#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 1.15 -0.56 5.31 4.15 -2.05 -0.55 115.11 122.57 3hf9 h GLN 11 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 3hf9 h GLN 11 Cb 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 3hf9 h GLN 11 CO 0.00 0.90 0.25 0.00 -1.93 0.00 0.00 178.83 178.05 3hf9 h ALA 12 N 1.26 0.72 -0.70 3.38 0.00 -2.05 0.11 119.26 121.99 3hf9 h ALA 12 Ca 0.27 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hf9 h ALA 12 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3hf9 h ALA 12 CO -0.03 0.31 0.23 1.98 0.00 0.00 0.00 179.25 181.73 3hf9 h MET 13 N 0.76 1.08 -0.80 0.00 4.05 -1.93 -1.04 114.93 117.05 3hf9 h MET 13 Ca 0.19 -0.23 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 3hf9 h MET 13 Cb 0.15 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 3hf9 h MET 13 CO -0.02 0.92 0.34 0.00 0.23 0.00 0.00 176.91 178.39 3hf9 h ARG 14 N 1.02 1.17 -0.49 0.39 3.08 -0.66 -0.60 114.38 118.29 3hf9 h ARG 14 Ca 0.23 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hf9 h ARG 14 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hf9 h ARG 14 CO -0.01 0.93 0.20 1.49 -1.07 0.00 0.00 179.97 181.51 3hf9 h GLU 15 N 1.15 0.73 -0.73 0.04 4.81 -0.43 -0.12 114.58 120.02 3hf9 h GLU 15 Ca 0.27 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3hf9 h GLU 15 Cb 0.17 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3hf9 h GLU 15 CO -0.03 0.65 0.35 0.00 -0.73 0.00 0.00 179.01 179.25 3hf9 h ARG 16 N 0.65 1.05 -0.72 1.92 3.08 -0.71 -0.44 114.38 119.21 3hf9 h ARG 16 Ca 0.16 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hf9 h ARG 16 Cb 0.19 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3hf9 h ARG 16 CO -0.01 0.82 0.42 1.03 -1.07 0.00 0.00 179.97 181.16 3hf9 h SER 17 N 1.03 0.88 -0.59 7.04 0.87 -0.63 -0.56 113.55 121.58 3hf9 h SER 17 Ca 0.25 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3hf9 h SER 17 Cb 0.12 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3hf9 h SER 17 CO -0.03 0.70 0.13 -0.08 -0.53 0.00 0.00 176.83 177.01 3hf9 h GLU 18 N 0.98 0.95 -0.80 2.24 4.57 -0.54 2.58 114.58 124.57 3hf9 h GLU 18 Ca 0.25 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3hf9 h GLU 18 Cb -0.00 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 3hf9 h GLU 18 CO -0.04 0.89 0.43 1.25 -1.18 0.00 0.00 179.01 180.35 3hf9 h LEU 19 N 0.86 1.01 -0.01 1.64 5.85 -0.66 0.53 115.31 124.53 3hf9 h LEU 19 Ca 0.18 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3hf9 h LEU 19 Cb 0.37 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hf9 h LEU 19 CO 0.01 0.83 -0.22 0.00 -0.34 0.00 0.00 178.44 178.72 3hf9 h ALA 20 N 1.22 0.04 0.00 1.25 0.00 -0.62 -2.59 119.26 118.56 3hf9 h ALA 20 Ca 0.28 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hf9 h ALA 20 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hf9 h ALA 20 CO -0.04 0.06 -0.14 -0.09 0.00 0.00 0.00 179.25 179.04 3hf9 h ARG 21 N -0.50 0.00 0.18 0.00 2.43 0.47 -2.26 114.38 114.70 3hf9 h ARG 21 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3hf9 h ARG 21 Cb 0.95 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3hf9 h ARG 21 CO 0.04 0.14 -0.09 0.87 -1.51 0.00 0.00 179.97 179.42 3hf9 h LYS 22 N 0.00 -0.23 -0.70 0.20 1.57 0.03 -2.61 116.57 114.83 3hf9 h LYS 22 Ca -0.00 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3hf9 h LYS 22 Cb 0.26 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3hf9 h LYS 22 CO 0.02 0.18 0.47 0.78 -0.57 0.00 0.00 179.45 180.33 3hf9 h GLY 23 N -0.87 0.59 1.41 3.86 0.00 -1.35 -0.41 103.07 106.29 3hf9 h GLY 23 Ca -0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 46.97 3hf9 h GLY 23 CO 0.04 0.06 -0.61 -2.22 0.00 0.00 0.00 176.54 173.81 3hf9 h ILE 24 N 0.36 1.32 0.00 2.60 2.04 -1.48 -3.03 117.51 119.33 3hf9 h ILE 24 Ca 0.34 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3hf9 h ILE 24 Cb 0.81 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3hf9 h ILE 24 CO -0.10 0.58 0.00 0.00 0.00 0.00 0.00 178.15 178.64 3hf9 n ALA 25 N -2.54 1.94 0.90 1.87 0.00 -0.21 -1.66 120.51 120.82 3hf9 n ALA 25 Ca -0.04 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.41 3hf9 n ALA 25 Cb 0.65 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 3hf9 n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hf9 n ARG 26 N -1.32 0.92 -2.62 0.00 1.74 -0.94 -4.06 116.66 110.37 3hf9 n ARG 26 Ca 0.08 -0.29 -0.21 0.00 -0.77 0.00 0.00 57.85 56.65 3hf9 n ARG 26 Cb 0.15 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3hf9 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hf9 s ALA 27 N -2.63 3.86 0.53 7.54 0.00 -1.05 -4.90 121.76 125.11 3hf9 s ALA 27 Ca 0.10 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 3hf9 s ALA 27 Cb 0.15 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 3hf9 s ALA 27 CO 0.70 -0.82 1.18 0.15 0.00 0.00 0.00 175.76 176.97 3hf9 s LYS 28 N -4.81 3.35 0.39 0.00 -0.14 -1.26 -1.98 119.74 115.30 3hf9 s LYS 28 Ca 0.58 1.77 -0.09 0.00 -1.36 0.00 0.00 55.97 56.87 3hf9 s LYS 28 Cb -0.10 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 3hf9 s LYS 28 CO 0.39 -0.88 0.72 -1.12 -0.76 0.00 0.00 175.35 173.70 3hf9 s SER 29 N -1.53 6.48 0.00 2.83 0.01 -1.26 -4.35 113.70 115.88 3hf9 s SER 29 Ca 0.71 1.02 0.00 0.00 1.31 0.00 0.00 55.95 59.00 3hf9 s SER 29 Cb -0.28 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 3hf9 s SER 29 CO 0.32 -0.37 -0.01 -0.69 0.41 0.00 0.00 173.24 172.90 3hf9 s VAL 30 N -2.34 0.08 -0.01 3.43 1.01 0.08 -2.40 120.40 120.26 3hf9 s VAL 30 Ca 0.49 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3hf9 s VAL 30 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3hf9 s VAL 30 CO 0.32 -0.10 -0.12 -0.69 0.00 0.00 0.00 175.10 174.51 3hf9 s VAL 31 N -0.34 0.94 -0.06 2.92 1.01 0.57 -1.32 120.40 124.13 3hf9 s VAL 31 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3hf9 s VAL 31 Cb -0.02 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hf9 s VAL 31 CO -0.00 0.24 -0.04 0.00 0.00 0.00 0.00 175.10 175.30 3hf9 s ALA 32 N -0.33 0.80 0.02 5.51 0.00 -0.53 -0.70 121.76 126.52 3hf9 s ALA 32 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 3hf9 s ALA 32 Cb -0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3hf9 s ALA 32 CO -0.00 -0.19 0.00 -0.48 0.00 0.00 0.00 175.76 175.09 3hf9 s LEU 33 N 1.32 2.09 0.18 0.00 2.34 -0.35 0.09 118.68 124.35 3hf9 s LEU 33 Ca -0.04 -0.42 -0.30 0.00 0.06 0.00 0.00 54.13 53.43 3hf9 s LEU 33 Cb -0.14 0.21 -0.08 0.00 -0.56 0.00 0.00 46.19 45.63 3hf9 s LEU 33 CO -0.02 -0.30 0.97 0.00 -1.06 0.00 0.00 176.35 175.94 3hf9 s ALA 34 N -1.38 3.31 0.35 1.48 0.00 -0.28 -0.51 121.76 124.73 3hf9 s ALA 34 Ca -0.15 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.49 3hf9 s ALA 34 Cb -0.09 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3hf9 s ALA 34 CO -0.00 0.05 0.18 1.52 0.00 0.00 0.00 175.76 177.51 3hf9 s TYR 35 N -0.59 1.72 0.28 0.00 -0.85 0.23 -4.49 117.35 113.64 3hf9 s TYR 35 Ca 0.44 -1.42 -0.02 0.00 -0.52 0.00 0.00 57.07 55.55 3hf9 s TYR 35 Cb -0.25 -0.94 0.41 0.00 0.38 0.00 0.00 41.96 41.56 3hf9 s TYR 35 CO 0.32 -0.53 1.91 0.00 -1.52 0.00 0.00 175.55 175.73 3hf9 h ALA 36 N 2.02 1.41 -0.01 9.51 0.00 -1.49 -2.65 119.26 128.04 3hf9 h ALA 36 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hf9 h ALA 36 Cb 1.