#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 n GLN 11 N 0.00 0.65 0.25 3.44 1.13 -1.26 -4.14 117.38 117.45 3hf9 n GLN 11 Ca 0.00 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.24 3hf9 n GLN 11 Cb 0.00 -1.64 0.87 0.00 0.11 0.00 0.00 30.24 29.58 3hf9 n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hf9 h ALA 12 N 1.61 1.57 0.00 -1.58 0.00 -2.06 -0.94 119.26 117.87 3hf9 h ALA 12 Ca -0.17 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 3hf9 h ALA 12 Cb 1.45 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 3hf9 h ALA 12 CO 0.02 -0.33 -1.99 -0.12 0.00 0.00 0.00 179.25 176.83 3hf9 n MET 13 N -3.35 1.07 0.01 0.00 0.00 -1.26 -4.00 117.12 109.59 3hf9 n MET 13 Ca 0.01 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.70 57.53 3hf9 n MET 13 Cb 0.36 -1.41 -0.14 0.00 0.00 0.00 0.00 33.22 32.03 3hf9 n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hf9 h ARG 14 N 0.00 0.07 0.32 2.12 3.08 -1.68 -2.64 114.38 115.66 3hf9 h ARG 14 Ca -0.28 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 3hf9 h ARG 14 Cb 1.56 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 3hf9 h ARG 14 CO 0.02 0.77 -0.20 1.49 -1.07 0.00 0.00 179.97 180.97 3hf9 h GLU 15 N 0.02 -0.49 -0.28 0.04 4.81 -1.39 -1.39 114.58 115.91 3hf9 h GLU 15 Ca -0.24 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3hf9 h GLU 15 Cb 1.97 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 31.43 3hf9 h GLU 15 CO 0.10 -0.32 0.04 0.00 -0.73 0.00 0.00 179.01 178.10 3hf9 h ARG 16 N -0.50 0.14 -0.48 1.92 3.08 -1.69 -0.99 114.38 115.86 3hf9 h ARG 16 Ca -0.03 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.15 3hf9 h ARG 16 Cb 0.42 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3hf9 h ARG 16 CO 0.03 0.09 0.38 1.03 -1.07 0.00 0.00 179.97 180.44 3hf9 h SER 17 N 0.14 0.00 0.04 7.04 0.87 -1.32 -1.71 113.55 118.61 3hf9 h SER 17 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3hf9 h SER 17 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3hf9 h SER 17 CO -0.18 0.00 -0.02 -0.33 -0.53 0.00 0.00 176.83 175.77 3hf9 h GLU 18 N 0.00 -0.05 -0.75 2.24 4.39 -0.06 -2.27 114.58 118.07 3hf9 h GLU 18 Ca 0.23 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.07 3hf9 h GLU 18 Cb 0.99 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.52 3hf9 h GLU 18 CO -0.00 0.47 -0.27 1.25 -1.16 0.00 0.00 179.01 179.29 3hf9 h LEU 19 N -0.96 -0.98 0.68 1.33 5.85 -0.91 0.26 115.31 120.58 3hf9 h LEU 19 Ca -0.01 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3hf9 h LEU 19 Cb 0.55 0.56 0.01 0.00 0.37 0.00 0.00 40.66 42.14 3hf9 h LEU 19 CO 0.01 -0.28 -0.33 0.00 -0.34 0.00 0.00 178.44 177.50 3hf9 h ALA 20 N 1.46 -0.92 -0.08 1.25 0.00 -1.45 -2.18 119.26 117.34 3hf9 h ALA 20 Ca 0.32 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 20 Cb 0.57 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hf9 h ALA 20 CO -0.79 -0.99 0.06 -0.09 0.00 0.00 0.00 179.25 177.44 3hf9 h ARG 21 N -0.97 0.00 0.16 0.00 2.43 -0.71 -1.89 114.38 113.41 3hf9 h ARG 21 Ca -0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3hf9 h ARG 21 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3hf9 h ARG 21 CO 0.15 0.00 -0.08 0.87 -1.51 0.00 0.00 179.97 179.41 3hf9 h LYS 22 N 0.00 -0.21 -0.78 0.20 1.57 -0.46 -2.65 116.57 114.24 3hf9 h LYS 22 Ca 0.04 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.01 3hf9 h LYS 22 Cb 0.16 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3hf9 h LYS 22 CO -0.00 0.22 0.53 0.78 -0.57 0.00 0.00 179.45 180.41 3hf9 h GLY 23 N -0.81 0.60 1.44 3.86 0.00 -0.77 -0.33 103.07 107.05 3hf9 h GLY 23 Ca -0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 47.33 46.95 3hf9 h GLY 23 CO 0.04 0.03 -0.85 -2.22 0.00 0.00 0.00 176.54 173.54 3hf9 h ILE 24 N 0.32 1.35 0.00 2.60 2.04 -1.43 -3.03 117.51 119.36 3hf9 h ILE 24 Ca 0.39 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3hf9 h ILE 24 Cb 1.04 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3hf9 h ILE 24 CO -0.11 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3hf9 n ALA 25 N -2.56 1.94 0.88 1.87 0.00 -0.19 -1.57 120.51 120.88 3hf9 n ALA 25 Ca -0.07 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.40 3hf9 n ALA 25 Cb 0.78 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.37 1.81 -3.27 0.00 1.74 -0.86 -4.08 116.66 110.64 3hf9 n ARG 26 Ca 0.07 -1.56 -0.18 0.00 -0.77 0.00 0.00 57.85 55.41 3hf9 n ARG 26 Cb 0.17 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.88 4.36 0.58 7.54 0.00 -0.97 -4.92 121.76 126.46 3hf9 s ALA 27 Ca 0.23 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 3hf9 s ALA 27 Cb 0.17 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3hf9 s ALA 27 CO 0.32 -0.15 1.25 0.15 0.00 0.00 0.00 175.76 177.34 3hf9 s LYS 28 N -4.25 3.02 0.40 0.00 -0.14 -1.26 -1.63 119.74 115.88 3hf9 s LYS 28 Ca 0.50 1.95 -0.09 0.00 -1.36 0.00 0.00 55.97 56.97 3hf9 s LYS 28 Cb -0.10 -2.04 -0.06 0.00 -1.68 0.00 0.00 37.83 33.95 3hf9 s LYS 28 CO 0.32 -1.20 0.74 -1.12 -0.76 0.00 0.00 175.35 173.33 3hf9 s SER 29 N -1.39 6.49 0.02 2.83 0.01 -1.26 -4.31 113.70 116.09 3hf9 s SER 29 Ca 0.76 1.07 0.00 0.00 1.31 0.00 0.00 55.95 59.09 3hf9 s SER 29 Cb -0.34 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3hf9 s SER 29 CO 0.38 -0.39 -0.03 -0.69 0.41 0.00 0.00 173.24 172.92 3hf9 s VAL 30 N -2.36 0.15 -0.01 3.43 1.01 0.12 -2.29 120.40 120.46 3hf9 s VAL 30 Ca 0.50 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3hf9 s VAL 30 Cb -0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 3hf9 s VAL 30 CO 0.32 -0.30 -0.05 -0.69 0.00 0.00 0.00 175.10 174.38 3hf9 s VAL 31 N -0.94 0.45 -0.06 