#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf5 s ARG 0 N 0.00 3.10 0.40 1.61 6.06 -1.26 -5.06 118.95 123.80 3hf5 s ARG 0 Ca 0.00 -0.74 -0.26 0.00 -2.50 0.00 0.00 55.73 52.23 3hf5 s ARG 0 Cb 0.00 -2.69 -0.09 0.00 0.06 0.00 0.00 34.95 32.23 3hf5 s ARG 0 CO 0.00 -0.09 1.25 -1.64 -2.50 0.00 0.00 175.30 172.32 3hf5 s MET 1 N -4.36 4.02 0.12 5.12 -1.94 -1.26 -4.82 119.30 116.19 3hf5 s MET 1 Ca 0.46 2.04 -0.31 0.00 -1.71 0.00 0.00 55.69 56.17 3hf5 s MET 1 Cb -0.10 -2.75 -0.08 0.00 2.01 0.00 0.00 34.83 33.92 3hf5 s MET 1 CO 0.34 -0.41 1.33 0.42 -0.01 0.00 0.00 175.02 176.69 3hf5 s ILE 2 N -1.31 3.44 -0.04 2.53 1.01 0.13 -4.87 121.20 122.09 3hf5 s ILE 2 Ca 0.56 1.06 0.03 0.00 0.00 0.00 0.00 60.65 62.30 3hf5 s ILE 2 Cb -0.35 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.44 3hf5 s ILE 2 CO 0.45 0.10 -0.12 -0.13 0.00 0.00 0.00 174.94 175.24 3hf5 s ARG 3 N 0.84 1.42 -0.11 2.79 0.52 -1.26 -0.37 118.95 122.77 3hf5 s ARG 3 Ca 0.62 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 55.43 3hf5 s ARG 3 Cb -0.35 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 33.90 3hf5 s ARG 3 CO 0.32 0.11 -0.14 0.42 0.02 0.00 0.00 175.30 176.03 3hf5 s ILE 4 N 0.34 1.40 -0.10 1.52 1.01 -0.41 -1.40 121.20 123.55 3hf5 s ILE 4 Ca -0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 3hf5 s ILE 4 Cb -0.12 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3hf5 s ILE 4 CO 0.02 0.42 -0.07 -0.22 0.00 0.00 0.00 174.94 175.09 3hf5 s LEU 5 N 1.13 3.13 -0.08 2.97 2.96 0.02 -0.97 118.68 127.84 3hf5 s LEU 5 Ca -0.04 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 3hf5 s LEU 5 Cb -0.14 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 3hf5 s LEU 5 CO -0.03 0.29 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.76 3hf5 s TYR 6 N -0.39 2.29 -0.23 5.38 2.02 0.12 0.22 117.35 126.76 3hf5 s TYR 6 Ca 0.06 -0.83 -0.17 0.00 -0.37 0.00 0.00 57.07 55.76 3hf5 s TYR 6 Cb -0.12 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 3hf5 s TYR 6 CO 0.02 -0.32 0.44 -0.51 -1.57 0.00 0.00 175.55 173.62 3hf5 s LEU 7 N 0.20 4.11 -0.10 -1.29 1.43 -0.10 -0.91 118.68 122.03 3hf5 s LEU 7 Ca -0.12 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3hf5 s LEU 7 Cb -0.16 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3hf5 s LEU 7 CO 0.06 -0.17 -0.12 -0.76 0.23 0.00 0.00 176.35 175.59 3hf5 s LEU 8 N 1.75 2.81 -0.10 1.79 1.43 -0.06 -1.41 118.68 124.89 3hf5 s LEU 8 Ca 0.20 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3hf5 s LEU 8 Cb -0.15 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3hf5 s LEU 8 CO 0.09 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 176.02 3hf5 s VAL 9 N -0.16 2.38 0.64 -1.59 1.01 -0.31 -0.67 120.40 121.70 3hf5 s VAL 9 Ca -0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 3hf5 s VAL 9 Cb -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3hf5 s VAL 9 CO 0.03 0.55 1.07 -1.59 0.00 0.00 0.00 175.10 175.16 3hf5 s LYS 10 N 0.26 3.07 0.53 2.72 -2.85 -1.26 0.23 119.74 122.44 3hf5 s LYS 10 Ca -0.14 1.20 -0.22 0.00 -1.00 0.00 0.00 55.97 55.81 3hf5 s LYS 10 Cb -0.17 -2.00 -0.05 0.00 -2.06 0.00 0.00 37.83 33.55 3hf5 s LYS 10 CO 0.07 -1.01 1.31 -2.14 0.10 0.00 0.00 175.35 173.68 3hf5 s PRO 11 N -4.30 3.29 0.49 1.78 0.02 -1.26 -4.26 135.00 130.77 3hf5 s PRO 11 Ca 0.63 2.12 0.33 0.00 0.02 0.00 0.00 61.00 64.10 3hf5 s PRO 11 Cb -0.17 -2.29 1.56 0.00 0.02 0.00 0.00 34.50 33.62 3hf5 s PRO 11 CO 0.42 -1.04 1.99 0.93 -0.33 0.00 0.00 177.00 178.98 3hf5 h GLU 12 N 1.59 0.00 -0.00 5.54 4.39 -1.97 -1.44 114.58 122.69 3hf5 h GLU 12 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3hf5 h