1.31 0.20 0.00 0.00 0.00 0.00 61.98 64.02 3hf5 s VAL 44 Cb -0.14 -4.47 -0.27 0.00 0.00 0.00 0.00 36.38 31.50 3hf5 s VAL 44 CO 0.19 -0.73 0.43 0.00 0.00 0.00 0.00 175.10 174.99 3hf5 n ALA 45 N 7.24 2.30 -3.17 5.51 0.00 -1.26 -4.91 120.51 126.22 3hf5 n ALA 45 Ca 0.10 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 3hf5 n ALA 45 Cb 0.48 -0.62 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 3hf5 n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf5 s GLY 46 N -4.83 -0.06 -0.47 0.00 0.00 -1.26 -5.09 107.32 95.61 3hf5 s GLY 46 Ca -0.08 0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.84 3hf5 s GLY 46 CO 0.87 -0.04 0.56 0.70 0.00 0.00 0.00 173.10 175.18 3hf5 n ASN 47 N 1.44 1.15 -4.76 1.64 3.02 -1.26 -5.11 115.26 111.39 3hf5 n ASN 47 Ca -0.22 -2.87 -0.41 0.00 -0.03 0.00 0.00 54.58 51.05 3hf5 n ASN 47 Cb 0.56 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 3hf5 n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hf5 s PRO 48 N -1.38 4.32 0.00 3.52 0.04 -1.26 -4.91 135.00 135.32 3hf5 s PRO 48 Ca 0.36 2.25 0.11 0.00 0.04 0.00 0.00 61.00 63.75 3hf5 s PRO 48 Cb 0.14 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.65 3hf5 s PRO 48 CO -0.10 -0.28 0.79 0.25 0.04 0.00 0.00 177.00 177.70 3hf5 n THR 49 N 1.40 0.00 -1.43 1.26 -2.24 -1.26 -4.71 114.28 107.30 3hf5 n THR 49 Ca 0.03 -0.47 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 3hf5 n THR 49 Cb 0.41 1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 69.77 3hf5 n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf5 n ASP 50 N 0.38 6.70 -4.79 3.42 5.75 -1.26 -4.79 116.55 121.95 3hf5 n ASP 50 Ca 0.06 -2.93 -0.34 0.00 -0.01 0.00 0.00 54.79 51.57 3hf5 n ASP 50 Cb 0.26 -1.34 -0.03 0.00 -1.03 0.00 0.00 41.12 38.97 3hf5 n ASP 50 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hf5 s THR 51 N -0.67 3.71 -2.23 2.12 -4.23 -1.26 -4.96 115.64 108.12 3hf5 s THR 51 Ca 0.61 1.07 0.22 0.00 -1.18 0.00 0.00 61.69 62.41 3hf5 s THR 51 Cb 0.31 -3.43 0.51 0.00 1.34 0.00 0.00 72.50 71.22 3hf5 s THR 51 CO -0.12 -0.23 1.46 0.00 -0.54 0.00 0.00 174.62 175.19 3hf5 n HIS 52 N -1.00 0.66 -4.54 3.99 1.44 -1.26 -4.76 115.22 109.76 3hf5 n HIS 52 Ca 0.10 -0.33 -0.25 0.00 -2.01 0.00 0.00 57.72 55.22 3hf5 n HIS 52 Cb 0.52 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.53 3hf5 n HIS 52 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3hf5 s VAL 53 N -1.34 1.65 0.15 0.61 -7.23 -1.26 -5.10 120.40 107.89 3hf5 s VAL 53 Ca 0.41 -2.01 -0.34 0.00 -1.81 0.00 0.00 61.98 58.23 3hf5 s VAL 53 Cb 0.23 -2.89 -0.14 0.00 0.56 0.00 0.00 36.38 34.14 3hf5 s VAL 53 CO 0.31 -0.02 1.56 -2.65 -0.31 0.00 0.00 175.10 173.99 3hf5 n PRO 54 N -0.83 2.07 -2.05 4.82 -0.02 -1.26 -4.91 135.00 132.81 3hf5 n PRO 54 Ca -0.04 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 3hf5 n PRO 54 Cb 0.67 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3hf5 