#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 h GLN 11 N 0.00 1.05 -0.76 3.49 5.75 -2.05 -0.55 115.11 122.04 3hf9 h GLN 11 Ca 0.00 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3hf9 h GLN 11 Cb 0.00 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3hf9 h GLN 11 CO 0.00 0.83 0.32 0.00 -2.65 0.00 0.00 178.83 177.33 3hf9 h ALA 12 N 1.17 0.98 -0.68 3.38 0.00 -2.05 -0.64 119.26 121.42 3hf9 h ALA 12 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 12 Cb 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hf9 h ALA 12 CO -0.03 0.59 0.25 0.52 0.00 0.00 0.00 179.25 180.58 3hf9 h MET 13 N 1.08 1.03 -0.60 0.00 2.86 -1.83 -0.30 114.93 117.16 3hf9 h MET 13 Ca 0.25 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3hf9 h MET 13 Cb 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3hf9 h MET 13 CO -0.02 0.86 0.31 0.00 1.06 0.00 0.00 176.91 179.12 3hf9 h ARG 14 N 0.97 0.85 -0.59 1.72 2.47 -0.61 -0.71 114.38 118.47 3hf9 h ARG 14 Ca 0.22 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 3hf9 h ARG 14 Cb 0.23 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3hf9 h ARG 14 CO -0.02 0.67 0.32 1.49 0.56 0.00 0.00 179.97 182.99 3hf9 h GLU 15 N 0.82 0.84 -0.69 0.04 4.81 -0.65 -2.10 114.58 117.64 3hf9 h GLU 15 Ca 0.21 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hf9 h GLU 15 Cb 0.08 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3hf9 h GLU 15 CO -0.03 0.65 0.34 0.00 -0.73 0.00 0.00 179.01 179.23 3hf9 h ARG 16 N 0.81 0.99 -0.60 1.92 3.08 -0.60 -2.25 114.38 117.73 3hf9 h ARG 16 Ca 0.21 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3hf9 h ARG 16 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3hf9 h ARG 16 CO -0.03 0.78 0.32 1.03 -1.07 0.00 0.00 179.97 181.00 3hf9 h SER 17 N 0.96 0.77 -0.70 7.04 0.87 -0.70 -2.32 113.55 119.48 3hf9 h SER 17 Ca 0.24 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3hf9 h SER 17 Cb 0.11 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3hf9 h SER 17 CO -0.03 0.65 0.24 -0.33 -0.53 0.00 0.00 176.83 176.84 3hf9 h GLU 18 N 0.82 1.07 -0.64 2.24 4.39 -1.15 -0.79 114.58 120.52 3hf9 h GLU 18 Ca 0.21 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3hf9 h GLU 18 Cb 0.07 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3hf9 h GLU 18 CO -0.03 0.91 0.30 -0.07 -1.16 0.00 0.00 179.01 178.96 3hf9 h LEU 19 N 1.02 0.84 -0.65 1.33 3.38 -1.24 -0.28 115.31 119.71 3hf9 h LEU 19 Ca 0.23 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hf9 h LEU 19 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3hf9 h LEU 19 CO -0.01 0.75 0.23 0.00 0.09 0.00 0.00 178.44 179.50 3hf9 h ALA 20 N 1.13 0.85 -0.80 1.53 0.00 -1.15 -0.63 119.26 120.20 3hf9 h ALA 20 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hf9 h ALA 20 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hf9 h ALA 20 CO -0.03 0.49 0.37 -0.09 0.00 0.00 0.00 179.25 180.00 3hf9 h ARG 21 N 0.93 1.16 -0.67 0.00 1.12 -0.65 -0.95 114.38 115.32 3hf9 h ARG 21 Ca 0.21 -0.18 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 3hf9 h ARG 21 Cb 0.25 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 3hf9 h ARG 21 CO -0.01 0.91 0.25 0.87 -3.11 0.00 0.00 179.97 178.87 3hf9 h LYS 22 N 1.14 1.01 -0.66 0.20 1.57 -0.58 0.59 116.57 119.84 3hf9 h LYS 22 Ca 0.27 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3hf9 h LYS 22 Cb 0.14 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3hf9 h LYS 22 CO -0.03 0.86 0.18 0.78 -0.57 0.00 0.00 179.45 180.66 3hf9 h GLY 23 N 0.95 1.12 0.81 3.86 0.00 -0.66 -1.65 103.07 107.50 3hf9 h GLY 23 Ca 0.22 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3hf9 h GLY 23 CO -0.01 0.64 -0.37 -2.22 0.00 0.00 0.00 176.54 174.58 3hf9 h ILE 24 N 0.97 1.37 0.00 2.60 2.04 -0.91 -2.66 117.51 120.92 3hf9 h ILE 24 Ca 0.21 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3hf9 h ILE 24 Cb 0.33 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3hf9 h ILE 24 CO -0.00 0.50 0.00 0.00 0.00 0.00 0.00 178.15 178.65 3hf9 n ALA 25 N -2.51 1.04 -0.02 1.87 0.00 0.20 -0.77 120.51 120.33 3hf9 n ALA 25 Ca -0.07 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3hf9 n ALA 25 Cb 0.52 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 3hf9 n ALA 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hf9 h ARG 26 N 0.00 0.00 -7.18 0.00 9.65 -0.93 -3.37 114.38 112.55 3hf9 h ARG 26 Ca 0.00 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.41 3hf9 h ARG 26 Cb 0.01 0.00 0.06 0.00 -1.39 0.00 0.00 29.97 28.66 3hf9 h ARG 26 CO 0.00 0.50 0.19 0.00 2.80 0.00 0.00 179.97 183.46 3hf9 s ALA 27 N -2.61 3.27 0.52 2.80 0.00 -0.66 -4.82 121.76 120.26 3hf9 s ALA 27 Ca -0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 3hf9 s ALA 27 Cb 0.08 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.54 3hf9 s ALA 27 CO 0.82 -0.98 1.00 0.15 0.00 0.00 0.00 175.76 176.75 3hf9 s LYS 28 N -5.08 3.84 0.47 0.00 1.02 -1.26 -0.91 119.74 117.82 3hf9 s LYS 28 Ca 0.56 1.04 -0.15 0.00 0.02 0.00 0.00 55.97 57.45 3hf9 s LYS 28 Cb -0.11 -2.12 -0.08 0.00 -0.52 0.00 0.00 37.83 35.01 3hf9 s LYS 28 CO 0.45 -0.37 0.90 -1.12 -0.92 0.00 0.00 175.35 174.29 3hf9 s SER 29 N -2.89 6.61 0.03 2.83 0.01 -1.26 -4.44 113.70 114.59 3hf9 s SER 29 Ca 0.60 1.41 0.05 0.00 1.31 0.00 0.00 55.95 59.32 3hf9 s SER 29 Cb -0.11 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3hf9 s SER 29 CO 0.30 -0.50 -0.14 -0.69 0.41 0.00 0.00 173.24 172.63 3hf9 s VAL 30 N -2.50 1.07 -0.06 3.43 1.01 0.22 -2.44 120.40 121.13 3hf9 s VAL 30 Ca 0.56 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3hf9 s VAL 30 Cb -0.10 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 3hf9 s VAL 30 CO 0.30 0.04 -0.19 -0.69 0.00 0.00 0.00 175.10 174.56 3hf9 s VAL 31 N -0.77 1.64 -0.11 2.92 1.01 -0.07 -0.52 120.40 124.50 3hf9 s VAL 31 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3hf9 s VAL 31 Cb -0.07 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3hf9 s VAL 31 CO 0.01 0.47 -0.20 0.00 0.00 0.00 0.00 175.10 175.38 3hf9 s ALA 32 N 0.21 1.97 0.05 5.51 0.00 0.22 -2.12 121.76 127.59 3hf9 s ALA 32 Ca -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3hf9 s ALA 32 Cb -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3hf9 s ALA 32 CO 0.04 0.07 0.03 -0.48 0.00 0.00 0.00 175.76 175.43 3hf9 s LEU 33 N 0.69 2.14 -0.15 0.00 2.34 -1.11 0.22 118.68 122.81 3hf9 s LEU 33 Ca -0.12 -0.76 -0.05 0.00 0.06 0.00 0.00 54.13 53.26 3hf9 s LEU 33 Cb -0.16 0.40 -0.04 0.00 -0.56 0.00 0.00 46.19 45.83 3hf9 s LEU 33 CO 0.02 -0.55 0.03 0.00 -1.06 0.00 0.00 176.35 174.79 3hf9 s ALA 34 N -3.20 3.32 0.26 1.48 0.00 0.48 -1.05 121.76 123.04 3hf9 s ALA 34 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3hf9 s ALA 34 Cb 0.03 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3hf9 s ALA 34 CO -0.07 0.32 0.03 1.52 0.00 0.00 0.00 175.76 177.55 3hf9 s TYR 35 N -0.03 1.64 0.28 0.00 -0.85 -1.03 -4.33 117.35 113.02 3hf9 s TYR 35 Ca 0.05 -0.98 -0.03 0.00 -0.52 0.00 0.00 57.07 55.59 3hf9 s TYR 35 Cb -0.12 -0.98 0.38 0.00 0.38 0.00 0.00 41.96 41.62 3hf9 s TYR 35 CO 0.01 -0.08 1.94 0.00 -1.52 0.00 0.00 175.55 175.90 3hf9 h ALA 36 N 2.38 1.38 -0.80 9.51 0.00 -1.72 -1.55 119.26 128.46 3hf9 h ALA 36 Ca -0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3hf9 h