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 36 CO 0.49 0.48 -0.11 0.41 0.00 0.00 0.00 179.25 180.53 3hf9 n GLY 37 N -1.38 -0.46 0.00 0.00 0.00 -1.26 -5.02 105.19 97.06 3hf9 n GLY 37 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hf9 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 38 N 1.24 0.38 3.62 -0.02 0.00 -1.00 -1.56 105.19 107.84 3hf9 n GLY 38 Ca 0.16 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.00 4.34 -0.15 1.61 1.01 -0.98 0.75 120.40 122.99 3hf9 s VAL 39 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3hf9 s VAL 39 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3hf9 s VAL 39 CO 0.00 0.53 -0.03 -0.22 0.00 0.00 0.00 175.10 175.39 3hf9 s LEU 40 N -0.18 3.33 -0.17 3.92 2.96 0.34 0.67 118.68 129.54 3hf9 s LEU 40 Ca 0.05 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3hf9 s LEU 40 Cb -0.12 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3hf9 s LEU 40 CO 0.02 0.20 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.87 3hf9 s PHE 41 N 0.19 3.03 -0.05 5.38 0.08 -0.05 -1.21 117.98 125.34 3hf9 s PHE 41 Ca -0.01 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 3hf9 s PHE 41 Cb -0.14 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.33 3hf9 s PHE 41 CO 0.03 -0.12 0.03 0.08 -0.10 0.00 0.00 175.22 175.13 3hf9 s VAL 42 N 0.64 0.15 0.01 -0.44 1.01 0.12 -2.14 120.40 119.74 3hf9 s VAL 42 Ca -0.02 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3hf9 s VAL 42 Cb -0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3hf9 s VAL 42 CO 0.02 0.22 -0.12 0.00 0.00 0.00 0.00 175.10 175.22 3hf9 s ALA 43 N 2.01 1.03 -0.03 5.51 0.00 -0.71 -0.31 121.76 129.25 3hf9 s ALA 43 Ca 0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3hf9 s ALA 43 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3hf9 s ALA 43 CO -0.04 0.23 1.18 -1.83 0.00 0.00 0.00 175.76 175.29 3hf9 s GLU 44 N -0.57 4.38 -0.25 0.00 -1.05 -1.01 -1.16 118.70 119.04 3hf9 s GLU 44 Ca 0.03 1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 56.47 3hf9 s GLU 44 Cb -0.06 -3.51 0.14 0.00 -0.44 0.00 0.00 34.13 30.26 3hf9 s GLU 44 CO 0.00 -0.38 0.47 1.21 0.95 0.00 0.00 175.26 177.51 3hf9 s ASN 45 N 1.35 -0.43 -0.02 0.83 3.84 -0.00 -4.65 114.94 115.86 3hf9 s ASN 45 Ca 0.56 0.71 -0.25 0.00 0.21 0.00 0.00 52.86 54.08 3hf9 s ASN 45 Cb -0.25 1.56 -0.20 0.00 -0.55 0.00 0.00 41.25 41.81 3hf9 s ASN 45 CO 0.23 -0.27 1.24 -0.65 -2.79 0.00 0.00 177.10 174.87 3hf9 h PRO 46 N 8.12 0.05 -6.45 0.43 0.11 -1.90 -3.34 132.00 129.02 3hf9 h PRO 46 Ca -0.19 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.29 3hf9 h PRO 46 Cb 1.14 0.00 0.16 0.00 0.11 0.00 0.00 31.00 32.41 3hf9 h PRO 46 CO 0.22 0.57 -0.34 0.45 -0.21 0.00 0.00 178.00 178.69 3hf9 n SER 47 N -4.79 -0.74 -0.00 -2.05 2.88 -1.26 -4.91 113.62 102.75 3hf9 n SER 47 Ca -0.08 0.83 0.06 0.00 -1.33 0.00 0.00 58.87 58.35 3hf9 n SER 47 Cb 0.29 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.50 3hf9 n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3hf9 n ARG 48 N 0.23 1.91 -0.01 -1.46 1.85 -1.26 -4.61 116.66 113.31 3hf9 n ARG 48 Ca 0.11 -0.05 0.02 0.00 -1.00 0.00 0.00 57.85 56.94 3hf9 n ARG 48 Cb 0.44 -1.15 -0.07 0.00 -1.05 0.00 0.00 32.46 30.63 3hf9 n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3hf9 n SER 49 N -1.56 2.94 -4.79 2.89 3.41 -1.26 -4.97 113.62 110.27 3hf9 n SER 49 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3hf9 n SER 49 Cb 0.24 1.25 -0.06 0.00 -0.26 0.00 0.00 64.21 65.37 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 -3.86 4.52 -0.02 1.04 1.43 -1.26 -5.07 118.68 115.46 3hf9 s LEU 50 Ca -0.03 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 3hf9 s LEU 50 Cb 0.05 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 3hf9 s LEU 50 CO 0.37 0.22 -0.14 -1.10 0.23 0.00 0.00 176.35 175.93 3hf9 s GLN 51 N -0.93 1.23 0.00 1.70 -0.21 -1.26 -4.85 119.66 115.34 3hf9 s GLN 51 Ca 0.31 -0.50 0.17 0.00 0.02 0.00 0.00 55.36 55.37 3hf9 s GLN 51 Cb -0.20 -1.16 -0.12 0.00 1.00 0.00 0.00 33.01 32.53 3hf9 s GLN 51 CO 0.20 0.27 0.78 1.63 -2.12 0.00 0.00 175.29 176.06 3hf9 n LYS 52 N 2.88 1.50 -4.73 2.91 5.02 -1.26 -4.95 118.16 119.53 3hf9 n LYS 52 Ca -0.15 -0.30 -0.25 0.00 -2.02 0.00 0.00 58.31 55.59 3hf9 n LYS 52 Cb 0.55 -1.30 -0.15 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.39 1.47 0.03 -0.18 1.01 -1.26 -0.89 121.20 118.98 3hf9 s ILE 53 Ca 0.09 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.51 3hf9 s ILE 53 Cb 0.13 -1.26 0.07 0.00 0.01 0.00 0.00 42.46 41.42 3hf9 s ILE 53 CO 0.60 0.29 0.67 -0.55 0.00 0.00 0.00 174.94 175.95 3hf9 s SER 54 N -0.78 -0.60 0.46 3.58 0.15 0.58 -4.99 113.70 112.10 3hf9 s SER 54 Ca 0.06 0.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.89 3hf9 s SER 54 Cb -0.08 0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 64.70 3hf9 s SER 54 CO 0.00 -0.73 1.10 -0.70 1.20 0.00 0.00 173.24 174.11 3hf9 s GLU 55 N -2.23 3.84 0.02 5.44 2.12 -1.26 -0.76 118.70 125.88 3hf9 s GLU 55 Ca -0.05 1.60 -0.01 0.00 0.36 0.00 0.00 54.97 56.87 3hf9 s GLU 55 Cb -0.00 -2.34 -0.01 0.00 0.26 0.00 0.00 34.13 32.04 3hf9 s GLU 55 CO 0.00 -0.44 -0.02 1.28 -0.54 0.00 0.00 175.26 175.54 3hf9 n LEU 56 N -0.54 0.56 0.00 2.70 4.77 -0.63 -4.81 117.00 119.05 3hf9 n LEU 56 Ca 0.07 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 3hf9 n LEU 56 Cb 0.50 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3hf9 n LEU 56 CO 0.45 -0.29 0.01 0.00 -1.33 0.00 0.00 177.39 176.23 3hf9 n TYR 57 N -3.28 -0.40 -0.17 -1.77 9.36 -0.87 -4.74 117.16 115.29 3hf9 n TYR 57 Ca -0.02 -0.50 -0.04 0.00 3.32 0.00 0.00 57.90 60.65 3hf9 n TYR 57 Cb 0.32 0.08 -0.04 0.00 -0.63 0.00 0.00 39.34 39.07 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3hf9 n ASP 58 N -2.38 -0.43 -0.85 2.98 8.00 -1.26 -2.69 116.55 119.91 3hf9 n ASP 58 Ca 0.01 1.27 0.08 0.00 0.71 0.00 0.00 54.79 56.85 3hf9 n ASP 58 Cb 0.12 -0.36 0.19 0.00 -0.02 0.00 0.00 41.12 41.04 3hf9 n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hf9 n ARG 59 N -3.91 2.51 -5.01 -1.24 5.12 -1.26 -1.91 116.66 110.96 3hf9 n ARG 59 Ca 0.01 -2.12 -0.29 0.00 -1.93 0.00 0.00 57.85 53.52 3hf9 n ARG 59 Cb 0.11 -1.37 -0.17 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.06 1.75 0.53 1.55 0.11 -1.10 -1.70 120.40 120.48 3hf9 s VAL 60 Ca 0.30 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.56 3hf9 s VAL 60 Cb 0.16 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.52 3hf9 s VAL 60 CO 0.22 0.49 0.36 -0.83 -3.33 0.00 0.00 175.10 172.01 3hf9 s GLY 61 N 0.37 2.41 -0.13 6.54 0.00 -0.44 -1.60 107.32 114.47 3hf9 s GLY 61 Ca -0.15 -1.27 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 3hf9 s GLY 61 CO 0.07 -1.95 0.34 -0.12 0.00 0.00 0.00 173.10 171.44 3hf9 s PHE 62 N -2.75 -0.40 -0.03 1.90 2.19 0.06 -1.70 117.98 117.24 3hf9 s PHE 62 Ca 0.33 0.95 -0.04 0.00 0.33 0.00 0.00 56.93 58.50 3hf9 s PHE 62 Cb -0.02 0.14 0.01 0.00 -1.31 0.00 0.00 43.02 41.84 3hf9 s PHE 62 CO 0.20 -0.21 0.11 0.00 1.83 0.00 0.00 175.22 177.15 3hf9 s ALA 63 N 0.50 -0.26 0.07 11.12 0.00 -0.34 -0.30 121.76 132.55 3hf9 s ALA 63 Ca -0.03 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3hf9 s ALA 