2.92 1.01 0.33 -1.24 120.40 122.87 3hf9 s VAL 31 Ca -0.09 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3hf9 s VAL 31 Cb -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3hf9 s VAL 31 CO -0.00 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.15 3hf9 s ALA 32 N -0.01 0.97 0.03 5.51 0.00 -0.43 -0.49 121.76 127.35 3hf9 s ALA 32 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 3hf9 s ALA 32 Cb -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3hf9 s ALA 32 CO -0.00 -0.00 -0.03 -0.48 0.00 0.00 0.00 175.76 175.25 3hf9 s LEU 33 N 0.90 2.34 -0.27 0.00 2.34 -0.34 -0.22 118.68 123.42 3hf9 s LEU 33 Ca -0.11 -0.72 -0.08 0.00 0.06 0.00 0.00 54.13 53.28 3hf9 s LEU 33 Cb -0.15 0.16 -0.02 0.00 -0.56 0.00 0.00 46.19 45.62 3hf9 s LEU 33 CO 0.01 -0.44 0.10 0.00 -1.06 0.00 0.00 176.35 174.96 3hf9 s ALA 34 N -2.56 3.20 0.58 1.48 0.00 -0.83 0.34 121.76 123.97 3hf9 s ALA 34 Ca -0.06 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 50.77 3hf9 s ALA 34 Cb -0.02 -2.18 0.09 0.00 0.00 0.00 0.00 23.12 21.00 3hf9 s ALA 34 CO -0.05 -0.64 0.78 1.52 0.00 0.00 0.00 175.76 177.37 3hf9 s TYR 35 N 1.61 1.33 0.23 0.00 -0.85 0.17 -4.29 117.35 115.56 3hf9 s TYR 35 Ca 0.06 -0.76 -0.08 0.00 -0.52 0.00 0.00 57.07 55.77 3hf9 s TYR 35 Cb -0.16 -2.17 0.20 0.00 0.38 0.00 0.00 41.96 40.21 3hf9 s TYR 35 CO 0.05 -1.15 1.90 0.00 -1.52 0.00 0.00 175.55 174.82 3hf9 h ALA 36 N 0.19 1.11 -0.70 9.51 0.00 -1.65 -2.54 119.26 125.18 3hf9 h ALA 36 Ca -0.30 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3hf9 h ALA 36 Cb 1.29 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hf9 h ALA 36 CO 0.42 0.52 0.18 0.78 0.00 0.00 0.00 179.25 181.15 3hf9 h GLY 37 N 1.19 1.18 0.00 0.00 0.00 -1.89 -3.49 103.07 100.06 3hf9 h GLY 37 Ca 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3hf9 h GLY 37 CO -0.07 0.67 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3hf9 n GLY 38 N -0.73 -0.49 3.76 4.60 0.00 -0.96 -3.25 105.19 108.13 3hf9 n GLY 38 Ca 0.05 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.01 4.43 -0.11 1.61 1.01 -1.17 0.46 120.40 123.62 3hf9 s VAL 39 Ca 0.00 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.73 3hf9 s VAL 39 Cb 0.00 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3hf9 s VAL 39 CO 0.00 0.47 -0.15 -0.22 0.00 0.00 0.00 175.10 175.20 3hf9 s LEU 40 N -0.83 2.60 -0.16 3.92 2.96 0.15 -0.30 118.68 127.03 3hf9 s LEU 40 Ca 0.37 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3hf9 s LEU 40 Cb -0.23 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3hf9 s LEU 40 CO 0.26 0.19 -0.07 -0.36 -1.32 0.00 0.00 176.35 175.05 3hf9 s PHE 41 N 0.17 2.93 -0.06 5.38 0.08 0.02 -1.20 117.98 125.30 3hf9 s PHE 41 Ca -0.09 -0.57 -0.01 0.00 0.12 0.00 0.00 56.93 56.39 3hf9 s PHE 41 Cb -0.15 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3hf9 s PHE 41 CO 0.05 -0.21 0.00 0.08 -0.10 0.00 0.00 175.22 175.04 3hf9 s VAL 42 N 0.60 0.33 0.03 -0.44 1.01 0.35 -2.21 120.40 120.07 3hf9 s VAL 42 Ca -0.05 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3hf9 s VAL 42 Cb -0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3hf9 s VAL 42 CO 0.03 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.24 3hf9 s ALA 43 N 1.72 0.96 -0.08 5.51 0.00 -0.77 -0.51 121.76 128.59 3hf9 s ALA 43 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 3hf9 s ALA 43 Cb -0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3hf9 s ALA 43 CO -0.04 0.16 1.09 -1.83 0.00 0.00 0.00 175.76 175.15 3hf9 s GLU 44 N -1.04 4.39 -0.26 0.00 -1.05 -0.97 -1.43 118.70 118.34 3hf9 s GLU 44 Ca -0.00 1.52 -0.01 0.00 -0.15 0.00 0.00 54.97 56.32 3hf9 s GLU 44 Cb -0.07 -3.55 0.15 0.00 -0.44 0.00 0.00 34.13 30.22 3hf9 s GLU 44 CO 0.01 -0.37 0.43 1.21 0.95 0.00 0.00 175.26 177.49 3hf9 s ASN 45 N 1.26 -0.12 -0.01 0.83 3.84 0.08 -4.64 114.94 116.18 3hf9 s ASN 45 Ca 0.52 0.27 -0.25 0.00 0.21 0.00 0.00 52.86 53.61 3hf9 s ASN 45 Cb -0.21 1.35 -0.18 0.00 -0.55 0.00 0.00 41.25 41.66 3hf9 s ASN 45 CO 0.20 -0.30 1.24 -0.65 -2.79 0.00 0.00 177.10 174.79 3hf9 h PRO 46 N 8.14 -0.13 -6.73 0.43 0.11 -1.89 -3.31 132.00 128.62 3hf9 h PRO 46 Ca -0.18 0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.36 3hf9 h PRO 46 Cb 1.15 0.03 0.15 0.00 0.11 0.00 0.00 31.00 32.44 3hf9 h PRO 46 CO 0.27 0.28 0.14 0.45 -0.21 0.00 0.00 178.00 178.93 3hf9 n SER 47 N -4.95 1.04 -0.55 -2.05 2.88 -1.26 -4.85 113.62 103.88 3hf9 n SER 47 Ca -0.09 0.93 0.09 0.00 -1.33 0.00 0.00 58.87 58.47 3hf9 n SER 47 Cb 0.24 -1.37 0.04 0.00 -0.75 0.00 0.00 64.21 62.36 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 -0.35 1.57 0.00 -1.46 1.85 -1.26 -4.54 116.66 112.47 3hf9 n ARG 48 Ca 0.11 -1.20 0.00 0.00 -1.00 0.00 0.00 57.85 55.76 3hf9 n ARG 48 Cb 0.43 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 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 0.44 4.94 -4.64 2.89 3.41 -1.26 -5.01 113.62 114.39 3hf9 n SER 49 Ca 0.09 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.33 3hf9 n SER 49 Cb 0.41 0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 65.12 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 -3.22 4.05 -0.04 1.04 1.43 -1.26 -5.08 118.68 115.59 3hf9 s LEU 50 Ca 0.00 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3hf9 s LEU 50 Cb 0.00 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3hf9 s LEU 50 CO 0.00 0.05 -0.21 -1.10 0.23 0.00 0.00 176.35 175.32 3hf9 s GLN 51 N 1.15 2.37 0.00 1.70 -0.21 -1.26 -4.82 119.66 118.59 3hf9 s GLN 51 Ca 0.07 -0.84 0.14 0.00 0.02 0.00 0.00 55.36 54.75 3hf9 s GLN 51 Cb -0.14 -2.20 -0.12 0.00 1.00 0.00 0.00 33.01 31.55 3hf9 s GLN 51 CO 0.05 0.54 0.61 