ALA 36 Cb 1.23 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hf9 h ALA 36 CO 0.65 0.55 0.34 0.78 0.00 0.00 0.00 179.25 181.57 3hf9 h GLY 37 N 1.21 1.27 0.00 0.00 0.00 -1.92 -3.48 103.07 100.15 3hf9 h GLY 37 Ca 0.35 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3hf9 h GLY 37 CO -0.09 0.64 0.00 0.61 0.00 0.00 0.00 176.54 177.69 3hf9 n GLY 38 N -0.92 -1.04 3.77 4.60 0.00 -0.58 -2.61 105.19 108.41 3hf9 n GLY 38 Ca 0.07 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3hf9 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hf9 s VAL 39 N -1.95 2.64 -0.09 1.61 1.01 -1.09 -2.48 120.40 120.05 3hf9 s VAL 39 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.61 3hf9 s VAL 39 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3hf9 s VAL 39 CO 0.00 0.10 -0.22 -0.22 0.00 0.00 0.00 175.10 174.76 3hf9 s LEU 40 N -2.28 2.22 -0.17 3.92 2.96 -0.22 -0.45 118.68 124.66 3hf9 s LEU 40 Ca 0.55 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3hf9 s LEU 40 Cb -0.38 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3hf9 s LEU 40 CO 0.50 0.20 -0.06 -0.36 -1.32 0.00 0.00 176.35 175.31 3hf9 s PHE 41 N 0.09 2.95 -0.06 5.38 0.08 0.16 -2.73 117.98 123.86 3hf9 s PHE 41 Ca -0.10 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.34 3hf9 s PHE 41 Cb -0.16 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3hf9 s PHE 41 CO 0.06 -0.27 -0.04 0.08 -0.10 0.00 0.00 175.22 174.95 3hf9 s VAL 42 N 0.78 0.55 0.01 -0.44 1.01 -0.90 -1.70 120.40 119.71 3hf9 s VAL 42 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3hf9 s VAL 42 Cb -0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3hf9 s VAL 42 CO 0.02 0.25 -0.05 0.00 0.00 0.00 0.00 175.10 175.31 3hf9 s ALA 43 N 1.22 0.41 -0.26 5.51 0.00 -0.39 -0.89 121.76 127.35 3hf9 s ALA 43 Ca -0.06 -0.32 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 3hf9 s ALA 43 Cb -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3hf9 s ALA 43 CO -0.02 0.06 0.96 -1.83 0.00 0.00 0.00 175.76 174.93 3hf9 s GLU 44 N -0.45 4.17 -0.29 0.00 -1.05 -1.02 -0.84 118.70 119.21 3hf9 s GLU 44 Ca -0.01 1.10 0.02 0.00 -0.15 0.00 0.00 54.97 55.93 3hf9 s GLU 44 Cb -0.04 -3.67 0.18 0.00 -0.44 0.00 0.00 34.13 30.17 3hf9 s GLU 44 CO -0.00 -0.66 0.54 1.21 0.95 0.00 0.00 175.26 177.30 3hf9 s ASN 45 N 1.37 -1.00 0.05 0.83 2.47 0.43 -4.64 114.94 114.45 3hf9 s ASN 45 Ca 0.40 0.31 -0.33 0.00 0.42 0.00 0.00 52.86 53.67 3hf9 s ASN 45 Cb -0.14 1.81 -0.19 0.00 -1.45 0.00 0.00 41.25 41.28 3hf9 s ASN 45 CO 0.09 -0.30 1.46 -0.65 -3.72 0.00 0.00 177.10 173.98 3hf9 h PRO 46 N 8.05 -1.00 -6.13 0.43 0.11 -1.87 -3.31 132.00 128.27 3hf9 h PRO 46 Ca -0.11 0.07 -0.71 0.00 0.11 0.00 0.00 66.00 65.35 3hf9 h PRO 46 Cb 1.16 0.23 0.07 0.00 0.11 0.00 0.00 31.00 32.57 3hf9 h PRO 46 CO 0.22 -0.65 0.08 0.45 -0.21 0.00 0.00 178.00 177.89 3hf9 n SER 47 N -5.51 0.42 0.20 -2.05 2.88 -1.26 -4.86 113.62 103.43 3hf9 n SER 47 Ca -0.14 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 3hf9 n SER 47 Cb 0.42 -1.05 0.22 0.00 -0.75 0.00 0.00 64.21 63.05 3hf9 n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3hf9 h ARG 48 N 3.00 0.00 0.00 -1.46 0.11 -1.96 -3.40 114.38 110.68 3hf9 h ARG 48 Ca -0.44 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.57 3hf9 h ARG 48 Cb 1.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.46 3hf9 h ARG 48 CO 0.67 0.00 -1.30 -1.13 0.10 0.00 0.00 179.97 178.31 3hf9 n SER 49 N -2.92 3.84 -4.53 0.08 3.41 -1.26 -4.96 113.62 107.28 3hf9 n SER 49 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 3hf9 n SER 49 Cb 0.51 0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 65.13 3hf9 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 50 N -4.07 3.61 -0.08 1.04 1.43 -1.26 -5.08 118.68 114.27 3hf9 s LEU 50 Ca -0.02 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3hf9 s LEU 50 Cb 0.02 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3hf9 s LEU 50 CO 0.20 0.05 -0.07 -1.10 0.23 0.00 0.00 176.35 175.65 3hf9 s GLN 51 N 1.12 2.88 0.01 1.70 -0.21 -1.26 -4.85 119.66 119.05 3hf9 s GLN 51 Ca 0.04 -0.56 0.22 0.00 0.02 0.00 0.00 55.36 55.08 3hf9 s GLN 51 Cb -0.14 -2.62 -0.18 0.00 1.00 0.00 0.00 33.01 31.07 3hf9 s GLN 51 CO 0.03 0.58 0.81 1.63 -2.12 0.00 0.00 175.29 176.22 3hf9 n LYS 52 N 2.47 0.29 -4.34 2.91 5.02 -1.26 -4.93 118.16 118.31 3hf9 n LYS 52 Ca -0.18 -0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 55.82 3hf9 n LYS 52 Cb 0.53 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 3hf9 n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hf9 s ILE 53 N -3.22 1.90 -0.15 -0.18 1.01 -1.26 -1.38 121.20 117.92 3hf9 s ILE 53 Ca 0.02 -1.90 -0.31 0.00 0.00 0.00 0.00 60.65 58.46 3hf9 s ILE 53 Cb 0.15 -1.86 0.13 0.00 0.01 0.00 0.00 42.46 40.89 3hf9 s ILE 53 CO 0.86 -0.25 1.07 -0.55 0.00 0.00 0.00 174.94 176.07 3hf9 s SER 54 N -2.58 -0.27 0.56 3.58 0.15 -0.49 -5.01 113.70 109.64 3hf9 s SER 54 Ca 0.16 0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.82 3hf9 s SER 54 Cb -0.07 0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.43 3hf9 s SER 54 CO 0.07 -0.33 1.02 -0.70 1.20 0.00 0.00 173.24 174.49 3hf9 s GLU 55 N -1.84 3.66 0.00 5.44 2.12 -1.26 -1.31 118.70 125.52 3hf9 s GLU 55 Ca 0.04 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.39 3hf9 s GLU 55 Cb -0.01 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.29 3hf9 s GLU 55 CO -0.03 -0.52 0.00 1.28 -0.54 0.00 0.00 175.26 175.45 3hf9 n LEU 56 N -1.91 1.30 0.00 2.70 4.77 -0.95 -4.77 117.00 118.13 3hf9 n LEU 56 Ca 0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 3hf9 n LEU 56 Cb 0.54 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3hf9 n LEU 56 CO 0.48 0.18 0.05 0.00 -1.33 0.00 0.00 177.39 176.77 3hf9 n TYR 57 N -2.64 -0.73 0.02 -1.77 9.36 -1.14 -4.71 117.16 115.54 3hf9 n TYR 57 Ca 0.00 -0.48 -0.03 0.00 3.32 0.00 0.00 57.90 60.71 3hf9 n TYR 57 Cb 0.43 0.13 -0.02 0.00 -0.63 0.00 0.00 39.34 39.25 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hf9 h ASP 58 N 0.41 -0.33 -0.42 2.98 3.32 -1.97 -3.22 116.42 117.20 3hf9 h ASP 58 Ca -0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hf9 h ASP 58 Cb 0.25 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hf9 h ASP 58 CO 0.08 -0.11 0.00 0.54 -1.72 0.00 0.00 179.24 178.03 3hf9 n ARG 59 N -3.08 2.39 -4.64 3.56 5.12 -1.26 -1.47 116.66 117.27 3hf9 n ARG 59 Ca -0.02 -2.11 -0.32 0.00 -1.93 0.00 0.00 57.85 53.47 3hf9 n ARG 59 Cb 0.08 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 29.77 3hf9 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hf9 s VAL 60 N -1.45 3.38 0.27 1.55 0.11 -1.22 -1.99 120.40 121.06 3hf9 s VAL 60 Ca 0.39 -0.76 0.12 0.00 -2.93 0.00 0.00 61.98 58.79 3hf9 s VAL 60 Cb 0.22 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.61 3hf9 s VAL 60 CO 0.30 0.48 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.56 3hf9 s GLY 61 N -1.12 1.84 -0.03 6.54 0.00 0.52 -2.23 107.32 112.85 3hf9 s GLY 61 Ca 0.14 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.04 3hf9 s GLY 61 CO 0.04 -1.91 -0.01 -0.12 0.00 0.00 0.00 173.10 171.10 3hf9 s PHE 62 N -2.45 0.37 -0.00 1.90 2.19 -0.42 -1.25 117.98 118.31 3hf9 s PHE 62 Ca 0.30 -0.03 0.01 0.00 0.33 0.00 0.00 56.93 57.54 3hf9 s PHE 62 Cb -0.05 -0.42 -0.00 0.00 -1.31 0.00 0.00 43.02 41.24 