63 Cb -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3hf9 s ALA 63 CO -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 175.76 175.60 3hf9 s ALA 64 N -0.26 0.75 0.08 0.00 0.00 -0.07 0.31 121.76 122.56 3hf9 s ALA 64 Ca -0.03 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.72 3hf9 s ALA 64 Cb -0.02 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3hf9 s ALA 64 CO 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 175.76 175.34 3hf9 s ALA 65 N -3.65 1.19 0.00 0.00 0.00 -0.43 -4.80 121.76 114.06 3hf9 s ALA 65 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3hf9 s ALA 65 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3hf9 s ALA 65 CO -0.07 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3hf9 n GLY 66 N 1.19 0.46 3.66 0.00 0.00 -1.26 -1.75 105.19 107.49 3hf9 n GLY 66 Ca -0.21 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.21 4.27 0.05 1.61 2.20 -0.54 -4.89 119.74 121.23 3hf9 s LYS 67 Ca 0.00 1.39 -0.31 0.00 -0.36 0.00 0.00 55.97 56.69 3hf9 s LYS 67 Cb 0.00 -3.64 -0.17 0.00 -1.51 0.00 0.00 37.83 32.52 3hf9 s LYS 67 CO 0.00 -0.60 1.46 0.35 -0.36 0.00 0.00 175.35 176.20 3hf9 h PHE 68 N 7.47 -1.06 -1.40 4.03 3.57 -1.96 -1.81 116.94 125.77 3hf9 h PHE 68 Ca -0.21 -0.02 0.41 0.00 3.53 0.00 0.00 57.97 61.68 3hf9 h PHE 68 Cb 1.07 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 3hf9 h PHE 68 CO 0.75 -0.63 1.05 -2.95 -2.23 0.00 0.00 178.31 174.31 3hf9 h ASN 69 N -1.06 0.00 0.00 0.41 -1.07 -1.99 0.21 115.58 112.08 3hf9 h ASN 69 Ca -0.10 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.22 3hf9 h ASN 69 Cb 0.83 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.07 3hf9 h ASN 69 CO 0.14 0.00 -0.32 -0.33 0.07 0.00 0.00 177.43 176.99 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.85 -3.10 114.58 118.85 3hf9 h GLU 70 Ca 0.67 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.95 3hf9 h GLU 70 Cb 2.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.01 3hf9 h GLU 70 CO -0.01 0.67 -0.36 0.27 -1.00 0.00 0.00 179.01 178.58 3hf9 h PHE 71 N -1.00 0.00 0.58 4.33 -5.15 -0.31 -2.67 116.94 112.72 3hf9 h PHE 71 Ca -0.07 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.67 3hf9 h PHE 71 Cb 0.79 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.96 3hf9 h PHE 71 CO 0.13 0.36 -0.28 0.22 -2.00 0.00 0.00 178.31 176.74 3hf9 h ASP 72 N 0.00 -0.66 -0.71 -0.68 3.58 -0.81 -0.33 116.42 116.81 3hf9 h ASP 72 Ca -0.00 -0.04 0.21 0.00 0.42 0.00 0.00 57.03 57.62 3hf9 h ASP 72 Cb 0.76 0.17 -0.13 0.00 1.72 0.00 0.00 39.33 41.85 3hf9 h ASP 72 CO 0.05 -0.31 0.08 -3.20 -2.88 0.00 0.00 179.24 172.98 3hf9 n ASN 73 N -5.33 -0.03 -0.04 2.28 5.15 -1.17 0.64 115.26 116.76 3hf9 n ASN 73 Ca -0.11 1.20 -0.11 0.00 -0.60 0.00 0.00 54.58 54.95 3hf9 n ASN 73 Cb 0.34 -0.46 0.02 0.00 -0.53 0.00 0.00 39.78 39.15 3hf9 n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3hf9 h LEU 74 N 0.00 0.78 -0.72 1.20 3.38 -1.08 -1.73 115.31 117.13 3hf9 h LEU 74 Ca 0.46 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3hf9 h LEU 74 Cb 1.01 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3hf9 h LEU 74 CO -0.65 1.14 0.42 -0.09 0.09 0.00 0.00 178.44 179.36 3hf9 h ARG 75 N 0.56 0.76 0.09 1.13 2.43 0.20 -0.03 114.38 119.51 3hf9 h ARG 75 Ca 0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hf9 h ARG 75 Cb 1.06 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3hf9 h ARG 75 CO 0.10 0.50 -0.04 0.00 -1.51 0.00 0.00 179.97 179.02 3hf9 h ARG 76 N 0.78 -0.12 -1.02 0.20 3.08 -0.95 -1.39 114.38 114.95 3hf9 h ARG 76 Ca 0.32 0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.63 3hf9 h ARG 76 Cb 0.17 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.14 3hf9 h ARG 76 CO -0.17 0.20 0.64 0.78 -1.07 0.00 0.00 179.97 180.34 3hf9 h GLY 77 N -0.44 1.49 0.68 0.04 0.00 -1.05 0.64 103.07 104.42 3hf9 h GLY 77 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3hf9 h GLY 77 CO 0.02 -0.17 -0.08 -1.33 0.00 0.00 0.00 176.54 174.99 3hf9 h GLY 78 N 0.49 0.26 0.88 4.60 0.00 -0.66 0.03 103.07 108.67 3hf9 h GLY 78 Ca 0.61 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.71 3hf9 h GLY 78 CO -0.36 0.23 0.21 -2.22 0.00 0.00 0.00 176.54 174.40 3hf9 h ILE 79 N -0.15 1.02 -0.07 2.60 2.04 -0.26 -0.41 117.51 122.28 3hf9 h ILE 79 Ca 0.02 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3hf9 h ILE 79 Cb 0.57 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 3hf9 h ILE 79 CO 0.02 0.08 -0.44 1.56 0.00 0.00 0.00 178.15 179.37 3hf9 h GLN 80 N 0.43 -0.53 -0.19 2.37 1.08 -0.79 -0.25 115.11 117.22 3hf9 h GLN 80 Ca 0.15 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 3hf9 h GLN 80 Cb 0.03 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3hf9 h GLN 80 CO -0.08 -0.36 0.06 0.35 -0.95 0.00 0.00 178.83 177.85 3hf9 h PHE 81 N -0.55 0.12 0.16 2.96 3.57 -0.72 -2.17 116.94 120.30 3hf9 h PHE 81 Ca 0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3hf9 h PHE 81 Cb 0.66 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3hf9 h PHE 81 CO -0.47 0.06 -0.19 0.00 -2.23 0.00 0.00 178.31 175.47 3hf9 h ALA 82 N 1.12 -0.36 -0.92 2.41 0.00 -0.76 -1.46 119.26 119.28 3hf9 h ALA 82 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 82 Cb 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 82 CO -0.09 -0.73 0.61 -0.44 0.00 0.00 0.00 179.25 178.60 3hf9 h ASP 83 N -0.40 1.06 -0.13 0.00 3.32 -1.01 -0.74 116.42 118.52 3hf9 h ASP 83 Ca 0.01 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3hf9 h ASP 83 Cb 0.39 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3hf9 h ASP 83 CO -0.07 0.76 -0.09 0.74 -1.72 0.00 0.00 179.24 178.87 3hf9 h THR 84 N 1.25 0.74 -0.33 0.35 2.02 -1.14 -2.49 112.91 113.30 3hf9 h THR 84 Ca 0.34 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.54 3hf9 h THR 84 Cb -0.14 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3hf9 h THR 84 CO -0.07 0.00 0.17 0.03 0.37 0.00 0.00 175.52 176.02 3hf9 h ARG 85 N -0.09 0.35 -0.82 6.66 2.47 -0.70 -1.34 114.38 120.90 3hf9 h ARG 85 Ca 0.08 -0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.92 3hf9 h ARG 85 Cb 0.21 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.39 3hf9 h ARG 85 CO -0.18 0.23 0.54 0.78 0.56 0.00 0.00 179.97 181.90 3hf9 h GLY 86 N 0.36 0.96 1.57 0.04 0.00 -1.11 0.10 103.07 105.00 3hf9 h GLY 86 Ca 0.13 -0.24 -0.26 0.00 0.00 0.00 0.00 47.33 46.96 3hf9 h GLY 86 CO -0.08 0.08 -1.16 -1.82 0.00 0.00 0.00 176.54 173.56 3hf9 h TYR 87 N 0.57 0.58 0.00 5.60 3.20 -0.96 -3.30 116.97 122.66 3hf9 h TYR 87 Ca 0.41 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hf9 h TYR 87 Cb 0.77 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.00 3hf9 h TYR 87 CO -0.00 1.27 -0.23 0.00 -1.64 0.00 0.00 178.16 177.55 3hf9 n ALA 88 N -2.55 2.71 -2.00 1.82 0.00 -0.55 -4.82 120.51 115.11 3hf9 n ALA 88 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3hf9 n ALA 88 Cb 0.97 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.78 0.00 -4.35 0.00 4.01 0.29 -5.07 117.16 110.26 3hf9 n TYR 89 Ca 0.06 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.61 3hf9 n TYR 89 Cb 0.38 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.00 2.22 0.57 7.72 3.84 -1.24 -4.98 116.67 125.80 3hf9 s ASP 90 Ca 0.00 -1.16 0.35 0.00 -0.00 0.00 0.00 52.55 51.74 3hf9 s ASP 90 Cb 0.00 -0.07 1.57 0.00 -1.38 0.00 0.00 42.92 43.04 3hf9 s ASP 90 CO 0.00 -0.40 2.06 0.03 -0.00 0.00 0.00 175.17 176.87 3hf9 h ARG 91 N 2.45 0.00 -0.16 2.11 3.08 -1.90 -2.96 114.38 117.01 3hf9 h ARG 91 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3hf9 h ARG 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hf9 h ARG 91 CO 0.65 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 180.11 3hf9 n ARG 92 N -3.15 1.54 0.15 0.04 1.74 -1.26 -3.44 116.66 112.28 3hf9 n ARG 92 Ca -0.00 -0.82 0.07 0.00 -0.77 0.00 0.00 57.85 56.33 3hf9 n ARG 92 Cb 0.26 -1.32 0.06 0.00 -1.02 0.00 0.00 32.46 30.44 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 1.55 0.00 -3.15 0.55 3.58 -1.89 -3.44 116.42 113.62 3hf9 h ASP 93 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3hf9 h ASP 93 Cb 0.34 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 3hf9 h ASP 93 CO 0.00 0.26 0.70 -0.69 -2.88 0.00 0.00 179.24 176.63 3hf9 s VAL 94 N -3.10 4.69 0.07 2.25 1.01 -1.22 -4.94 120.40 119.15 3hf9 s VAL 94 Ca 0.04 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.03 3hf9 s VAL 94 Cb 0.07 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3hf9 s VAL 94 CO 0.73 -0.09 -0.06 0.42 0.00 0.00 0.00 175.10 176.10 3hf9 s THR 95 N 2.65 0.55 0.11 3.92 -4.23 -1.26 -4.96 115.64 112.42 3hf9 s THR 95 Ca 0.47 -1.54 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 3hf9 s THR 95 Cb -0.17 -1.18 -0.08 0.00 1.34 0.00 0.00 72.50 72.41 3hf9 s THR 95 CO 0.12 -0.68 1.71 1.23 -0.54 0.00 0.00 174.62 176.46 3hf9 h GLY 96 N 3.66 0.02 -0.84 3.99 0.00 -1.94 -2.04 103.07 105.92 3hf9 h GLY 96 Ca -0.35 0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.18 3hf9 h GLY 96 CO 0.54 -0.06 -0.39 -0.09 0.00 0.00 0.00 176.54 176.54 3hf9 h ARG 97 N -0.06 -0.05 0.56 4.80 1.12 -1.95 -1.07 114.38 117.73 3hf9 h ARG 97 Ca 0.05 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 3hf9 h ARG 97 Cb 0.13 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.10 3hf9 h ARG 97 CO -0.11 -0.03 -0.27 0.37 -3.11 0.00 0.00 179.97 176.82 3hf9 h GLN 98 N -0.05 -0.72 -0.80 0.20 4.15 -1.77 -2.17 115.11 113.95 3hf9 h GLN 98 Ca 0.30 0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.83 3hf9 h GLN 98 Cb 0.58 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.37 3hf9 h GLN 98 CO -0.90 -0.46 0.48 -0.07 -1.93 0.00 0.00 178.83 175.95 3hf9 h LEU 99 N -0.80 0.76 -0.18 -2.39 3.38 -0.98 -1.44 115.31 113.66 3hf9 h LEU 99 Ca -0.08 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hf9 h LEU 99 Cb 0.60 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hf9 h LEU 99 CO 0.13 0.49 -0.02 0.00 0.09 0.00 0.00 178.44 179.12 3hf9 h ALA 100 N 1.38 0.13 -0.74 1.53 0.00 -1.13 0.03 119.26 120.46 3hf9 h ALA 100 Ca 0.35 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.48 3hf9 h ALA 100 Cb 0.16 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 3hf9 h ALA 100 CO -0.17 -0.46 -0.09 -0.97 0.00 0.00 0.00 179.25 177.56 3hf9 h ASN 101 N 0.03 -0.51 -0.10 0.00 -0.73 -0.70 0.23 115.58 113.80 3hf9 h ASN 101 Ca 0.08 0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 3hf9 h ASN 101 Cb 0.12 0.40 -0.00 0.00 0.27 0.00 0.00 38.32 39.10 3hf9 h ASN 101 CO -0.16 -0.21 0.04 0.58 -0.37 0.00 0.00 177.43 177.30 3hf9 h VAL 102 N 0.05 1.15 -0.89 2.57 2.07 -0.45 -1.93 116.25 118.81 3hf9 h VAL 102 Ca 0.38 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3hf9 h VAL 102 Cb 0.64 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3hf9 h VAL 102 CO -0.71 0.13 0.59 1.88 0.02 0.00 0.00 177.57 179.48 3hf9 h TYR 103 N -0.00 1.08 0.22 1.57 0.05 -0.35 -1.44 116.97 118.10 3hf9 h TYR 103 Ca 0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3hf9 h TYR 103 Cb 0.18 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3hf9 h TYR 103 CO -0.01 0.63 -0.14 0.00 -1.05 0.00 0.00 178.16 177.59 3hf9 h ALA 104 N 1.48 -0.34 0.00 3.88 0.00 -0.22 -0.25 119.26 123.81 3hf9 h ALA 104 Ca 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hf9 h ALA 104 Cb 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hf9 h ALA 104 CO -0.10 -0.70 -0.07 1.96 0.00 0.00 0.00 179.25 180.34 3hf9 h GLN 105 N -0.35 0.00 0.00 0.00 4.20 -0.90 0.25 115.11 118.31 3hf9 h GLN 105 Ca -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3hf9 h GLN 105 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3hf9 h GLN 105 CO 0.01 0.07 -0.23 1.15 -0.67 0.00 0.00 178.83 179.16 3hf9 h THR 106 N 0.00 1.27 -0.85 -0.54 2.02 -0.86 -2.21 112.91 111.74 3hf9 h THR 106 Ca -0.00 -2.04 -0.00 0.00 0.77 0.00 0.00 66.41 65.14 3hf9 h THR 106 Cb 0.25 2.49 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 3hf9 h THR 106 CO 0.01 0.43 0.52 -0.07 0.37 0.00 0.00 175.52 176.78 3hf9 h LEU 107 N -1.00 1.01 -0.30 2.58 3.38 -0.89 0.25 115.31 120.34 3hf9 h LEU 107 Ca -0.06 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hf9 h LEU 107 Cb 0.86 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3hf9 h LEU 107 CO -0.04 0.77 0.08 1.23 0.09 0.00 0.00 178.44 180.57 3hf9 h GLY 108 N 1.18 0.35 0.92 0.83 0.00 -0.59 0.59 103.07 106.36 3hf9 h GLY 108 Ca 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hf9 h GLY 108 CO -0.06 0.01 0.01 -0.84 0.00 0.00 0.00 176.54 175.66 3hf9 h THR 109 N 0.20 1.07 -0.55 4.70 2.02 -0.71 -2.65 112.91 116.99 3hf9 h THR 109 Ca 0.13 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.18 3hf9 h THR 109 Cb 0.12 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3hf9 h THR 109 CO -0.16 0.06 0.24 0.40 0.37 0.00 0.00 175.52 176.43 3hf9 h ILE 110 N -0.06 0.86 0.00 3.11 2.04 -0.74 0.12 117.51 122.84 3hf9 h ILE 110 Ca 0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3hf9 h ILE 110 Cb 0.08 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3hf9 h ILE 110 CO -0.00 0.08 -0.06 0.15 0.00 0.00 0.00 178.15 178.32 3hf9 h PHE 111 N 0.45 0.00 0.00 1.37 3.57 -0.74 -2.11 116.94 119.48 3hf9 h PHE 111 Ca 0.26 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.49 3hf9 h PHE 111 Cb 0.25 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3hf9 h PHE 111 CO -0.14 0.06 -1.55 2.41 -2.23 0.00 0.00 178.31 176.86 3hf9 n THR 112 N -3.73 1.53 0.37 4.41 -1.04 -0.60 -4.78 114.28 110.44 3hf9 n THR 112 Ca -0.02 -0.10 0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3hf9 n THR 112 Cb 0.16 -2.02 -0.09 0.00 -1.82 0.00 0.00 70.33 66.57 3hf9 n THR 112 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hf9 n GLU 113 N -4.39 1.79 -2.44 -2.82 1.02 0.33 -4.99 120.64 109.14 3hf9 n GLU 113 Ca -0.37 -0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.49 3hf9 n GLU 113 Cb 0.71 -1.20 0.07 0.00 -0.02 0.00 0.00 31.44 31.01 3hf9 n GLU 113 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hf9 s GLN 114 N -2.51 2.13 0.09 3.49 -0.21 -0.80 -5.02 119.66 116.84 3hf9 s GLN 114 Ca 0.01 -0.65 -0.15 0.00 0.02 0.00 0.00 55.36 54.59 3hf9 s GLN 114 Cb 0.09 -2.31 -0.11 0.00 1.00 0.00 0.00 33.01 31.68 3hf9 s GLN 114 CO 0.55 -1.15 1.37 0.00 -2.12 0.00 0.00 175.29 173.94 3hf9 h ALA 115 N -0.38 0.38 -3.80 6.09 0.00 -1.94 -3.44 119.26 116.17 3hf9 h ALA 115 Ca -0.42 -0.47 -0.51 0.00 0.00 0.00 0.00 54.91 53.52 3hf9 h ALA 115 Cb 1.29 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.71 