#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 0.06 -0.64 3.49 5.75 -2.05 -3.33 115.11 118.40 3hf9 h GLN 11 Ca 0.00 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3hf9 h GLN 11 Cb 0.00 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3hf9 h GLN 11 CO 0.00 0.82 0.31 0.00 -2.65 0.00 0.00 178.83 177.31 3hf9 h ALA 12 N 0.85 0.82 -0.23 3.38 0.00 -2.05 -1.16 119.26 120.88 3hf9 h ALA 12 Ca -0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3hf9 h ALA 12 Cb 1.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3hf9 h ALA 12 CO 0.11 0.38 -0.05 0.52 0.00 0.00 0.00 179.25 180.22 3hf9 h MET 13 N 0.88 0.34 -0.08 0.00 2.86 -2.00 0.12 114.93 117.06 3hf9 h MET 13 Ca 0.22 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 3hf9 h MET 13 Cb 0.12 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.73 3hf9 h MET 13 CO -0.03 0.41 -0.39 0.00 1.06 0.00 0.00 176.91 177.97 3hf9 h ARG 14 N 0.33 0.40 -0.57 1.72 2.47 -1.58 -2.09 114.38 115.05 3hf9 h ARG 14 Ca 0.07 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.45 3hf9 h ARG 14 Cb 0.30 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 3hf9 h ARG 14 CO 0.01 0.96 0.27 1.49 0.56 0.00 0.00 179.97 183.27 3hf9 h GLU 15 N -0.07 0.81 0.02 0.04 4.81 -0.68 -1.20 114.58 118.31 3hf9 h GLU 15 Ca -0.03 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 58.89 3hf9 h GLU 15 Cb 1.04 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.28 3hf9 h GLU 15 CO 0.08 0.63 -0.84 0.00 -0.73 0.00 0.00 179.01 178.15 3hf9 h ARG 16 N 0.81 0.54 0.00 1.92 3.08 -0.80 -2.85 114.38 117.06 3hf9 h ARG 16 Ca 0.20 -0.60 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 3hf9 h ARG 16 Cb 0.09 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hf9 h ARG 16 CO -0.03 1.22 -0.22 1.03 -1.07 0.00 0.00 179.97 180.90 3hf9 h SER 17 N 0.10 0.00 1.30 7.04 0.87 -1.03 -1.95 113.55 119.88 3hf9 h SER 17 Ca -0.11 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 3hf9 h SER 17 Cb 1.53 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.47 3hf9 h SER 17 CO 0.16 0.22 -0.72 -0.33 -0.53 0.00 0.00 176.83 175.64 3hf9 h GLU 18 N 0.00 0.00 0.05 2.24 4.39 -1.27 -2.76 114.58 117.22 3hf9 h GLU 18 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 3hf9 h GLU 18 Cb 0.47 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3hf9 h GLU 18 CO 0.03 0.46 -1.09 1.25 -1.16 0.00 0.00 179.01 178.50 3hf9 h LEU 19 N 0.00 0.75 -0.22 1.33 7.12 -1.19 -2.70 115.31 120.40 3hf9 h LEU 19 Ca -0.04 -0.64 -0.03 0.00 0.13 0.00 0.00 57.88 57.30 3hf9 h LEU 19 Cb 1.43 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 3hf9 h LEU 19 CO 0.06 1.45 0.00 0.00 -0.13 0.00 0.00 178.44 179.82 3hf9 h ALA 20 N 0.49 0.29 -0.84 1.25 0.00 -1.42 -2.67 119.26 116.36 3hf9 h ALA 20 Ca -0.13 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.61 3hf9 h ALA 20 Cb 1.75 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3hf9 h ALA 20 CO 0.20 0.01 0.55 0.00 0.00 0.00 0.00 179.25 180.01 3hf9 h ARG 21 N 0.15 0.99 -0.43 0.00 3.08 -1.55 -2.20 114.38 114.41 3hf9 h ARG 21 Ca 0.06 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3hf9 h ARG 21 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3hf9 h ARG 21 CO 0.01 0.66 -0.15 0.87 -1.07 0.00 0.00 179.97 180.29 3hf9 h LYS 22 N 1.02 0.81 -0.44 0.04 1.57 -1.34 0.03 116.57 118.27 3hf9 h LYS 22 Ca 0.34 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3hf9 h LYS 22 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3hf9 h LYS 22 CO -0.10 0.91 -0.20 0.78 -0.57 0.00 0.00 179.45 180.26 3hf9 h GLY 23 N 0.97 0.95 1.29 3.86 0.00 -1.07 -3.03 103.07 106.03 3hf9 h GLY 23 Ca 0.11 -0.81 -0.32 0.00 0.00 0.00 0.00 47.33 46.31 3hf9 h GLY 23 CO 0.05 0.74 -1.48 -2.22 0.00 0.00 0.00 176.54 173.63 3hf9 h ILE 24 N 0.76 1.26 0.00 2.60 2.04 -1.27 -2.99 117.51 119.91 3hf9 h ILE 24 Ca 0.11 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.19 3hf9 h ILE 24 Cb 0.74 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 3hf9 h ILE 24 CO 0.06 0.84 0.00 0.00 0.00 0.00 0.00 178.15 179.05 3hf9 n ALA 25 N -2.69 1.12 -0.01 1.87 0.00 -0.02 -0.68 120.51 120.11 3hf9 n ALA 25 Ca -0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 3hf9 n ALA 25 Cb 1.07 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.37 3hf9 n ALA 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hf9 n ARG 26 N -1.48 0.63 -2.41 0.00 3.00 -1.13 -4.20 116.66 111.07 3hf9 n ARG 26 Ca 0.01 0.25 -0.25 0.00 -0.00 0.00 0.00 57.85 57.86 3hf9 n ARG 26 Cb 0.03 -1.78 0.05 0.00 0.00 0.00 0.00 32.46 30.75 3hf9 n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hf9 s ALA 27 N -2.72 3.40 0.45 5.13 0.00 -0.77 -4.83 121.76 122.41 3hf9 s ALA 27 Ca -0.04 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 3hf9 s ALA 27 Cb 0.08 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.66 3hf9 s ALA 27 CO 0.82 -0.97 0.90 0.15 0.00 0.00 0.00 175.76 176.66 3hf9 s LYS 28 N -5.02 3.99 0.51 0.00 1.02 -1.26 -1.12 119.74 117.86 3hf9 s LYS 28 Ca 0.57 0.86 -0.12 0.00 0.02 0.00 0.00 55.97 57.30 3hf9 s LYS 28 Cb -0.11 -2.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 3hf9 s LYS 28 CO 0.43 -0.11 0.91 -1.12 -0.92 0.00 0.00 175.35 174.54 3hf9 s SER 29 N -2.77 6.43 0.02 2.83 0.01 -1.26 -4.50 113.70 114.46 3hf9 s SER 29 Ca 0.57 1.31 0.03 0.00 1.31 0.00 0.00 55.95 59.17 3hf9 s SER 29 Cb -0.10 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 3hf9 s SER 29 CO 0.25 -0.61 -0.08 -0.69 0.41 0.00 0.00 173.24 172.52 3hf9 s VAL 30 N -2.73 0.63 -0.03 3.43 1.01 0.04 -2.50 120.40 120.25 3hf9 s VAL 30 Ca 0.54 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3hf9 s VAL 30 Cb -0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3hf9 s VAL 30 CO 0.40 -0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 174.58 3hf9 s VAL 31 N -0.63 1.54 -0.06 2.92 1.01 0.15 -0.44 120.40 124.88 3hf9 s VAL 31 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3hf9 s VAL 31 Cb -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.03 3hf9 s VAL 31 CO 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.41 3hf9 s ALA 32 N -0.18 1.26 0.04 5.51 0.00 -0.36 -1.20 121.76 126.83 3hf9 s ALA 32 Ca 0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 3hf9 s ALA 32 Cb -0.10 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3hf9 s ALA 32 CO 0.01 0.13 0.04 -0.48 0.00 0.00 0.00 175.76 175.47 3hf9 s LEU 33 N 0.58 2.05 -0.12 0.00 2.34 -0.72 0.23 118.68 123.03 3hf9 s LEU 33 Ca -0.13 -0.64 -0.17 0.00 0.06 0.00 0.00 54.13 53.24 3hf9 s LEU 33 Cb -0.15 0.42 -0.04 0.00 -0.56 0.00 0.00 46.19 45.85 3hf9 s LEU 33 CO 0.03 -0.50 0.44 0.00 -1.06 0.00 0.00 176.35 175.27 3hf9 s ALA 34 N -2.73 3.50 0.24 1.48 0.00 -0.36 -0.97 121.76 122.92 3hf9 s ALA 34 Ca -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3hf9 s ALA 34 Cb -0.01 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3hf9 s ALA 34 CO -0.05 0.03 0.04 1.52 0.00 0.00 0.00 175.76 177.30 3hf9 s TYR 35 N 0.54 1.52 0.28 0.00 -0.85 0.40 -4.40 117.35 114.83 3hf9 s TYR 35 Ca 0.24 -1.05 -0.03 0.00 -0.52 0.00 0.00 57.07 55.72 3hf9 s TYR 35 Cb -0.15 -0.89 0.39 0.00 0.38 0.00 0.00 41.96 41.69 3hf9 s TYR 35 CO 0.09 -0.19 1.93 0.00 -1.52 0.00 0.00 175.55 175.86 3hf9 h ALA 36 N 2.45 1.39 -0.68 9.51 0.00 -1.67 -1.64 119.26 128.62 3hf9 h ALA 36 Ca -0.38 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3hf9 h ALA 36 Cb 1.