3hf9 s PHE 62 CO 0.16 -0.12 -0.04 0.00 1.83 0.00 0.00 175.22 177.05 3hf9 s ALA 63 N 0.87 0.30 0.16 11.12 0.00 -0.53 -1.40 121.76 132.29 3hf9 s ALA 63 Ca -0.09 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.74 3hf9 s ALA 63 Cb -0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 3hf9 s ALA 63 CO -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 175.76 175.75 3hf9 s ALA 64 N -0.10 1.47 0.03 0.00 0.00 -0.48 -0.05 121.76 122.63 3hf9 s ALA 64 Ca 0.01 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.45 3hf9 s ALA 64 Cb -0.02 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3hf9 s ALA 64 CO -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 175.76 175.52 3hf9 s ALA 65 N -3.41 0.52 0.00 0.00 0.00 -0.73 -4.84 121.76 113.30 3hf9 s ALA 65 Ca 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3hf9 s ALA 65 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3hf9 s ALA 65 CO 0.02 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3hf9 n GLY 66 N 1.69 0.71 3.67 0.00 0.00 -1.26 -2.12 105.19 107.87 3hf9 n GLY 66 Ca -0.21 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -0.89 4.21 0.04 1.61 2.20 -0.73 -4.93 119.74 121.25 3hf9 s LYS 67 Ca 0.00 2.08 -0.12 0.00 -0.36 0.00 0.00 55.97 57.57 3hf9 s LYS 67 Cb 0.00 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 3hf9 s LYS 67 CO 0.00 -0.76 1.20 0.35 -0.36 0.00 0.00 175.35 175.78 3hf9 h PHE 68 N 8.88 -0.57 -0.77 4.03 3.57 -1.96 -2.42 116.94 127.70 3hf9 h PHE 68 Ca -0.37 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.37 3hf9 h PHE 68 Cb 1.17 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 3hf9 h PHE 68 CO 0.84 -0.21 0.79 -2.95 -2.23 0.00 0.00 178.31 174.55 3hf9 h ASN 69 N -0.24 0.00 0.14 0.41 -1.07 -1.98 0.30 115.58 113.14 3hf9 h ASN 69 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 3hf9 h ASN 69 Cb 0.26 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.52 3hf9 h ASN 69 CO -0.13 0.00 -1.16 -0.33 0.07 0.00 0.00 177.43 175.88 3hf9 h GLU 70 N 0.00 0.30 0.00 4.14 5.08 -1.84 -3.09 114.58 119.17 3hf9 h GLU 70 Ca 0.36 -0.52 -0.19 0.00 -1.00 0.00 0.00 59.36 58.01 3hf9 h GLU 70 Cb 1.95 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 31.36 3hf9 h GLU 70 CO -0.00 1.25 -1.27 0.27 -1.00 0.00 0.00 179.01 178.26 3hf9 h PHE 71 N -0.28 0.00 0.30 4.33 -5.15 -0.55 -2.72 116.94 112.87 3hf9 h PHE 71 Ca -0.23 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.53 3hf9 h PHE 71 Cb 1.76 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.93 3hf9 h PHE 71 CO 0.16 0.74 -0.14 0.22 -2.00 0.00 0.00 178.31 177.28 3hf9 h ASP 72 N 0.00 -0.34 -0.03 -0.68 3.58 -0.70 0.54 116.42 118.79 3hf9 h ASP 72 Ca -0.14 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.23 3hf9 h ASP 72 Cb 1.69 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.82 3hf9 h ASP 72 CO 0.07 -0.13 -0.02 -3.20 -2.88 0.00 0.00 179.24 173.08 3hf9 n ASN 73 N -5.20 -0.03 -0.28 2.28 5.15 -1.17 -1.00 115.26 115.00 3hf9 n ASN 73 Ca -0.10 0.95 0.07 0.00 -0.60 0.00 0.00 54.58 54.90 3hf9 n ASN 73 Cb 0.22 -0.45 0.15 0.00 -0.53 0.00 0.00 39.78 39.17 3hf9 n ASN 73 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hf9 n LEU 74 N -3.00 -0.23 -0.22 1.20 4.77 -1.03 0.21 117.00 118.71 3hf9 n LEU 74 Ca 0.00 1.36 -0.01 0.00 -0.03 0.00 0.00 56.01 57.33 3hf9 n LEU 74 Cb 0.01 -0.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.77 3hf9 n LEU 74 CO -0.01 -1.33 1.06 -0.09 -1.33 0.00 0.00 177.39 175.69 3hf9 h ARG 75 N 0.00 0.57 -0.38 3.23 2.43 0.88 0.22 114.38 121.33 3hf9 h ARG 75 Ca 0.41 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3hf9 h ARG 75 Cb 0.70 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3hf9 h ARG 75 CO -0.80 0.38 0.07 0.00 -1.51 0.00 0.00 179.97 178.11 3hf9 h ARG 76 N 0.59 0.63 -0.74 0.20 3.08 0.11 -0.15 114.38 118.09 3hf9 h ARG 76 Ca 0.30 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3hf9 h ARG 76 Cb 0.27 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3hf9 h ARG 76 CO -0.23 0.68 0.44 0.78 -1.07 0.00 0.00 179.97 180.58 3hf9 h GLY 77 N 0.48 1.08 1.02 0.04 0.00 -0.80 0.21 103.07 105.11 3hf9 h GLY 77 Ca 0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3hf9 h GLY 77 CO 0.01 0.44 0.18 -1.33 0.00 0.00 0.00 176.54 175.83 3hf9 h GLY 78 N 1.02 1.06 1.03 4.60 0.00 -0.73 -0.67 103.07 109.38 3hf9 h GLY 78 Ca 0.27 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3hf9 h GLY 78 CO -0.05 0.60 0.30 -2.22 0.00 0.00 0.00 176.54 175.18 3hf9 h ILE 79 N 0.91 1.25 -0.47 2.60 2.04 -0.31 -0.96 117.51 122.58 3hf9 h ILE 79 Ca 0.20 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3hf9 h ILE 79 Cb 0.32 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3hf9 h ILE 79 CO -0.00 0.32 0.20 1.56 0.00 0.00 0.00 178.15 180.22 3hf9 h GLN 80 N 1.06 0.69 -0.60 2.37 1.08 -0.20 -2.35 115.11 117.17 3hf9 h GLN 80 Ca 0.25 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 3hf9 h GLN 80 Cb 0.20 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3hf9 h GLN 80 CO -0.02 0.61 0.22 0.35 -0.95 0.00 0.00 178.83 179.04 3hf9 h PHE 81 N 0.61 0.92 -0.48 2.96 3.57 -0.80 -2.45 116.94 121.28 3hf9 h PHE 81 Ca 0.16 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3hf9 h PHE 81 Cb 0.17 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3hf9 h PHE 81 CO -0.00 0.74 0.17 0.00 -2.23 0.00 0.00 178.31 176.99 3hf9 h ALA 82 N 1.08 0.62 -0.67 2.41 0.00 -1.05 -1.06 119.26 120.59 3hf9 h ALA 82 Ca 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 82 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hf9 h ALA 82 CO -0.01 0.26 0.24 -0.44 0.00 0.00 0.00 179.25 179.29 3hf9 h ASP 83 N 0.64 0.95 -0.13 0.00 3.32 -1.36 -0.51 116.42 119.33 3hf9 h ASP 83 Ca 0.16 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3hf9 h ASP 83 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3hf9 h ASP 83 CO -0.01 0.89 0.05 0.74 -1.72 0.00 0.00 179.24 179.19 3hf9 h THR 84 N 0.96 1.16 -0.75 0.35 2.02 -1.26 -1.11 112.91 114.28 3hf9 h THR 84 Ca 0.22 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3hf9 h THR 84 Cb 0.25 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3hf9 h THR 84 CO -0.01 0.14 0.40 0.03 0.37 0.00 0.00 175.52 176.45 3hf9 h ARG 85 N 0.04 1.06 -0.52 6.66 2.47 -1.06 -0.19 114.38 122.83 3hf9 h ARG 85 Ca 0.04 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 3hf9 h ARG 85 Cb 0.18 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3hf9 h ARG 85 CO -0.00 0.80 0.18 0.78 0.56 0.00 0.00 179.97 182.29 3hf9 h GLY 86 N 1.04 0.86 0.86 0.04 0.00 -0.95 -0.92 103.07 104.01 3hf9 h GLY 86 Ca 0.26 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3hf9 h GLY 86 CO -0.04 0.46 -0.04 -1.82 0.00 0.00 0.00 176.54 175.10 3hf9 h TYR 87 N 0.71 0.55 -0.58 5.60 3.20 -0.82 -3.27 116.97 122.36 3hf9 h TYR 87 Ca 0.17 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3hf9 h TYR 87 Cb 0.24 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3hf9 h TYR 87 CO 0.01 0.68 -0.05 0.00 -1.64 0.00 0.00 178.16 177.17 3hf9 h ALA 88 N 0.79 0.81 -3.74 1.82 0.00 -1.00 -3.46 119.26 114.47 3hf9 h ALA 88 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hf9 h ALA 88 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hf9 h ALA 88 CO 0.02 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.61 3hf9 n TYR 89 N -4.16 0.00 -1.96 0.00 4.01 -0.35 -5.09 117.16 109.60 3hf9 n TYR 89 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 3hf9 n TYR 89 Cb 0.38 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.43 3hf9 n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3hf9 s ASP 90 N -0.58 5.43 0.33 7.72 1.47 -1.26 -4.61 116.67 125.17 3hf9 s ASP 90 Ca 0.00 2.54 0.02 0.00 1.18 0.00 0.00 52.55 56.29 3hf9 s ASP 90 Cb 0.00 -2.62 0.59 0.00 -0.34 0.00 0.00 42.92 40.55 3hf9 s ASP 90 CO 0.00 -1.44 1.93 -0.09 0.68 0.00 0.00 175.17 176.25 3hf9 h ARG 91 N 1.39 0.72 0.00 2.11 2.43 -1.88 -1.32 114.38 117.83 3hf9 h ARG 91 Ca -0.50 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3hf9 h ARG 91 Cb 1.