n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hf5 s TYR 55 N 0.90 3.05 -0.28 6.00 5.04 -1.26 -5.02 117.35 125.79 3hf5 s TYR 55 Ca 0.79 1.09 -0.09 0.00 -2.44 0.00 0.00 57.07 56.42 3hf5 s TYR 55 Cb -0.70 -3.78 -0.03 0.00 0.35 0.00 0.00 41.96 37.80 3hf5 s TYR 55 CO 0.39 -2.49 0.14 -1.17 -1.34 0.00 0.00 175.55 171.08 3hf5 s LEU 56 N -0.45 3.83 -0.30 6.97 2.96 -1.26 -5.07 118.68 125.36 3hf5 s LEU 56 Ca 0.58 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 54.10 3hf5 s LEU 56 Cb -0.41 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 3hf5 s LEU 56 CO 0.43 -0.09 0.42 -0.62 -1.32 0.00 0.00 176.35 175.18 3hf5 s ASP 57 N 1.67 6.27 -0.11 3.68 -1.08 -1.26 -4.90 116.67 120.94 3hf5 s ASP 57 Ca 0.06 0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.35 3hf5 s ASP 57 Cb -0.16 -2.23 0.37 0.00 -1.46 0.00 0.00 42.92 39.44 3hf5 s ASP 57 CO 0.07 -0.30 1.28 1.33 0.52 0.00 0.00 175.17 178.06 3hf5 n VAL 58 N 5.23 1.76 -4.15 1.11 0.24 -1.26 -5.11 118.33 116.15 3hf5 n VAL 58 Ca -0.07 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 3hf5 n VAL 58 Cb 0.50 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3hf5 n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hf5 n GLY 59 N -0.48 -1.18 3.59 7.63 0.00 -1.26 -4.79 105.19 108.71 3hf5 n GLY 59 Ca 0.16 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 3hf5 n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hf5 s ARG 60 N 0.00 3.92 -0.14 1.61 3.52 -1.26 -5.05 118.95 121.55 3hf5 s ARG 60 Ca 0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 3hf5 s ARG 60 Cb 0.00 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3hf5 s ARG 60 CO 0.00 -0.33 -0.03 0.42 -0.81 0.00 0.00 175.30 174.55 3hf5 s ILE 61 N 2.07 4.01 -0.11 4.11 -1.09 -1.26 -4.84 121.20 124.09 3hf5 s ILE 61 Ca 0.14 -0.32 0.14 0.00 -2.23 0.00 0.00 60.65 58.38 3hf5 s ILE 61 Cb -0.16 -2.75 -0.24 0.00 -1.58 0.00 0.00 42.46 37.74 3hf5 s ILE 61 CO 0.10 0.51 0.41 0.47 -1.23 0.00 0.00 174.94 175.21 3hf5 n ASP 62 N 3.28 0.58 -3.72 3.58 8.00 -0.02 -4.66 116.55 123.60 3hf5 n ASP 62 Ca -0.17 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 3hf5 n ASP 62 Cb 0.53 0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 41.91 3hf5 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hf5 s ALA 63 N -2.55 -0.82 -0.14 2.24 0.00 -0.86 -1.44 121.76 118.19 3hf5 s ALA 63 Ca -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3hf5 s ALA 63 Cb 0.07 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.99 3hf5 s ALA 63 CO 0.82 -0.71 -0.19 0.42 0.00 0.00 0.00 175.76 176.10 3hf5 s ILE 64 N -3.85 1.84 0.27 0.00 -1.09 0.28 -0.71 121.20 117.93 3hf5 s ILE 64 Ca 0.07 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 57.75 3hf5 s ILE 64 Cb 0.01 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 3hf5 s ILE 64 CO -0.07 0.51 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.29 