GLU 12 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3hf5 h GLU 12 CO 0.58 0.00 -0.02 -1.13 -1.16 0.00 0.00 179.01 177.28 3hf5 n SER 13 N -2.81 0.27 -4.39 1.42 3.41 -1.26 -4.84 113.62 105.43 3hf5 n SER 13 Ca -0.00 -0.82 -0.31 0.00 -0.26 0.00 0.00 58.87 57.48 3hf5 n SER 13 Cb 0.19 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.20 2.21 0.68 4.33 -2.45 -0.54 -5.13 119.30 116.21 3hf5 s MET 14 Ca 0.39 -0.87 -0.11 0.00 -1.25 0.00 0.00 55.69 53.85 3hf5 s MET 14 Cb 0.21 -2.16 -0.00 0.00 1.25 0.00 0.00 34.83 34.13 3hf5 s MET 14 CO 0.40 0.58 1.06 -1.54 1.05 0.00 0.00 175.02 176.57 3hf5 s SER 15 N -0.80 5.56 0.20 1.11 1.04 -1.26 -4.82 113.70 114.73 3hf5 s SER 15 Ca 0.11 1.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.91 3hf5 s SER 15 Cb -0.10 -2.39 0.18 0.00 0.10 0.00 0.00 66.02 63.81 3hf5 s SER 15 CO 0.00 -1.31 1.82 0.45 0.98 0.00 0.00 173.24 175.18 3hf5 h HIS 16 N -0.63 0.67 -0.51 5.02 3.86 -1.99 -1.19 115.15 120.37 3hf5 h HIS 16 Ca -0.44 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 58.66 3hf5 h HIS 16 Cb 1.21 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 3hf5 h HIS 16 CO 0.61 0.35 -0.17 0.93 0.86 0.00 0.00 177.93 180.51 3hf5 h GLU 17 N 0.69 1.02 -0.17 2.45 4.39 -2.00 -0.91 114.58 120.06 3hf5 h GLU 17 Ca 0.26 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 3hf5 h GLU 17 Cb 0.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3hf5 h GLU 17 CO -0.14 1.10 0.09 0.37 -1.16 0.00 0.00 179.01 179.27 3hf5 h GLN 18 N 0.89 0.23 -0.67 2.33 5.75 -1.91 -2.11 115.11 119.62 3hf5 h GLN 18 Ca 0.13 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.74 3hf5 h GLN 18 Cb 0.75 -0.05 -0.10 0.00 1.07 0.00 0.00 27.48 29.15 3hf5 h GLN 18 CO 0.06 0.23 0.13 0.35 -2.65 0.00 0.00 178.83 176.95 3hf5 h PHE 19 N 0.18 0.20 -0.67 3.99 3.57 -0.97 0.69 116.94 123.92 3hf5 h PHE 19 Ca 0.06 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3hf5 h PHE 19 Cb 0.06 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3hf5 h PHE 19 CO -0.04 -0.08 0.44 -0.09 -2.23 0.00 0.00 178.31 176.31 3hf5 h ARG 20 N 0.24 0.81 -0.29 1.11 2.43 -0.56 0.13 114.38 118.25 3hf5 h ARG 20 Ca 0.37 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.31 3hf5 h ARG 20 Cb 0.59 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hf5 h ARG 20 CO -0.48 0.54 -0.50 0.87 -1.51 0.00 0.00 179.97 178.89 3hf5 h LYS 21 N 0.84 0.83 0.00 0.20 1.57 -0.39 -2.86 116.57 116.75 3hf5 h LYS 21 Ca 0.26 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 3hf5 h LYS 21 Cb 0.02 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3hf5 h LYS 21 CO -0.07 1.13 -0.50 0.93 -0.57 0.00 0.00 179.45 180.38 3hf5 h GLU 22 N 0.65 0.00 -0.55 3.15 4.39 -0.16 -1.74 114.58 120.32 3hf5 h GLU 22 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3hf5 h GLU 22 Cb 1.09 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 3hf5 h GLU 22 CO 0.11 0.50 0.31 0.00 -1.16 0.00 0.00 179.01 178.76 3hf5 h VAL 24 N 0.74 1.25 -0.67 0.00 2.07 -1.23 -0.83 116.25 117.58 3hf5 h VAL 24 Ca 0.19 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3hf5 h VAL 24 Cb 0.04 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3hf5 h VAL 24 CO -0.03 0.34 0.44 0.58 0.02 0.00 0.00 177.57 178.91 3hf5 h VAL 25 N 0.74 1.15 -0.75 2.57 2.07 -1.05 -0.61 116.25 120.37 3hf5 h VAL 25 Ca 0.16 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3hf5 h VAL 25 Cb 0.39 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3hf5 h VAL 25 CO 0.01 0.16 0.26 -0.74 0.02 0.00 0.00 177.57 177.28 3hf5 h HIS 26 N 0.89 1.19 -0.25 1.57 2.76 -0.30 0.37 115.15 121.36 3hf5 h HIS 26 Ca 0.25 