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hf9 h ALA 36 CO 0.63 0.53 0.26 0.78 0.00 0.00 0.00 179.25 181.45 3hf9 h GLY 37 N 1.20 1.07 0.00 0.00 0.00 -1.92 -3.49 103.07 99.94 3hf9 h GLY 37 Ca 0.37 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3hf9 h GLY 37 CO -0.11 0.54 0.00 0.61 0.00 0.00 0.00 176.54 177.58 3hf9 n GLY 38 N -0.96 -0.52 3.81 4.60 0.00 -0.62 -2.85 105.19 108.66 3hf9 n GLY 38 Ca 0.06 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.59 5.20 -0.15 1.61 1.01 -1.01 -0.45 120.40 123.01 3hf9 s VAL 39 Ca 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 3hf9 s VAL 39 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3hf9 s VAL 39 CO 0.00 0.52 -0.06 -0.22 0.00 0.00 0.00 175.10 175.35 3hf9 s LEU 40 N -0.57 3.14 -0.21 3.92 2.96 -0.14 -0.06 118.68 127.73 3hf9 s LEU 40 Ca 0.20 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3hf9 s LEU 40 Cb -0.15 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3hf9 s LEU 40 CO 0.09 0.17 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.93 3hf9 s PHE 41 N 0.32 3.02 -0.08 5.38 0.08 0.11 -1.75 117.98 125.05 3hf9 s PHE 41 Ca -0.05 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.45 3hf9 s PHE 41 Cb -0.14 -2.10 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3hf9 s PHE 41 CO 0.03 -0.32 -0.08 0.08 -0.10 0.00 0.00 175.22 174.83 3hf9 s VAL 42 N 1.15 0.96 0.01 -0.44 1.01 -0.34 -1.62 120.40 121.13 3hf9 s VAL 42 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3hf9 s VAL 42 Cb -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3hf9 s VAL 42 CO 0.01 0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.39 3hf9 s ALA 43 N 1.22 0.43 -0.20 5.51 0.00 -0.66 -0.68 121.76 127.38 3hf9 s ALA 43 Ca -0.05 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 3hf9 s ALA 43 Cb -0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3hf9 s ALA 43 CO -0.02 0.07 0.93 -1.83 0.00 0.00 0.00 175.76 174.91 3hf9 s GLU 44 N -0.45 4.28 -0.29 0.00 -1.05 -1.04 -1.10 118.70 119.05 3hf9 s GLU 44 Ca -0.01 1.18 0.03 0.00 -0.15 0.00 0.00 54.97 56.02 3hf9 s GLU 44 Cb -0.04 -3.61 0.20 0.00 -0.44 0.00 0.00 34.13 30.24 3hf9 s GLU 44 CO -0.00 -0.47 0.59 1.21 0.95 0.00 0.00 175.26 177.54 3hf9 s ASN 45 N 1.20 -1.50 0.05 0.83 2.47 0.65 -4.64 114.94 113.99 3hf9 s ASN 45 Ca 0.41 0.45 -0.34 0.00 0.42 0.00 0.00 52.86 53.80 3hf9 s ASN 45 Cb -0.16 2.07 -0.19 0.00 -1.45 0.00 0.00 41.25 41.52 3hf9 s ASN 45 CO 0.10 -0.29 1.44 -0.65 -3.72 0.00 0.00 177.10 173.99 3hf9 h PRO 46 N 8.00 -1.19 -6.17 0.43 0.11 -1.86 -3.29 132.00 128.03 3hf9 h PRO 46 Ca -0.10 0.08 -0.68 0.00 0.11 0.00 0.00 66.00 65.41 3hf9 h PRO 46 Cb 1.18 0.27 0.09 0.00 0.11 0.00 0.00 31.00 32.64 3hf9 h PRO 46 CO 0.20 -0.79 -0.04 0.45 -0.21 0.00 0.00 178.00 177.60 3hf9 n SER 47 N -5.50 0.24 0.13 -2.05 2.88 -1.26 -4.86 113.62 103.21 3hf9 n SER 47 Ca -0.15 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.66 3hf9 n SER 47 Cb 0.49 -1.08 0.21 0.00 -0.75 0.00 0.00 64.21 63.07 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 2.39 0.00 0.00 -1.46 0.11 -1.96 -3.40 114.38 110.06 3hf9 h ARG 48 Ca -0.40 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.64 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 0.64 0.00 -1.30 -1.13 0.10 0.00 0.00 179.97 178.28 3hf9 n SER 49 N -2.58 3.77 -4.48 0.08 3.41 -1.26 -4.95 113.62 107.60 3hf9 n SER 49 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.29 3hf9 n SER 49 Cb 0.49 0.92 -0.12 0.00 -0.26 0.00 0.00 64.21 65.24 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 -3.89 3.40 -0.09 1.04 1.43 -1.26 -5.08 118.68 114.22 3hf9 s LEU 50 Ca -0.02 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3hf9 s LEU 50 Cb 0.02 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3hf9 s LEU 50 CO 0.21 0.06 -0.08 -1.10 0.23 0.00 0.00 176.35 175.67 3hf9 s GLN 51 N 1.03 2.99 0.03 1.70 -0.21 -1.26 -4.84 119.66 119.10 3hf9 s GLN 51 Ca 0.03 -0.59 0.22 0.00 0.02 0.00 0.00 55.36 55.04 3hf9 s GLN 51 Cb -0.14 -2.62 -0.08 0.00 1.00 0.00 0.00 33.01 31.17 3hf9 s GLN 51 CO 0.02 0.50 0.89 1.63 -2.12 0.00 0.00 175.29 176.22 3hf9 n LYS 52 N 2.69 0.34 -4.41 2.91 5.02 -1.26 -4.92 118.16 118.53 3hf9 n LYS 52 Ca -0.18 -0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 55.82 3hf9 n LYS 52 Cb 0.53 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.84 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 -3.24 2.25 -0.13 -0.18 1.01 -1.26 -1.58 121.20 118.07 3hf9 s ILE 53 Ca 0.02 -2.02 -0.30 0.00 0.00 0.00 0.00 60.65 58.34 3hf9 s ILE 53 Cb 0.14 -2.07 0.13 0.00 0.01 0.00 0.00 42.46 40.66 3hf9 s ILE 53 CO 0.83 -0.17 1.02 -0.55 0.00 0.00 0.00 174.94 176.08 3hf9 s SER 54 N -2.70 -0.31 0.35 3.58 0.15 -0.37 -5.00 113.70 109.39 3hf9 s SER 54 Ca 0.20 0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.80 3hf9 s SER 54 Cb -0.07 0.28 -0.10 0.00 -1.71 0.00 0.00 66.02 64.42 3hf9 s SER 54 CO 0.09 -0.38 0.98 -0.70 1.20 0.00 0.00 173.24 174.42 3hf9 s GLU 55 N -1.88 4.47 -0.04 5.44 2.12 -1.26 -1.08 118.70 126.46 3hf9 s GLU 55 Ca 0.03 1.38 0.02 0.00 0.36 0.00 0.00 54.97 56.76 3hf9 s GLU 55 Cb -0.01 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 3hf9 s GLU 55 CO -0.03 0.16 0.00 1.28 -0.54 0.00 0.00 175.26 176.13 3hf9 n LEU 56 N 0.36 0.69 0.00 2.70 4.77 -0.79 -4.83 117.00 119.90 3hf9 n LEU 56 Ca 0.03 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 3hf9 n LEU 56 Cb 0.50 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3hf9 n LEU 56 CO 0.44 0.20 0.47 0.00 -1.33 0.00 0.00 177.39 177.17 3hf9 n TYR 57 N -2.24 -2.12 -0.14 -1.77 9.36 -0.78 -4.66 117.16 114.81 3hf9 n TYR 57 Ca -0.06 -1.55 -0.07 0.00 3.32 0.00 0.00 57.90 59.53 3hf9 n TYR 57 Cb 0.61 0.78 0.01 0.00 -0.63 0.00 0.00 39.34 40.10 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 1.68 0.47 -0.35 2.98 3.32 -1.98 -3.19 116.42 119.35 3hf9 h ASP 58 Ca -0.28 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3hf9 h ASP 58 Cb 1.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3hf9 h ASP 58 CO 0.36 0.34 0.00 0.54 -1.72 0.00 0.00 179.24 178.76 3hf9 n ARG 59 N -4.80 2.90 -4.69 3.56 5.12 -1.26 0.13 116.66 117.61 3hf9 n ARG 59 Ca 0.01 -2.20 -0.24 0.00 -1.93 0.00 0.00 57.85 53.49 3hf9 n ARG 59 Cb 0.04 -1.38 -0.16 0.00 -1.16 0.00 0.00 32.46 29.80 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 -1.29 1.21 0.40 1.55 0.11 -1.21 0.34 120.40 121.52 3hf9 s VAL 60 Ca 0.27 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 3hf9 s VAL 60 Cb 0.16 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3hf9 s VAL 60 CO 0.15 0.36 0.05 -0.83 -3.33 0.00 0.00 175.10 171.50 3hf9 s GLY 61 N 0.05 2.48 -0.06 6.54 0.00 0.12 -1.86 107.32 114.60 3hf9 s GLY 61 Ca -0.03 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 43.03 3hf9 s GLY 61 CO 0.01 -1.97 0.12 -0.12 0.00 0.00 0.00 173.10 171.15 3hf9 s PHE 62 N -3.04 -0.13 -0.01 1.90 2.19 -0.24 -1.38 117.98 117.27 3hf9 s PHE 62 Ca 0.28 0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.96 3hf9 s PHE 62 Cb 0.07 -0.11 0.00 0.00 -1.31 0.00 0.00 43.02 41.67 