3hf5 s GLY 65 N 1.02 1.70 -0.19 6.18 0.00 -0.03 -1.11 107.32 114.88 3hf5 s GLY 65 Ca -0.04 -1.70 -0.19 0.00 0.00 0.00 0.00 44.72 42.79 3hf5 s GLY 65 CO -0.05 -1.76 0.55 1.85 0.00 0.00 0.00 173.10 173.69 3hf5 s GLU 66 N -3.65 0.66 -0.04 2.90 2.12 0.70 0.02 118.70 121.42 3hf5 s GLU 66 Ca 0.31 0.72 0.06 0.00 0.36 0.00 0.00 54.97 56.42 3hf5 s GLU 66 Cb -0.06 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 3hf5 s GLU 66 CO 0.19 -0.09 -0.22 0.00 -0.54 0.00 0.00 175.26 174.60 3hf5 s TRP 68 N -0.26 2.86 -0.07 0.00 0.51 -0.20 -1.29 118.94 120.49 3hf5 s TRP 68 Ca 0.01 -0.33 0.03 0.00 -2.12 0.00 0.00 56.10 53.69 3hf5 s TRP 68 Cb -0.11 -1.79 0.01 0.00 -0.81 0.00 0.00 33.47 30.77 3hf5 s TRP 68 CO 0.01 0.03 -0.15 -0.06 -0.51 0.00 0.00 176.95 176.27 3hf5 s PHE 69 N -0.13 1.68 0.04 -1.98 0.08 0.59 -0.48 117.98 117.78 3hf5 s PHE 69 Ca 0.00 -0.62 0.28 0.00 0.12 0.00 0.00 56.93 56.71 3hf5 s PHE 69 Cb -0.13 -1.19 1.02 0.00 -0.57 0.00 0.00 43.02 42.14 3hf5 s PHE 69 CO 0.03 -0.28 1.86 0.00 -0.10 0.00 0.00 175.22 176.72 3hf5 h ALA 70 N 6.82 1.00 -2.70 5.36 0.00 -1.86 -1.41 119.26 126.47 3hf5 h ALA 70 Ca -0.29 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.63 3hf5 h ALA 70 Cb 1.20 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3hf5 h ALA 70 CO 0.47 0.14 0.34 -1.54 0.00 0.00 0.00 179.25 178.66 3hf5 s SER 71 N -5.99 -0.26 0.31 0.00 1.04 -1.26 -4.78 113.70 102.76 3hf5 s SER 71 Ca 0.02 -0.44 0.13 0.00 0.48 0.00 0.00 55.95 56.14 3hf5 s SER 71 Cb 0.09 0.61 0.46 0.00 0.10 0.00 0.00 66.02 67.27 3hf5 s SER 71 CO 0.60 -1.10 1.65 -0.08 0.98 0.00 0.00 173.24 175.29 3hf5 h GLU 72 N 2.00 0.00 -0.40 4.02 4.57 -2.00 -1.65 114.58 121.13 3hf5 h GLU 72 Ca -0.22 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.86 3hf5 h GLU 72 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3hf5 h GLU 72 CO 0.26 0.54 -0.16 0.93 -1.18 0.00 0.00 179.01 179.39 3hf5 h GLU 73 N 0.00 0.74 -0.32 1.92 3.07 -1.99 -1.52 114.58 116.48 3hf5 h GLU 73 Ca -0.01 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 58.46 3hf5 h GLU 73 Cb 1.03 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3hf5 h GLU 73 CO 0.07 0.86 -0.31 1.96 -1.40 0.00 0.00 179.01 180.19 3hf5 h GLN 74 N 0.66 0.69 -0.84 2.33 1.08 -1.77 -0.53 115.11 116.73 3hf5 h GLN 74 Ca 0.10 -0.31 0.07 0.00 -1.45 0.00 0.00 58.65 57.07 3hf5 h GLN 74 Cb 0.65 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.00 3hf5 h GLN 74 CO 0.05 0.91 0.50 -0.92 -0.95 0.00 0.00 178.83 178.42 3hf5 h TYR 75 N 0.59 0.92 -0.22 2.96 3.20 -0.93 -1.48 116.97 122.01 3hf5 h TYR 75 Ca 0.07 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 3hf5 h TYR 75 Cb 0.81 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3hf5 h TYR 75 CO 0.04 0.43 -0.40 1.96 -1.64 0.00 0.00 178.16 178.55 3hf5 h GLN 76 N 0.89 0.52 -0.11 1.82 1.08 -0.76 0.76 115.11 119.31 3hf5 h GLN 76 Ca 0.38 -0.26 0.03 0.00 -1.45 