1.63 -2.12 0.00 0.00 175.29 176.00 3hf9 n LYS 52 N 2.52 2.41 -4.95 2.91 5.02 -1.26 -4.94 118.16 119.87 3hf9 n LYS 52 Ca -0.17 -0.12 -0.26 0.00 -2.02 0.00 0.00 58.31 55.74 3hf9 n LYS 52 Cb 0.52 -1.15 -0.16 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.19 1.55 0.26 -0.18 1.01 -1.26 -1.32 121.20 119.07 3hf9 s ILE 53 Ca 0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 3hf9 s ILE 53 Cb 0.10 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.31 3hf9 s ILE 53 CO 0.52 0.44 0.71 -0.55 0.00 0.00 0.00 174.94 176.06 3hf9 s SER 54 N -0.40 -0.30 -0.20 3.58 0.15 0.88 -4.99 113.70 112.41 3hf9 s SER 54 Ca 0.06 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 56.05 3hf9 s SER 54 Cb -0.08 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 3hf9 s SER 54 CO -0.00 -1.29 0.28 -0.70 1.20 0.00 0.00 173.24 172.73 3hf9 s GLU 55 N -3.88 4.17 -0.17 5.44 2.12 -1.26 -0.36 118.70 124.75 3hf9 s GLU 55 Ca 0.10 0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.51 3hf9 s GLU 55 Cb -0.05 -3.50 -0.22 0.00 0.26 0.00 0.00 34.13 30.61 3hf9 s GLU 55 CO 0.04 0.09 0.15 1.28 -0.54 0.00 0.00 175.26 176.28 3hf9 n LEU 56 N 4.11 1.57 0.00 2.70 4.77 -0.67 -4.93 117.00 124.55 3hf9 n LEU 56 Ca -0.12 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 3hf9 n LEU 56 Cb 0.52 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3hf9 n LEU 56 CO 0.38 0.68 0.03 0.00 -1.33 0.00 0.00 177.39 177.15 3hf9 n TYR 57 N -3.10 -0.80 -0.18 -1.77 9.36 -0.65 -4.66 117.16 115.37 3hf9 n TYR 57 Ca -0.34 -0.19 -0.05 0.00 3.32 0.00 0.00 57.90 60.65 3hf9 n TYR 57 Cb 1.07 0.06 0.04 0.00 -0.63 0.00 0.00 39.34 39.88 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hf9 h ASP 58 N 0.17 0.50 -0.07 2.98 3.32 -1.94 -3.26 116.42 118.12 3hf9 h ASP 58 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hf9 h ASP 58 Cb 0.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hf9 h ASP 58 CO 0.03 0.35 0.00 0.54 -1.72 0.00 0.00 179.24 178.44 3hf9 n ARG 59 N -4.80 1.04 -5.21 3.56 5.12 -1.26 0.39 116.66 115.50 3hf9 n ARG 59 Ca 0.04 -1.18 -0.31 0.00 -1.93 0.00 0.00 57.85 54.46 3hf9 n ARG 59 Cb 0.09 -1.10 -0.17 0.00 -1.16 0.00 0.00 32.46 30.12 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 -0.65 2.02 0.52 1.55 0.11 -1.23 -2.09 120.40 120.62 3hf9 s VAL 60 Ca 0.07 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.15 3hf9 s VAL 60 Cb 0.04 -1.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.17 3hf9 s VAL 60 CO 0.06 0.56 0.24 -0.83 -3.33 0.00 0.00 175.10 171.80 3hf9 s GLY 61 N 0.15 2.59 -0.13 6.54 0.00 -0.23 -1.63 107.32 114.60 3hf9 s GLY 61 Ca -0.13 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 3hf9 s GLY 61 CO 0.07 -2.02 0.32 -0.12 0.00 0.00 0.00 173.10 171.35 3hf9 s PHE 62 N -2.79 -0.43 0.01 1.90 2.19 0.51 -1.35 117.98 118.02 3hf9 s PHE 62 Ca 0.25 0.98 0.01 0.00 0.33 0.00 0.00 56.93 58.50 3hf9 s PHE 62 Cb -0.00 0.14 -0.01 0.00 -1.31 0.00 0.00 43.02 41.84 3hf9 s PHE 62 CO 0.15 -0.25 -0.04 0.00 1.83 0.00 0.00 175.22 176.91 3hf9 s ALA 63 N 1.02 0.29 0.05 11.12 0.00 -0.14 -0.09 121.76 134.02 3hf9 s ALA 63 Ca -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 3hf9 s ALA 63 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3hf9 s ALA 63 CO -0.08 0.01 0.01 0.00 0.00 0.00 0.00 175.76 175.71 3hf9 s ALA 64 N -0.50 0.28 0.09 0.00 0.00 -0.44 0.11 121.76 121.30 3hf9 s ALA 64 Ca -0.03 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3hf9 s ALA 64 Cb -0.04 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3hf9 s ALA 64 CO -0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.25 3hf9 s ALA 65 N -3.30 1.46 0.00 0.00 0.00 -0.47 -4.81 121.76 114.65 3hf9 s ALA 65 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3hf9 s ALA 65 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3hf9 s ALA 65 CO -0.08 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3hf9 n GLY 66 N 1.03 0.46 3.64 0.00 0.00 -1.26 -1.61 105.19 107.45 3hf9 n GLY 66 Ca -0.19 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -0.86 4.07 0.04 1.61 2.20 -0.74 -4.91 119.74 121.15 3hf9 s LYS 67 Ca 0.00 1.26 -0.14 0.00 -0.36 0.00 0.00 55.97 56.73 3hf9 s LYS 67 Cb 0.00 -3.77 -0.06 0.00 -1.51 0.00 0.00 37.83 32.49 3hf9 s LYS 67 CO 0.00 -0.90 1.22 0.35 -0.36 0.00 0.00 175.35 175.66 3hf9 h PHE 68 N 8.40 -0.62 -1.77 4.03 3.57 -1.95 -1.87 116.94 126.73 3hf9 h PHE 68 Ca -0.23 0.02 0.51 0.00 3.53 0.00 0.00 57.97 61.80 3hf9 h PHE 68 Cb 1.08 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 40.01 3hf9 h PHE 68 CO 0.83 -0.24 1.30 -2.95 -2.23 0.00 0.00 178.31 175.02 3hf9 h ASN 69 N -0.31 0.00 0.00 0.41 -1.07 -1.99 0.72 115.58 113.33 3hf9 h ASN 69 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 3hf9 h ASN 69 Cb 0.31 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.55 3hf9 h ASN 69 CO -0.11 0.00 -0.37 -0.33 0.07 0.00 0.00 177.43 176.70 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.80 -3.07 114.58 118.92 3hf9 h GLU 70 Ca 0.84 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 59.11 3hf9 h GLU 70 Cb 3.