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3hf5 h HIS 26 Cb -0.08 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.52 3hf5 h HIS 26 CO -0.03 0.92 0.14 0.35 -1.30 0.00 0.00 177.93 178.02 3hf5 h PHE 27 N 1.11 0.34 -0.65 5.26 3.57 -0.66 -2.61 116.94 123.30 3hf5 h PHE 27 Ca 0.25 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.81 3hf5 h PHE 27 Cb 0.27 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3hf5 h PHE 27 CO 0.02 0.28 0.33 0.37 -2.23 0.00 0.00 178.31 177.08 3hf5 h GLN 28 N 0.30 0.57 -0.22 1.11 5.75 -0.36 -2.11 115.11 120.16 3hf5 h GLN 28 Ca 0.09 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3hf5 h GLN 28 Cb 0.05 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3hf5 h GLN 28 CO -0.02 0.38 0.04 0.52 -2.65 0.00 0.00 178.83 177.10 3hf5 h MET 29 N 0.59 0.31 0.00 1.69 2.86 -0.80 -2.86 114.93 116.72 3hf5 h MET 29 Ca 0.31 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3hf5 h MET 29 Cb 0.27 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3hf5 h MET 29 CO -0.23 0.31 0.00 0.66 1.06 0.00 0.00 176.91 178.71 3hf5 h SER 30 N 0.31 0.00 -2.23 1.22 4.64 -0.99 -3.45 113.55 113.05 3hf5 h SER 30 Ca 0.08 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.81 3hf5 h SER 30 Cb 0.15 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.29 3hf5 h SER 30 CO -0.00 0.00 0.89 0.00 -0.87 0.00 0.00 176.83 176.85 3hf5 n ALA 31 N -1.84 1.31 -1.42 5.18 0.00 -1.08 -1.76 120.51 120.89 3hf5 n ALA 31 Ca 0.02 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.75 3hf5 n ALA 31 Cb 0.26 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 3hf5 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf5 n GLY 32 N 3.69 1.06 3.77 0.00 0.00 -1.26 -4.95 105.19 107.50 3hf5 n GLY 32 Ca 0.18 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3hf5 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hf5 s MET 33 N -3.11 4.34 0.29 1.61 1.75 -0.73 -4.92 119.30 118.55 3hf5 s MET 33 Ca 0.00 2.23 -0.30 0.00 -1.25 0.00 0.00 55.69 56.37 3hf5 s MET 33 Cb 0.00 -3.08 -0.12 0.00 2.84 0.00 0.00 34.83 34.47 3hf5 s MET 33 CO 0.00 -0.22 1.52 -2.30 -0.65 0.00 0.00 175.02 173.37 3hf5 n PRO 34 N 1.00 2.51 0.00 4.11 -0.02 -1.26 -2.52 135.00 138.82 3hf5 n PRO 34 Ca 0.01 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3hf5 n PRO 34 Cb 0.42 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 1.88 2.51 3.74 -1.23 0.00 -1.26 -3.78 105.19 107.05 3hf5 n GLY 35 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 4.30 -0.04 0.99 2.96 -1.05 -4.31 118.68 121.54 3hf5 s LEU 36 Ca 0.00 0.81 -0.15 0.00 -0.22 0.00 0.00 54.13 54.57 3hf5 s LEU 36 Cb 0.00 -2.65 -0.32 0.00 0.50 0.00 0.00 46.19 43.72 3hf5 s LEU 36 CO 0.00 0.06 0.77 -0.74 -1.32 0.00 0.00 176.35 175.11 3hf5 h HIS 37 N 6.43 0.72 -1.98 5.38 -0.00 -1.04 -3.45 115.15 121.22 3hf5 h HIS 37 Ca -0.42 -0.53 -0.05 0.00 -0.00 0.00 0.00 60.37 59.37 3hf5 h HIS 37 Cb 1.18 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.37 3hf5 h HIS 37 CO 0.63 1.58 0.19 0.21 -0.00 0.00 0.00 177.93 180.54 3hf5 s LYS 38 N -2.54 0.98 -0.02 5.26 2.20 -1.16 -4.98 119.74 119.47 3hf5 s LYS 38 Ca -0.14 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 3hf5 s LYS 38 Cb 0.04 0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 3hf5 s LYS 38 CO 0.86 -0.26 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.99 3hf5 s TYR 39 N -0.77 1.21 -0.00 4.03 5.04 -1.26 -1.14 117.35 124.45 3hf5 s TYR 39 Ca -0.08 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3hf5 s TYR 39 Cb -0.01 -0.80 -0.01 0.00 0.35 0.00 0.00 41.96 41.49 3hf5 s TYR 39 CO 0.07 -0.06 -0.08 -2.00 -1.34 0.00 0.00 175.55 172.14 3hf5 s GLU 