0.00 0.00 58.65 57.35 3hf5 h GLN 76 Cb 0.25 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 3hf5 h GLN 76 CO -0.20 0.83 -0.07 0.28 -0.95 0.00 0.00 178.83 178.72 3hf5 h VAL 77 N 0.43 0.78 -0.31 -0.54 2.07 -0.55 -1.28 116.25 116.85 3hf5 h VAL 77 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3hf5 h VAL 77 Cb 0.89 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3hf5 h VAL 77 CO 0.08 0.00 0.06 0.22 0.02 0.00 0.00 177.57 177.94 3hf5 h TYR 78 N -0.08 0.09 -0.50 1.57 3.20 -1.05 -2.15 116.97 118.05 3hf5 h TYR 78 Ca 0.07 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.05 3hf5 h TYR 78 Cb 0.18 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3hf5 h TYR 78 CO -0.19 0.02 0.34 0.52 -1.64 0.00 0.00 178.16 177.21 3hf5 h MET 79 N 0.17 0.28 -0.01 1.82 2.86 -0.29 -2.10 114.93 117.66 3hf5 h MET 79 Ca 0.14 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3hf5 h MET 79 Cb 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hf5 h MET 79 CO -0.19 0.19 -0.32 0.39 1.06 0.00 0.00 176.91 178.04 3hf5 n GLU 80 N -4.46 0.92 -2.51 1.72 1.02 -0.53 -4.94 120.64 111.86 3hf5 n GLU 80 Ca 0.08 -0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 56.18 3hf5 n GLU 80 Cb 0.36 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3hf5 n GLU 80 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hf5 s SER 81 N -2.50 7.10 0.61 1.62 1.04 -0.79 -4.89 113.70 115.90 3hf5 s SER 81 Ca 0.23 1.76 0.39 0.00 0.48 0.00 0.00 55.95 58.81 3hf5 s SER 81 Cb 0.19 -2.56 1.97 0.00 0.10 0.00 0.00 66.02 65.72 3hf5 s SER 81 CO 0.54 -0.54 2.21 -2.24 0.98 0.00 0.00 173.24 174.19 3hf5 h ASP 82 N 7.32 0.00 1.73 7.02 -0.00 -1.92 -1.93 116.42 128.64 3hf5 h ASP 82 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.69 3hf5 h ASP 82 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 3hf5 h ASP 82 CO 0.87 0.01 0.00 -0.29 -0.00 0.00 0.00 179.24 179.83 3hf5 h ILE 83 N 0.00 0.00 -0.29 4.15 2.10 -1.94 0.36 117.51 121.89 3hf5 h ILE 83 Ca -0.00 -0.84 -0.14 0.00 1.08 0.00 0.00 64.86 64.96 3hf5 h ILE 83 Cb 0.20 1.83 -0.00 0.00 -1.09 0.00 0.00 36.82 37.76 3hf5 h ILE 83 CO 0.00 0.00 -0.35 -0.09 -1.08 0.00 0.00 178.15 176.63 3hf5 h ARG 84 N 0.00 0.75 -0.86 2.19 2.43 -1.63 -2.70 114.38 114.56 3hf5 h ARG 84 Ca 0.00 -0.42 0.12 0.00 -0.81 0.00 0.00 59.98 58.87 3hf5 h ARG 84 Cb 0.87 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 3hf5 h ARG 84 CO 0.00 1.04 0.49 0.87 -1.51 0.00 0.00 179.97 180.86 3hf5 h LYS 85 N 0.50 0.74 -0.49 0.20 1.57 -0.80 0.41 116.57 118.70 3hf5 h LYS 85 Ca 0.04 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hf5 h LYS 85 Cb 0.93 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3hf5 h LYS 85 CO 0.08 0.49 0.30 0.00 -0.57 0.00 0.00 179.45 179.75 3hf5 h ALA 86 N 1.50 0.63 -0.42 3.86 0.00 -1.02 -1.78 119.26 122.03 3hf5 h ALA 86 Ca 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3hf5 h ALA 