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.67 3hf9 h GLU 70 CO -0.01 0.67 -0.42 0.27 -1.00 0.00 0.00 179.01 178.51 3hf9 h PHE 71 N -1.00 0.00 0.51 4.33 -5.15 -0.50 -2.59 116.94 112.53 3hf9 h PHE 71 Ca -0.08 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.66 3hf9 h PHE 71 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.98 3hf9 h PHE 71 CO 0.12 0.42 -0.24 0.22 -2.00 0.00 0.00 178.31 176.83 3hf9 h ASP 72 N 0.00 -0.57 -0.82 -0.68 3.58 -1.07 -0.78 116.42 116.08 3hf9 h ASP 72 Ca -0.00 -0.05 0.26 0.00 0.42 0.00 0.00 57.03 57.65 3hf9 h ASP 72 Cb 0.77 0.15 -0.15 0.00 1.72 0.00 0.00 39.33 41.82 3hf9 h ASP 72 CO 0.06 -0.28 0.14 -3.20 -2.88 0.00 0.00 179.24 173.08 3hf9 n ASN 73 N -5.31 0.02 -0.13 2.28 5.15 -1.16 -0.41 115.26 115.69 3hf9 n ASN 73 Ca -0.11 1.39 -0.12 0.00 -0.60 0.00 0.00 54.58 55.13 3hf9 n ASN 73 Cb 0.31 -0.55 -0.02 0.00 -0.53 0.00 0.00 39.78 38.99 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 0.89 -0.70 1.20 3.38 -1.02 -2.55 115.31 116.51 3hf9 h LEU 74 Ca 0.56 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3hf9 h LEU 74 Cb 1.26 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3hf9 h LEU 74 CO -0.73 1.11 0.36 -0.09 0.09 0.00 0.00 178.44 179.17 3hf9 h ARG 75 N 0.67 0.60 -0.26 1.13 2.43 0.74 0.11 114.38 119.81 3hf9 h ARG 75 Ca 0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3hf9 h ARG 75 Cb 0.78 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3hf9 h ARG 75 CO 0.06 0.40 0.00 0.00 -1.51 0.00 0.00 179.97 178.93 3hf9 h ARG 76 N 0.62 0.46 -0.83 0.20 3.08 -1.09 -1.86 114.38 114.96 3hf9 h ARG 76 Ca 0.33 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.27 3hf9 h ARG 76 Cb 0.32 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 3hf9 h ARG 76 CO -0.24 0.62 0.55 0.78 -1.07 0.00 0.00 179.97 180.60 3hf9 h GLY 77 N 0.24 1.18 0.91 0.04 0.00 -1.04 0.15 103.07 104.55 3hf9 h GLY 77 Ca 0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3hf9 h GLY 77 CO 0.01 0.38 -0.13 -1.33 0.00 0.00 0.00 176.54 175.47 3hf9 h GLY 78 N 1.06 -0.31 0.80 4.60 0.00 -0.54 0.41 103.07 109.09 3hf9 h GLY 78 Ca 0.32 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.82 3hf9 h GLY 78 CO -0.09 -0.13 0.04 -2.22 0.00 0.00 0.00 176.54 174.14 3hf9 h ILE 79 N -0.31 0.92 -0.44 2.60 2.04 -0.78 0.17 117.51 121.70 3hf9 h ILE 79 Ca -0.01 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3hf9 h ILE 79 Cb 0.27 0.80 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 3hf9 h ILE 79 CO 0.01 0.02 -0.36 1.56 0.00 0.00 0.00 178.15 179.37 3hf9 h GLN 80 N 0.11 -0.25 0.14 2.37 1.08 -0.59 0.17 115.11 118.14 3hf9 h GLN 80 Ca 0.08 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3hf9 h GLN 80 Cb 0.08 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3hf9 h GLN 80 CO -0.11 -0.17 -0.07 0.35 -0.95 0.00 0.00 178.83 177.89 3hf9 h PHE 81 N -0.26 -0.17 0.00 2.96 3.57 -0.21 -2.74 116.94 120.09 3hf9 h PHE 81 Ca 0.17 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3hf9 h PHE 81 Cb 0.56 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 3hf9 h PHE 81 CO -0.59 0.01 -0.32 0.00 -2.23 0.00 0.00 178.31 175.19 3hf9 h ALA 82 N 0.52 -0.46 -0.93 2.41 0.00 -0.41 -1.75 119.26 118.64 3hf9 h ALA 82 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 82 Cb 0.26 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3hf9 h ALA 82 CO 0.03 -0.83 0.60 -0.44 0.00 0.00 0.00 179.25 178.61 3hf9 h ASP 83 N -0.47 0.87 -0.37 0.00 3.32 -0.98 -1.56 116.42 117.23 3hf9 h ASP 83 Ca 0.06 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3hf9 h ASP 83 Cb 0.55 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3hf9 h ASP 83 CO -0.26 0.51 0.08 0.74 -1.72 0.00 0.00 179.24 178.58 3hf9 h THR 84 N 0.96 1.23 -0.04 0.35 2.02 -1.13 -2.32 112.91 113.98 3hf9 h THR 84 Ca 0.43 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hf9 h THR 84 Cb 0.39 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3hf9 h THR 84 CO -0.19 0.27 0.02 0.03 0.37 0.00 0.00 175.52 176.02 3hf9 h ARG 85 N 0.46 0.06 -0.81 6.66 2.47 -0.77 -1.81 114.38 120.64 3hf9 h ARG 85 Ca 0.12 -0.01 0.17 0.00 -1.26 0.00 0.00 59.98 59.00 3hf9 h ARG 85 Cb 0.33 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.58 3hf9 h ARG 85 CO 0.00 0.17 0.54 0.78 0.56 0.00 0.00 179.97 182.02 3hf9 h GLY 86 N -0.06 0.76 1.29 0.04 0.00 -1.25 0.15 103.07 103.99 3hf9 h GLY 86 Ca 0.01 -0.18 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 3hf9 h GLY 86 CO -0.00 0.04 -1.18 -1.82 0.00 0.00 0.00 176.54 173.58 3hf9 h TYR 87 N 0.41 0.96 0.00 5.60 3.20 -1.26 -3.30 116.97 122.57 3hf9 h TYR 87 Ca 0.41 -0.58 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3hf9 h TYR 87 Cb 0.97 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.15 3hf9 h TYR 87 CO -0.00 1.42 -0.20 0.00 -1.64 0.00 0.00 178.16 177.74 3hf9 n ALA 88 N -2.65 2.54 -2.00 1.82 0.00 -0.43 -4.79 120.51 115.00 3hf9 n ALA 88 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3hf9 n ALA 88 Cb 0.96 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.05 0.00 -4.38 0.00 4.01 0.40 -5.06 117.16 110.07 3hf9 n TYR 89 Ca 0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.60 3hf9 n TYR 89 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 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 2.01 0.50 7.72 3.84 -1.24 -4.97 116.67 125.53 3hf9 s ASP 90 Ca 0.00 -1.29 0.32 0.00 -0.00 0.00 0.00 52.55 51.59 3hf9 s ASP 90 Cb 0.00 -0.02 1.33 0.00 -1.38 0.00 0.00 42.92 42.86 3hf9 s ASP 90 CO 0.00 -0.55 1.95 0.03 -0.00 0.00 0.00 175.17 176.60 3hf9 h ARG 91 N 2.33 0.00 -0.18 2.11 3.08 -1.91 -2.99 114.38 116.82 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 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3hf9 h ARG 91 CO 0.66 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.10 3hf9 n ARG 92 N -2.94 1.74 0.17 0.04 1.74 -1.26 -3.47 116.66 112.69 3hf9 n ARG 92 Ca 0.01 -1.12 0.06 0.00 -0.77 0.00 0.00 57.85 56.03 3hf9 n ARG 92 Cb 0.28 -1.38 0.15 0.00 -1.02 0.00 0.00 32.46 30.49 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 2.21 0.00 -3.12 0.55 3.58 -1.90 -3.43 116.42 114.30 3hf9 h ASP 93 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 3hf9 h ASP 93 Cb 0.49 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 