40 N -0.15 0.63 -0.02 4.97 2.12 -0.20 -4.98 118.70 121.07 3hf5 s GLU 40 Ca 0.02 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.06 3hf5 s GLU 40 Cb -0.07 -0.60 0.01 0.00 0.26 0.00 0.00 34.13 33.73 3hf5 s GLU 40 CO 0.00 0.16 -0.04 0.54 -0.54 0.00 0.00 175.26 175.39 3hf5 s VAL 41 N -0.23 0.38 0.01 3.70 0.11 -1.26 -0.51 120.40 122.61 3hf5 s VAL 41 Ca 0.03 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 3hf5 s VAL 41 Cb -0.03 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3hf5 s VAL 41 CO -0.00 0.14 -0.00 0.00 -3.33 0.00 0.00 175.10 171.91 3hf5 s ARG 42 N 0.31 0.30 0.52 1.54 1.70 -0.60 -4.99 118.95 117.73 3hf5 s ARG 42 Ca -0.03 -0.50 -0.18 0.00 -0.47 0.00 0.00 55.73 54.54 3hf5 s ARG 42 Cb -0.07 0.11 -0.07 0.00 -0.57 0.00 0.00 34.95 34.35 3hf5 s ARG 42 CO -0.00 -0.05 1.03 -0.51 -1.08 0.00 0.00 175.30 174.68 3hf5 s LEU 43 N -1.27 3.70 -0.34 -1.89 1.43 -1.26 -0.83 118.68 118.22 3hf5 s LEU 43 Ca -0.14 1.80 -0.27 0.00 -1.03 0.00 0.00 54.13 54.49 3hf5 s LEU 43 Cb -0.08 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.61 3hf5 s LEU 43 CO -0.01 -0.83 0.99 -0.69 0.23 0.00 0.00 176.35 176.04 3hf5 s VAL 44 N -2.28 4.57 -0.09 -1.59 1.01 -0.53 -4.81 120.40 116.67 3hf5 s VAL 44 Ca 0.64 1.48 0.18 0.00 0.00 0.00 0.00 61.98 64.27 3hf5 s VAL 44 Cb -0.14 -4.35 -0.26 0.00 0.00 0.00 0.00 36.38 31.62 3hf5 s VAL 44 CO 0.27 -0.48 0.26 0.00 0.00 0.00 0.00 175.10 175.15 3hf5 n ALA 45 N 6.76 2.19 -3.13 5.51 0.00 -1.26 -4.93 120.51 125.65 3hf5 n ALA 45 Ca 0.09 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 3hf5 n ALA 45 Cb 0.48 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 -4.63 -0.11 -0.48 0.00 0.00 -1.26 -5.09 107.32 95.74 3hf5 s GLY 46 Ca -0.08 0.15 0.07 0.00 0.00 0.00 0.00 44.72 44.86 3hf5 s GLY 46 CO 0.76 -0.05 0.54 0.70 0.00 0.00 0.00 173.10 175.05 3hf5 n ASN 47 N 1.05 1.20 -4.77 1.64 3.02 -1.26 -5.11 115.26 111.03 3hf5 n ASN 47 Ca -0.21 -2.87 -0.36 0.00 -0.03 0.00 0.00 54.58 51.11 3hf5 n ASN 47 Cb 0.57 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.32 3.32 0.00 3.52 0.04 -1.26 -4.94 135.00 134.36 3hf5 s PRO 48 Ca 0.35 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3hf5 s PRO 48 Cb 0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3hf5 s PRO 48 CO -0.11 -0.90 0.56 0.25 0.04 0.00 0.00 177.00 176.85 3hf5 n THR 49 N -1.20 0.13 -0.77 1.26 -2.24 -1.26 -4.81 114.28 105.38 3hf5 n THR 49 Ca 0.11 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 3hf5 n THR 49 Cb 0.50 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.06 4.27 0.19 3.42 5.75 -1.26 -4.70 116.55 124.16 3hf5 n ASP 50 Ca 0.00 -2.25 0.08 0.00 -0.01 0.00 0.00 54.79 52.61 3hf5 n ASP 50 Cb 0.03 -1.08 0.20 0.00 -1.03 0.00 0.00 41.12 39.24 3hf5 n ASP 50 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3hf5 h THR 51 N 2.42 0.45 0.00 2.12 1.35 -1.97 -3.48 112.91 113.80 3hf5 h THR 51 Ca 0.22 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3hf5 h THR 51 Cb 0.98 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3hf5 h THR 51 CO 0.50 0.24 0.00 1.41 -0.25 0.00 0.00 175.52 177.42 3hf5 n HIS 52 N -3.21 0.00 -1.67 4.73 8.25 -1.26 -4.88 115.22 117.18 3hf5 n HIS 52 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.16 3hf5 n HIS 52 Cb 0.58 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.73 3hf5 n HIS 52 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hf5 s VAL 53 N 0.00 3.71 0.21 1.59 -7.23 -1.26 -4.96 120.40 112.46 3hf5 s VAL 53 Ca 0.00 0.66 -0.32 0.00 -1.81 0.00 0.00 61.98 60.51 3hf5 s VAL 53 Cb 0.00 -3.25 -0.14 0.00 0.56 0.00 0.00 36.38 33.55 3hf5 s VAL 53 CO 0.00 -0.62 1.40 -2.65 -0.31 0.00 