3hf9 s PHE 62 CO 0.14 -0.15 -0.02 0.00 1.83 0.00 0.00 175.22 177.02 3hf9 s ALA 63 N 1.13 0.21 0.14 11.12 0.00 -0.93 -1.24 121.76 132.20 3hf9 s ALA 63 Ca -0.09 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.85 3hf9 s ALA 63 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3hf9 s ALA 63 CO -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 175.76 175.66 3hf9 s ALA 64 N 0.12 1.35 0.03 0.00 0.00 -0.62 -1.54 121.76 121.10 3hf9 s ALA 64 Ca -0.01 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.48 3hf9 s ALA 64 Cb -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3hf9 s ALA 64 CO -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 175.76 175.52 3hf9 s ALA 65 N -3.44 0.50 0.00 0.00 0.00 -0.44 -4.84 121.76 113.54 3hf9 s ALA 65 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3hf9 s ALA 65 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3hf9 s ALA 65 CO 0.00 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3hf9 n GLY 66 N 1.82 0.65 3.66 0.00 0.00 -1.26 -2.07 105.19 107.98 3hf9 n GLY 66 Ca -0.21 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.03 4.16 0.01 1.61 2.20 -0.71 -4.94 119.74 121.03 3hf9 s LYS 67 Ca 0.00 1.76 -0.02 0.00 -0.36 0.00 0.00 55.97 57.35 3hf9 s LYS 67 Cb 0.00 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 3hf9 s LYS 67 CO 0.00 -0.82 1.04 0.35 -0.36 0.00 0.00 175.35 175.55 3hf9 h PHE 68 N 8.84 -0.11 -1.29 4.03 3.57 -1.96 -1.58 116.94 128.44 3hf9 h PHE 68 Ca -0.30 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.58 3hf9 h PHE 68 Cb 1.13 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 3hf9 h PHE 68 CO 0.84 -0.04 1.11 -2.95 -2.23 0.00 0.00 178.31 175.04 3hf9 h ASN 69 N -0.04 0.00 0.16 0.41 -1.07 -1.98 0.26 115.58 113.33 3hf9 h ASN 69 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.10 3hf9 h ASN 69 Cb 0.04 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.31 3hf9 h ASN 69 CO -0.03 0.00 -1.27 -0.33 0.07 0.00 0.00 177.43 175.87 3hf9 h GLU 70 N 0.00 0.34 0.00 4.14 5.08 -1.70 -3.09 114.58 119.36 3hf9 h GLU 70 Ca 0.61 -0.59 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 3hf9 h GLU 70 Cb 2.82 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 32.26 3hf9 h GLU 70 CO -0.01 1.28 -1.25 0.27 -1.00 0.00 0.00 179.01 178.31 3hf9 h PHE 71 N -0.18 0.01 0.25 4.33 -5.15 -0.35 -2.60 116.94 113.25 3hf9 h PHE 71 Ca -0.25 -0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.51 3hf9 h PHE 71 Cb 1.85 -0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.02 3hf9 h PHE 71 CO 0.15 1.00 -0.12 0.22 -2.00 0.00 0.00 178.31 177.56 3hf9 h ASP 72 N 0.00 -0.28 -0.03 -0.68 3.58 -0.78 0.17 116.42 118.41 3hf9 h ASP 72 Ca -0.11 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3hf9 h ASP 72 Cb 1.86 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.98 3hf9 h ASP 72 CO 0.11 -0.08 -0.02 -3.20 -2.88 0.00 0.00 179.24 173.18 3hf9 n ASN 73 N -5.17 -0.03 -0.31 2.28 5.15 -1.17 -1.10 115.26 114.91 3hf9 n ASN 73 Ca -0.09 0.84 0.05 0.00 -0.60 0.00 0.00 54.58 54.78 3hf9 n ASN 73 Cb 0.20 -0.40 0.11 0.00 -0.53 0.00 0.00 39.78 39.16 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 -2.90 -0.33 -0.25 1.20 4.77 -0.97 0.11 117.00 118.63 3hf9 n LEU 74 Ca 0.00 1.49 0.02 0.00 -0.03 0.00 0.00 56.01 57.48 3hf9 n LEU 74 Cb 0.01 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 40.80 3hf9 n LEU 74 CO -0.00 -1.42 1.07 -0.09 -1.33 0.00 0.00 177.39 175.61 3hf9 h ARG 75 N 0.00 0.58 -0.31 3.23 2.43 0.96 0.06 114.38 121.33 3hf9 h ARG 75 Ca 0.41 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 3hf9 h ARG 75 Cb 0.62 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3hf9 h ARG 75 CO -0.89 0.38 0.08 0.00 -1.51 0.00 0.00 179.97 178.04 3hf9 h ARG 76 N 0.60 0.48 -0.90 0.20 3.08 0.11 -1.71 114.38 116.24 3hf9 h ARG 76 Ca 0.36 -0.11 0.10 0.00 0.07 0.00 0.00 59.98 60.39 3hf9 h ARG 76 Cb 0.39 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 3hf9 h ARG 76 CO -0.28 0.55 0.55 0.78 -1.07 0.00 0.00 179.97 180.50 3hf9 h GLY 77 N 0.33 1.42 0.86 0.04 0.00 -0.71 -0.94 103.07 104.07 3hf9 h GLY 77 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3hf9 h GLY 77 CO -0.00 0.17 -0.22 -1.33 0.00 0.00 0.00 176.54 175.17 3hf9 h GLY 78 N 0.91 -0.53 -0.03 4.60 0.00 -0.62 -1.34 103.07 106.05 3hf9 h GLY 78 Ca 0.43 0.24 0.02 0.00 0.00 0.00 0.00 47.33 48.02 3hf9 h GLY 78 CO -0.24 -0.21 -0.50 -2.22 0.00 0.00 0.00 176.54 173.37 3hf9 h ILE 79 N -0.52 0.00 -0.02 2.60 2.04 -0.73 0.20 117.51 121.07 3hf9 h ILE 79 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hf9 h ILE 79 Cb 0.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3hf9 h ILE 79 CO 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.15 3hf9 n GLN 80 N -5.23 -0.01 -0.19 2.37 1.13 -0.41 -0.86 117.38 114.17 3hf9 n GLN 80 Ca -0.07 0.92 -0.09 0.00 -1.94 0.00 0.00 57.00 55.82 3hf9 n GLN 80 Cb 0.36 -1.37 -0.05 0.00 0.11 0.00 0.00 30.24 29.30 3hf9 n GLN 80 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 3hf9 h PHE 81 N 0.00 -1.35 -0.08 1.08 3.57 -0.80 -1.16 116.94 118.21 3hf9 h PHE 81 Ca 0.00 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.63 3hf9 h PHE 81 Cb 0.01 0.66 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 3hf9 h PHE 81 CO -0.85 -0.43 -0.31 0.00 -2.23 0.00 0.00 178.31 174.48 3hf9 h ALA 82 N 0.51 -0.40 -0.54 2.41 0.00 0.50 -0.90 119.26 120.83 3hf9 h ALA 82 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 82 Cb 0.57 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3hf9 h ALA 82 CO -0.67 -0.80 0.35 -0.44 0.00 0.00 0.00 179.25 177.68 3hf9 h ASP 83 N -0.42 0.64 -0.14 0.00 3.32 -0.30 -1.35 116.42 118.18 3hf9 h ASP 83 Ca 0.08 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3hf9 h ASP 83 Cb 0.54 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 3hf9 h ASP 83 CO -0.31 0.48 -0.30 0.74 -1.72 0.00 0.00 179.24 178.13 3hf9 h THR 84 N 0.73 0.32 -0.51 0.35 2.02 -0.82 -1.13 112.91 113.87 3hf9 h THR 84 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 3hf9 h THR 84 Cb -0.05 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 3hf9 h THR 84 CO -0.04 0.00 0.16 0.03 0.37 0.00 0.00 175.52 176.04 3hf9 h ARG 85 N -0.37 0.31 -0.65 6.66 2.47 -0.46 0.00 114.38 122.34 3hf9 h ARG 85 Ca 0.10 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 3hf9 h ARG 85 Cb 0.52 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 3hf9 h ARG 85 CO -0.35 0.20 0.43 0.78 0.56 0.00 0.00 179.97 181.60 3hf9 h GLY 86 N 0.32 0.90 1.46 0.04 0.00 -1.08 -1.59 103.07 103.12 3hf9 h GLY 86 Ca 0.25 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 3hf9 h GLY 86 CO -0.28 0.31 -0.76 -1.82 0.00 0.00 0.00 176.54 173.99 3hf9 h TYR 87 N 0.84 0.72 -0.00 5.60 3.20 0.06 -3.29 116.97 124.10 3hf9 h TYR 87 Ca 0.25 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3hf9 h TYR 87 Cb -0.03 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.13 3hf9 h TYR 87 CO -0.00 1.11 -0.20 0.00 -1.64 0.00 0.00 178.16 177.42 3hf9 n ALA 88 N -2.54 2.89 -2.80 1.82 0.00 -0.14 -4.92 120.51 114.82 3hf9 n ALA 88 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3hf9 n ALA 88 Cb 0.73 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3hf9 