86 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hf5 h ALA 86 CO -0.29 -0.00 0.20 2.35 0.00 0.00 0.00 179.25 181.51 3hf5 h TRP 87 N 0.59 0.61 0.00 0.00 7.01 -0.93 -1.91 115.95 121.32 3hf5 h TRP 87 Ca 0.20 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 3hf5 h TRP 87 Cb 0.01 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3hf5 h TRP 87 CO -0.06 0.50 -0.20 0.74 -2.79 0.00 0.00 178.44 176.63 3hf5 h PHE 88 N 0.54 0.00 -0.70 2.65 -1.00 -0.71 -0.39 116.94 117.34 3hf5 h PHE 88 Ca 0.14 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.87 3hf5 h PHE 88 Cb 0.12 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 3hf5 h PHE 88 CO -0.01 0.20 0.21 0.93 -1.61 0.00 0.00 178.31 178.02 3hf5 h GLU 89 N 0.00 1.09 -0.75 1.51 4.39 -0.54 -1.28 114.58 119.00 3hf5 h GLU 89 Ca -0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3hf5 h GLU 89 Cb 0.38 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3hf5 h GLU 89 CO 0.03 0.95 0.41 1.25 -1.16 0.00 0.00 179.01 180.49 3hf5 h HIS 90 N 1.03 1.02 -0.97 4.33 2.76 -0.93 -2.34 115.15 120.05 3hf5 h HIS 90 Ca 0.22 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.56 3hf5 h HIS 90 Cb 0.32 -0.33 -0.09 0.00 1.55 0.00 0.00 27.41 28.86 3hf5 h HIS 90 CO 0.02 0.72 0.61 0.78 -1.30 0.00 0.00 177.93 178.76 3hf5 h GLY 91 N 1.03 1.42 2.00 5.26 0.00 -0.25 -0.49 103.07 112.04 3hf5 h GLY 91 Ca 0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3hf5 h GLY 91 CO -0.04 -0.01 -0.17 0.50 0.00 0.00 0.00 176.54 176.82 3hf5 h LYS 92 N 0.66 0.00 -0.16 4.80 1.57 -0.70 0.67 116.57 123.42 3hf5 h LYS 92 Ca 0.53 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.13 3hf5 h LYS 92 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.26 3hf5 h LYS 92 CO -0.29 0.17 -0.58 -0.92 -0.57 0.00 0.00 179.45 177.26 3hf5 h TYR 93 N 0.00 0.89 -0.00 -1.35 3.20 -1.06 -3.40 116.97 115.25 3hf5 h TYR 93 Ca -0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3hf5 h TYR 93 Cb 0.35 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3hf5 h TYR 93 CO 0.00 1.17 -0.05 1.97 -1.64 0.00 0.00 178.16 179.61 3hf5 n PHE 94 N -4.11 0.00 -3.57 -3.82 1.16 -1.10 -4.85 117.46 101.17 3hf5 n PHE 94 Ca -0.07 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.10 3hf5 n PHE 94 Cb 0.64 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.41 3hf5 n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hf5 s ILE 95 N -0.64 4.56 -0.01 1.97 1.01 0.21 -4.12 121.20 124.18 3hf5 s ILE 95 Ca 0.02 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 3hf5 s ILE 95 Cb 0.02 -3.65 -0.21 0.00 0.01 0.00 0.00 42.46 38.63 3hf5 s ILE 95 CO 0.06 -0.37 1.14 1.23 0.00 0.00 0.00 174.94 177.00 3hf5 h GLY 96 N 8.47 0.34 -4.79 6.18 0.00 -0.69 -3.44 103.07 109.14 3hf5 h GLY 96 Ca -0.25 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 3hf5 h GLY 96 CO 0.72 0.45 -0.45 1.20 0.00 0.00 0.00 176.54 178.46 3hf5 s GLN 