0.00 175.10 172.91 3hf5 n PRO 54 N -2.80 1.90 -2.44 4.82 -0.02 -1.26 -4.92 135.00 130.28 3hf5 n PRO 54 Ca 0.09 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 3hf5 n PRO 54 Cb 0.53 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.09 3.50 -0.25 6.00 5.04 -1.26 -5.03 117.35 125.44 3hf5 s TYR 55 Ca 0.71 1.49 -0.10 0.00 -2.44 0.00 0.00 57.07 56.73 3hf5 s TYR 55 Cb -0.69 -3.36 -0.04 0.00 0.35 0.00 0.00 41.96 38.21 3hf5 s TYR 55 CO 0.48 -0.94 0.14 -1.17 -1.34 0.00 0.00 175.55 172.71 3hf5 s LEU 56 N -0.12 3.90 -0.31 6.97 2.96 -1.26 -5.06 118.68 125.76 3hf5 s LEU 56 Ca 0.52 0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 54.31 3hf5 s LEU 56 Cb -0.31 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 3hf5 s LEU 56 CO 0.35 0.03 0.24 -0.62 -1.32 0.00 0.00 176.35 175.02 3hf5 s ASP 57 N 1.28 6.07 -0.07 3.68 2.15 -1.26 -4.90 116.67 123.62 3hf5 s ASP 57 Ca 0.06 -0.16 0.11 0.00 0.43 0.00 0.00 52.55 52.99 3hf5 s ASP 57 Cb -0.14 -2.14 0.26 0.00 -0.30 0.00 0.00 42.92 40.60 3hf5 s ASP 57 CO 0.06 -0.16 1.19 1.33 -0.17 0.00 0.00 175.17 177.42 3hf5 n VAL 58 N 5.10 1.48 -3.39 1.11 0.24 -1.26 -5.11 118.33 116.49 3hf5 n VAL 58 Ca -0.13 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 3hf5 n VAL 58 Cb 0.51 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 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 -0.43 -1.83 3.59 7.63 0.00 -1.26 -4.77 105.19 108.11 3hf5 n GLY 59 Ca 0.11 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 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 3.87 -0.16 1.61 3.52 -1.26 -5.04 118.95 121.48 3hf5 s ARG 60 Ca 0.00 0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 55.66 3hf5 s ARG 60 Cb 0.00 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3hf5 s ARG 60 CO 0.00 -0.49 -0.00 0.42 -0.81 0.00 0.00 175.30 174.42 3hf5 s ILE 61 N 2.37 4.24 -0.10 4.11 -1.09 -1.26 -4.83 121.20 124.64 3hf5 s ILE 61 Ca 0.20 -0.24 0.11 0.00 -2.23 0.00 0.00 60.65 58.50 3hf5 s ILE 61 Cb -0.15 -2.87 -0.24 0.00 -1.58 0.00 0.00 42.46 37.62 3hf5 s ILE 61 CO 0.11 0.49 0.46 0.47 -1.23 0.00 0.00 174.94 175.24 3hf5 n ASP 62 N 3.45 0.87 -3.73 3.58 8.00 0.15 -4.63 116.55 124.24 3hf5 n ASP 62 Ca -0.17 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.51 3hf5 n ASP 62 Cb 0.52 0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.57 -0.75 -0.12 2.24 0.00 -0.81 -1.46 121.76 118.29 3hf5 s ALA 63 Ca -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3hf5 s ALA 63 Cb 0.07 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.97 3hf5 s ALA 63 CO 0.81 -0.69 -0.15 0.42 0.00 0.00 0.00 175.76 176.15 3hf5 s ILE 64 N -3.85 1.55 0.22 0.00 1.01 -0.01 -0.88 121.20 119.24 3hf5 s ILE 64 Ca 0.07 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3hf5 s ILE 64 Cb 0.01 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3hf5 s ILE 64 CO -0.07 0.45 0.07 -0.83 0.00 0.00 0.00 174.94 174.55 3hf5 s GLY 65 N 1.06 1.62 -0.17 6.18 0.00 -0.08 -1.55 107.32 114.37 3hf5 s GLY 65 Ca -0.05 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.07 3hf5 s GLY 65 CO -0.03 -1.49 0.46 1.85 0.00 0.00 0.00 173.10 173.89 3hf5 s GLU 66 N -3.42 0.52 -0.03 2.90 2.12 0.34 0.11 118.70 121.24 3hf5 s GLU 66 Ca 0.30 0.67 0.07 0.00 0.36 0.00 0.00 54.97 56.37 3hf5 s GLU 66 Cb -0.08 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 3hf5 s GLU 66 CO 0.21 -0.08 -0.23 0.00 -0.54 0.00 0.00 175.26 174.63 3hf5 s TRP 68 N -0.43 2.57 -0.02 0.00 0.51 -0.29 -1.29 118.94 119.99 3hf5 s TRP 68 Ca 0.06 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.65 3hf5 s TRP 68 Cb -0.10 -1.62 -0.00 0.00 -0.81 0.00 0.00 33.47 30.94 