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3hf9 h ARG 91 CO 0.57 0.58 0.00 0.54 -1.51 0.00 0.00 179.97 180.15 3hf9 n ARG 92 N -4.36 0.09 -0.29 0.20 1.74 -1.26 -2.92 116.66 109.86 3hf9 n ARG 92 Ca 0.04 0.39 -0.01 0.00 -0.77 0.00 0.00 57.85 57.50 3hf9 n ARG 92 Cb 0.15 -1.69 0.19 0.00 -1.02 0.00 0.00 32.46 30.08 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 0.00 0.99 -3.40 0.55 3.58 -1.59 -3.42 116.42 113.13 3hf9 h ASP 93 Ca 0.00 -0.03 -0.53 0.00 0.42 0.00 0.00 57.03 56.90 3hf9 h ASP 93 Cb 0.24 -0.25 0.07 0.00 1.72 0.00 0.00 39.33 41.11 3hf9 h ASP 93 CO 0.00 0.72 0.79 -0.69 -2.88 0.00 0.00 179.24 177.18 3hf9 s VAL 94 N -5.97 2.48 0.04 2.25 1.01 -1.15 -4.99 120.40 114.08 3hf9 s VAL 94 Ca -0.12 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 3hf9 s VAL 94 Cb 0.18 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 3hf9 s VAL 94 CO 0.80 0.07 0.15 0.42 0.00 0.00 0.00 175.10 176.54 3hf9 s THR 95 N -0.08 0.12 0.26 3.92 -4.23 -1.26 -5.03 115.64 109.35 3hf9 s THR 95 Ca 0.60 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 3hf9 s THR 95 Cb -0.44 -0.97 0.19 0.00 1.34 0.00 0.00 72.50 72.62 3hf9 s THR 95 CO 0.45 -0.57 1.86 1.23 -0.54 0.00 0.00 174.62 177.05 3hf9 h GLY 96 N 3.44 1.13 1.01 3.99 0.00 -1.95 -0.61 103.07 110.09 3hf9 h GLY 96 Ca -0.33 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3hf9 h GLY 96 CO 0.50 0.53 0.47 -0.09 0.00 0.00 0.00 176.54 177.95 3hf9 h ARG 97 N 1.05 1.09 -0.49 4.80 1.12 -1.96 0.18 114.38 120.18 3hf9 h ARG 97 Ca 0.25 -0.11 -0.04 0.00 -1.11 0.00 0.00 59.98 58.98 3hf9 h ARG 97 Cb 0.13 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 3hf9 h ARG 97 CO -0.03 0.78 0.16 0.37 -3.11 0.00 0.00 179.97 178.14 3hf9 h GLN 98 N 1.10 0.75 -0.58 0.20 4.15 -1.69 -1.03 115.11 118.01 3hf9 h GLN 98 Ca 0.28 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3hf9 h GLN 98 Cb -0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3hf9 h GLN 98 CO -0.05 0.70 0.13 -0.07 -1.93 0.00 0.00 178.83 177.61 3hf9 h LEU 99 N 0.65 0.89 -0.77 -2.39 3.38 -0.55 -1.24 115.31 115.28 3hf9 h LEU 99 Ca 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3hf9 h LEU 99 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hf9 h LEU 99 CO -0.01 0.90 0.30 0.00 0.09 0.00 0.00 178.44 179.72 3hf9 h ALA 100 N 1.02 1.00 -0.90 1.53 0.00 -0.51 0.62 119.26 122.02 3hf9 h ALA 100 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 100 Cb 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3hf9 h ALA 100 CO 0.00 0.64 0.50 -0.97 0.00 0.00 0.00 179.25 179.42 3hf9 h ASN 101 N 1.12 1.13 -0.42 0.00 -0.73 -0.89 0.12 115.58 115.90 3hf9 h ASN 101 Ca 0.26 -0.10 -0.09 0.00 1.87 0.00 0.00 56.30 58.23 3hf9 h ASN 101 Cb 0.23 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 3hf9 h ASN 101 CO -0.02 0.90 -0.10 0.58 -0.37 0.00 0.00 177.43 178.42 3hf9 h VAL 102 N 1.26 1.27 -0.38 2.57 2.07 -0.29 -2.51 116.25 120.24 3hf9 h VAL 102 Ca 0.32 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 3hf9 h VAL 102 Cb 0.02 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3hf9 h VAL 102 CO -0.05 0.41 -0.08 1.88 0.02 0.00 0.00 177.57 179.75 3hf9 h TYR 103 N 0.64 0.82 -0.21 1.57 0.05 -0.55 -2.07 116.97 117.22 3hf9 h TYR 103 Ca 0.11 -0.17 0.06 0.00 0.05 0.00 0.00 58.73 58.77 3hf9 h TYR 103 Cb 0.64 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 38.11 3hf9 h TYR 103 CO 0.05 0.87 -0.24 0.00 -1.05 0.00 0.00 178.16 177.79 3hf9 h ALA 104 N 0.84 -0.15 -0.14 3.88 0.00 -0.98 0.18 119.26 122.89 3hf9 h ALA 104 Ca 0.10 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hf9 h ALA 104 Cb 0.59 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3hf9 h ALA 104 CO 0.04 -0.67 -0.25 1.96 0.00 0.00 0.00 179.25 180.32 3hf9 h GLN 105 N -0.26 -0.30 -0.42 0.00 1.08 -1.25 -0.08 115.11 113.87 3hf9 h GLN 105 Ca 0.13 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 3hf9 h GLN 105 Cb 0.45 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3hf9 h GLN 105 CO -0.36 -0.20 0.27 1.15 -0.95 0.00 0.00 178.83 178.74 3hf9 h THR 106 N -0.31 1.09 -0.35 -0.54 2.02 -0.84 -0.36 112.91 113.62 3hf9 h THR 106 Ca 0.10 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 3hf9 h THR 106 Cb 0.47 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3hf9 h THR 106 CO -0.32 0.10 -0.32 -0.07 0.37 0.00 0.00 175.52 175.28 3hf9 h LEU 107 N 0.56 0.89 -1.45 2.58 3.38 -0.82 -1.98 115.31 118.46 3hf9 h LEU 107 Ca 0.16 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3hf9 h LEU 107 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3hf9 h LEU 107 CO -0.04 1.16 0.04 1.23 0.09 0.00 0.00 178.44 180.92 3hf9 h GLY 108 N 0.62 0.42 0.28 0.83 0.00 -0.52 0.14 103.07 104.85 3hf9 h GLY 108 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3hf9 h GLY 108 CO 0.08 0.20 -0.14 -0.84 0.00 0.00 0.00 176.54 175.85 3hf9 h THR 109 N 0.39 0.00 -0.88 4.70 2.02 -0.99 -3.06 112.91 115.09 3hf9 h THR 109 Ca 0.09 -0.19 0.09 0.00 0.77 0.00 0.00 66.41 67.17 3hf9 h THR 109 Cb 0.20 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.50 3hf9 h THR 109 CO 0.00 0.00 -0.50 -0.38 0.37 0.00 0.00 175.52 175.01 3hf9 n ILE 110 N -3.55 -0.58 0.08 3.11 5.41 -0.75 0.17 119.36 123.24 3hf9 n ILE 110 Ca -0.05 2.13 0.05 0.00 1.00 0.00 0.00 62.75 65.88 3hf9 n ILE 110 Cb 0.15 -2.65 0.26 0.00 -0.71 0.00 0.00 39.64 36.69 3hf9 n ILE 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 3hf9 n PHE 111 N -5.13 0.32 -0.01 1.39 7.35 0.47 -2.02 117.46 119.84 3hf9 n PHE 111 Ca 0.03 0.17 -0.04 0.00 -0.76 0.00 0.00 57.45 56.85 3hf9 n PHE 111 Cb 0.24 -0.71 -0.01 0.00 0.35 0.00 0.00 39.48 39.35 3hf9 n PHE 111 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3hf9 n THR 112 N -1.82 1.34 -1.25 -2.13 -1.04 0.54 -4.80 114.28 105.13 3hf9 n THR 112 Ca -0.01 0.29 -0.24 0.00 -2.04 0.00 0.00 64.05 62.06 3hf9 n THR 112 Cb 0.09 -1.90 0.18 0.00 -1.82 0.00 0.00 70.33 66.87 3hf9 n THR 112 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3hf9 n GLU 113 N -3.89 2.25 -3.98 -2.82 2.13 0.13 -4.94 120.64 109.53 3hf9 n GLU 113 Ca -0.06 -3.04 -0.10 0.00 0.66 0.00 0.00 57.16 54.63 3hf9 n GLU 113 Cb 0.22 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 29.69 3hf9 n GLU 113 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3hf9 s GLN 114 N -3.33 1.21 0.11 5.31 0.74 -0.86 -4.90 119.66 117.95 3hf9 s GLN 114 Ca 0.57 -1.21 -0.29 0.00 0.05 0.00 0.00 55.36 54.48 3hf9 s GLN 114 Cb 0.48 0.38 -0.09 0.00 1.10 0.00 0.00 33.01 34.88 3hf9 s GLN 114 CO 0.10 -0.45 1.61 0.00 -0.55 0.00 0.00 175.29 176.00 3hf9 h ALA 115 N 2.51 -0.59 -3.79 1.58 0.00 -1.92 -3.43 119.26 113.62 3hf9 h ALA 115 Ca -0.31 -0.06 -0.49 0.00 0.00 0.00 0.00 54.91 54.05 3hf9 h ALA 115 Cb 1.23 0.55 -0.31 0.00 0.00 0.00 0.00 17.79 19.26 3hf9 h ALA 115 CO 0.47 -0.89 -0.81 0.21 0.00 0.00 0.00 179.25 178.23 3hf9 s LYS 116 N -6.00 1.36 0.47 0.00 2.20 -1.26 -5.12 119.74 111.39 3hf9 s LYS 116 Ca -0.16 -0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 54.80 3hf9 s LYS 116 Cb 0.08 -1.20 -0.07 0.00 -1.51 0.00 0.00 37.83 35.12 3hf9 s LYS 116 CO 0.64 0.14 1.16 -2.14 -0.36 0.00 0.00 175.35 174.79 3hf9 s PRO 117 N 0.22 3.71 0.04 4.03 0.02 -1.26 -4.78 135.00 136.98 3hf9 s PRO 117 Ca -0.05 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 3hf9 s PRO 117 Cb -0.11 -2.36 -0.07 0.00 0.02 0.00 0.00 34.50 31.98 3hf9 s PRO 117 CO 0.01 -0.58 1.64 0.71 -0.33 0.00 0.00 177.00 178.45 3hf9 s TYR 118 N -1.58 2.34 -1.26 6.54 1.51 -1.26 -4.89 117.35 118.75 3hf9 s TYR 118 Ca 0.65 0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 56.86 3hf9 s TYR 118 Cb -0.28 -3.93 -0.01 0.00 -0.11 0.00 0.00 41.96 37.63 3hf9 s TYR 118 CO 0.33 -3.76 2.09 0.39 -1.11 0.00 0.00 175.55 173.49 3hf9 n GLU 119 N 5.95 2.51 -4.02 -0.62 1.02 -1.26 -4.72 120.64 119.50 3hf9 n GLU 119 Ca 0.16 -2.49 -0.08 0.00 -0.02 0.00 0.00 57.16 54.72 3hf9 n GLU 119 Cb 0.41 -3.24 -0.09 0.00 -0.02 0.00 0.00 31.44 28.50 3hf9 n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hf9 s VAL 120 N 4.08 0.15 -0.12 2.62 -7.23 -1.26 -1.77 120.40 116.87 3hf9 s VAL 120 Ca 0.51 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3hf9 s VAL 120 Cb 0.12 -1.61 0.06 0.00 0.56 0.00 0.00 36.38 35.51 3hf9 s VAL 120 CO -0.01 -0.70 0.22 -0.70 -0.31 0.00 0.00 175.10 173.59 3hf9 s GLU 121 N -3.93 0.10 0.14 4.82 2.12 -0.90 -3.17 118.70 117.88 3hf9 s GLU 121 Ca 0.11 0.62 0.03 0.00 0.36 0.00 0.00 54.97 56.10 3hf9 s GLU 121 Cb 0.06 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 3hf9 s GLU 121 CO -0.07 -0.33 0.19 -0.51 -0.54 0.00 0.00 175.26 174.00 3hf9 s LEU 122 N 2.36 4.05 -0.12 2.70 1.02 -0.48 -1.77 118.68 126.45 3hf9 s LEU 122 Ca 0.03 0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.19 3hf9 s LEU 122 Cb -0.12 -2.66 0.04 0.00 0.02 0.00 0.00 46.19 43.47 3hf9 s LEU 122 CO -0.08 0.08 0.02 0.00 0.02 0.00 0.00 176.35 176.40 3hf9 s VAL 124 N 1.97 5.22 0.04 0.00 1.01 -0.44 -1.45 120.40 126.75 3hf9 s VAL 124 Ca 0.03 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3hf9 s VAL 124 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3hf9 s VAL 124 CO -0.06 0.36 -0.24 0.00 0.00 0.00 0.00 175.10 175.15 3hf9 s ALA 125 N 1.04 2.34 0.27 5.51 0.00 -0.38 -0.85 121.76 129.69 3hf9 s ALA 125 Ca 0.07 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.89 3hf9 s ALA 125 Cb -0.14 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3hf9 s ALA 125 CO 0.04 0.54 -0.16 -2.00 0.00 0.00 0.00 175.76 174.18 3hf9 s GLU 126 N -1.24 1.61 0.04 0.00 2.12 -0.66 -0.35 118.70 120.21 3hf9 s GLU 126 Ca 0.12 -1.75 0.01 0.00 0.36 0.00 0.00 54.97 53.71 3hf9 s GLU 126 Cb -0.10 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.70 3hf9 s GLU 126 CO 0.03 0.25 -0.05 0.08 -0.54 0.00 0.00 175.26 175.03 3hf9 s VAL 127 N -2.67 0.31 0.58 3.70 1.01 -0.84 -2.89 120.40 119.59 3hf9 s VAL 127 Ca 0.28 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 3hf9 s VAL 127 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3hf9 s VAL 127 CO 0.13 -0.61 1.28 0.00 0.00 0.00 0.00 175.10 175.89 3hf9 s ALA 128 N -2.18 2.65 0.80 5.51 0.00 -1.26 -4.87 121.76 122.40 3hf9 s ALA 128 Ca -0.07 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 3hf9 s ALA 128 Cb -0.05 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.64 3hf9 s ALA 128 CO -0.03 -1.29 1.11 -1.01 0.00 0.00 0.00 175.76 174.54 3hf9 s HIS 129 N -1.43 2.30 0.20 0.00 3.76 -1.26 -4.83 115.29 114.03 3hf9 s HIS 129 Ca 0.75 1.62 -0.22 0.00 -0.15 0.00 0.00 55.06 57.07 3hf9 s HIS 129 Cb -0.36 -3.15 0.14 0.00 1.11 0.00 0.00 32.58 30.32 3hf9 s HIS 129 CO 0.40 -2.10 1.56 -0.92 -0.85 0.00 0.00 174.74 172.83 3hf9 h TYR 130 N -1.25 -1.26 0.00 1.40 3.20 -1.79 -1.77 116.97 115.50 3hf9 h TYR 130 Ca -0.44 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3hf9 h TYR 130 Cb 1.24 0.68 0.00 0.00 1.54 0.00 0.00 36.73 40.19 3hf9 h TYR 130 CO 0.55 -0.40 0.00 0.41 -1.64 0.00 0.00 178.16 177.08 3hf9 n GLY 131 N -1.42 -1.28 3.48 1.82 0.00 -1.26 -4.91 105.19 101.61 3hf9 n GLY 131 Ca 0.07 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3hf9 n GLY 131 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hf9 n GLU 132 N -1.35 0.81 -3.90 1.61 0.28 -0.67 -5.13 120.64 112.30 3hf9 n GLU 132 Ca 0.11 -3.48 -0.27 0.00 -0.16 0.00 0.00 57.16 53.37 3hf9 n GLU 132 Cb 0.25 0.84 -0.17 0.00 1.43 0.00 0.00 31.44 33.80 3hf9 n GLU 132 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3hf9 s THR 133 N -2.71 1.01 -0.29 3.84 -4.23 -1.26 -4.73 115.64 107.26 3hf9 s THR 133 Ca 0.05 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.09 3hf9 s THR 133 Cb -0.00 -1.06 0.13 0.00 1.34 0.00 0.00 72.50 72.91 3hf9 s THR 133 CO 0.03 0.32 0.86 -0.75 -0.54 0.00 0.00 174.62 174.54 3hf9 s LYS 134 N 1.71 0.46 0.14 3.99 2.20 -1.26 -5.08 119.74 121.89 3hf9 s LYS 134 Ca 0.04 0.94 -0.31 0.00 -0.36 0.00 0.00 55.97 56.28 3hf9 s LYS 134 Cb -0.13 0.32 -0.09 0.00 -1.51 0.00 0.00 37.83 36.42 3hf9 s LYS 134 CO -0.08 -0.12 1.47 1.03 -0.36 0.00 0.00 175.35 177.29 3hf9 s ARG 135 N 1.96 4.27 0.23 4.03 0.52 -1.26 -4.26 118.95 124.45 3hf9 s ARG 135 Ca -0.07 2.20 -0.27 0.00 -0.52 0.00 0.00 55.73 57.06 3hf9 s ARG 135 Cb -0.06 -3.21 -0.16 0.00 0.52 0.00 0.00 34.95 32.04 3hf9 s ARG 135 CO -0.17 -0.51 0.56 -2.30 0.02 0.00 0.00 175.30 172.89 3hf9 n PRO 136 N 3.97 0.21 -4.73 3.54 -0.02 -1.26 -4.92 135.00 131.79 3hf9 n PRO 136 Ca 0.13 0.07 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 3hf9 n PRO 136 Cb 0.41 -1.14 -0.14 0.00 -0.02 0.00 0.00 33.50 32.61 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -1.10 3.28 -0.04 -0.52 2.02 -1.14 -4.96 118.70 116.23 3hf9 s GLU 137 Ca 0.63 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.97 3hf9 s GLU 137 Cb -0.87 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 3hf9 s GLU 137 CO 0.57 0.30 -0.03 -0.51 0.02 0.00 0.00 175.26 175.61 3hf9 s LEU 138 N 0.14 3.36 0.02 1.80 1.43 -1.25 -1.65 118.68 122.53 3hf9 s LEU 138 Ca -0.06 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3hf9 s LEU 138 Cb -0.15 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3hf9 s LEU 138 CO 0.04 0.33 -0.14 -0.31 0.23 0.00 0.00 176.35 176.51 3hf9 s TYR 139 N -0.93 1.26 -0.25 0.29 1.51 -0.03 -3.61 117.35 115.59 3hf9 s TYR 139 Ca 0.15 -0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3hf9 s TYR 139 Cb -0.11 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.04 3hf9 s TYR 139 CO 0.05 0.01 0.02 0.50 -1.11 0.00 0.00 175.55 175.02 3hf9 s ARG 140 N -0.80 1.09 -0.23 -0.62 3.52 -0.14 -1.32 118.95 120.45 3hf9 s ARG 140 Ca 0.03 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.62 3hf9 s ARG 140 Cb -0.07 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 3hf9 s ARG 140 CO 0.01 -0.73 0.18 0.42 -0.81 0.00 0.00 175.30 174.36 3hf9 s ILE 141 N 1.56 5.35 0.49 4.11 1.09 -0.77 -1.94 121.20 131.08 3hf9 s ILE 141 Ca 0.01 0.24 0.06 0.00 -1.10 0.00 0.00 60.65 59.86 3hf9 s ILE 141 Cb -0.18 -3.52 0.04 0.00 -1.06 0.00 0.00 42.46 37.73 3hf9 s ILE 141 CO -0.12 0.35 0.68 0.42 -0.10 0.00 0.00 174.94 176.16 3hf9 s THR 142 N 1.00 2.73 -0.30 2.92 -4.23 -0.26 -1.38 115.64 116.12 3hf9 s THR 142 Ca 0.09 -0.91 0.12 0.00 -1.18 0.00 0.00 61.69 59.81 3hf9 s THR 142 Cb -0.13 -2.82 0.12 0.00 1.34 0.00 0.00 72.50 71.00 3hf9 s THR 142 CO 0.04 0.00 1.29 0.00 -0.54 0.00 0.00 174.62 175.42 3hf9 n TYR 143 N -2.08 0.40 0.89 3.99 4.11 -1.19 -2.03 117.16 121.25 3hf9 n TYR 143 Ca 0.10 0.21 0.10 0.00 -0.00 0.00 0.00 57.90 58.31 3hf9 n TYR 143 Cb 0.60 -0.73 0.05 0.00 -0.00 0.00 0.00 39.34 39.25 3hf9 n TYR 143 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3hf9 n ASP 144 N -1.92 2.36 0.00 9.48 5.68 -1.26 -4.52 116.55 126.37 3hf9 n ASP 144 Ca -0.01 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3hf9 n ASP 144 Cb 0.16 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hf9 n GLY 145 N 1.25 0.82 3.68 6.12 0.00 -0.86 -3.94 105.19 112.25 3hf9 n GLY 145 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3hf9 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hf9 s SER 146 N -2.26 7.11 -0.12 1.61 0.01 -1.25 -4.78 113.70 114.02 3hf9 s SER 146 Ca 0.00 1.36 0.02 0.00 1.31 0.00 0.00 55.95 58.65 3hf9 s SER 146 Cb 0.00 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 3hf9 s SER 146 CO 0.00 -0.40 -0.20 -0.51 0.41 0.00 0.00 173.24 172.54 3hf9 s ILE 147 N 1.94 2.37 0.11 1.44 2.07 -1.26 -1.10 121.20 126.77 3hf9 s ILE 147 Ca 0.44 -0.90 0.04 0.00 -1.41 0.00 0.00 60.65 58.82 3hf9 s ILE 147 Cb -0.18 -1.95 -0.04 0.00 0.13 0.00 0.00 42.46 40.43 3hf9 s ILE 147 CO 0.16 0.54 -0.11 0.00 -1.91 0.00 0.00 174.94 173.62 3hf9 s ALA 148 N 0.48 1.24 -0.55 1.50 0.00 -0.82 -4.99 121.76 118.61 3hf9 s ALA 148 Ca -0.14 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.62 3hf9 s ALA 148 Cb -0.17 0.01 0.18 0.00 0.00 0.00 0.00 23.12 23.14 3hf9 s ALA 148 CO 0.05 -0.02 0.45 -0.40 0.00 0.00 0.00 175.76 175.85 3hf9 n ASP 149 N 0.45 1.29 -4.73 0.00 5.75 -1.26 -0.97 116.55 117.08 3hf9 n ASP 149 Ca -0.15 -2.82 -0.42 0.00 -0.01 0.00 0.00 54.79 51.39 3hf9 n ASP 149 Cb 0.58 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 3hf9 n ASP 149 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hf9 s GLU 150 N -0.85 4.23 0.15 0.11 2.02 -1.24 -4.85 118.70 118.27 3hf9 s GLU 150 Ca 0.31 2.35 -0.12 0.00 0.02 0.00 0.00 54.97 57.52 3hf9 s GLU 150 Cb 0.03 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 31.14 3hf9 s GLU 150 CO -0.17 -0.55 1.59 -1.00 0.02 0.00 0.00 175.26 175.16 3hf9 h PRO 151 N 6.10 0.87 0.00 0.39 0.13 -1.94 -3.32 132.00 134.23 3hf9 h PRO 151 Ca -0.44 -0.29 -0.35 0.00 -0.87 0.00 0.00 66.00 64.06 3hf9 h PRO 151 Cb 1.21 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 3hf9 h PRO 151 CO 0.86 0.92 -2.27 0.72 -0.23 0.00 0.00 178.00 177.99 3hf9 n HIS 152 N -4.32 0.00 -3.77 1.56 8.25 -1.26 -4.70 115.22 110.98 3hf9 n HIS 152 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3hf9 n HIS 152 Cb 0.33 -0.85 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 3hf9 n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hf9 s PHE 153 N -2.44 -0.00 0.02 4.41 -0.12 -1.26 -0.39 117.98 118.21 3hf9 s PHE 153 Ca -0.31 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.25 3hf9 s PHE 153 Cb 0.09 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 3hf9 s PHE 153 CO 0.49 -0.76 -0.08 0.08 -0.05 0.00 0.00 175.22 174.89 3hf9 s VAL 154 N -3.87 0.62 -0.01 -2.49 1.01 0.58 -4.79 120.40 111.46 3hf9 s VAL 154 Ca 0.08 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3hf9 s VAL 154 Cb 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 3hf9 s VAL 154 CO -0.06 -0.09 -0.11 -0.69 0.00 0.00 0.00 175.10 174.15 3hf9 s VAL 155 N -0.76 0.85 0.01 2.92 1.01 -1.26 0.69 120.40 123.87 3hf9 s VAL 155 Ca -0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3hf9 s VAL 155 Cb -0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hf9 s VAL 155 CO 0.00 0.24 -0.02 -0.04 0.00 0.00 0.00 175.10 175.29 3hf9 s MET 156 N -0.25 0.25 0.18 2.72 -1.94 0.32 -4.98 119.30 115.60 3hf9 s MET 156 Ca 0.04 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 3hf9 s MET 156 Cb -0.04 0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.89 3hf9 s MET 156 CO -0.00 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 3hf9 n GLY 157 N 1.91 -2.67 7.00 -0.03 0.00 -1.26 -0.61 105.19 109.53 3hf9 n GLY 157 Ca -0.21 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3hf9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 158 N -2.80 0.98 3.49 -0.02 0.00 0.05 -4.23 105.19 102.67 3hf9 n GLY 158 Ca -0.02 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 3hf9 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 159 N 0.00 4.67 0.03 2.61 -4.23 -1.26 -4.43 115.64 113.03 3hf9 s THR 159 Ca 0.00 -0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 3hf9 s THR 159 Cb 0.00 -4.37 -0.22 0.00 1.34 0.00 0.00 72.50 69.25 3hf9 s THR 159 CO 0.00 -0.88 0.95 0.71 -0.54 0.00 0.00 174.62 174.86 3hf9 h THR 160 N 5.93 1.23 -0.17 3.99 1.35 -1.94 -3.40 112.91 119.90 3hf9 h THR 160 Ca -0.26 -3.02 0.05 0.00 -0.55 0.00 0.00 66.41 62.63 3hf9 h THR 160 Cb 1.09 2.61 -0.06 0.00 -1.73 0.00 0.00 68.15 70.05 3hf9 h THR 160 CO 1.00 0.70 -0.24 -0.33 -0.25 0.00 0.00 175.52 176.40 3hf9 h GLU 161 N 0.00 -0.28 0.00 4.72 3.07 -1.95 -1.16 114.58 118.98 3hf9 h GLU 161 Ca -0.16 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 3hf9 h GLU 161 Cb 1.90 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.86 3hf9 h GLU 161 CO 0.10 -0.18 -0.20 -1.35 -1.40 0.00 0.00 179.01 175.97 3hf9 h PRO 162 N -0.29 0.00 0.17 2.33 0.11 -1.90 -1.90 132.00 130.52 3hf9 h PRO 162 Ca 0.11 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.00 3hf9 h PRO 162 Cb 0.46 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.59 3hf9 h PRO 162 CO -0.34 0.20 -1.01 0.82 -0.21 0.00 0.00 178.00 177.47 3hf9 h ILE 163 N 0.00 1.43 -0.72 4.15 2.04 -1.66 -3.01 117.51 119.73 3hf9 h ILE 163 Ca -0.00 -2.57 0.02 0.00 1.00 0.00 0.00 64.86 63.31 3hf9 h ILE 163 Cb 0.42 3.14 -0.04 0.00 -0.74 0.00 0.00 36.82 39.60 3hf9 h ILE 163 CO 0.03 0.74 0.48 0.00 0.00 0.00 0.00 178.15 179.39 3hf9 h ALA 164 N 0.09 1.52 -0.29 1.87 0.00 -1.01 -1.18 119.26 120.26 3hf9 h ALA 164 Ca -0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3hf9 h ALA 164 Cb 1.