3hf9 h ALA 115 CO 0.52 0.50 -0.82 0.21 0.00 0.00 0.00 179.25 179.66 3hf9 s LYS 116 N -4.11 1.47 0.56 0.00 2.20 -1.26 -5.13 119.74 113.46 3hf9 s LYS 116 Ca -0.12 -0.47 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 3hf9 s LYS 116 Cb 0.08 -1.29 -0.05 0.00 -1.51 0.00 0.00 37.83 35.07 3hf9 s LYS 116 CO 0.85 0.16 1.26 -1.25 -0.36 0.00 0.00 175.35 176.01 3hf9 s PRO 117 N 0.19 3.15 0.06 4.03 0.04 -1.26 -4.87 135.00 136.33 3hf9 s PRO 117 Ca -0.05 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 3hf9 s PRO 117 Cb -0.11 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 3hf9 s PRO 117 CO 0.02 -1.11 1.32 0.71 0.04 0.00 0.00 177.00 177.97 3hf9 s TYR 118 N -1.46 3.21 -1.29 0.56 1.51 -1.26 -4.90 117.35 113.71 3hf9 s TYR 118 Ca 0.73 1.05 -0.12 0.00 -1.01 0.00 0.00 57.07 57.72 3hf9 s TYR 118 Cb -0.34 -3.57 0.14 0.00 -0.11 0.00 0.00 41.96 38.07 3hf9 s TYR 118 CO 0.39 -1.96 1.79 0.39 -1.11 0.00 0.00 175.55 175.05 3hf9 n GLU 119 N 4.37 3.39 -3.99 -0.62 1.02 -1.26 -4.69 120.64 118.86 3hf9 n GLU 119 Ca 0.11 -3.46 -0.09 0.00 -0.02 0.00 0.00 57.16 53.71 3hf9 n GLU 119 Cb 0.44 -3.08 -0.08 0.00 -0.02 0.00 0.00 31.44 28.70 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 1.56 0.12 -0.09 2.62 -7.23 -1.26 -1.47 120.40 114.66 3hf9 s VAL 120 Ca 0.43 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 3hf9 s VAL 120 Cb 0.06 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.38 3hf9 s VAL 120 CO -0.00 -0.57 0.18 -0.70 -0.31 0.00 0.00 175.10 173.70 3hf9 s GLU 121 N -3.94 0.08 0.15 4.82 2.12 -0.72 -3.26 118.70 117.95 3hf9 s GLU 121 Ca 0.13 0.54 0.06 0.00 0.36 0.00 0.00 54.97 56.06 3hf9 s GLU 121 Cb 0.05 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 3hf9 s GLU 121 CO -0.05 -0.26 0.06 -0.51 -0.54 0.00 0.00 175.26 173.97 3hf9 s LEU 122 N 1.95 3.57 -0.05 2.70 1.02 -0.14 -1.31 118.68 126.42 3hf9 s LEU 122 Ca -0.01 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.91 3hf9 s LEU 122 Cb -0.12 -2.22 0.03 0.00 0.02 0.00 0.00 46.19 43.89 3hf9 s LEU 122 CO -0.06 0.10 -0.01 0.00 0.02 0.00 0.00 176.35 176.39 3hf9 s VAL 124 N 1.48 3.35 -0.04 0.00 1.01 -0.63 -1.20 120.40 124.38 3hf9 s VAL 124 Ca -0.03 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3hf9 s VAL 124 Cb -0.13 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3hf9 s VAL 124 CO -0.03 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.33 3hf9 s ALA 125 N 0.72 1.95 0.16 5.51 0.00 -0.69 -1.27 121.76 128.14 3hf9 s ALA 125 Ca -0.04 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.07 3hf9 s ALA 125 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3hf9 s ALA 125 CO 0.02 0.41 -0.25 -2.00 0.00 0.00 0.00 175.76 173.94 3hf9 s GLU 126 N -0.27 1.49 0.21 0.00 2.12 -0.35 -1.32 118.70 120.58 3hf9 s GLU 126 Ca 0.01 -1.41 0.04 0.00 0.36 0.00 0.00 54.97 53.97 3hf9 s GLU 126 Cb -0.12 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 3hf9 s GLU 126 CO 0.02 0.43 -0.04 0.54 -0.54 0.00 0.00 175.26 175.67 3hf9 s VAL 127 N -1.33 1.12 0.61 3.70 0.11 -0.69 -2.33 120.40 121.60 3hf9 s VAL 127 Ca 0.17 -2.05 -0.18 0.00 -2.93 0.00 0.00 61.98 56.99 3hf9 s VAL 127 Cb -0.09 -2.18 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 3hf9 s VAL 127 CO 0.08 -0.47 1.16 0.00 -3.33 0.00 0.00 175.10 172.55 3hf9 s ALA 128 N -3.36 2.51 0.85 1.54 0.00 -1.26 -4.87 121.76 117.16 3hf9 s ALA 128 Ca 0.25 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 3hf9 s ALA 128 Cb 0.04 -3.40 0.10 0.00 0.00 0.00 0.00 23.12 19.86 3hf9 s ALA 128 CO 0.06 -1.19 1.09 -1.01 0.00 0.00 0.00 175.76 174.72 3hf9 s HIS 129 N -1.87 2.48 0.18 0.00 3.76 -1.26 -4.80 115.29 113.77 3hf9 s HIS 129 Ca 0.73 1.30 -0.13 0.00 -0.15 0.00 0.00 55.06 56.81 3hf9 s HIS 129 Cb -0.26 -3.12 0.12 0.00 1.11 0.00 0.00 32.58 30.42 3hf9 s HIS 129 CO 0.35 -2.13 1.80 -0.92 -0.85 0.00 0.00 174.74 172.98 3hf9 h TYR 130 N -1.36 0.50 -0.29 1.40 3.20 -1.79 -3.18 116.97 115.45 3hf9 h TYR 130 Ca -0.48 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.35 3hf9 h TYR 130 Cb 1.27 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 3hf9 h TYR 130 CO 0.47 0.27 -0.05 0.78 -1.64 0.00 0.00 178.16 177.99 3hf9 h GLY 131 N 0.54 0.59 -1.61 1.82 0.00 -1.92 -3.46 103.07 99.03 3hf9 h GLY 131 Ca 0.21 -0.47 -0.50 0.00 0.00 0.00 0.00 47.33 46.57 3hf9 h GLY 131 CO -0.13 0.43 0.32 -1.83 0.00 0.00 0.00 176.54 175.33 3hf9 s GLU 132 N -4.83 3.60 -0.19 4.80 -1.05 -1.20 -5.08 118.70 114.74 3hf9 s GLU 132 Ca -0.13 0.59 -0.02 0.00 -0.15 0.00 0.00 54.97 55.25 3hf9 s GLU 132 Cb 0.08 -2.18 -0.01 0.00 -0.44 0.00 0.00 34.13 31.59 3hf9 s GLU 132 CO 0.77 -0.43 -0.08 0.95 0.95 0.00 0.00 175.26 177.42 3hf9 s THR 133 N -3.00 3.14 0.06 1.83 -4.23 -1.26 -4.39 115.64 107.78 3hf9 s THR 133 Ca 0.53 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 60.30 3hf9 s THR 133 Cb -0.11 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3hf9 s THR 133 CO 0.50 0.46 0.34 -0.75 -0.54 0.00 0.00 174.62 174.63 3hf9 s LYS 134 N 1.19 0.89 0.05 3.99 2.20 -1.26 -5.08 119.74 121.72 3hf9 s LYS 134 Ca 0.02 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 3hf9 s LYS 134 Cb -0.14 0.39 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 3hf9 s LYS 134 CO -0.03 -0.30 0.92 0.50 -0.36 0.00 0.00 175.35 176.08 3hf9 s ARG 135 N -2.85 4.60 0.41 4.03 3.52 -1.26 -4.59 118.95 122.81 3hf9 s ARG 135 Ca -0.03 1.35 -0.27 0.00 -0.13 0.00 0.00 55.73 56.65 3hf9 s ARG 135 Cb 0.00 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 3hf9 s ARG 135 CO -0.05 0.12 1.41 -2.14 -0.81 0.00 0.00 175.30 173.83 3hf9 s PRO 136 N 0.39 3.92 -0.11 5.12 0.02 -1.26 -4.88 135.00 138.20 3hf9 s PRO 136 Ca 0.47 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.89 3hf9 s PRO 136 Cb -0.22 -2.80 -0.01 0.00 0.02 0.00 0.00 34.50 31.49 3hf9 s PRO 136 CO 0.27 -0.61 -0.15 -1.21 -0.33 0.00 0.00 177.00 174.97 3hf9 s GLU 137 N -2.25 3.19 0.00 5.54 2.02 -0.98 -4.94 118.70 121.29 3hf9 s GLU 137 Ca 0.57 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.91 3hf9 s GLU 137 Cb -0.43 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3hf9 s GLU 137 CO 0.56 0.28 -0.19 -0.51 0.02 0.00 0.00 175.26 175.42 3hf9 s LEU 138 N 0.17 2.52 -0.02 1.80 1.02 -1.22 -1.21 118.68 121.74 3hf9 s LEU 138 Ca -0.08 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.72 3hf9 s LEU 138 Cb -0.15 -1.48 -0.00 0.00 0.02 0.00 0.00 46.19 44.57 3hf9 s LEU 138 CO 0.05 0.29 -0.09 -0.31 0.02 0.00 0.00 176.35 176.32 3hf9 s TYR 139 N -0.80 0.86 -0.21 0.29 1.51 -0.40 -3.14 117.35 115.45 3hf9 s TYR 139 Ca 0.13 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 3hf9 s TYR 139 Cb -0.10 -0.59 -0.00 0.00 -0.11 0.00 0.00 41.96 41.15 3hf9 s TYR 139 CO 0.03 -0.06 -0.08 0.50 -1.11 0.00 0.00 175.55 174.82 3hf9 s ARG 140 N 0.04 3.26 -0.15 -0.62 3.52 -0.35 -1.60 118.95 123.06 3hf9 s ARG 140 Ca -0.00 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.87 3hf9 s ARG 140 Cb -0.06 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 3hf9 s ARG 140 CO 0.00 -0.21 -0.01 0.42 -0.81 0.00 0.00 175.30 174.69 3hf9 s ILE 141 N 1.43 4.14 0.46 4.11 1.09 -0.68 -1.05 121.20 130.70 3hf9 s ILE 141 Ca 0.05 -0.28 0.07 0.00 -1.10 0.00 0.00 60.65 59.40 3hf9 s ILE 141 Cb -0.14 -2.81 -0.00 0.00 -1.06 0.00 0.00 