97 N -3.50 0.49 -0.02 4.80 -0.21 -0.82 -4.89 119.66 115.51 3hf5 s GLN 97 Ca -0.14 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 54.96 3hf5 s GLN 97 Cb 0.03 0.21 0.02 0.00 1.00 0.00 0.00 33.01 34.27 3hf5 s GLN 97 CO 0.77 -0.12 0.01 -1.17 -2.12 0.00 0.00 175.29 172.66 3hf5 s LEU 98 N -1.20 1.36 -0.27 2.90 2.96 -1.26 -1.10 118.68 122.07 3hf5 s LEU 98 Ca -0.13 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3hf5 s LEU 98 Cb -0.06 -0.13 0.06 0.00 0.50 0.00 0.00 46.19 46.55 3hf5 s LEU 98 CO 0.02 -0.08 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.14 3hf5 s LYS 99 N 0.76 2.31 0.08 1.98 2.47 -0.46 -4.98 119.74 121.90 3hf5 s LYS 99 Ca -0.07 -1.31 -0.15 0.00 -1.56 0.00 0.00 55.97 52.87 3hf5 s LYS 99 Cb -0.10 -2.96 -0.06 0.00 -1.46 0.00 0.00 37.83 33.24 3hf5 s LYS 99 CO -0.02 -0.57 0.51 -2.14 0.16 0.00 0.00 175.35 173.29 3hf5 s PRO 100 N 1.15 4.01 -0.14 4.03 0.02 -1.26 -1.01 135.00 141.78 3hf5 s PRO 100 Ca -0.08 0.51 0.01 0.00 0.02 0.00 0.00 61.00 61.46 3hf5 s PRO 100 Cb -0.20 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.25 3hf5 s PRO 100 CO -0.04 0.58 -0.15 -0.06 -0.33 0.00 0.00 177.00 177.00 3hf5 s PHE 101 N -1.26 2.22 -0.19 6.54 0.08 0.43 -4.99 117.98 120.80 3hf5 s PHE 101 Ca 0.31 -1.21 -0.26 0.00 0.12 0.00 0.00 56.93 55.89 3hf5 s PHE 101 Cb -0.17 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 3hf5 s PHE 101 CO 0.18 -0.64 0.86 0.08 -0.10 0.00 0.00 175.22 175.60 3hf5 s VAL 102 N 1.34 4.84 0.30 -0.44 1.01 -1.26 -0.95 120.40 125.24 3hf5 s VAL 102 Ca 0.02 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.74 3hf5 s VAL 102 Cb -0.13 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3hf5 s VAL 102 CO -0.09 -0.03 0.44 0.42 0.00 0.00 0.00 175.10 175.84 3hf5 s THR 103 N 2.47 4.58 -0.08 3.92 -4.23 -0.60 -5.00 115.64 116.70 3hf5 s THR 103 Ca 0.38 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3hf5 s THR 103 Cb -0.16 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3hf5 s THR 103 CO 0.10 -0.24 -0.09 -0.70 -0.54 0.00 0.00 174.62 173.15 3hf5 s GLU 104 N -4.12 1.43 0.22 3.99 2.12 -1.26 -4.58 118.70 116.51 3hf5 s GLU 104 Ca 0.41 -0.28 -0.24 0.00 0.36 0.00 0.00 54.97 55.21 3hf5 s GLU 104 Cb -0.09 -1.33 -0.09 0.00 0.26 0.00 0.00 34.13 32.88 3hf5 s GLU 104 CO 0.31 -0.09 0.80 -2.00 -0.54 0.00 0.00 175.26 173.74 3hf5 s GLU 105 N 1.07 4.48 -0.00 4.30 2.56 -1.26 -4.98 118.70 124.87 3hf5 s GLU 105 Ca -0.07 1.12 0.11 0.00 0.00 0.00 0.00 54.97 56.12 3hf5 s GLU 105 Cb -0.14 -3.04 -0.14 0.00 2.00 0.00 0.00 34.13 32.81 3hf5 s GLU 105 CO -0.01 0.45 0.44 1.28 -0.56 0.00 0.00 175.26 176.86 3hf5 n LEU 106 N 1.09 0.42 0.00 2.70 4.77 -1.26 -5.12 117.00 119.59 3hf5 n LEU 106 Ca -0.03 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3hf5 n LEU 106 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3hf5 n LEU 106 CO 0.45 0.11 0.00 1.33 -1.33 0.00 0.00 177.39 177.95