n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hf9 n TYR 89 N -1.27 0.00 -1.70 0.00 4.01 -0.63 -5.06 117.16 112.50 3hf9 n TYR 89 Ca 0.09 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 3hf9 n TYR 89 Cb 0.32 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.49 3hf9 n TYR 89 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hf9 s ASP 90 N 1.20 3.51 0.08 7.72 1.01 -1.26 -4.94 116.67 123.99 3hf9 s ASP 90 Ca 0.00 0.72 0.11 0.00 0.71 0.00 0.00 52.55 54.10 3hf9 s ASP 90 Cb 0.00 -1.12 -0.17 0.00 1.01 0.00 0.00 42.92 42.64 3hf9 s ASP 90 CO 0.00 -2.53 1.04 -0.09 0.21 0.00 0.00 175.17 173.80 3hf9 h ARG 91 N -1.49 0.00 0.00 8.23 2.43 -1.90 -3.34 114.38 118.31 3hf9 h ARG 91 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hf9 h ARG 91 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3hf9 h ARG 91 CO 0.55 0.67 0.00 0.54 -1.51 0.00 0.00 179.97 180.22 3hf9 n ARG 92 N -3.17 0.92 0.16 0.20 1.74 -1.26 -3.18 116.66 112.06 3hf9 n ARG 92 Ca -0.07 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.04 3hf9 n ARG 92 Cb 0.94 -1.26 0.20 0.00 -1.02 0.00 0.00 32.46 31.31 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 0.00 -2.92 0.55 3.58 -1.93 -3.44 116.42 112.26 3hf9 h ASP 93 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 3hf9 h ASP 93 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3hf9 h ASP 93 CO 0.00 0.49 0.88 -0.69 -2.88 0.00 0.00 179.24 177.04 3hf9 s VAL 94 N -3.34 4.22 0.04 2.25 1.01 -1.19 -4.98 120.40 118.40 3hf9 s VAL 94 Ca 0.01 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3hf9 s VAL 94 Cb 0.10 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3hf9 s VAL 94 CO 0.72 -0.11 -0.04 0.42 0.00 0.00 0.00 175.10 176.10 3hf9 s THR 95 N 3.29 0.23 0.12 3.92 -4.23 -1.26 -5.01 115.64 112.70 3hf9 s THR 95 Ca 0.56 -1.27 -0.24 0.00 -1.18 0.00 0.00 61.69 59.57 3hf9 s THR 95 Cb -0.23 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 3hf9 s THR 95 CO 0.17 -0.66 1.67 1.23 -0.54 0.00 0.00 174.62 176.49 3hf9 h GLY 96 N 4.07 -0.19 -0.63 3.99 0.00 -1.93 -0.24 103.07 108.15 3hf9 h GLY 96 Ca -0.33 0.20 0.38 0.00 0.00 0.00 0.00 47.33 47.57 3hf9 h GLY 96 CO 0.50 -0.16 0.94 -0.09 0.00 0.00 0.00 176.54 177.73 3hf9 h ARG 97 N -0.26 0.02 0.00 4.80 1.12 -1.96 0.14 114.38 118.24 3hf9 h ARG 97 Ca 0.06 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.83 3hf9 h ARG 97 Cb 0.34 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 3hf9 h ARG 97 CO -0.18 0.01 -0.61 0.37 -3.11 0.00 0.00 179.97 176.45 3hf9 h GLN 98 N 0.02 0.00 -0.57 0.20 4.15 -1.46 -3.07 115.11 114.38 3hf9 h GLN 98 Ca 0.63 0.00 0.11 0.00 0.77 0.00 0.00 58.65 60.16 3hf9 h GLN 98 Cb 2.48 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 30.08 3hf9 h GLN 98 CO -0.03 0.72 0.07 -0.07 -1.93 0.00 0.00 178.83 177.59 3hf9 h LEU 99 N -1.00 -0.11 -0.09 -2.39 3.38 -0.80 0.58 115.31 114.89 3hf9 h LEU 99 Ca -0.15 0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hf9 h LEU 99 Cb 0.93 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 3hf9 h LEU 99 CO -0.09 -0.03 -0.18 0.00 0.09 0.00 0.00 178.44 178.22 3hf9 h ALA 100 N 1.48 -0.15 -0.64 1.53 0.00 -0.90 -0.64 119.26 119.93 3hf9 h ALA 100 Ca 0.29 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.37 3hf9 h ALA 100 Cb 0.45 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 3hf9 h ALA 100 CO -0.42 -0.65 -0.18 -0.97 0.00 0.00 0.00 179.25 177.03 3hf9 h ASN 101 N -0.25 -0.65 -1.00 0.00 -0.73 -1.25 0.09 115.58 111.80 3hf9 h ASN 101 Ca 0.08 0.20 0.03 0.00 1.87 0.00 0.00 56.30 58.49 3hf9 h ASN 101 Cb 0.37 0.42 -0.06 0.00 0.27 0.00 0.00 38.32 39.32 3hf9 h ASN 101 CO -0.24 -0.22 0.65 0.58 -0.37 0.00 0.00 177.43 177.83 3hf9 h VAL 102 N -0.02 1.18 -0.28 2.57 2.07 0.42 -2.22 116.25 119.97 3hf9 h VAL 102 Ca 0.30 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3hf9 h VAL 102 Cb 0.48 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3hf9 h VAL 102 CO -0.67 0.23 -0.13 1.88 0.02 0.00 0.00 177.57 178.90 3hf9 h TYR 103 N 1.27 0.68 -0.30 1.57 0.05 0.28 -2.14 116.97 118.38 3hf9 h TYR 103 Ca 0.39 -0.17 0.07 0.00 0.05 0.00 0.00 58.73 59.08 3hf9 h TYR 103 Cb -0.01 -0.16 -0.08 0.00 1.01 0.00 0.00 36.73 37.49 3hf9 h TYR 103 CO -0.00 0.83 -0.28 0.00 -1.05 0.00 0.00 178.16 177.65 3hf9 h ALA 104 N 0.75 -0.17 -0.13 3.88 0.00 -0.70 0.11 119.26 123.00 3hf9 h ALA 104 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hf9 h ALA 104 Cb 0.65 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3hf9 h ALA 104 CO 0.04 -0.70 -0.30 1.96 0.00 0.00 0.00 179.25 180.25 3hf9 h GLN 105 N -0.27 -0.36 -0.42 0.00 1.08 -1.28 0.53 115.11 114.39 3hf9 h GLN 105 Ca 0.15 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 3hf9 h GLN 105 Cb 0.50 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3hf9 h GLN 105 CO -0.45 -0.24 0.23 1.15 -0.95 0.00 0.00 178.83 178.58 3hf9 h THR 106 N -0.37 1.01 -0.32 -0.54 2.02 -0.66 0.07 112.91 114.12 3hf9 h THR 106 Ca 0.10 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 3hf9 h THR 106 Cb 0.52 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3hf9 h THR 106 CO -0.34 0.09 -0.18 -0.07 0.37 0.00 0.00 175.52 175.38 3hf9 h LEU 107 N 0.47 0.71 -1.66 2.58 3.38 -0.62 -1.84 115.31 118.33 3hf9 h LEU 107 Ca 0.18 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3hf9 h LEU 107 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hf9 h LEU 107 CO -0.10 0.98 0.06 1.23 0.09 0.00 0.00 178.44 180.70 3hf9 h GLY 108 N 0.44 0.30 0.40 0.83 0.00 -0.12 0.33 103.07 105.24 3hf9 h GLY 108 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3hf9 h GLY 108 CO 0.05 0.13 -0.19 -0.84 0.00 0.00 0.00 176.54 175.69 3hf9 h THR 109 N 0.28 0.00 -0.93 4.70 2.02 -0.90 -3.00 112.91 115.08 3hf9 h THR 109 Ca 0.07 -0.41 0.11 0.00 0.77 0.00 0.00 66.41 66.94 3hf9 h THR 109 Cb 0.10 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.38 3hf9 h THR 109 CO -0.01 0.00 -0.51 0.40 0.37 0.00 0.00 175.52 175.77 3hf9 h ILE 110 N -0.95 0.01 0.00 3.11 2.04 -1.01 0.49 117.51 121.21 3hf9 h ILE 110 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hf9 h ILE 110 Cb 0.41 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3hf9 h ILE 110 CO 0.09 0.00 0.04 0.33 0.00 0.00 0.00 178.15 178.61 3hf9 n PHE 111 N -5.34 0.38 -0.02 1.37 7.35 0.11 -2.30 117.46 119.01 3hf9 n PHE 111 Ca 0.04 0.20 -0.05 0.00 -0.76 0.00 0.00 57.45 56.87 3hf9 n PHE 111 Cb 0.32 -0.78 -0.02 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 -1.88 1.23 -1.27 -2.13 -1.04 0.11 -4.78 114.28 104.53 3hf9 n THR 112 Ca -0.01 0.21 -0.23 0.00 -2.04 0.00 0.00 64.05 61.98 3hf9 n THR 112 Cb 0.06 -1.88 0.17 0.00 -1.82 0.00 0.00 70.33 66.86 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 -3.85 2.27 -4.02 -2.82 2.13 0.13 -4.93 120.64 109.55 3hf9 n GLU 113 Ca -0.09 -3.07 -0.10 0.00 0.66 0.00 0.00 57.16 54.56 3hf9 n GLU 113 Cb 0.30 -2.16 -0.07 0.00 0.27 0.00 0.00 31.44 29.78 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 -3.36 1.30 0.10 5.31 0.74 -0.97 -4.91 119.66 117.87 3hf9 s GLN 114 Ca 0.57 -1.29 -0.26 0.00 0.05 0.00 0.00 55.36 54.43 3hf9 s GLN 114 Cb 0.48 0.39 -0.13 0.00 1.10 0.00 0.00 33.01 34.85 3hf9 s GLN 114 CO 0.08 -0.50 1.68 0.00 -0.55 0.00 0.00 175.29 176.01 3hf9 h ALA 115 N 2.45 -0.35 -3.81 1.58 0.00 -1.92 -3.43 119.26 113.78 3hf9 h ALA 115 Ca -0.30 -0.05 -0.43 0.00 0.00 0.00 0.00 54.91 54.12 3hf9 h ALA 115 Cb 1.24 0.23 -0.31 0.00 0.00 0.00 0.00 17.79 18.95 3hf9 h ALA 115 CO 0.44 -0.72 -0.79 0.21 0.00 0.00 0.00 179.25 178.40 3hf9 s LYS 116 N -6.12 0.95 0.58 0.00 2.20 -1.26 -5.12 119.74 110.97 3hf9 s LYS 116 Ca -0.15 -0.30 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 3hf9 s LYS 116 Cb 0.06 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 3hf9 s LYS 116 CO 0.65 0.11 1.11 -2.14 -0.36 0.00 0.00 175.35 174.73 3hf9 s PRO 117 N 0.19 3.20 -0.03 4.03 0.02 -1.26 -4.79 135.00 136.36 3hf9 s PRO 117 Ca -0.03 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 3hf9 s PRO 117 Cb -0.08 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3hf9 s PRO 117 CO 0.00 -0.95 1.44 0.71 -0.33 0.00 0.00 177.00 177.88 3hf9 s TYR 118 N -2.00 2.67 -1.30 6.54 1.51 -1.26 -4.91 117.35 118.60 3hf9 s TYR 118 Ca 0.70 0.71 -0.17 0.00 -1.01 0.00 0.00 57.07 57.30 3hf9 s TYR 118 Cb -0.22 -3.70 0.01 0.00 -0.11 0.00 0.00 41.96 37.94 3hf9 s TYR 118 CO 0.32 -2.67 2.05 0.39 -1.11 0.00 0.00 175.55 174.53 3hf9 n GLU 119 N 5.88 2.65 -4.01 -0.62 1.02 -1.26 -4.73 120.64 119.57 3hf9 n GLU 119 Ca 0.14 -2.64 -0.09 0.00 -0.02 0.00 0.00 57.16 54.55 3hf9 n GLU 119 Cb 0.43 -3.31 -0.08 0.00 -0.02 0.00 0.00 31.44 28.46 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 4.21 0.13 -0.13 2.62 -7.23 -1.26 -1.74 120.40 116.99 3hf9 s VAL 120 Ca 0.52 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 3hf9 s VAL 120 Cb 0.11 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.42 3hf9 s VAL 120 CO -0.00 -0.59 0.29 -0.70 -0.31 0.00 0.00 175.10 173.79 3hf9 s GLU 121 N -3.95 0.21 0.52 4.82 2.12 -0.88 -3.40 118.70 118.13 3hf9 s GLU 121 Ca 0.13 0.73 0.06 0.00 0.36 0.00 0.00 54.97 56.26 3hf9 s GLU 121 Cb 0.06 -0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.46 3hf9 s GLU 121 CO -0.05 -0.24 0.43 -0.51 -0.54 0.00 0.00 175.26 174.36 3hf9 s LEU 122 N 2.04 2.88 -0.30 2.70 1.02 -0.69 -1.33 118.68 124.99 3hf9 s LEU 122 Ca -0.03 -1.11 -0.01 0.00 0.02 0.00 0.00 54.13 53.00 3hf9 s LEU 122 Cb -0.11 -1.39 0.19 0.00 0.02 0.00 0.00 46.19 44.89 3hf9 s LEU 122 CO -0.09 -1.03 0.59 0.00 0.02 0.00 0.00 176.35 175.84 3hf9 s VAL 124 N 2.85 5.25 -0.12 0.00 1.01 -0.39 -2.18 120.40 126.81 3hf9 s VAL 124 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 3hf9 s VAL 124 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3hf9 s VAL 124 CO -0.21 0.03 -0.04 0.00 0.00 0.00 0.00 175.10 174.88 3hf9 s ALA 125 N 1.85 3.06 -0.01 5.51 0.00 -0.48 -1.79 121.76 129.90 3hf9 s ALA 125 Ca 0.09 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3hf9 s ALA 125 Cb -0.17 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 3hf9 s ALA 125 CO 0.11 0.40 -0.22 -2.00 0.00 0.00 0.00 175.76 174.05 3hf9 s GLU 126 N -0.24 2.17 0.03 0.00 2.12 -0.71 0.15 118.70 122.22 3hf9 s GLU 126 Ca 0.04 -0.90 0.09 0.00 0.36 0.00 0.00 54.97 54.56 3hf9 s GLU 126 Cb -0.13 -2.15 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 3hf9 s GLU 126 CO 0.02 0.57 -0.25 0.08 -0.54 0.00 0.00 175.26 175.14 3hf9 s VAL 127 N -0.72 2.25 0.67 3.70 1.01 0.15 -2.56 120.40 124.90 3hf9 s VAL 127 Ca 0.11 -1.30 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 3hf9 s VAL 127 Cb -0.10 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3hf9 s VAL 127 CO 0.01 0.40 1.17 0.00 0.00 0.00 0.00 175.10 176.69 3hf9 n ALA 128 N 1.87 0.63 -0.76 5.51 0.00 -1.26 -4.78 120.51 121.72 3hf9 n ALA 128 Ca -0.17 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 3hf9 n ALA 128 Cb 0.52 -2.25 0.23 0.00 0.00 0.00 0.00 19.45 17.95 3hf9 n ALA 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hf9 s HIS 129 N -1.56 1.60 0.16 0.00 3.76 -1.26 -4.74 115.29 113.26 3hf9 s HIS 129 Ca 0.79 1.12 -0.15 0.00 -0.15 0.00 0.00 55.06 56.68 3hf9 s HIS 129 Cb -0.37 -3.16 0.05 0.00 1.11 0.00 0.00 32.58 30.21 3hf9 s HIS 129 CO 0.44 -3.55 1.80 -0.92 -0.85 0.00 0.00 174.74 171.67 3hf9 h TYR 130 N -2.38 0.64 -0.10 1.40 3.20 -1.76 -3.25 116.97 114.72 3hf9 h TYR 130 Ca -0.59 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.15 3hf9 h TYR 130 Cb 1.33 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.40 3hf9 h TYR 130 CO 0.27 0.44 -0.44 0.78 -1.64 0.00 0.00 178.16 177.57 3hf9 h GLY 131 N 0.66 0.52 -1.75 1.82 0.00 -1.90 -3.47 103.07 98.95 3hf9 h GLY 131 Ca 0.18 -0.72 -0.49 0.00 0.00 0.00 0.00 47.33 46.29 3hf9 h GLY 131 CO -0.03 0.64 0.21 -1.83 0.00 0.00 0.00 176.54 175.53 3hf9 s GLU 132 N -3.70 3.45 -0.18 4.80 -1.05 -1.23 -5.09 118.70 115.71 3hf9 s GLU 132 Ca -0.13 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 3hf9 s GLU 132 Cb 0.05 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.49 3hf9 s GLU 132 CO 0.81 -0.40 -0.17 0.95 0.95 0.00 0.00 175.26 177.40 3hf9 s THR 133 N -2.91 2.28 0.01 1.83 -4.23 -1.26 -4.33 115.64 107.03 3hf9 s THR 133 Ca 0.51 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 3hf9 s THR 133 Cb -0.11 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3hf9 s THR 133 CO 0.48 0.52 0.25 -0.75 -0.54 0.00 0.00 174.62 174.58 3hf9 s LYS 134 N 1.30 0.65 0.27 3.99 2.20 -1.26 -5.08 119.74 121.82 3hf9 s LYS 134 Ca 0.05 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.00 3hf9 s LYS 134 Cb -0.13 0.28 -0.09 0.00 -1.51 0.00 0.00 37.83 36.37 3hf9 s LYS 134 CO -0.11 -0.18 1.15 1.03 -0.36 0.00 0.00 175.35 176.87 3hf9 s ARG 135 N -1.75 4.57 0.44 4.03 0.52 -1.26 -4.43 118.95 121.07 3hf9 s ARG 135 Ca -0.11 1.88 -0.25 0.00 -0.52 0.00 0.00 55.73 56.73 3hf9 s ARG 135 Cb -0.04 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.17 3hf9 s ARG 135 CO 0.01 0.10 1.27 -2.14 0.02 0.00 0.00 175.30 174.57 3hf9 s PRO 136 N -1.31 3.79 -0.09 3.54 0.02 -1.26 -4.82 135.00 134.86 3hf9 s PRO 136 Ca 0.46 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.54 3hf9 s PRO 136 Cb -0.33 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.57 3hf9 s PRO 136 CO 0.42 -0.61 -0.05 -1.21 -0.33 0.00 0.00 177.00 175.22 3hf9 s GLU 137 N -2.46 3.03 -0.07 5.54 2.02 -1.06 -4.98 118.70 120.73 3hf9 s GLU 137 Ca 0.61 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 55.13 3hf9 s GLU 137 Cb -0.36 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 3hf9 s GLU 137 CO 0.45 0.55 -0.25 -0.51 0.02 0.00 0.00 175.26 175.52 3hf9 s LEU 138 N -0.49 2.09 -0.06 1.80 1.43 -1.26 -1.73 118.68 120.46 3hf9 s LEU 138 Ca 0.08 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3hf9 s LEU 138 Cb -0.12 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3hf9 s LEU 138 CO 0.02 0.22 -0.16 -0.31 0.23 0.00 0.00 176.35 176.36 3hf9 s TYR 139 N -0.04 1.70 -0.31 0.29 1.51 -0.74 -2.60 117.35 117.17 3hf9 s TYR 139 Ca -0.07 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 3hf9 s TYR 139 Cb -0.15 -1.18 0.08 0.00 -0.11 0.00 0.00 41.96 40.60 3hf9 s TYR 139 CO 0.05 -0.24 -0.01 0.50 -1.11 0.00 0.00 175.55 174.74 3hf9 s ARG 140 N 0.33 1.85 -0.25 -0.62 3.52 0.33 -1.26 118.95 122.85 3hf9 s ARG 140 Ca -0.10 -1.64 -0.12 0.00 -0.13 0.00 0.00 55.73 53.74 3hf9 s ARG 140 Cb -0.14 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 3hf9 s ARG 140 CO 0.04 -0.79 0.21 0.42 -0.81 0.00 0.00 175.30 174.37 3hf9 s ILE 141 N 1.01 5.31 0.53 4.11 1.09 -1.08 -2.74 121.20 129.44 3hf9 s ILE 141 Ca 0.02 0.26 0.06 0.00 -1.10 0.00 0.00 60.65 59.89 3hf9 s ILE 141 Cb -0.20 -3.55 0.05 0.00 -1.06 0.00 0.00 42.46 37.71 3hf9 s ILE 141 CO -0.06 0.28 0.74 0.42 -0.10 0.00 0.00 174.94 176.22 3hf9 s THR 142 N 1.43 2.58 -0.73 2.92 -4.23 -0.15 -1.70 115.64 115.75 3hf9 s THR 142 Ca 0.09 -0.