3hf5 s TRP 68 CO 0.00 -0.01 -0.12 -0.06 -0.51 0.00 0.00 176.95 176.25 3hf5 s PHE 69 N -0.43 1.12 -0.23 -1.98 0.08 0.50 -0.39 117.98 116.66 3hf5 s PHE 69 Ca 0.05 -0.25 0.28 0.00 0.12 0.00 0.00 56.93 57.12 3hf5 s PHE 69 Cb -0.12 -0.75 0.85 0.00 -0.57 0.00 0.00 43.02 42.43 3hf5 s PHE 69 CO 0.02 -0.07 1.79 0.00 -0.10 0.00 0.00 175.22 176.86 3hf5 h ALA 70 N 6.10 1.00 -2.33 5.36 0.00 -1.86 0.39 119.26 127.92 3hf5 h ALA 70 Ca -0.33 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.75 3hf5 h ALA 70 Cb 1.17 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 3hf5 h ALA 70 CO 0.49 0.00 0.49 -1.54 0.00 0.00 0.00 179.25 178.68 3hf5 s SER 71 N -5.77 -0.19 0.24 0.00 1.04 -1.26 -4.63 113.70 103.14 3hf5 s SER 71 Ca 0.05 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 3hf5 s SER 71 Cb 0.07 0.48 0.26 0.00 0.10 0.00 0.00 66.02 66.93 3hf5 s SER 71 CO 0.60 -0.88 1.86 -0.08 0.98 0.00 0.00 173.24 175.71 3hf5 h GLU 72 N 2.00 1.18 -0.62 4.02 4.22 -1.96 -1.62 114.58 121.81 3hf5 h GLU 72 Ca -0.24 -0.15 -0.03 0.00 0.08 0.00 0.00 59.36 59.02 3hf5 h GLU 72 Cb 1.23 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 3hf5 h GLU 72 CO 0.26 0.88 0.27 0.93 -2.18 0.00 0.00 179.01 179.17 3hf5 h GLU 73 N 1.18 0.91 -0.33 1.92 3.07 -1.99 -1.31 114.58 118.02 3hf5 h GLU 73 Ca 0.29 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.36 58.88 3hf5 h GLU 73 Cb 0.06 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3hf5 h GLU 73 CO -0.04 0.75 -0.30 1.96 -1.40 0.00 0.00 179.01 179.98 3hf5 h GLN 74 N 0.85 0.71 -0.63 2.33 1.08 -1.74 -1.40 115.11 116.32 3hf5 h GLN 74 Ca 0.21 -0.32 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 3hf5 h GLN 74 Cb 0.17 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 3hf5 h GLN 74 CO -0.02 0.92 0.34 -0.92 -0.95 0.00 0.00 178.83 178.21 3hf5 h TYR 75 N 0.60 0.63 -0.52 2.96 3.20 -0.89 -0.72 116.97 122.24 3hf5 h TYR 75 Ca 0.07 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3hf5 h TYR 75 Cb 0.81 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3hf5 h TYR 75 CO 0.04 0.31 0.01 1.96 -1.64 0.00 0.00 178.16 178.84 3hf5 h GLN 76 N 0.65 0.87 -0.53 1.82 1.08 -0.88 -0.02 115.11 118.09 3hf5 h GLN 76 Ca 0.28 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 3hf5 h GLN 76 Cb 0.17 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 3hf5 h GLN 76 CO -0.17 0.86 0.30 0.28 -0.95 0.00 0.00 178.83 179.14 3hf5 h VAL 77 N 0.81 1.02 -0.31 -0.54 2.07 -0.70 -1.25 116.25 117.35 3hf5 h VAL 77 Ca 0.16 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3hf5 h VAL 77 Cb 0.46 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hf5 h VAL 77 CO 0.02 0.11 0.19 0.22 0.02 0.00 0.00 177.57 178.13 3hf5 h TYR 78 N 0.59 0.35 -0.21 1.57 3.20 -0.82 -2.32 116.97 119.34 3hf5 h TYR 78 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3hf5 h TYR 78 Cb 0.06 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3hf5 h TYR 78 CO -0.08 0.21 0.01 0.52 -1.64 0.00 0.00 178.16 177.18 3hf5 h MET 79 N 0.38 0.30 0.00 1.82 2.86 -0.42 -2.44 114.93 117.43 3hf5 h MET 79 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3hf5 h MET 79 Cb -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3hf5 h MET 79 CO -0.05 0.32 -0.07 0.93 1.06 0.00 0.00 176.91 179.10 3hf5 h GLU 80 N 0.29 0.00 -6.61 1.72 4.39 -0.87 -3.47 114.58 110.03 3hf5 h GLU 80 Ca 0.07 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.25 3hf5 h GLU 80 Cb 0.