42.46 38.45 3hf9 s ILE 141 CO -0.06 0.51 0.37 0.42 -0.10 0.00 0.00 174.94 176.08 3hf9 s THR 142 N 0.11 2.28 0.35 2.92 -4.23 -0.78 -0.96 115.64 115.33 3hf9 s THR 142 Ca 0.01 -1.43 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 3hf9 s THR 142 Cb -0.13 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 71.20 3hf9 s THR 142 CO 0.02 0.00 1.57 0.10 -0.54 0.00 0.00 174.62 175.77 3hf9 h TYR 143 N 0.98 0.00 -0.02 3.99 -0.00 -1.83 -0.48 116.97 119.61 3hf9 h TYR 143 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.33 3hf9 h TYR 143 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 3hf9 h TYR 143 CO 0.67 0.00 -0.15 -0.40 -0.00 0.00 0.00 178.16 178.28 3hf9 n ASP 144 N -2.46 1.94 0.00 0.10 5.75 -1.26 -4.59 116.55 116.03 3hf9 n ASP 144 Ca -0.01 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 3hf9 n ASP 144 Cb 0.39 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hf9 n GLY 145 N 0.98 0.08 3.73 6.12 0.00 -0.19 -4.03 105.19 111.89 3hf9 n GLY 145 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.07 6.55 -0.16 1.61 0.01 -1.26 -4.70 113.70 113.68 3hf9 s SER 146 Ca 0.00 2.72 0.01 0.00 1.31 0.00 0.00 55.95 59.99 3hf9 s SER 146 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 3hf9 s SER 146 CO 0.00 -0.81 -0.17 -0.51 0.41 0.00 0.00 173.24 172.16 3hf9 s ILE 147 N 0.49 1.82 0.12 1.44 2.07 -1.26 -1.86 121.20 124.01 3hf9 s ILE 147 Ca 0.65 -0.80 0.06 0.00 -1.41 0.00 0.00 60.65 59.15 3hf9 s ILE 147 Cb -0.44 -1.66 -0.04 0.00 0.13 0.00 0.00 42.46 40.45 3hf9 s ILE 147 CO 0.39 0.50 0.01 0.00 -1.91 0.00 0.00 174.94 173.93 3hf9 s ALA 148 N 1.30 3.29 -0.38 1.50 0.00 -0.21 -4.98 121.76 122.28 3hf9 s ALA 148 Ca 0.03 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3hf9 s ALA 148 Cb -0.13 -1.16 0.12 0.00 0.00 0.00 0.00 23.12 21.95 3hf9 s ALA 148 CO -0.10 0.63 0.15 0.16 0.00 0.00 0.00 175.76 176.60 3hf9 s ASP 149 N -2.55 4.01 0.63 0.00 -4.77 -1.26 -1.21 116.67 111.52 3hf9 s ASP 149 Ca 0.27 -2.18 -0.13 0.00 -3.30 0.00 0.00 52.55 47.21 3hf9 s ASP 149 Cb -0.11 -1.09 -0.02 0.00 -1.09 0.00 0.00 42.92 40.61 3hf9 s ASP 149 CO 0.19 -0.34 1.05 -1.61 0.70 0.00 0.00 175.17 175.15 3hf9 s GLU 150 N 0.91 3.28 -0.07 2.11 2.02 -1.19 -4.95 118.70 120.83 3hf9 s GLU 150 Ca 0.13 1.01 0.17 0.00 0.02 0.00 0.00 54.97 56.31 3hf9 s GLU 150 Cb -0.21 -2.03 -0.26 0.00 0.10 0.00 0.00 34.13 31.73 3hf9 s GLU 150 CO -0.11 -0.83 0.30 -0.35 0.02 0.00 0.00 175.26 174.29 3hf9 n PRO 151 N -2.51 0.76 -0.01 0.39 -0.05 -1.26 -3.43 135.00 128.88 3hf9 n PRO 151 Ca 0.08 -0.12 -0.05 0.00 -0.05 0.00 0.00 63.50 63.36 3hf9 n PRO 151 Cb 0.53 -1.43 -0.02 0.00 -0.05 0.00 0.00 33.50 32.54 3hf9 n PRO 151 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3hf9 n HIS 152 N -2.27 0.00 -4.05 0.54 8.25 -1.26 -4.83 115.22 111.60 3hf9 n HIS 152 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.26 3hf9 n HIS 152 Cb 0.64 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.18 0.62 -0.01 4.41 -0.12 -1.26 -1.13 117.98 118.31 3hf9 s PHE 153 Ca -0.09 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 3hf9 s PHE 153 Cb 0.02 -0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3hf9 s PHE 153 CO 0.12 -0.76 0.00 0.08 -0.05 0.00 0.00 175.22 174.61 3hf9 s VAL 154 N -4.04 0.06 -0.05 -2.49 1.01 0.11 -4.81 120.40 110.19 3hf9 s VAL 154 Ca 0.25 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.31 3hf9 s VAL 154 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3hf9 s VAL 154 CO 0.06 0.06 -0.15 -0.69 0.00 0.00 0.00 175.10 174.37 3hf9 s VAL 155 N 0.40 1.32 0.03 2.92 1.01 -1.26 -1.46 120.40 123.36 3hf9 s VAL 155 Ca -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3hf9 s VAL 155 Cb -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3hf9 s VAL 155 CO -0.01 0.39 -0.07 -0.04 0.00 0.00 0.00 175.10 175.37 3hf9 s MET 156 N 0.19 0.47 0.21 2.72 -1.94 -0.43 -5.00 119.30 115.52 3hf9 s MET 156 Ca -0.06 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 3hf9 s MET 156 Cb -0.12 -0.26 0.00 0.00 2.01 0.00 0.00 34.83 36.46 3hf9 s MET 156 CO 0.03 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 3hf9 n GLY 157 N 1.74 -2.90 7.00 -0.03 0.00 -1.26 -0.74 105.19 108.99 3hf9 n GLY 157 Ca -0.21 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.71 1.02 3.49 -0.02 0.00 -0.66 -4.27 105.19 102.03 3hf9 n GLY 158 Ca -0.03 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 4.71 0.05 2.61 -4.23 -1.26 -4.49 115.64 113.03 3hf9 s THR 159 Ca 0.00 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.32 3hf9 s THR 159 Cb 0.00 -4.35 -0.31 0.00 1.34 0.00 0.00 72.50 69.17 3hf9 s THR 159 CO 0.00 -0.86 1.06 0.71 -0.54 0.00 0.00 174.62 174.99 3hf9 h THR 160 N 5.92 1.38 -0.44 3.99 1.35 -1.95 -3.38 112.91 119.78 3hf9 h THR 160 Ca -0.27 -2.90 0.09 0.00 -0.55 0.00 0.00 66.41 62.78 3hf9 h THR 160 Cb 1.09 2.97 -0.08 0.00 -1.73 0.00 0.00 68.15 70.40 3hf9 h THR 160 CO 0.99 0.86 -0.06 -0.33 -0.25 0.00 0.00 175.52 176.72 3hf9 h GLU 161 N 0.10 0.04 -0.45 4.72 3.07 -1.96 0.75 114.58 120.85 3hf9 h GLU 161 Ca -0.19 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.77 3hf9 h GLU 161 Cb 2.06 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.93 3hf9 h GLU 161 CO 0.23 0.03 0.32 -1.35 -1.40 0.00 0.00 179.01 176.84 3hf9 h PRO 162 N 0.05 0.13 0.13 2.33 0.11 -1.90 -0.12 132.00 132.72 3hf9 h PRO 162 Ca 0.22 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.99 3hf9 h PRO 162 Cb 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3hf9 h PRO 162 CO -0.42 0.08 -1.76 0.82 -0.21 0.00 0.00 178.00 176.52 3hf9 h ILE 163 N 0.13 0.80 -0.80 4.15 2.04 -1.42 -3.00 117.51 119.41 3hf9 h ILE 163 Ca 0.21 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.70 3hf9 h ILE 163 Cb 0.68 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 3hf9 h ILE 163 CO -0.03 0.80 0.48 0.00 0.00 0.00 0.00 178.15 179.39 3hf9 h ALA 164 N -0.00 1.02 -0.24 1.87 0.00 -0.46 -1.35 119.26 120.11 3hf9 h ALA 164 Ca -0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3hf9 h ALA 164 Cb 1.92 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3hf9 h ALA 164 CO 0.07 0.49 -0.01 -0.91 0.00 0.00 0.00 179.25 178.89 3hf9 h ASN 165 N 1.10 0.43 -1.00 0.00 2.35 -1.19 -0.27 115.58 117.01 3hf9 h ASN 165 Ca 0.29 -0.32 0.15 0.00 -0.55 0.00 0.00 56.30 55.86 3hf9 h ASN 165 Cb -0.03 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 38.13 3hf9 h ASN 165 CO -0.05 0.65 0.61 0.00 -1.65 0.00 0.00 177.43 176.99 3hf9 h ALA 166 N 0.80 1.56 -0.01 -0.83 0.00 -1.32 -2.04 119.26 117.42 3hf9 h ALA 166 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 166 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 166 CO 0.02 0.10 -0.05 -0.07 0.00 0.00 0.00 179.25 179.25 3hf9 h LEU 167 N 0.89 0.05 -0.99 0.00 3.38 -1.16 -2.48 115.31 115.00 3hf9 h LEU 167 Ca 0.53 -0.70 0.33 0.00 0.09 0.00 0.00 57.88 58.12 3hf9 h LEU 167 Cb 0.66 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.21 3hf9 h LEU 167 CO -0.32 0.75 0.22 0.29 0.09 0.00 0.00 178.44 179.47 3hf9 n LYS 168 N -4.70 -0.07 0.02 1.13 5.02 -0.12 -0.06 118.16 119.37 3hf9 n LYS 168 Ca -0.09 1.43 -0.17 0.00 -2.02 0.00 0.00 58.31 57.46 3hf9 n LYS 168 Cb 0.37 -2.39 -0.14 0.00 -0.02 0.00 0.00 35.03 32.85 3hf9 n LYS 168 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hf9 h GLU 169 N 0.00 0.20 -0.38 1.97 4.11 -1.58 -3.36 114.58 115.55 3hf9 h GLU 169 Ca 0.69 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.78 3hf9 h GLU 169 Cb 1.63 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3hf9 h GLU 169 CO -0.86 1.01 0.00 -1.13 0.07 0.00 0.00 179.01 178.09 3hf9 n SER 170 N -3.37 2.33 -4.54 3.06 3.41 0.10 -4.89 113.62 109.73 3hf9 n SER 170 Ca -0.24 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.02 3hf9 n SER 170 Cb 1.05 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.50 3.12 -0.25 7.33 5.04 0.92 -4.95 117.35 127.05 3hf9 s TYR 171 Ca 0.31 0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.93 3hf9 s TYR 171 Cb 0.17 -3.16 -0.03 0.00 0.35 0.00 0.00 41.96 39.29 3hf9 s TYR 171 CO 0.23 -0.72 0.10 0.00 -1.34 0.00 0.00 175.55 173.82 3hf9 s ALA 172 N 2.63 3.27 0.23 3.97 0.00 -1.26 -5.02 121.76 125.58 3hf9 s ALA 172 Ca 0.21 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 3hf9 s ALA 172 Cb -0.15 -2.