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.80 3hf9 s THR 142 Cb -0.15 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.04 3hf9 s THR 142 CO 0.08 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.33 3hf9 n TYR 143 N -2.21 0.21 0.51 3.99 4.11 -1.22 -1.90 117.16 120.65 3hf9 n TYR 143 Ca 0.11 0.11 0.08 0.00 -0.00 0.00 0.00 57.90 58.20 3hf9 n TYR 143 Cb 0.60 -0.66 0.10 0.00 -0.00 0.00 0.00 39.34 39.38 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 -1.71 2.55 0.00 9.48 5.68 -1.26 -4.53 116.55 126.76 3hf9 n ASP 144 Ca -0.00 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 3hf9 n ASP 144 Cb 0.03 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 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 0.93 0.77 3.66 6.12 0.00 -0.80 -4.06 105.19 111.81 3hf9 n GLY 145 Ca 0.11 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 -2.43 6.98 0.15 1.61 0.01 -1.25 -4.77 113.70 113.99 3hf9 s SER 146 Ca 0.00 1.22 0.10 0.00 1.31 0.00 0.00 55.95 58.58 3hf9 s SER 146 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 3hf9 s SER 146 CO 0.00 -0.55 -0.18 -0.51 0.41 0.00 0.00 173.24 172.41 3hf9 s ILE 147 N 2.79 2.78 -0.09 1.44 2.07 -1.26 -0.98 121.20 127.94 3hf9 s ILE 147 Ca 0.40 -1.66 -0.30 0.00 -1.41 0.00 0.00 60.65 57.68 3hf9 s ILE 147 Cb -0.16 -2.30 0.08 0.00 0.13 0.00 0.00 42.46 40.21 3hf9 s ILE 147 CO 0.08 0.01 0.75 0.00 -1.91 0.00 0.00 174.94 173.88 3hf9 s ALA 148 N -1.35 -1.80 -0.16 1.50 0.00 -1.11 -5.00 121.76 113.83 3hf9 s ALA 148 Ca 0.20 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3hf9 s ALA 148 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3hf9 s ALA 148 CO 0.11 -0.35 -0.15 0.16 0.00 0.00 0.00 175.76 175.52 3hf9 s ASP 149 N -1.02 3.64 -0.17 0.00 -4.77 -1.26 -0.52 116.67 112.58 3hf9 s ASP 149 Ca -0.08 -0.49 -0.04 0.00 -3.30 0.00 0.00 52.55 48.64 3hf9 s ASP 149 Cb -0.01 -1.57 -0.03 0.00 -1.09 0.00 0.00 42.92 40.23 3hf9 s ASP 149 CO 0.07 0.07 -0.03 -1.61 0.70 0.00 0.00 175.17 174.37 3hf9 s GLU 150 N 0.92 3.64 0.18 2.11 8.01 -1.07 -4.98 118.70 127.51 3hf9 s GLU 150 Ca -0.03 -0.53 -0.11 0.00 0.01 0.00 0.00 54.97 54.31 3hf9 s GLU 150 Cb -0.15 -2.96 0.08 0.00 -4.31 0.00 0.00 34.13 26.79 3hf9 s GLU 150 CO -0.02 0.16 1.71 -1.35 0.01 0.00 0.00 175.26 175.77 3hf9 h PRO 151 N 6.98 0.96 0.03 0.39 0.11 -1.93 -3.36 132.00 135.17 3hf9 h PRO 151 Ca -0.33 -0.20 -0.39 0.00 0.11 0.00 0.00 66.00 65.19 3hf9 h PRO 151 Cb 1.19 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 3hf9 h PRO 151 CO 0.62 0.84 -2.32 0.72 -0.21 0.00 0.00 178.00 177.65 3hf9 n HIS 152 N -4.39 0.33 -3.54 0.65 8.25 -1.26 -4.79 115.22 110.47 3hf9 n HIS 152 Ca 0.04 0.08 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 3hf9 n HIS 152 Cb 0.21 -1.04 -0.03 0.00 1.12 0.00 0.00 29.99 30.24 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 -2.52 -0.37 0.04 4.41 -0.12 -1.26 -1.22 117.98 116.94 3hf9 s PHE 153 Ca -0.33 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.70 3hf9 s PHE 153 Cb 0.09 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 3hf9 s PHE 153 CO 0.62 -0.80 -0.14 0.08 -0.05 0.00 0.00 175.22 174.93 3hf9 s VAL 154 N -3.78 1.06 -0.03 -2.49 1.01 0.14 -4.79 120.40 111.52 3hf9 s VAL 154 Ca 0.03 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3hf9 s VAL 154 Cb 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3hf9 s VAL 154 CO -0.12 -0.01 -0.13 -0.69 0.00 0.00 0.00 175.10 174.15 3hf9 s VAL 155 N -0.86 1.12 0.03 2.92 1.01 -1.26 -1.22 120.40 122.15 3hf9 s VAL 155 Ca 0.01 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3hf9 s VAL 155 Cb -0.08 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3hf9 s VAL 155 CO 0.01 0.33 -0.09 -0.04 0.00 0.00 0.00 175.10 175.31 3hf9 s MET 156 N 0.00 0.60 0.13 2.72 -1.94 0.42 -4.98 119.30 116.25 3hf9 s MET 156 Ca -0.01 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 3hf9 s MET 156 Cb -0.09 -0.48 0.00 0.00 2.01 0.00 0.00 34.83 36.27 3hf9 s MET 156 CO 0.01 0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.54 3hf9 n GLY 157 N 1.85 -2.69 7.00 -0.03 0.00 -1.26 -0.78 105.19 109.29 3hf9 n GLY 157 Ca -0.20 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.55 1.01 3.51 -0.02 0.00 0.14 -4.21 105.19 103.06 3hf9 n GLY 158 Ca -0.02 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 4.73 0.05 2.61 -4.23 -1.26 -4.42 115.64 113.12 3hf9 s THR 159 Ca 0.00 0.06 0.09 0.00 -1.18 0.00 0.00 61.69 60.66 3hf9 s THR 159 Cb 0.00 -4.30 -0.22 0.00 1.34 0.00 0.00 72.50 69.32 3hf9 s THR 159 CO 0.00 -0.75 1.01 0.71 -0.54 0.00 0.00 174.62 175.04 3hf9 h THR 160 N 5.92 1.33 -0.19 3.99 1.35 -1.94 -3.40 112.91 119.96 3hf9 h THR 160 Ca -0.26 -3.10 0.05 0.00 -0.55 0.00 0.00 66.41 62.55 3hf9 h THR 160 Cb 1.09 2.66 -0.06 0.00 -1.73 0.00 0.00 68.15 70.11 3hf9 h THR 160 CO 0.95 0.76 -0.19 -0.33 -0.25 0.00 0.00 175.52 176.46 3hf9 h GLU 161 N 0.00 -0.21 0.00 4.72 3.07 -1.95 -0.72 114.58 119.50 3hf9 h GLU 161 Ca -0.13 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 3hf9 h GLU 161 Cb 1.88 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.83 3hf9 h GLU 161 CO 0.11 -0.14 -0.21 -1.35 -1.40 0.00 0.00 179.01 176.02 3hf9 h PRO 162 N -0.21 0.00 0.17 2.33 0.11 -1.90 -2.02 132.00 130.48 3hf9 h PRO 162 Ca 0.12 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.97 3hf9 h PRO 162 Cb 0.39 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.52 3hf9 h PRO 162 CO -0.32 0.21 -1.23 0.82 -0.21 0.00 0.00 178.00 177.27 3hf9 h ILE 163 N 0.00 1.27 -0.64 4.15 2.04 -1.66 -3.10 117.51 119.57 3hf9 h ILE 163 Ca -0.00 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.31 3hf9 h ILE 163 Cb 0.45 2.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.49 3hf9 h ILE 163 CO 0.03 0.75 0.38 0.00 0.00 0.00 0.00 178.15 179.31 3hf9 h ALA 164 N 0.07 1.46 -0.29 1.87 0.00 -0.90 -1.50 119.26 119.96 3hf9 h ALA 164 Ca -0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3hf9 h ALA 164 Cb 1.