3hf9 h ASP 93 CO 0.00 0.35 0.73 -0.69 -2.88 0.00 0.00 179.24 176.75 3hf9 s VAL 94 N -3.16 4.71 0.08 2.25 1.01 -1.23 -4.94 120.40 119.13 3hf9 s VAL 94 Ca 0.04 1.95 0.03 0.00 0.00 0.00 0.00 61.98 63.99 3hf9 s VAL 94 Cb 0.08 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3hf9 s VAL 94 CO 0.71 -0.15 -0.09 0.42 0.00 0.00 0.00 175.10 175.99 3hf9 s THR 95 N 3.09 0.76 0.13 3.92 -4.23 -1.26 -4.96 115.64 113.09 3hf9 s THR 95 Ca 0.43 -1.55 -0.26 0.00 -1.18 0.00 0.00 61.69 59.13 3hf9 s THR 95 Cb -0.15 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 3hf9 s THR 95 CO 0.07 -0.58 1.62 1.23 -0.54 0.00 0.00 174.62 176.41 3hf9 h GLY 96 N 3.70 -0.45 -0.87 3.99 0.00 -1.94 -1.77 103.07 105.73 3hf9 h GLY 96 Ca -0.36 0.36 0.18 0.00 0.00 0.00 0.00 47.33 47.51 3hf9 h GLY 96 CO 0.52 -0.22 -0.24 -0.09 0.00 0.00 0.00 176.54 176.51 3hf9 h ARG 97 N -0.42 -0.00 0.19 4.80 1.12 -1.96 -1.13 114.38 116.98 3hf9 h ARG 97 Ca 0.07 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 3hf9 h ARG 97 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 3hf9 h ARG 97 CO -0.28 -0.00 -0.09 0.37 -3.11 0.00 0.00 179.97 176.86 3hf9 h GLN 98 N -0.00 -0.24 -0.35 0.20 4.15 -1.71 -2.51 115.11 114.64 3hf9 h GLN 98 Ca 0.44 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.93 3hf9 h GLN 98 Cb 0.68 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 3hf9 h GLN 98 CO -0.96 0.11 0.06 -0.07 -1.93 0.00 0.00 178.83 176.03 3hf9 h LEU 99 N -0.64 -0.02 -0.30 -2.39 3.38 -0.80 -1.68 115.31 112.86 3hf9 h LEU 99 Ca -0.03 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3hf9 h LEU 99 Cb 0.46 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3hf9 h LEU 99 CO 0.04 0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.39 3hf9 h ALA 100 N 1.27 -0.03 -0.93 1.53 0.00 -1.24 0.12 119.26 119.99 3hf9 h ALA 100 Ca 0.17 0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.41 3hf9 h ALA 100 Cb 0.20 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 3hf9 h ALA 100 CO -0.23 -0.61 0.44 -0.97 0.00 0.00 0.00 179.25 177.87 3hf9 h ASN 101 N -0.19 0.40 -0.18 0.00 -0.73 -0.92 0.29 115.58 114.25 3hf9 h ASN 101 Ca 0.16 0.16 -0.10 0.00 1.87 0.00 0.00 56.30 58.38 3hf9 h ASN 101 Cb 0.43 0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.14 3hf9 h ASN 101 CO -0.41 0.00 -0.28 0.58 -0.37 0.00 0.00 177.43 176.95 3hf9 h VAL 102 N 0.42 1.34 -0.74 2.57 2.07 -0.09 -1.96 116.25 119.87 3hf9 h VAL 102 Ca 0.59 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3hf9 h VAL 102 Cb 1.15 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 3hf9 h VAL 102 CO -0.53 0.46 0.44 1.88 0.02 0.00 0.00 177.57 179.84 3hf9 h TYR 103 N 0.16 0.97 0.00 1.57 0.05 0.18 -1.39 116.97 118.52 3hf9 h TYR 103 Ca 0.02 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.82 3hf9 h TYR 103 Cb 0.86 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 3hf9 h TYR 103 CO 0.09 0.66 -0.21 0.00 -1.05 0.00 0.00 178.16 177.65 3hf9 h ALA 104 N 1.23 -0.26 0.00 3.88 0.00 -0.33 0.40 119.26 124.18 3hf9 h ALA 104 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hf9 h ALA 104 Cb -0.03 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hf9 h ALA 104 CO -0.05 -0.70 -0.14 1.96 0.00 0.00 0.00 179.25 180.32 3hf9 h GLN 105 N -0.33 0.00 0.02 0.00 4.20 -0.99 0.20 115.11 118.21 3hf9 h GLN 105 Ca 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3hf9 h GLN 105 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3hf9 h GLN 105 CO -0.19 0.14 -0.15 1.15 -0.67 0.00 0.00 178.83 179.11 3hf9 h THR 106 N 0.00 1.75 -0.85 -0.54 2.02 -0.77 -2.13 112.91 112.39 3hf9 h THR 106 Ca -0.00 -2.38 -0.03 0.00 0.77 0.00 0.00 66.41 64.77 3hf9 h THR 106 Cb 0.36 3.36 -0.04 0.00 -1.74 0.00 0.00 68.15 70.09 3hf9 h THR 106 CO 0.02 0.63 0.42 -0.07 0.37 0.00 0.00 175.52 176.89 3hf9 h LEU 107 N -0.89 1.10 -0.30 2.58 3.38 -0.65 -0.18 115.31 120.35 3hf9 h LEU 107 Ca -0.03 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3hf9 h LEU 107 Cb 1.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3hf9 h LEU 107 CO 0.03 0.92 0.08 1.23 0.09 0.00 0.00 178.44 180.78 3hf9 h GLY 108 N 1.22 0.36 0.91 0.83 0.00 -0.69 0.40 103.07 106.09 3hf9 h GLY 108 Ca 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hf9 h GLY 108 CO -0.04 0.00 0.01 -0.84 0.00 0.00 0.00 176.54 175.67 3hf9 h THR 109 N 0.20 1.08 -0.37 4.70 2.02 -0.81 -2.60 112.91 117.12 3hf9 h THR 109 Ca 0.14 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.14 3hf9 h THR 109 Cb 0.13 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3hf9 h THR 109 CO -0.16 0.06 0.12 0.40 0.37 0.00 0.00 175.52 176.30 3hf9 h ILE 110 N -0.07 0.87 -0.07 3.11 2.04 -0.84 0.18 117.51 122.73 3hf9 h ILE 110 Ca 0.01 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3hf9 h ILE 110 Cb 0.09 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3hf9 h ILE 110 CO -0.00 0.05 0.06 0.15 0.00 0.00 0.00 178.15 178.41 3hf9 h PHE 111 N 0.26 0.00 0.00 1.37 3.57 -0.84 -2.00 116.94 119.29 3hf9 h PHE 111 Ca 0.17 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.45 3hf9 h PHE 111 Cb 0.17 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3hf9 h PHE 111 CO -0.16 0.00 -1.23 1.15 -2.23 0.00 0.00 178.31 175.84 3hf9 h THR 112 N 0.00 0.94 0.00 4.41 2.02 -0.91 -3.45 112.91 115.92 3hf9 h THR 112 Ca 0.03 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.03 3hf9 h THR 112 Cb 0.16 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 3hf9 h THR 112 CO -0.00 0.33 -1.19 -0.62 0.37 0.00 0.00 175.52 174.41 3hf9 n GLU 113 N -4.42 1.36 -2.47 6.66 1.02 0.55 -5.00 120.64 118.34 3hf9 n GLU 113 Ca -0.31 -0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.52 