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 3hf9 s ALA 172 CO 0.16 -0.47 1.03 -1.83 0.00 0.00 0.00 175.76 174.65 3hf9 s GLU 173 N 1.59 4.71 -0.41 0.00 -1.05 -1.26 -3.11 118.70 119.18 3hf9 s GLU 173 Ca 0.06 1.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 3hf9 s GLU 173 Cb -0.15 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.28 3hf9 s GLU 173 CO 0.06 0.29 0.00 0.09 0.95 0.00 0.00 175.26 176.65 3hf9 n ASN 174 N 1.73 -2.36 -4.66 0.83 4.13 -1.26 -4.94 115.26 108.72 3hf9 n ASN 174 Ca -0.00 0.02 -0.31 0.00 1.68 0.00 0.00 54.58 55.96 3hf9 n ASN 174 Cb 0.46 -1.46 0.16 0.00 -1.54 0.00 0.00 39.78 37.41 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hf9 n ALA 175 N -0.76 -0.87 -1.28 5.41 0.00 -1.18 -4.26 120.51 117.58 3hf9 n ALA 175 Ca -0.05 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 3hf9 n ALA 175 Cb 0.46 -2.18 0.18 0.00 0.00 0.00 0.00 19.45 17.92 3hf9 n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hf9 s SER 176 N -2.56 2.41 0.04 0.00 1.04 -1.26 -1.65 113.70 111.73 3hf9 s SER 176 Ca 0.67 0.94 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 3hf9 s SER 176 Cb -0.23 -1.45 -0.18 0.00 0.10 0.00 0.00 66.02 64.26 3hf9 s SER 176 CO 0.58 -3.23 1.39 0.25 0.98 0.00 0.00 173.24 173.21 3hf9 h LEU 177 N -1.97 -0.77 -2.11 2.42 5.85 -1.99 -1.91 115.31 114.83 3hf9 h LEU 177 Ca -0.51 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.27 3hf9 h LEU 177 Cb 1.32 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 3hf9 h LEU 177 CO 0.52 -0.46 0.18 0.00 -0.34 0.00 0.00 178.44 178.35 3hf9 h THR 178 N -1.06 0.71 0.51 1.05 1.03 -1.93 -0.82 112.91 112.39 3hf9 h THR 178 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.28 3hf9 h THR 178 Cb 0.73 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 3hf9 h THR 178 CO 0.15 0.00 -0.24 0.44 -0.01 0.00 0.00 175.52 175.86 3hf9 h ASP 179 N 0.00 -0.58 -0.93 0.00 3.45 -1.87 -3.01 116.42 113.48 3hf9 h ASP 179 Ca 0.10 0.02 0.21 0.00 0.43 0.00 0.00 57.03 57.80 3hf9 h ASP 179 Cb 0.47 0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 39.32 3hf9 h ASP 179 CO -0.00 -0.19 0.61 0.00 -1.57 0.00 0.00 179.24 178.09 3hf9 h ALA 180 N -1.25 2.21 -0.61 3.45 0.00 -0.94 -0.36 119.26 121.76 3hf9 h ALA 180 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hf9 h ALA 180 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hf9 h ALA 180 CO 0.11 -0.52 0.33 1.25 0.00 0.00 0.00 179.25 180.42 3hf9 h LEU 181 N 0.41 0.77 -0.05 0.00 5.85 -1.20 -1.58 115.31 119.51 3hf9 h LEU 181 Ca 0.49 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 3hf9 h LEU 181 Cb 1.23 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3hf9 h LEU 181 CO -0.20 0.65 0.00 0.03 -0.34 0.00 0.00 178.44 178.59 3hf9 h ARG 182 N 0.83 0.08 -0.98 1.25 3.08 -0.95 -1.43 114.38 116.27 3hf9 h ARG 182 Ca 0.21 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.42 3hf9 h ARG 182 Cb 0.06 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.01 3hf9 h ARG 182 CO -0.03 0.34 0.61 0.82 -1.07 0.00 0.00 179.97 180.63 3hf9 h ILE 183 N -0.18 0.73 0.23 2.04 2.04 -1.24 0.22 117.51 121.36 3hf9 h ILE 183 Ca 0.01 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3hf9 h ILE 183 Cb 0.30 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3hf9 h ILE 183 CO 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 178.15 178.17 3hf9 h ALA 184 N 1.62 -0.31 -0.98 1.87 0.00 -1.16 -1.39 119.26 118.92 3hf9 h ALA 184 Ca 0.54 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.38 3hf9 h ALA 184 Cb 0.92 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 3hf9 h ALA 184 CO -0.31 -0.37 0.62 0.28 0.00 0.00 0.00 179.25 179.47 3hf9 h VAL 185 N -0.92 0.89 0.57 0.00 2.07 -0.83 -0.20 116.25 117.85 3hf9 h VAL 185 Ca -0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3hf9 h VAL 185 Cb 0.49 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3hf9 h VAL 185 CO 0.05 0.17 -0.42 0.00 0.02 0.00 0.00 177.57 177.39 3hf9 h ALA 186 N 1.56 -1.17 -0.35 1.67 0.00 -0.58 -2.37 119.26 118.01 3hf9 h ALA 186 Ca 0.49 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.31 3hf9 h ALA 186 Cb 0.55 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hf9 h ALA 186 CO -0.25 -1.16 0.32 0.00 0.00 0.00 0.00 179.25 178.16 3hf9 h ALA 187 N -1.21 2.12 -0.02 0.00 0.00 -0.55 0.30 119.26 119.90 3hf9 h ALA 187 Ca -0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3hf9 h ALA 187 Cb 0.78 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hf9 h ALA 187 CO 0.04 -0.50 -0.65 -0.07 0.00 0.00 0.00 179.25 178.06 3hf9 h LEU 188 N 0.00 0.10 -0.68 0.00 3.38 -0.81 -3.28 115.31 114.01 3hf9 h LEU 188 Ca 0.17 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.21 3hf9 h LEU 188 Cb 0.80 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 3hf9 h LEU 188 CO -0.00 0.73 0.19 0.03 0.09 0.00 0.00 178.44 179.47 3hf9 h ARG 189 N 0.06 0.31 0.00 1.13 3.08 0.12 -3.49 114.38 115.59 3hf9 h ARG 189 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 189 Cb 1.16 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hf9 h ARG 189 CO 0.09 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 3hf9 n ALA 190 N -2.59 0.34 0.00 0.04 0.00 -1.24 -5.13 120.51 111.93 3hf9 n ALA 190 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3hf9 n ALA 190 Cb 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.12 0.00 0.01 0.00 0.24 -1.26 -4.66 118.33 112.54 3hf9 n VAL 205 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3hf9 n VAL 205 Cb 0.00 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.48 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 -0.56 2.26 -0.93 2.33 0.00 -1.26 -4.35 120.51 118.00 3hf9 n ALA 206 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 53.44 52.55 3hf9 n ALA 206 Cb 0.00 -0.39 0.36 0.00 0.00 0.00 0.00 19.45 19.43 3hf9 n ALA 206 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hf9 n SER 207 N 0.48 5.20 -4.23 0.00 7.64 -1.26 -4.87 113.62 116.57 3hf9 n SER 207 Ca 0.09 -2.96 -0.28 0.00 1.01 0.00 0.00 58.87 56.74 3hf9 n SER 207 Cb 0.37 -0.64 -0.16 0.00 -1.01 0.00 0.00 64.21 62.76 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hf9 s LEU 208 N -2.78 2.04 -0.25 -3.43 1.43 -1.25 -0.82 118.68 113.62 3hf9 s LEU 208 Ca 0.51 