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3hf9 h ALA 164 CO 0.16 0.46 0.14 -0.91 0.00 0.00 0.00 179.25 179.10 3hf9 h ASN 165 N 0.88 0.38 0.03 0.00 2.35 -1.47 -0.42 115.58 117.33 3hf9 h ASN 165 Ca 0.23 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3hf9 h ASN 165 Cb -0.02 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3hf9 h ASN 165 CO -0.04 0.40 -0.02 0.00 -1.65 0.00 0.00 177.43 176.13 3hf9 h ALA 166 N 0.99 -0.04 0.05 -0.83 0.00 -1.34 -2.12 119.26 115.97 3hf9 h ALA 166 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 166 Cb 0.12 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3hf9 h ALA 166 CO -0.01 -0.52 -0.49 -0.07 0.00 0.00 0.00 179.25 178.16 3hf9 h LEU 167 N -0.05 -1.49 -0.68 0.00 3.38 -1.29 -0.04 115.31 115.14 3hf9 h LEU 167 Ca -0.00 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3hf9 h LEU 167 Cb 0.04 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3hf9 h LEU 167 CO 0.01 -0.49 -0.40 0.29 0.09 0.00 0.00 178.44 177.93 3hf9 n LYS 168 N -5.20 -0.30 0.00 1.13 5.02 -0.17 -0.69 118.16 117.95 3hf9 n LYS 168 Ca -0.07 1.10 0.14 0.00 -2.02 0.00 0.00 58.31 57.45 3hf9 n LYS 168 Cb 0.37 -1.61 0.53 0.00 -0.02 0.00 0.00 35.03 34.30 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 -4.73 1.04 -0.08 1.97 0.28 -0.85 -3.78 120.64 114.49 3hf9 n GLU 169 Ca 0.01 -0.51 0.08 0.00 -0.16 0.00 0.00 57.16 56.58 3hf9 n GLU 169 Cb 0.18 -1.49 0.11 0.00 1.43 0.00 0.00 31.44 31.66 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 -0.54 2.14 -4.04 -1.84 3.41 0.13 -4.99 113.62 107.90 3hf9 n SER 170 Ca 0.16 -2.82 -0.32 0.00 -0.26 0.00 0.00 58.87 55.63 3hf9 n SER 170 Cb 0.31 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.37 2.98 0.06 7.33 5.04 0.11 -4.92 117.35 125.58 3hf9 s TYR 171 Ca 0.24 -2.09 0.03 0.00 -2.44 0.00 0.00 57.07 52.81 3hf9 s TYR 171 Cb 0.21 -1.83 -0.04 0.00 0.35 0.00 0.00 41.96 40.65 3hf9 s TYR 171 CO 0.02 -0.84 0.07 0.00 -1.34 0.00 0.00 175.55 173.46 3hf9 s ALA 172 N 1.20 3.52 0.95 3.97 0.00 -1.26 -4.95 121.76 125.18 3hf9 s ALA 172 Ca -0.07 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3hf9 s ALA 172 Cb -0.19 -1.43 0.18 0.00 0.00 0.00 0.00 23.12 21.68 3hf9 s ALA 172 CO -0.06 0.73 1.26 -1.83 0.00 0.00 0.00 175.76 175.86 3hf9 s GLU 173 N -2.21 0.81 -1.05 0.00 -1.05 -1.26 -4.09 118.70 109.84 3hf9 s GLU 173 Ca 0.27 -0.23 -0.09 0.00 -0.15 0.00 0.00 54.97 54.77 3hf9 s GLU 173 Cb -0.12 -1.85 0.08 0.00 -0.44 0.00 0.00 34.13 31.80 3hf9 s GLU 173 CO 0.19 -2.33 0.34 0.09 0.95 0.00 0.00 175.26 174.51 3hf9 n ASN 174 N -3.75 -2.60 -4.74 0.83 5.03 -1.26 -4.88 115.26 103.89 3hf9 n ASN 174 Ca 0.13 -0.29 -0.31 0.00 0.87 0.00 0.00 54.58 54.98 3hf9 n ASN 174 Cb 0.60 -2.23 0.11 0.00 -1.02 0.00 0.00 39.78 37.24 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 -2.73 2.03 0.96 5.41 0.00 -1.26 -4.19 121.76 121.98 3hf9 s ALA 175 Ca 0.36 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 3hf9 s ALA 175 Cb -0.20 -3.33 0.17 0.00 0.00 0.00 0.00 23.12 19.76 3hf9 s ALA 175 CO 0.44 -2.06 1.12 0.45 0.00 0.00 0.00 175.76 175.71 3hf9 s SER 176 N -3.16 2.60 0.08 0.00 0.15 -1.26 -2.61 113.70 109.51 3hf9 s SER 176 Ca 0.63 2.04 -0.27 0.00 0.70 0.00 0.00 55.95 59.05 3hf9 s SER 176 Cb -0.19 -2.51 -0.16 0.00 -1.71 0.00 0.00 66.02 61.45 3hf9 s SER 176 CO 0.56 -3.28 1.69 0.25 1.20 0.00 0.00 173.24 173.67 3hf9 h LEU 177 N -1.99 -0.34 -0.99 3.45 5.85 -1.98 0.14 115.31 119.45 3hf9 h LEU 177 Ca -0.47 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3hf9 h LEU 177 Cb 1.28 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3hf9 h LEU 177 CO 0.44 -0.24 0.66 0.00 -0.34 0.00 0.00 178.44 178.96 3hf9 h THR 178 N -0.38 1.24 -0.75 1.05 1.03 -1.91 0.25 112.91 113.43 3hf9 h THR 178 Ca -0.03 -0.46 -0.03 0.00 -0.01 0.00 0.00 66.41 65.88 3hf9 h THR 178 Cb 0.30 -0.21 -0.03 0.00 -1.07 0.00 0.00 68.15 67.14 3hf9 h THR 178 CO 0.05 0.24 0.36 0.44 -0.01 0.00 0.00 175.52 176.61 3hf9 h ASP 179 N 1.33 0.99 -0.76 0.00 3.45 -1.87 -2.38 116.42 117.17 3hf9 h ASP 179 Ca 0.37 -0.13 -0.06 0.00 0.43 0.00 0.00 57.03 57.64 3hf9 h ASP 179 Cb -0.13 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.36 3hf9 h ASP 179 CO -0.09 0.84 0.25 0.00 -1.57 0.00 0.00 179.24 178.67 3hf9 h ALA 180 N 1.18 1.00 -0.47 3.45 0.00 0.59 -2.38 119.26 122.64 3hf9 h ALA 180 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 180 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hf9 h ALA 180 CO -0.03 0.67 0.23 1.25 0.00 0.00 0.00 179.25 181.37 3hf9 h LEU 181 N 1.13 0.61 0.43 0.00 5.85 -0.10 -1.31 115.31 121.91 3hf9 h LEU 181 Ca 0.25 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3hf9 h LEU 181 Cb 0.29 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hf9 h LEU 181 CO -0.01 0.56 -0.21 0.03 -0.34 0.00 0.00 178.44 178.47 3hf9 h ARG 182 N 0.62 -0.55 -0.73 1.25 3.08 -1.34 -0.70 114.38 116.00 3hf9 h ARG 182 Ca 0.16 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.41 3hf9 h ARG 182 Cb 0.10 0.13 -0.12 0.00 0.08 0.00 0.00 29.97 30.16 3hf9 h ARG 182 CO -0.02 -0.31 0.03 0.82 -1.07 0.00 0.00 179.97 179.42 3hf9 h ILE 183 N -0.69 0.39 -0.17 2.04 2.04 -1.34 0.48 117.51 120.26 3hf9 h ILE 183 Ca -0.06 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 3hf9 h ILE 183 Cb 0.50 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3hf9 h ILE 183 CO 0.10 0.02 -0.35 0.00 0.00 0.00 0.00 178.15 177.92 3hf9 h ALA 184 N 1.67 0.27 -0.51 1.87 0.00 -1.10 0.22 119.26 121.68 3hf9 h ALA 184 Ca 0.40 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hf9 h ALA 184 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3hf9 h ALA 184 CO -0.62 0.33 -0.14 0.28 0.00 0.00 0.00 179.25 179.10 3hf9 h VAL 185 N 0.18 1.27 0.32 0.00 2.07 -0.44 -1.81 116.25 117.83 3hf9 h VAL 185 Ca 0.00 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3hf9 h VAL 185 Cb 0.95 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3hf9 h VAL 185 CO 0.08 0.45 -0.25 0.00 0.02 0.00 0.00 177.57 177.87 3hf9 h ALA 186 N 0.90 -0.56 -0.89 1.67 0.00 -0.02 -2.20 119.26 118.16 3hf9 h ALA 186 Ca 0.13 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.15 3hf9 h ALA 186 Cb 0.71 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3hf9 h ALA 186 CO 0.05 -0.84 0.60 0.00 0.00 0.00 0.00 179.25 179.06 3hf9 h ALA 187 N 0.04 2.33 -0.16 0.00 0.00 -0.80 -0.72 119.26 119.95 3hf9 h ALA 187 Ca -0.02 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3hf9 h ALA 187 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hf9 h ALA 187 CO -0.01 -0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 178.07 3hf9 h LEU 188 N 0.32 0.46 -0.25 0.00 3.38 -0.73 -3.30 115.31 115.19 3hf9 h LEU 188 Ca 0.45 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hf9 h LEU 188 Cb 1.26 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3hf9 h LEU 188 CO -0.14 0.87 -0.33 0.03 0.09 0.00 0.00 178.44 178.96 3hf9 h ARG 189 N 0.34 -0.22 0.00 1.13 3.08 -0.69 -3.48 114.38 114.54 3hf9 h ARG 189 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hf9 h ARG 189 Cb 0.98 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3hf9 h ARG 189 CO 0.09 -0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 3hf9 n ALA 190 N -2.94 0.83 0.00 0.04 0.00 -1.24 -5.09 120.51 112.11 3hf9 n ALA 190 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hf9 n ALA 190 Cb 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.47 0.00 -0.80 0.00 0.24 -1.26 -4.71 118.33 111.33 3hf9 n VAL 205 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 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 1.45 -0.81 2.33 0.00 -1.26 -4.65 120.51 117.57 3hf9 n ALA 206 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 53.44 52.72 3hf9 n ALA 206 Cb 0.00 -0.06 0.17 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.22 2.97 -4.44 0.00 3.41 -1.26 -4.77 113.62 109.31 3hf9 n SER 207 Ca 0.01 -2.81 -0.29 0.00 -0.26 0.00 0.00 58.87 55.52 3hf9 n SER 207 Cb 0.45 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.42 2.49 -0.16 1.04 1.43 -1.24 -0.25 118.68 119.56 3hf9 s LEU 208 Ca 0.31 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3hf9 