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3hf9 h ALA 164 CO 0.17 0.43 0.06 -0.91 0.00 0.00 0.00 179.25 179.01 3hf9 h ASN 165 N 0.95 0.46 0.23 0.00 2.35 -1.43 -1.19 115.58 116.94 3hf9 h ASN 165 Ca 0.27 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3hf9 h ASN 165 Cb -0.06 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3hf9 h ASN 165 CO -0.07 0.58 -0.13 0.00 -1.65 0.00 0.00 177.43 176.17 3hf9 h ALA 166 N 0.89 -0.33 -0.16 -0.83 0.00 -1.26 -2.41 119.26 115.16 3hf9 h ALA 166 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 166 Cb 0.32 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3hf9 h ALA 166 CO 0.00 -0.69 -0.46 -0.07 0.00 0.00 0.00 179.25 178.03 3hf9 h LEU 167 N -0.34 -1.48 -0.48 0.00 3.38 -1.26 0.10 115.31 115.23 3hf9 h LEU 167 Ca -0.03 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3hf9 h LEU 167 Cb 0.27 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 3hf9 h LEU 167 CO 0.04 -0.40 -0.28 0.29 0.09 0.00 0.00 178.44 178.18 3hf9 n LYS 168 N -4.97 -0.21 0.00 1.13 5.02 -0.45 -0.73 118.16 117.95 3hf9 n LYS 168 Ca -0.05 0.88 0.13 0.00 -2.02 0.00 0.00 58.31 57.25 3hf9 n LYS 168 Cb 0.31 -1.29 0.44 0.00 -0.02 0.00 0.00 35.03 34.47 3hf9 n LYS 168 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3hf9 n GLU 169 N -4.25 0.47 -0.11 1.97 0.28 -0.93 -3.66 120.64 114.40 3hf9 n GLU 169 Ca 0.01 -0.22 0.10 0.00 -0.16 0.00 0.00 57.16 56.89 3hf9 n GLU 169 Cb 0.12 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.65 3hf9 n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hf9 n SER 170 N -1.08 2.46 -4.01 -1.84 3.41 0.01 -4.98 113.62 107.60 3hf9 n SER 170 Ca 0.10 -3.10 -0.31 0.00 -0.26 0.00 0.00 58.87 55.30 3hf9 n SER 170 Cb 0.32 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 3hf9 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hf9 s TYR 171 N -2.88 2.89 0.06 7.33 5.04 0.10 -4.92 117.35 124.96 3hf9 s TYR 171 Ca 0.33 -2.10 0.02 0.00 -2.44 0.00 0.00 57.07 52.88 3hf9 s TYR 171 Cb 0.29 -1.82 -0.04 0.00 0.35 0.00 0.00 41.96 40.74 3hf9 s TYR 171 CO 0.03 -0.84 0.10 0.00 -1.34 0.00 0.00 175.55 173.50 3hf9 s ALA 172 N 1.23 3.63 0.84 3.97 0.00 -1.26 -4.95 121.76 125.22 3hf9 s ALA 172 Ca -0.07 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 3hf9 s ALA 172 Cb -0.19 -1.52 0.13 0.00 0.00 0.00 0.00 23.12 21.54 3hf9 s ALA 172 CO -0.06 0.75 1.19 -1.83 0.00 0.00 0.00 175.76 175.81 3hf9 s GLU 173 N -2.29 1.48 -1.14 0.00 -1.05 -1.26 -4.16 118.70 110.29 3hf9 s GLU 173 Ca 0.29 -0.26 -0.06 0.00 -0.15 0.00 0.00 54.97 54.79 3hf9 s GLU 173 Cb -0.12 -1.98 0.05 0.00 -0.44 0.00 0.00 34.13 31.63 3hf9 s GLU 173 CO 0.21 -1.83 0.32 0.09 0.95 0.00 0.00 175.26 175.00 3hf9 n ASN 174 N -3.37 -3.58 -4.76 0.83 5.03 -1.26 -4.91 115.26 103.24 3hf9 n ASN 174 Ca 0.11 -0.17 -0.31 0.00 0.87 0.00 0.00 54.58 55.09 3hf9 n ASN 174 Cb 0.60 -3.00 0.10 0.00 -1.02 0.00 0.00 39.78 36.46 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hf9 s ALA 175 N -2.78 2.10 0.99 5.41 0.00 -1.26 -4.24 121.76 121.97 3hf9 s ALA 175 Ca 0.26 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 3hf9 s ALA 175 Cb -0.14 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.91 3hf9 s ALA 175 CO 0.32 -1.89 1.09 0.45 0.00 0.00 0.00 175.76 175.73 3hf9 s SER 176 N -3.41 2.46 0.07 0.00 0.15 -1.26 -3.12 113.70 108.58 3hf9 s SER 176 Ca 0.62 1.81 -0.31 0.00 0.70 0.00 0.00 55.95 58.77 3hf9 s SER 176 Cb -0.17 -2.40 -0.18 0.00 -1.71 0.00 0.00 66.02 61.55 3hf9 s SER 176 CO 0.56 -3.33 1.61 0.25 1.20 0.00 0.00 173.24 173.54 3hf9 h LEU 177 N -2.02 -0.66 -2.57 3.45 5.85 -1.98 -1.92 115.31 115.46 3hf9 h LEU 177 Ca -0.50 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 3hf9 h LEU 177 Cb 1.29 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 3hf9 h LEU 177 CO 0.47 -0.45 -0.02 0.00 -0.34 0.00 0.00 178.44 178.10 3hf9 h THR 178 N -0.80 0.25 0.20 1.05 1.03 -1.92 0.14 112.91 112.87 3hf9 h THR 178 Ca -0.08 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.20 3hf9 h THR 178 Cb 0.60 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 3hf9 h THR 178 CO 0.13 0.02 -0.10 0.44 -0.01 0.00 0.00 175.52 176.00 3hf9 h ASP 179 N 0.00 -0.23 -0.89 0.00 3.45 -1.89 -2.83 116.42 114.02 3hf9 h ASP 179 Ca -0.00 0.01 0.37 0.00 0.43 0.00 0.00 57.03 57.83 3hf9 h ASP 179 Cb 0.08 0.06 -0.16 0.00 -0.56 0.00 0.00 39.33 38.75 3hf9 h ASP 179 CO 0.00 0.09 0.45 0.00 -1.57 0.00 0.00 179.24 178.22 3hf9 n ALA 180 N -2.53 0.89 0.11 3.45 0.00 -0.73 -0.36 120.51 121.34 3hf9 n ALA 180 Ca -0.03 0.91 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 3hf9 n ALA 180 Cb 0.11 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 3hf9 n ALA 180 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hf9 h LEU 181 N 0.00 -0.22 0.08 0.00 5.85 -0.75 -1.00 115.31 119.28 3hf9 h LEU 181 Ca 0.75 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 59.32 3hf9 h LEU 181 Cb 1.95 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 3hf9 h LEU 181 CO -0.70 0.04 -0.15 0.03 -0.34 0.00 0.00 178.44 177.33 3hf9 h ARG 182 N -0.48 -0.28 -0.70 1.25 3.08 -0.63 0.90 114.38 117.52 3hf9 h ARG 182 Ca -0.03 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.19 3hf9 h ARG 182 Cb 0.36 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.37 3hf9 h ARG 182 CO 0.04 -0.18 0.13 0.82 -1.07 0.00 0.00 179.97 179.70 3hf9 h ILE 183 N -0.29 0.51 -0.14 2.04 2.04 -0.71 0.41 117.51 121.37 3hf9 h ILE 183 Ca 0.02 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3hf9 h ILE 183 Cb 0.31 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3hf9 h ILE 183 CO -0.08 0.04 -0.19 0.00 0.00 0.00 0.00 178.15 177.91 3hf9 h ALA 184 N 1.60 0.21 -0.43 1.87 0.00 -0.65 -0.03 119.26 121.82 3hf9 h ALA 184 Ca 0.39 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3hf9 h ALA 184 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hf9 h ALA 184 CO -0.52 0.14 -0.22 0.28 0.00 0.00 0.00 179.25 178.93 3hf9 h VAL 185 N -0.02 1.27 0.04 0.00 2.07 -0.23 -1.95 116.25 117.43 3hf9 h VAL 185 Ca 0.01 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3hf9 h VAL 185 Cb 0.75 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3hf9 h VAL 185 CO 0.05 0.46 -0.03 0.00 0.02 0.00 0.00 177.57 178.07 3hf9 h ALA 186 N 0.99 -0.06 -0.60 1.67 0.00 -0.18 -2.62 119.26 118.46 3hf9 h ALA 186 Ca 0.10 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3hf9 h ALA 186 Cb 0.76 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3hf9 h ALA 186 CO 0.06 -0.53 0.41 0.00 0.00 0.00 0.00 179.25 179.19 3hf9 h ALA 187 N 0.90 2.17 -0.10 0.00 0.00 -0.81 -2.11 119.26 119.31 3hf9 h ALA 187 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3hf9 h ALA 187 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hf9 h ALA 187 CO -0.00 -0.32 -0.63 -0.07 0.00 0.00 0.00 179.25 178.22 3hf9 h LEU 188 N 0.29 0.41 -0.19 0.00 3.38 -1.00 -3.33 115.31 114.86 3hf9 h LEU 188 Ca 0.29 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hf9 h LEU 188 Cb 0.73 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3hf9 h LEU 188 CO -0.07 0.93 -0.19 0.03 0.09 0.00 0.00 178.44 179.24 3hf9 h ARG 189 N 0.26 -0.10 0.00 1.13 3.08 -1.03 -3.48 114.38 114.23 3hf9 h ARG 189 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hf9 h ARG 189 Cb 1.17 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3hf9 h ARG 189 CO 0.11 -0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 3hf9 n ALA 190 N -2.90 0.58 0.00 0.04 0.00 -1.25 -5.09 120.51 111.89 3hf9 n ALA 190 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hf9 n ALA 190 Cb 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3hf9 n ALA 190 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hf9 n VAL 205 N -0.48 0.00 -0.55 0.00 0.24 -1.26 -4.72 118.33 111.56 3hf9 n VAL 205 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 3hf9 n VAL 205 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 3hf9 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hf9 n ALA 206 N 0.00 1.68 -0.78 2.33 0.00 -1.26 -4.60 120.51 117.89 3hf9 n ALA 206 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 53.44 52.54 3hf9 n ALA 206 Cb 0.00 -0.06 0.20 0.00 0.00 0.00 0.00 19.45 19.59 3hf9 n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hf9 n