3hf9 n GLU 113 Cb 0.68 -1.20 0.08 0.00 -0.02 0.00 0.00 31.44 30.98 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 -2.57 2.08 0.11 3.49 -0.21 -0.76 -5.02 119.66 116.78 3hf9 s GLN 114 Ca -0.01 -0.72 -0.13 0.00 0.02 0.00 0.00 55.36 54.51 3hf9 s GLN 114 Cb 0.08 -2.32 -0.11 0.00 1.00 0.00 0.00 33.01 31.66 3hf9 s GLN 114 CO 0.49 -1.17 1.37 0.00 -2.12 0.00 0.00 175.29 173.86 3hf9 h ALA 115 N -0.39 0.39 -3.83 6.09 0.00 -1.95 -3.43 119.26 116.15 3hf9 h ALA 115 Ca -0.41 -0.51 -0.49 0.00 0.00 0.00 0.00 54.91 53.51 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 0.50 0.60 -0.81 0.21 0.00 0.00 0.00 179.25 179.75 3hf9 s LYS 116 N -4.05 1.32 0.52 0.00 2.20 -1.26 -5.13 119.74 113.34 3hf9 s LYS 116 Ca -0.11 -0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 54.85 3hf9 s LYS 116 Cb 0.09 -1.18 -0.06 0.00 -1.51 0.00 0.00 37.83 35.17 3hf9 s LYS 116 CO 0.88 0.16 1.27 -1.25 -0.36 0.00 0.00 175.35 176.04 3hf9 s PRO 117 N 0.16 3.35 0.05 4.03 0.04 -1.26 -4.85 135.00 136.52 3hf9 s PRO 117 Ca -0.04 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 3hf9 s PRO 117 Cb -0.10 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 3hf9 s PRO 117 CO 0.01 -0.95 1.40 0.71 0.04 0.00 0.00 177.00 178.21 3hf9 s TYR 118 N -1.43 3.01 -1.34 0.56 1.51 -1.26 -4.87 117.35 113.53 3hf9 s TYR 118 Ca 0.69 0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 57.49 3hf9 s TYR 118 Cb -0.35 -3.68 0.11 0.00 -0.11 0.00 0.00 41.96 37.93 3hf9 s TYR 118 CO 0.41 -2.46 1.92 0.39 -1.11 0.00 0.00 175.55 174.70 3hf9 n GLU 119 N 4.76 3.26 -4.19 -0.62 1.02 -1.26 -4.70 120.64 118.90 3hf9 n GLU 119 Ca 0.12 -3.21 -0.11 0.00 -0.02 0.00 0.00 57.16 53.94 3hf9 n GLU 119 Cb 0.43 -3.15 -0.10 0.00 -0.02 0.00 0.00 31.44 28.60 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 2.09 0.03 -0.18 2.62 -7.23 -1.26 -1.80 120.40 114.66 3hf9 s VAL 120 Ca 0.45 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 3hf9 s VAL 120 Cb 0.09 -2.39 0.09 0.00 0.56 0.00 0.00 36.38 34.73 3hf9 s VAL 120 CO -0.02 -0.12 0.36 -0.70 -0.31 0.00 0.00 175.10 174.32 3hf9 s GLU 121 N -4.13 0.27 0.13 4.82 2.12 -0.63 -3.43 118.70 117.84 3hf9 s GLU 121 Ca 0.35 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.61 3hf9 s GLU 121 Cb 0.07 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 3hf9 s GLU 121 CO 0.09 -0.30 0.12 -0.51 -0.54 0.00 0.00 175.26 174.12 3hf9 s LEU 122 N 2.54 3.85 -0.06 2.70 1.02 -0.47 -1.36 118.68 126.89 3hf9 s LEU 122 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.11 3hf9 s LEU 122 Cb -0.12 -2.48 0.02 0.00 0.02 0.00 0.00 46.19 43.63 3hf9 s LEU 122 CO -0.12 0.11 -0.05 0.00 0.02 0.00 0.00 176.35 176.32 3hf9 s VAL 124 N 1.27 3.73 -0.06 0.00 1.01 -0.75 -0.96 120.40 124.64 3hf9 s VAL 124 Ca -0.05 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3hf9 s VAL 124 Cb -0.14 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3hf9 s VAL 124 CO -0.02 0.44 -0.24 0.00 0.00 0.00 0.00 175.10 175.29 3hf9 s ALA 125 N 0.96 2.06 0.12 5.51 0.00 -0.46 -1.16 121.76 128.79 3hf9 s ALA 125 Ca 0.01 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.07 3hf9 s ALA 125 Cb -0.14 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3hf9 s ALA 125 CO 0.01 0.39 -0.21 -2.00 0.00 0.00 0.00 175.76 173.96 3hf9 s GLU 126 N -0.13 1.67 0.21 0.00 2.12 -0.40 -1.07 118.70 121.09 3hf9 s GLU 126 Ca -0.04 -1.24 0.05 0.00 0.36 0.00 0.00 54.97 54.10 3hf9 s GLU 126 Cb -0.13 -2.05 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 3hf9 s GLU 126 CO 0.03 0.47 -0.06 0.54 -0.54 0.00 0.00 175.26 175.71 3hf9 s VAL 127 N -1.14 1.24 0.52 3.70 0.11 -0.89 -2.07 120.40 121.86 3hf9 s VAL 127 Ca 0.17 -2.07 -0.20 0.00 -2.93 0.00 0.00 61.98 56.95 3hf9 s VAL 127 Cb -0.10 -2.17 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 3hf9 s VAL 127 CO 0.09 -0.49 1.07 0.00 -3.33 0.00 0.00 175.10 172.45 3hf9 s ALA 128 N -3.29 2.79 0.73 1.54 0.00 -1.26 -4.88 121.76 117.40 3hf9 s ALA 128 Ca 0.24 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 3hf9 s ALA 128 Cb 0.04 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.91 3hf9 s ALA 128 CO 0.06 -0.52 1.15 -1.01 0.00 0.00 0.00 175.76 175.44 3hf9 s HIS 129 N -1.94 2.27 0.06 0.00 3.76 -1.26 -4.83 115.29 113.35 3hf9 s HIS 129 Ca 0.69 1.60 -0.11 0.00 -0.15 0.00 0.00 55.06 57.09 3hf9 s HIS 129 Cb -0.19 -3.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.19 3hf9 s HIS 129 CO 0.24 -2.19 1.19 0.98 -0.85 0.00 0.00 174.74 174.11 3hf9 n TYR 130 N -2.92 -0.16 0.09 1.40 9.36 -1.26 -2.26 117.16 121.40 3hf9 n TYR 130 Ca 0.11 0.46 -0.12 0.00 3.32 0.00 0.00 57.90 61.67 3hf9 n TYR 130 Cb 0.51 -0.53 -0.05 0.00 -0.63 0.00 0.00 39.34 38.64 3hf9 n TYR 130 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3hf9 h GLY 131 N 0.00 -0.51 -0.84 2.98 0.00 -1.91 -3.46 103.07 99.32 3hf9 h GLY 131 Ca 0.06 0.35 -0.44 0.00 0.00 0.00 0.00 47.33 47.30 3hf9 h GLY 131 CO -0.35 -0.23 0.36 -1.83 0.00 0.00 0.00 176.54 174.49 3hf9 s GLU 132 N -6.03 0.21 -0.05 4.80 -1.05 -0.96 -5.08 118.70 110.54 3hf9 s GLU 132 Ca -0.16 -0.33 0.06 0.00 -0.15 0.00 0.00 54.97 54.40 3hf9 s GLU 132 Cb 0.08 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 31.98 3hf9 s GLU 132 CO 0.65 -2.72 -0.24 0.95 0.95 0.00 0.00 175.26 174.86 3hf9 s THR 133 N -3.68 1.94 -0.27 1.83 -4.23 -1.26 -4.72 115.64 105.24 3hf9 s THR 133 Ca 0.73 -1.01 -0.26 0.00 -1.18 0.00 0.00 61.69 59.98 3hf9 s THR 133 Cb -0.05 -1.64 0.13 0.00 1.34 0.00 0.00 72.50 72.29 3hf9 s THR 133 CO 0.54 0.54 1.10 -0.75 -0.54 0.00 0.00 174.62 175.51 3hf9 s LYS 134 N -0.19 0.44 -0.10 3.99 2.20 -1.26 -5.06 119.74 119.76 3hf9 s LYS 134 Ca -0.02 