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3hf5 h GLU 80 CO 0.00 0.00 0.54 0.45 -1.16 0.00 0.00 179.01 178.84 3hf5 s SER 81 N -5.26 7.12 0.46 1.42 0.15 -0.91 -4.92 113.70 111.77 3hf5 s SER 81 Ca 0.08 2.13 0.26 0.00 0.70 0.00 0.00 55.95 59.13 3hf5 s SER 81 Cb 0.09 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.84 3hf5 s SER 81 CO 0.64 -0.37 1.87 0.44 1.20 0.00 0.00 173.24 177.02 3hf5 h ASP 82 N 5.70 0.00 -0.26 5.45 3.32 -1.91 -2.22 116.42 126.50 3hf5 h ASP 82 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 3hf5 h ASP 82 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3hf5 h ASP 82 CO 0.76 0.18 0.06 0.40 -1.72 0.00 0.00 179.24 178.92 3hf5 h ILE 83 N 0.00 1.22 -0.24 0.35 5.03 -1.94 -1.85 117.51 120.08 3hf5 h ILE 83 Ca -0.00 -0.73 -0.00 0.00 -0.12 0.00 0.00 64.86 64.01 3hf5 h ILE 83 Cb 0.68 1.20 -0.01 0.00 -3.03 0.00 0.00 36.82 35.66 3hf5 h ILE 83 CO 0.02 0.24 0.14 -0.09 -0.68 0.00 0.00 178.15 177.78 3hf5 h ARG 84 N 0.25 0.33 -0.88 2.37 2.43 -1.76 -0.82 114.38 116.30 3hf5 h ARG 84 Ca 0.08 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3hf5 h ARG 84 Cb 0.30 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 3hf5 h ARG 84 CO 0.00 0.27 0.54 0.87 -1.51 0.00 0.00 179.97 180.14 3hf5 h LYS 85 N 0.30 0.93 -0.51 0.20 1.57 -1.16 0.06 116.57 117.95 3hf5 h LYS 85 Ca 0.09 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3hf5 h LYS 85 Cb 0.03 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3hf5 h LYS 85 CO -0.02 0.61 -0.01 0.00 -0.57 0.00 0.00 179.45 179.47 3hf5 h ALA 86 N 1.43 1.01 -0.73 3.86 0.00 -1.00 -1.79 119.26 122.05 3hf5 h ALA 86 Ca 0.40 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hf5 h ALA 86 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hf5 h ALA 86 CO -0.20 0.61 0.27 2.35 0.00 0.00 0.00 179.25 182.28 3hf5 h TRP 87 N 0.81 1.13 0.00 0.00 7.01 -0.13 -2.09 115.95 122.68 3hf5 h TRP 87 Ca 0.15 -0.09 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 3hf5 h TRP 87 Cb 0.50 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 3hf5 h TRP 87 CO 0.03 0.87 -0.26 0.74 -2.79 0.00 0.00 178.44 177.03 3hf5 h PHE 88 N 1.06 0.00 -0.66 2.65 -1.00 -0.66 -1.05 116.94 117.29 3hf5 h PHE 88 Ca 0.24 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.96 3hf5 h PHE 88 Cb 0.24 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 3hf5 h PHE 88 CO 0.02 0.26 0.15 0.93 -1.61 0.00 0.00 178.31 178.07 3hf5 h GLU 89 N 0.00 1.04 -0.72 1.51 4.39 -0.66 -0.95 114.58 119.19 3hf5 h GLU 89 Ca -0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3hf5 h GLU 89 Cb 0.47 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3hf5 h GLU 89 CO 0.03 0.93 0.42 1.25 -1.16 0.00 0.00 179.01 180.47 3hf5 h HIS 90 N 0.99 0.97 -0.96 4.33 2.76 -0.89 -2.43 115.15 119.93 3hf5 h HIS 90 Ca 0.21 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.55 3hf5 h HIS 90 Cb 0.36 -0.31 -0.11 0.00 1.55 0.00 0.00 27.41 28.89 3hf5 h HIS 90 CO 0.03 0.67 0.54 0.78 -1.30 0.00 0.00 177.93 178.65 3hf5 h GLY 91 N 0.99 1.69 2.00 5.26 0.00 -0.61 -1.25 103.07 111.15 3hf5 h GLY 91 Ca 0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3hf5 h GLY 91 CO -0.04 -0.10 -0.18 0.50 0.00 0.00 0.00 176.54 176.71 3hf5 h LYS 92 N 0.67 0.00 -0.10 4.80 1.57 -0.69 -0.05 116.57 122.77 3hf5 h LYS 92 Ca 0.56 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.24 3hf5 h LYS 92 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3hf5 h LYS 92 CO -0.41 0.18 -0.32 -0.92 -0.57 0.00 0.00 179.45 177.41 3hf5 h TYR 93 N 0.00 0.51 -0.01 -1.35 3.20 -1.11 -3.39 116.97 114.81 3hf5 h TYR 93 Ca -0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3hf5 h TYR 93 Cb 0.37 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3hf5 h TYR 93 CO 0.00 0.93 -0.06 1.97 -1.64 0.00 0.00 178.16 179.36 3hf5 n PHE 94 N -4.41 0.00 -3.82 -3.82 -1.74 -1.01 -4.85 117.46 97.82 3hf5 n PHE 94 Ca -0.08 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.45 3hf5 n PHE 94 Cb 0.49 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.36 3hf5 n PHE 94 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3hf5 s ILE 95 N -1.17 3.48 0.02 1.97 1.01 -0.05 -4.14 121.20 122.31 3hf5 s ILE 95 Ca 0.13 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 3hf5 s ILE 95 Cb 0.10 -2.94 -0.25 0.00 0.01 0.00 0.00 42.46 39.39 3hf5 s ILE 95 CO 0.19 -0.08 1.10 1.23 0.00 0.00 0.00 174.94 177.38 3hf5 h GLY 96 N 8.14 0.56 -4.77 6.18 0.00 -0.39 -3.44 103.07 109.34 3hf5 h GLY 96 Ca -0.25 -1.02 -0.14 0.00 0.00 0.00 0.00 47.33 45.92 3hf5 h GLY 96 CO 0.58 0.90 -0.42 1.20 0.00 0.00 0.00 176.54 178.80 3hf5 s GLN 97 N -3.15 0.51 -0.02 4.80 -0.21 -0.96 -4.92 119.66 115.72 3hf5 s GLN 97 Ca -0.12 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.02 3hf5 s GLN 97 Cb 0.04 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.29 3hf5 s GLN 97 CO 0.86 -0.12 0.05 -1.17 -2.12 0.00 0.00 175.29 172.78 3hf5 s LEU 98 N -1.15 1.45 -0.21 2.90 1.98 -1.26 -1.16 118.68 121.23 3hf5 s LEU 98 Ca -0.12 0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.22 3hf5 s LEU 98 Cb -0.06 0.08 0.04 0.00 0.66 0.00 0.00 46.19 46.91 3hf5 s LEU 98 CO 0.02 -0.07 -0.14 -0.75 -1.89 0.00 0.00 176.35 173.53 3hf5 s LYS 99 N 0.53 2.40 0.12 1.98 2.47 -0.50 -4.97 119.74 121.76 3hf5 s LYS 99 Ca -0.04 -0.98 -0.12 0.00 -1.56 0.00 0.00 55.97 53.27 3hf5 s LYS 99 Cb -0.06 -2.59 -0.06 0.00 -1.46 0.00 0.00 37.83 33.65 3hf5 s LYS 99 CO -0.02 -0.40 0.48 -1.25 0.16 0.00 0.00 175.35 174.33 3hf5 s PRO 100 N 1.28 3.86 -0.14 4.03 0.05 -1.26 -0.92 135.00 141.90 3hf5 s PRO 100 Ca -0.01 0.32 -0.00 0.00 0.05 0.00 0.00 61.00 61.35 3hf5 s PRO 100 Cb -0.16 -2.93 0.03 0.00 0.05 0.00 0.00 34.50 31.49 3hf5 s PRO 100 CO -0.09 0.50 -0.07 -0.06 0.05 0.00 0.00 177.00 177.33 3hf5 s PHE 101 N -1.47 1.60 -0.14 0.56 0.08 0.13 -4.98 117.98 113.75 3hf5 s PHE 101 Ca 0.37 -0.90 -0.26 0.00 0.12 0.00 0.00 56.93 56.25 3hf5 s PHE 101 Cb -0.14 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3hf5 s PHE 101 CO 0.19 -0.56 0.86 0.08 -0.10 0.00 0.00 175.22 175.69 3hf5 s VAL 102 N 1.67 4.87 0.35 -0.44 1.01 -1.26 -0.80 120.40 125.80 3hf5 s VAL 102 Ca 0.03 1.72 0.07 0.00 0.00 0.00 0.00 61.98 63.80 3hf5 s VAL 102 Cb -0.14 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3hf5 s VAL 102 CO -0.08 0.04 0.44 0.42 0.00 0.00 0.00 175.10 175.92 3hf5 s THR 103 N 1.99 3.67 -0.04 3.92 -4.23 -0.50 -4.99 115.64 115.45 3hf5 s THR 103 Ca 0.41 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 3hf5 s THR 103 Cb -0.17 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.43 3hf5 s THR 103 CO 0.14 -0.12 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.34 3hf5 s GLU 104 N -4.16 0.91 0.49 3.99 2.12 -1.26 -4.61 118.70 116.19 3hf5 s GLU 104 Ca 0.46 -0.18 -0.21 0.00 0.36 0.00 0.00 54.97 55.40 3hf5 s GLU 104 Cb -0.08 -0.87 -0.07 0.00 0.26 0.00 0.00 34.13 33.36 3hf5 s GLU 104 CO 0.30 -0.02 1.12 -1.21 -0.54 0.00 0.00 175.26 174.91 3hf5 s GLU 105 N 0.69 3.64 -0.01 4.30 0.41 -1.26 -4.97 118.70 121.51 3hf5 s GLU 105 Ca -0.10 1.61 0.04 0.00 -0.41 0.00 0.00 54.97 56.12 3hf5 s GLU 105 Cb -0.13 -2.21 -0.07 0.00 -1.78 0.00 0.00 34.13 29.95 3hf5 s GLU 105 CO 0.01 -0.61 0.09 1.28 -0.49 0.00 0.00 175.26 175.54 3hf5 n LEU 106 N -0.85 0.00 0.00 1.80 4.77 -1.26 -5.18 117.00 116.28 3hf5 n LEU 106 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hf5 n LEU 106 Cb 0.50 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hf5 n LEU 106 CO 0.44 0.01 0.03 0.52 -1.33 0.00 0.00 177.39 177.06