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3hf9 s LEU 208 Cb 0.40 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.50 3hf9 s LEU 208 CO 0.14 0.26 -0.00 -0.70 0.23 0.00 0.00 176.35 176.28 3hf9 s GLU 209 N -0.49 3.23 0.02 1.70 2.12 -0.31 -4.85 118.70 120.13 3hf9 s GLU 209 Ca 0.08 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.73 3hf9 s GLU 209 Cb -0.09 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3hf9 s GLU 209 CO -0.01 -0.30 -0.16 0.08 -0.54 0.00 0.00 175.26 174.33 3hf9 s VAL 210 N 1.47 1.30 0.12 3.70 1.01 -1.26 -1.73 120.40 125.00 3hf9 s VAL 210 Ca 0.04 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 3hf9 s VAL 210 Cb -0.15 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.17 3hf9 s VAL 210 CO -0.01 0.17 0.62 0.00 0.00 0.00 0.00 175.10 175.87 3hf9 s ALA 211 N -0.68 -1.63 0.05 5.51 0.00 -0.91 -1.98 121.76 122.11 3hf9 s ALA 211 Ca 0.05 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3hf9 s ALA 211 Cb -0.07 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3hf9 s ALA 211 CO 0.01 -0.70 -0.07 0.14 0.00 0.00 0.00 175.76 175.13 3hf9 s VAL 212 N -3.31 0.54 -0.53 0.00 -7.23 0.18 -0.87 120.40 109.17 3hf9 s VAL 212 Ca -0.01 -1.19 -0.16 0.00 -1.81 0.00 0.00 61.98 58.81 3hf9 s VAL 212 Cb -0.01 -0.74 0.12 0.00 0.56 0.00 0.00 36.38 36.32 3hf9 s VAL 212 CO -0.09 -0.46 0.49 -0.22 -0.31 0.00 0.00 175.10 174.51 3hf9 s LEU 213 N -1.77 6.12 -0.33 1.32 2.96 0.21 -1.77 118.68 125.42 3hf9 s LEU 213 Ca -0.07 -1.75 -0.22 0.00 -0.22 0.00 0.00 54.13 51.87 3hf9 s LEU 213 Cb -0.08 -2.20 -0.00 0.00 0.50 0.00 0.00 46.19 44.41 3hf9 s LEU 213 CO -0.00 -0.84 0.70 -0.62 -1.32 0.00 0.00 176.35 174.27 3hf9 s ASP 214 N 3.48 6.53 0.00 3.68 2.15 -0.36 -2.32 116.67 129.84 3hf9 s ASP 214 Ca 0.03 0.41 0.15 0.00 0.43 0.00 0.00 52.55 53.58 3hf9 s ASP 214 Cb -0.29 -2.36 0.92 0.00 -0.30 0.00 0.00 42.92 40.88 3hf9 s ASP 214 CO 0.03 -0.59 1.55 0.00 -0.17 0.00 0.00 175.17 175.99 3hf9 n ALA 215 N 6.11 2.53 0.89 3.66 0.00 -0.60 -3.02 120.51 130.09 3hf9 n ALA 215 Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.45 3hf9 n ALA 215 Cb 0.48 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.71 3hf9 n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hf9 n ASN 216 N -0.76 2.17 -4.79 0.00 5.15 -1.26 -4.54 115.26 111.24 3hf9 n ASN 216 Ca 0.12 -1.59 -0.37 0.00 -0.60 0.00 0.00 54.58 52.14 3hf9 n ASN 216 Cb 0.05 0.32 -0.06 0.00 -0.53 0.00 0.00 39.78 39.56 3hf9 n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hf9 s ARG 217 N -2.11 4.54 0.11 1.20 1.81 -1.17 -5.01 118.95 118.32 3hf9 s ARG 217 Ca 0.19 1.24 -0.18 0.00 -1.72 0.00 0.00 55.73 55.26 3hf9 s ARG 217 Cb 0.17 -2.88 -0.05 0.00 -0.45 0.00 0.00 34.95 31.73 3hf9 s ARG 217 CO 0.43 0.34 1.66 -1.35 -0.68 0.00 0.00 175.30 175.70 3hf9 h PRO 218 N 3.36 0.41 0.00 3.54 0.11 -1.91 -3.41 132.00 134.11 3hf9 h PRO 218 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3hf9 h PRO 218 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hf9 h PRO 218 CO 0.65 0.43 -0.25 -2.13 -0.21 0.00 0.00 178.00 176.49 3hf9 n ARG 219 N -4.76 0.00 -3.11 1.05 0.63 -1.26 -4.44 116.66 104.77 3hf9 n ARG 219 Ca -0.02 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.48 3hf9 n ARG 219 Cb 0.13 -0.31 -0.07 0.00 0.45 0.00 0.00 32.46 32.66 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 3.32 0.09 -0.14 0.52 -1.26 -4.38 118.95 115.09 3hf9 s ARG 220 Ca 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3hf9 s ARG 220 Cb 0.00 -3.94 -0.25 0.00 0.52 0.00 0.00 34.95 31.29 3hf9 s ARG 220 CO 0.00 -0.98 1.17 0.00 0.02 0.00 0.00 175.30 175.51 3hf9 h ALA 221 N 8.84 0.15 -2.77 2.13 0.00 -1.61 -3.45 119.26 122.55 3hf9 h ALA 221 Ca -0.25 -0.85 -0.53 0.00 0.00 0.00 0.00 54.91 53.27 3hf9 h ALA 221 Cb 1.10 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.95 3hf9 h ALA 221 CO 0.89 0.95 0.78 0.12 0.00 0.00 0.00 179.25 181.99 3hf9 s PHE 222 N -2.76 2.95 -0.18 0.00 5.36 -1.26 -1.22 117.98 120.87 3hf9 s PHE 222 Ca -0.04 1.00 -0.09 0.00 -0.96 0.00 0.00 56.93 56.84 3hf9 s PHE 222 Cb 0.07 -3.87 0.07 0.00 -0.34 0.00 0.00 43.02 38.95 3hf9 s PHE 222 CO 0.88 -2.83 0.42 0.50 -1.46 0.00 0.00 175.22 172.73 3hf9 s ARG 223 N -0.53 0.37 0.01 10.12 3.52 -0.73 -4.93 118.95 126.79 3hf9 s ARG 223 Ca 0.59 0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 56.93 3hf9 s ARG 223 Cb -0.43 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 32.99 3hf9 s ARG 223 CO 0.45 -0.19 0.40 1.03 -0.81 0.00 0.00 175.30 176.18 3hf9 s ARG 224 N 1.79 3.86 -0.19 5.12 0.52 -1.26 -0.65 118.95 128.14 3hf9 s ARG 224 Ca -0.07 0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 55.45 3hf9 s ARG 224 Cb -0.09 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 3hf9 s ARG 224 CO -0.13 0.66 -0.08 0.42 0.02 0.00 0.00 175.30 176.19 3hf9 s ILE 225 N -1.15 3.20 0.05 1.52 1.01 -0.84 -4.96 121.20 120.03 3hf9 s ILE 225 Ca 0.26 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3hf9 s ILE 225 Cb -0.16 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3hf9 s ILE 225 CO 0.14 0.47 0.08 0.28 0.00 0.00 0.00 174.94 175.91 3hf9 s THR 226 N 1.05 0.16 0.00 2.92 -1.32 -1.26 -4.25 115.64 112.93 3hf9 s THR 226 Ca 0.00 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 3hf9 s THR 226 Cb -0.15 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 3hf9 s THR 226 CO -0.01 -0.72 0.00 0.61 -2.21 0.00 0.00 174.62 172.29 3hf9 n GLY 227 N 0.40 3.97 0.35 6.08 0.00 -1.26 -2.83 105.19 111.90 3hf9 n GLY 227 Ca -0.17 0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 0.79 -0.70 1.61 0.02 -1.98 -2.40 113.55 110.90 3hf9 h SER 228 Ca 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3hf9 h SER 228 Cb 0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3hf9 h SER 228 CO 0.00 0.54 0.37 0.00 -1.14 0.00 0.00 176.83 176.60 3hf9 h ALA 229 N 1.56 0.89 -0.02 3.77 0.00 -1.91 0.52 119.26 124.07 3hf9 h ALA 229 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 229 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hf9 h ALA 229 CO -0.09 0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 179.51 3hf9 h LEU 230 N 0.96 0.05 -0.32 0.00 3.38 -1.66 -3.00 115.31 114.72 3hf9 h LEU 230 Ca 0.24 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3hf9 h LEU 230 Cb 0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3hf9 h LEU 230 CO -0.04 0.42 -0.35 -0.61 0.09 0.00 0.00 178.44 177.96 3hf9 h GLN 231 N -0.33 -0.31 0.00 1.13 5.75 -1.32 -1.94 115.11 118.10 3hf9 h GLN 231 Ca 0.01 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3hf9 h GLN 231 Cb 0.40 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3hf9 h GLN 231 CO 0.00 -0.20 0.00 0.00 -2.65 0.00 0.00 178.83 175.98 3hf9 n ALA 232 N -2.97 1.30 1.29 3.38 0.00 0.18 0.36 120.51 124.05 3hf9 n ALA 232 Ca -0.01 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.70 3hf9 n ALA 232 Cb 0.34 -1.32 0.35 0.00 0.00 0.00 0.00 19.45 18.82 3hf9 n ALA 232 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 233 N -2.17 1.73 0.00 0.00 4.77 -0.74 -5.08 117.00 115.50 3hf9 n LEU 233 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3hf9 n LEU 233 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3hf9 n LEU 233 CO 0.13 0.30 0.21 0.18 -1.33 0.00 0.00 177.39 176.88