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 3hf9 s LYS 134 Cb -0.13 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 3hf9 s LYS 134 CO 0.03 -0.07 1.19 0.50 -0.36 0.00 0.00 175.35 176.65 3hf9 s ARG 135 N 0.02 4.32 0.15 4.03 3.52 -1.26 -4.48 118.95 125.24 3hf9 s ARG 135 Ca 0.03 1.63 -0.31 0.00 -0.13 0.00 0.00 55.73 56.95 3hf9 s ARG 135 Cb -0.04 -3.62 -0.18 0.00 -1.56 0.00 0.00 34.95 29.55 3hf9 s ARG 135 CO -0.07 -0.52 0.67 -2.30 -0.81 0.00 0.00 175.30 172.28 3hf9 n PRO 136 N 5.64 0.01 -4.46 5.12 -0.02 -1.26 -4.90 135.00 135.13 3hf9 n PRO 136 Ca 0.12 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 3hf9 n PRO 136 Cb 0.46 -1.14 -0.10 0.00 -0.02 0.00 0.00 33.50 32.70 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -0.73 2.82 -0.02 -0.52 2.02 -0.88 -4.97 118.70 116.42 3hf9 s GLU 137 Ca 0.71 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 55.23 3hf9 s GLU 137 Cb -1.02 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 30.53 3hf9 s GLU 137 CO 0.56 0.67 -0.17 -0.51 0.02 0.00 0.00 175.26 175.83 3hf9 s LEU 138 N -1.03 2.00 -0.02 1.80 1.02 -1.24 -1.28 118.68 119.94 3hf9 s LEU 138 Ca 0.14 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 54.03 3hf9 s LEU 138 Cb -0.11 -0.88 -0.01 0.00 0.02 0.00 0.00 46.19 45.21 3hf9 s LEU 138 CO 0.04 0.19 -0.17 -0.31 0.02 0.00 0.00 176.35 176.13 3hf9 s TYR 139 N -0.30 1.52 -0.21 0.29 1.51 -0.31 -2.94 117.35 116.91 3hf9 s TYR 139 Ca 0.04 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3hf9 s TYR 139 Cb -0.07 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 3hf9 s TYR 139 CO -0.00 -0.05 -0.11 0.50 -1.11 0.00 0.00 175.55 174.78 3hf9 s ARG 140 N -0.30 3.10 -0.15 -0.62 3.52 -0.08 -1.81 118.95 122.62 3hf9 s ARG 140 Ca 0.04 -0.78 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 3hf9 s ARG 140 Cb -0.07 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 3hf9 s ARG 140 CO -0.00 -0.25 0.01 0.42 -0.81 0.00 0.00 175.30 174.67 3hf9 s ILE 141 N 1.37 4.32 0.45 4.11 1.09 -0.69 -0.76 121.20 131.08 3hf9 s ILE 141 Ca 0.04 -0.21 0.07 0.00 -1.10 0.00 0.00 60.65 59.45 3hf9 s ILE 141 Cb -0.14 -2.89 -0.02 0.00 -1.06 0.00 0.00 42.46 38.35 3hf9 s ILE 141 CO -0.07 0.51 0.31 0.42 -0.10 0.00 0.00 174.94 176.01 3hf9 s THR 142 N 0.04 2.24 0.66 2.92 -4.23 -0.64 -1.36 115.64 115.27 3hf9 s THR 142 Ca 0.03 -1.51 0.24 0.00 -1.18 0.00 0.00 61.69 59.26 3hf9 s THR 142 Cb -0.13 -2.76 0.24 0.00 1.34 0.00 0.00 72.50 71.20 3hf9 s THR 142 CO 0.02 0.00 1.74 0.10 -0.54 0.00 0.00 174.62 175.94 3hf9 h TYR 143 N 1.09 0.00 -0.01 3.99 -0.00 -1.84 -0.12 116.97 120.08 3hf9 h TYR 143 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 3hf9 h TYR 143 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 3hf9 h TYR 143 CO 0.69 0.00 -0.35 -0.40 -0.00 0.00 0.00 178.16 178.10 3hf9 n ASP 144 N -2.82 1.85 0.00 0.10 5.75 -1.26 -4.56 116.55 115.61 3hf9 n ASP 144 Ca -0.01 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3hf9 n ASP 144 Cb 0.51 0.43 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 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 1.23 0.18 3.73 6.12 0.00 -0.06 -3.93 105.19 112.46 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 -2.28 6.69 -0.15 1.61 0.01 -1.26 -4.69 113.70 113.62 3hf9 s SER 146 Ca 0.00 2.56 0.01 0.00 1.31 0.00 0.00 55.95 59.83 3hf9 s SER 146 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.65 3hf9 s SER 146 CO 0.00 -0.72 -0.15 -0.51 0.41 0.00 0.00 173.24 172.28 3hf9 s ILE 147 N 0.58 1.59 0.16 1.44 2.07 -1.26 -1.62 121.20 124.16 3hf9 s ILE 147 Ca 0.63 -0.65 0.07 0.00 -1.41 0.00 0.00 60.65 59.29 3hf9 s ILE 147 Cb -0.41 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 40.65 3hf9 s ILE 147 CO 0.36 0.46 0.01 0.00 -1.91 0.00 0.00 174.94 173.87 3hf9 s ALA 148 N 1.43 3.25 -0.40 1.50 0.00 0.06 -4.98 121.76 122.62 3hf9 s ALA 148 Ca 0.04 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3hf9 s ALA 148 Cb -0.13 -1.06 0.12 0.00 0.00 0.00 0.00 23.12 22.05 3hf9 s ALA 148 CO -0.10 0.53 0.19 0.16 0.00 0.00 0.00 175.76 176.54 3hf9 s ASP 149 N -2.83 3.81 0.65 0.00 -4.77 -1.26 -0.90 116.67 111.37 3hf9 s ASP 149 Ca 0.27 -2.32 -0.11 0.00 -3.30 0.00 0.00 52.55 47.09 3hf9 s ASP 149 Cb -0.10 -1.01 -0.02 0.00 -1.09 0.00 0.00 42.92 40.70 3hf9 s ASP 149 CO 0.19 -0.31 1.04 -1.61 0.70 0.00 0.00 175.17 175.18 3hf9 s GLU 150 N 0.74 3.29 -0.04 2.11 2.02 -1.15 -4.94 118.70 120.72 3hf9 s GLU 150 Ca 0.15 0.86 0.17 0.00 0.02 0.00 0.00 54.97 56.16 3hf9 s GLU 150 Cb -0.22 -2.04 -0.25 0.00 0.10 0.00 0.00 34.13 31.72 3hf9 s GLU 150 CO -0.07 -0.81 0.32 -0.35 0.02 0.00 0.00 175.26 174.37 3hf9 n PRO 151 N -2.89 0.65 -0.02 0.39 -0.05 -1.26 -3.62 135.00 128.20 3hf9 n PRO 151 Ca 0.07 -0.13 -0.06 0.00 -0.05 0.00 0.00 63.50 63.33 3hf9 n PRO 151 Cb 0.54 -1.40 -0.02 0.00 -0.05 0.00 0.00 33.50 32.57 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 -2.16 0.00 -3.93 0.54 8.25 -1.26 -4.88 115.22 111.78 3hf9 n HIS 152 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 3hf9 n HIS 152 Cb 0.53 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.15 0.32 -0.01 4.41 -0.12 -1.26 -1.97 117.98 117.20 3hf9 s PHE 153 Ca -0.09 -0.68 0.00 0.00 -0.05 0.00 0.00 56.93 56.12 3hf9 s PHE 153 Cb 0.03 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3hf9 s PHE 153 CO 0.11 -0.77 -0.01 0.08 -0.05 0.00 0.00 175.22 174.58 3hf9 s VAL 154 N -3.96 0.13 -0.04 -2.49 1.01 0.69 -4.81 120.40 110.93 3hf9 s VAL 154 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3hf9 s VAL 154 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 3hf9 s VAL 154 CO 0.00 0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.33 3hf9 