SER 207 N -0.38 3.34 -4.44 0.00 3.41 -1.26 -4.80 113.62 109.48 3hf9 n SER 207 Ca 0.01 -2.76 -0.28 0.00 -0.26 0.00 0.00 58.87 55.58 3hf9 n SER 207 Cb 0.40 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.80 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 208 N -2.35 2.52 -0.17 1.04 1.43 -1.25 -0.43 118.68 119.46 3hf9 s LEU 208 Ca 0.34 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3hf9 s LEU 208 Cb 0.27 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3hf9 s LEU 208 CO 0.09 0.16 -0.07 -1.61 0.23 0.00 0.00 176.35 175.15 3hf9 s GLU 209 N -2.28 3.45 -0.02 1.70 2.02 -0.02 -4.78 118.70 118.76 3hf9 s GLU 209 Ca 0.18 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3hf9 s GLU 209 Cb -0.10 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3hf9 s GLU 209 CO 0.09 0.06 -0.10 0.08 0.02 0.00 0.00 175.26 175.41 3hf9 s VAL 210 N 0.81 0.81 0.19 2.63 1.01 -1.26 -1.26 120.40 123.33 3hf9 s VAL 210 Ca -0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 3hf9 s VAL 210 Cb -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3hf9 s VAL 210 CO 0.01 0.25 0.52 0.00 0.00 0.00 0.00 175.10 175.88 3hf9 s ALA 211 N 0.12 -0.94 0.02 5.51 0.00 -0.69 -3.31 121.76 122.47 3hf9 s ALA 211 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3hf9 s ALA 211 Cb -0.08 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 3hf9 s ALA 211 CO 0.00 -0.79 -0.03 0.14 0.00 0.00 0.00 175.76 175.08 3hf9 s VAL 212 N -3.87 0.12 -0.66 0.00 -7.23 -0.84 0.40 120.40 108.31 3hf9 s VAL 212 Ca 0.09 -0.91 -0.21 0.00 -1.81 0.00 0.00 61.98 59.14 3hf9 s VAL 212 Cb -0.01 -0.26 0.09 0.00 0.56 0.00 0.00 36.38 36.76 3hf9 s VAL 212 CO -0.04 -0.50 0.89 -0.76 -0.31 0.00 0.00 175.10 174.39 3hf9 s LEU 213 N -1.46 4.81 -0.34 1.32 1.02 0.40 -1.80 118.68 122.62 3hf9 s LEU 213 Ca -0.16 -1.26 -0.23 0.00 0.02 0.00 0.00 54.13 52.51 3hf9 s LEU 213 Cb -0.10 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.74 3hf9 s LEU 213 CO -0.01 -1.29 0.75 -0.62 0.02 0.00 0.00 176.35 175.20 3hf9 s ASP 214 N 3.65 6.55 0.49 2.29 -1.08 -0.87 -2.68 116.67 125.02 3hf9 s ASP 214 Ca 0.19 0.40 0.22 0.00 -0.52 0.00 0.00 52.55 52.85 3hf9 s ASP 214 Cb -0.18 -2.38 1.28 0.00 -1.46 0.00 0.00 42.92 40.18 3hf9 s ASP 214 CO 0.07 -0.66 2.04 0.00 0.52 0.00 0.00 175.17 177.14 3hf9 h ALA 215 N 8.36 1.44 -0.68 3.66 0.00 -1.82 -2.59 119.26 127.63 3hf9 h ALA 215 Ca -0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3hf9 h ALA 215 Cb 1.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3hf9 h ALA 215 CO 0.88 0.18 0.30 -0.97 0.00 0.00 0.00 179.25 179.65 3hf9 h ASN 216 N 0.00 0.89 -3.32 0.00 -1.24 -1.91 -3.41 115.58 106.59 3hf9 h ASN 216 Ca -0.00 -0.11 -0.53 0.00 0.71 0.00 0.00 56.30 56.37 3hf9 h ASN 216 Cb 0.33 -0.23 0.08 0.00 0.73 0.00 0.00 38.32 39.23 3hf9 h ASN 216 CO 0.02 0.77 0.87 -0.13 -1.29 0.00 0.00 177.43 177.67 3hf9 s ARG 217 N -5.51 4.14 0.13 6.67 1.81 -0.98 -4.94 118.95 120.28 3hf9 s ARG 217 Ca -0.11 2.54 -0.15 0.00 -1.72 0.00 0.00 55.73 56.29 3hf9 s ARG 217 Cb 0.16 -3.04 -0.00 0.00 -0.45 0.00 0.00 34.95 31.62 3hf9 s ARG 217 CO 0.80 -0.61 1.63 -1.35 -0.68 0.00 0.00 175.30 175.10 3hf9 h PRO 218 N 4.93 0.67 0.00 3.54 0.11 -1.89 -3.42 132.00 135.94 3hf9 h PRO 218 Ca -0.47 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3hf9 h PRO 218 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hf9 h PRO 218 CO 0.80 0.69 -0.22 -2.13 -0.21 0.00 0.00 178.00 176.92 3hf9 n ARG 219 N -4.54 0.00 -3.30 1.05 0.63 -1.26 -4.44 116.66 104.79 3hf9 n ARG 219 Ca -0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.48 3hf9 n ARG 219 Cb 0.21 -0.48 -0.07 0.00 0.45 0.00 0.00 32.46 32.57 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -2.00 3.02 0.19 -0.14 0.52 -1.26 -4.41 118.95 114.87 3hf9 s ARG 220 Ca 0.00 -1.27 -0.09 0.00 -0.52 0.00 0.00 55.73 53.84 3hf9 s ARG 220 Cb 0.00 -4.15 0.10 0.00 0.52 0.00 0.00 34.95 31.42 3hf9 s ARG 220 CO 0.00 -1.14 1.70 0.00 0.02 0.00 0.00 175.30 175.88 3hf9 h ALA 221 N 8.86 0.89 -2.61 2.13 0.00 -1.49 -3.44 119.26 123.58 3hf9 h ALA 221 Ca -0.28 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 3hf9 h ALA 221 Cb 1.10 -0.26 0.04 0.00 0.00 0.00 0.00 17.79 18.68 3hf9 h ALA 221 CO 0.93 0.61 0.88 0.12 0.00 0.00 0.00 179.25 181.80 3hf9 s PHE 222 N -5.29 3.05 0.03 0.00 5.36 -1.25 -2.06 117.98 117.81 3hf9 s PHE 222 Ca -0.12 0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 3hf9 s PHE 222 Cb 0.14 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.86 3hf9 s PHE 222 CO 0.84 -3.45 -0.02 0.50 -1.46 0.00 0.00 175.22 171.63 3hf9 s ARG 223 N 1.09 0.38 -0.05 10.12 3.52 -0.75 -4.97 118.95 128.28 3hf9 s ARG 223 Ca 0.70 -0.73 0.04 0.00 -0.13 0.00 0.00 55.73 55.61 3hf9 s ARG 223 Cb -0.44 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.08 3hf9 s ARG 223 CO 0.32 -0.07 -0.17 1.03 -0.81 0.00 0.00 175.30 175.60 3hf9 s ARG 224 N -1.96 1.94 -0.22 5.12 0.52 -1.26 -2.00 118.95 121.09 3hf9 s ARG 224 Ca -0.11 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 3hf9 s ARG 224 Cb -0.06 -1.63 0.02 0.00 0.52 0.00 0.00 34.95 33.79 3hf9 s ARG 224 CO -0.03 0.20 -0.10 0.42 0.02 0.00 0.00 175.30 175.81 3hf9 s ILE 225 N 0.18 2.72 -0.24 1.52 1.01 -1.21 -5.03 121.20 120.16 3hf9 s ILE 225 Ca -0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 3hf9 s ILE 225 Cb -0.13 -2.30 -0.12 0.00 0.01 0.00 0.00 42.46 39.91 3hf9 s ILE 225 CO 0.03 0.33 -0.27 0.41 0.00 0.00 0.00 174.94 175.44 3hf9 n THR 226 N 4.67 1.34 0.00 2.92 -1.04 -1.26 -4.47 114.28 116.43 3hf9 n THR 226 Ca -0.18 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 3hf9 n THR 226 Cb 0.48 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 3hf9 n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hf9 n GLY 227 N 1.85 1.76 0.37 3.41 0.00 -1.26 -4.81 105.19 106.51 3hf9 n GLY 227 Ca -0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 228 N 0.00 1.11 -0.98 1.61 4.64 -1.99 0.15 113.55 118.09 3hf9 h SER 228 Ca 0.00 -0.06 0.17 0.00 -0.47 0.00 0.00 61.79 61.43 3hf9 h SER 228 Cb 0.00 -0.28 -0.09 0.00 -0.31 0.00 0.00 62.40 61.72 3hf9 h SER 228 CO 0.00 0.84 0.61 0.00 -0.87 0.00 0.00 176.83 177.41 3hf9 h ALA 229 N 1.35 1.72 -0.48 5.18 0.00 -1.98 0.20 119.26 125.25 3hf9 h ALA 229 Ca 0.34 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 3hf9 h ALA 229 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hf9 h ALA 229 CO -0.07 -0.03 0.13 1.25 0.00 0.00 0.00 179.25 180.54 3hf9 h LEU 230 N 0.78 0.72 -0.70 0.00 6.46 -1.03 -1.03 115.31 120.51 3hf9 h LEU 230 Ca 0.52 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 58.00 3hf9 h LEU 230 Cb 0.79 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 3hf9 h LEU 230 CO -0.30 0.76 0.21 1.56 -0.62 0.00 0.00 178.44 180.05 3hf9 h GLN 231 N 0.66 1.10 -0.82 1.25 4.20 -0.18 -2.50 115.11 118.81 3hf9 h GLN 231 Ca 0.15 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3hf9 h GLN 231 Cb 0.31 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3hf9 h GLN 231 CO -0.00 0.96 0.39 0.00 -0.67 0.00 0.00 178.83 179.51 3hf9 h ALA 232 N 1.10 1.13 0.00 3.87 0.00 -0.48 -3.51 119.26 121.36 3hf9 h ALA 232 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 232 Cb 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hf9 h ALA 232 CO -0.00 0.65 0.00 -0.11 0.00 0.00 0.00 179.25 179.79