s LEU 208 Cb 0.25 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 3hf9 s LEU 208 CO 0.06 0.16 -0.08 -1.61 0.23 0.00 0.00 176.35 175.12 3hf9 s GLU 209 N -2.26 3.47 -0.03 1.70 2.02 -0.26 -4.80 118.70 118.55 3hf9 s GLU 209 Ca 0.17 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3hf9 s GLU 209 Cb -0.10 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.32 3hf9 s GLU 209 CO 0.09 0.11 -0.10 0.08 0.02 0.00 0.00 175.26 175.46 3hf9 s VAL 210 N 0.67 0.84 0.17 2.63 1.01 -1.26 -1.66 120.40 122.80 3hf9 s VAL 210 Ca -0.04 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 3hf9 s VAL 210 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3hf9 s VAL 210 CO 0.02 0.26 0.40 0.00 0.00 0.00 0.00 175.10 175.79 3hf9 s ALA 211 N 0.20 -0.54 -0.00 5.51 0.00 -0.64 -2.05 121.76 124.24 3hf9 s ALA 211 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 3hf9 s ALA 211 Cb -0.09 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 3hf9 s ALA 211 CO 0.01 -0.72 0.10 0.14 0.00 0.00 0.00 175.76 175.29 3hf9 s VAL 212 N -3.90 0.07 -0.44 0.00 -7.23 -0.03 0.04 120.40 108.91 3hf9 s VAL 212 Ca 0.12 -0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 3hf9 s VAL 212 Cb 0.01 -0.34 0.03 0.00 0.56 0.00 0.00 36.38 36.64 3hf9 s VAL 212 CO -0.03 -0.33 0.49 -0.76 -0.31 0.00 0.00 175.10 174.17 3hf9 s LEU 213 N -1.11 4.90 -0.48 1.32 1.02 0.91 -2.11 118.68 123.14 3hf9 s LEU 213 Ca -0.12 -0.73 -0.19 0.00 0.02 0.00 0.00 54.13 53.11 3hf9 s LEU 213 Cb -0.07 -2.42 0.05 0.00 0.02 0.00 0.00 46.19 43.77 3hf9 s LEU 213 CO 0.01 -0.67 0.57 -0.62 0.02 0.00 0.00 176.35 175.66 3hf9 s ASP 214 N 2.06 6.22 0.00 2.29 -1.08 0.16 -2.42 116.67 123.91 3hf9 s ASP 214 Ca 0.13 -0.83 0.08 0.00 -0.52 0.00 0.00 52.55 51.42 3hf9 s ASP 214 Cb -0.18 -2.27 0.39 0.00 -1.46 0.00 0.00 42.92 39.40 3hf9 s ASP 214 CO 0.13 -0.80 1.17 0.00 0.52 0.00 0.00 175.17 176.20 3hf9 n ALA 215 N 5.99 1.49 0.04 3.66 0.00 -1.13 -1.95 120.51 128.62 3hf9 n ALA 215 Ca -0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3hf9 n ALA 215 Cb 0.46 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 3hf9 n ALA 215 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3hf9 h ASN 216 N 0.00 0.12 -3.89 0.00 -1.24 -1.91 -3.39 115.58 105.27 3hf9 h ASN 216 Ca 0.00 -0.16 -0.53 0.00 0.71 0.00 0.00 56.30 56.32 3hf9 h ASN 216 Cb 0.10 -0.04 0.08 0.00 0.73 0.00 0.00 38.32 39.19 3hf9 h ASN 216 CO 0.00 1.13 0.70 -0.13 -1.29 0.00 0.00 177.43 177.84 3hf9 s ARG 217 N -2.66 4.25 0.11 6.67 0.52 -0.82 -4.96 118.95 122.06 3hf9 s ARG 217 Ca -0.03 2.37 -0.19 0.00 -0.52 0.00 0.00 55.73 57.36 3hf9 s ARG 217 Cb 0.09 -3.03 -0.07 0.00 0.52 0.00 0.00 34.95 32.46 3hf9 s ARG 217 CO 0.83 -0.34 1.69 -1.35 0.02 0.00 0.00 175.30 176.15 3hf9 h PRO 218 N 3.27 0.34 0.00 3.54 0.11 -1.88 -3.41 132.00 133.97 3hf9 h PRO 218 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3hf9 h PRO 218 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hf9 h PRO 218 CO 0.65 0.34 -0.00 -2.13 -0.21 0.00 0.00 178.00 176.65 3hf9 n ARG 219 N -4.84 0.00 -2.80 1.05 0.63 -1.26 -4.27 116.66 105.18 3hf9 n ARG 219 Ca -0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.48 3hf9 n ARG 219 Cb 0.09 -0.14 -0.03 0.00 0.45 0.00 0.00 32.46 32.83 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 -1.26 4.13 0.01 -0.14 0.52 -1.26 -4.28 118.95 116.66 3hf9 s ARG 220 Ca -0.00 0.98 0.23 0.00 -0.52 0.00 0.00 55.73 56.42 3hf9 s ARG 220 Cb 0.00 -3.68 0.14 0.00 0.52 0.00 0.00 34.95 31.92 3hf9 s ARG 220 CO 0.00 -0.66 1.14 0.00 0.02 0.00 0.00 175.30 175.81 3hf9 n ALA 221 N 6.30 4.01 -2.71 2.13 0.00 0.34 -4.81 120.51 125.77 3hf9 n ALA 221 Ca 0.08 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 3hf9 n ALA 221 Cb 0.47 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 3hf9 n ALA 221 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hf9 s PHE 222 N -3.03 3.55 -0.14 0.00 5.36 -1.25 0.38 117.98 122.85 3hf9 s PHE 222 Ca 0.09 1.29 -0.08 0.00 -0.96 0.00 0.00 56.93 57.26 3hf9 s PHE 222 Cb 0.16 -2.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.02 3hf9 s PHE 222 CO 0.79 0.01 0.34 0.50 -1.46 0.00 0.00 175.22 175.40 3hf9 s ARG 223 N 1.09 0.32 0.69 10.12 3.52 -0.90 -4.98 118.95 128.82 3hf9 s ARG 223 Ca 0.39 0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 56.61 3hf9 s ARG 223 Cb -0.18 -0.02 0.10 0.00 -1.56 0.00 0.00 34.95 33.29 3hf9 s ARG 223 CO 0.18 -0.14 0.97 1.03 -0.81 0.00 0.00 175.30 176.53 3hf9 s ARG 224 N 1.14 1.91 -0.22 5.12 0.52 -1.26 -0.85 118.95 125.30 3hf9 s ARG 224 Ca -0.08 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 3hf9 s ARG 224 Cb -0.08 -2.30 0.08 0.00 0.52 0.00 0.00 34.95 33.17 3hf9 s ARG 224 CO -0.09 -1.30 0.13 0.42 0.02 0.00 0.00 175.30 174.48 3hf9 s ILE 225 N -3.12 -0.12 -0.26 1.52 1.01 -0.87 -4.88 121.20 114.48 3hf9 s ILE 225 Ca 0.63 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 3hf9 s ILE 225 Cb -0.07 -0.75 -0.12 0.00 0.01 0.00 0.00 42.46 41.53 3hf9 s ILE 225 CO 0.44 -0.45 -0.32 0.41 0.00 0.00 0.00 174.94 175.01 3hf9 n THR 226 N 5.27 1.42 0.00 2.92 -1.04 -1.26 -4.38 114.28 117.21 3hf9 n THR 226 Ca -0.06 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 3hf9 n THR 226 Cb 0.46 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 1.46 3.03 0.37 3.41 0.00 -1.26 -4.83 105.19 107.38 3hf9 n GLY 227 Ca -0.50 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.28 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hf9 h SER 228 N 0.00 0.67 -0.64 1.61 0.02 -1.99 -0.80 113.55 112.42 3hf9 h SER 228 Ca 0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3hf9 h SER 228 Cb 0.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3hf9 h SER 228 CO 0.00 0.28 0.25 0.00 -1.14 0.00 0.00 176.83 176.22 3hf9 h ALA 229 N 1.61 0.83 -0.76 3.77 0.00 -1.97 -1.77 119.26 120.98 3hf9 h ALA 229 Ca 0.52 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3hf9 h ALA 229 Cb 0.91 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3hf9 h ALA 229 CO -0.28 0.46 0.28 1.25 0.00 0.00 0.00 179.25 180.95 3hf9 h LEU 230 N 0.90 1.06 -0.98 0.00 5.85 -1.45 -2.19 115.31 118.50 3hf9 h LEU 230 Ca 0.21 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hf9 h LEU 230 Cb 0.22 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3hf9 h LEU 230 CO -0.02 0.96 0.44 -0.61 -0.34 0.00 0.00 178.44 178.87 3hf9 h GLN 231 N 1.11 1.16 -0.92 1.25 5.75 -1.06 -2.54 115.11 119.86 3hf9 h GLN 231 Ca 0.25 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3hf9 h GLN 231 Cb 0.25 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3hf9 h GLN 231 CO -0.02 0.86 0.53 0.00 -2.65 0.00 0.00 178.83 177.55 3hf9 h ALA 232 N 1.32 1.21 -0.84 3.38 0.00 -0.70 -2.78 119.26 120.85 3hf9 h ALA 232 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 232 Cb 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3hf9 h ALA 232 CO -0.04 0.66 0.40 -0.07 0.00 0.00 0.00 179.25 180.19 3hf9 h LEU 233 N 1.28 1.10 0.00 0.00 4.07 -1.14 -3.52 115.31 117.10 3hf9 h LEU 233 Ca 0.33 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.15 3hf9 h LEU 233 Cb -0.02 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.44 3hf9 h LEU 233 CO -0.06 0.93 0.00 0.18 -1.08 0.00 0.00 178.44 178.41