s VAL 155 N 0.27 1.29 0.01 2.92 1.01 -1.26 -1.31 120.40 123.34 3hf9 s VAL 155 Ca -0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3hf9 s VAL 155 Cb -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3hf9 s VAL 155 CO -0.01 0.38 -0.04 -0.04 0.00 0.00 0.00 175.10 175.39 3hf9 s MET 156 N 0.10 0.35 0.13 2.72 -1.94 -0.37 -4.99 119.30 115.29 3hf9 s MET 156 Ca -0.04 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 3hf9 s MET 156 Cb -0.11 -0.21 0.00 0.00 2.01 0.00 0.00 34.83 36.51 3hf9 s MET 156 CO 0.02 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 3hf9 n GLY 157 N 2.38 -2.80 7.00 -0.03 0.00 -1.26 -0.70 105.19 109.77 3hf9 n GLY 157 Ca -0.17 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.44 1.13 3.45 -0.02 0.00 -0.61 -4.27 105.19 102.43 3hf9 n GLY 158 Ca -0.02 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 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 4.89 0.07 2.61 -4.23 -1.26 -4.51 115.64 113.21 3hf9 s THR 159 Ca 0.00 -0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 59.94 3hf9 s THR 159 Cb 0.00 -4.28 -0.29 0.00 1.34 0.00 0.00 72.50 69.28 3hf9 s THR 159 CO 0.00 -0.77 1.12 0.71 -0.54 0.00 0.00 174.62 175.15 3hf9 h THR 160 N 5.85 1.38 -0.34 3.99 1.35 -1.95 -3.38 112.91 119.82 3hf9 h THR 160 Ca -0.27 -2.73 0.07 0.00 -0.55 0.00 0.00 66.41 62.92 3hf9 h THR 160 Cb 1.10 2.82 -0.06 0.00 -1.73 0.00 0.00 68.15 70.28 3hf9 h THR 160 CO 0.95 0.81 -0.09 -0.33 -0.25 0.00 0.00 175.52 176.61 3hf9 h GLU 161 N 0.17 -0.00 -0.55 4.72 3.07 -1.96 0.20 114.58 120.22 3hf9 h GLU 161 Ca -0.17 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.83 3hf9 h GLU 161 Cb 1.95 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.83 3hf9 h GLU 161 CO 0.22 -0.00 0.39 -1.35 -1.40 0.00 0.00 179.01 176.87 3hf9 h PRO 162 N -0.00 0.14 0.11 2.33 0.11 -1.90 -0.08 132.00 132.72 3hf9 h PRO 162 Ca 0.16 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.94 3hf9 h PRO 162 Cb 0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3hf9 h PRO 162 CO -0.35 0.09 -1.74 0.82 -0.21 0.00 0.00 178.00 176.61 3hf9 h ILE 163 N 0.15 0.79 -0.70 4.15 2.04 -1.38 -2.83 117.51 119.74 3hf9 h ILE 163 Ca 0.26 -2.35 0.03 0.00 1.00 0.00 0.00 64.86 63.80 3hf9 h ILE 163 Cb 0.84 2.54 -0.04 0.00 -0.74 0.00 0.00 36.82 39.42 3hf9 h ILE 163 CO -0.04 0.77 0.44 0.00 0.00 0.00 0.00 178.15 179.32 3hf9 h ALA 164 N -0.03 0.90 -0.24 1.87 0.00 -0.35 -1.57 119.26 119.84 3hf9 h ALA 164 Ca -0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3hf9 h ALA 164 Cb 1.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3hf9 h ALA 164 CO 0.05 0.23 0.00 -0.91 0.00 0.00 0.00 179.25 178.62 3hf9 h ASN 165 N 0.87 0.42 -0.95 0.00 2.35 -1.16 -0.73 115.58 116.39 3hf9 h ASN 165 Ca 0.27 -0.31 0.17 0.00 -0.55 0.00 0.00 56.30 55.88 3hf9 h ASN 165 Cb -0.00 -0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.15 3hf9 h ASN 165 CO -0.10 0.63 0.55 0.00 -1.65 0.00 0.00 177.43 176.86 3hf9 h ALA 166 N 0.81 1.51 -0.01 -0.83 0.00 -1.25 -2.50 119.26 116.99 3hf9 h ALA 166 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 166 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 166 CO 0.01 -0.03 -0.12 -0.07 0.00 0.00 0.00 179.25 179.04 3hf9 h LEU 167 N 0.74 0.12 -0.96 0.00 3.38 -1.19 -2.54 115.31 114.86 3hf9 h LEU 167 Ca 0.53 -0.73 0.28 0.00 0.09 0.00 0.00 57.88 58.05 3hf9 h LEU 167 Cb 0.76 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.30 3hf9 h LEU 167 CO -0.36 0.84 0.09 0.29 0.09 0.00 0.00 178.44 179.38 3hf9 n LYS 168 N -4.62 -0.07 0.05 1.13 5.02 -0.29 -0.06 118.16 119.31 3hf9 n LYS 168 Ca -0.09 1.42 -0.21 0.00 -2.02 0.00 0.00 58.31 57.41 3hf9 n LYS 168 Cb 0.42 -2.29 -0.14 0.00 -0.02 0.00 0.00 35.03 33.00 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 0.32 -0.30 1.97 4.11 -1.62 -3.36 114.58 115.70 3hf9 h GLU 169 Ca 0.61 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3hf9 h GLU 169 Cb 1.33 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3hf9 h GLU 169 CO -0.88 1.22 0.00 -1.13 0.07 0.00 0.00 179.01 178.29 3hf9 n SER 170 N -3.51 1.88 -4.57 3.06 3.41 -0.47 -4.89 113.62 108.52 3hf9 n SER 170 Ca -0.26 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.05 3hf9 n SER 170 Cb 1.06 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.74 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 -1.61 3.19 -0.19 7.33 5.04 0.91 -4.94 117.35 127.09 3hf9 s TYR 171 Ca 0.27 0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 55.20 3hf9 s TYR 171 Cb 0.15 -2.95 -0.01 0.00 0.35 0.00 0.00 41.96 39.50 3hf9 s TYR 171 CO 0.20 -0.52 -0.10 0.00 -1.34 0.00 0.00 175.55 173.80 3hf9 s ALA 172 N 2.47 2.68 0.43 3.97 0.00 -1.26 -5.02 121.76 125.03 3hf9 s ALA 172 Ca 0.21 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 3hf9 s ALA 172 Cb -0.15 -1.47 -0.08 0.00 0.00 0.00 0.00 23.12 21.42 3hf9 s ALA 172 CO 0.13 -0.21 1.15 -1.83 0.00 0.00 0.00 175.76 175.00 3hf9 s GLU 173 N 1.10 3.91 -0.10 0.00 -1.05 -1.26 -3.08 118.70 118.22 3hf9 s GLU 173 Ca 0.01 1.76 0.00 0.00 -0.15 0.00 0.00 54.97 56.58 3hf9 s GLU 173 Cb -0.15 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 31.04 3hf9 s GLU 173 CO -0.02 -0.42 0.00 0.09 0.95 0.00 0.00 175.26 175.86 3hf9 n ASN 174 N -0.25 -3.29 -4.77 0.83 4.13 -1.26 -4.89 115.26 105.75 3hf9 n ASN 174 Ca 0.06 0.02 -0.41 0.00 1.68 0.00 0.00 54.58 55.94 3hf9 n ASN 174 Cb 0.48 -0.88 -0.01 0.00 -1.54 0.00 0.00 39.78 37.83 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hf9 s ALA 175 N -1.98 3.53 1.15 5.41 0.00 -1.18 -3.89 121.76 124.80 3hf9 s ALA 175 Ca 0.00 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 3hf9 s ALA 175 Cb 0.00 -3.55 0.18 0.00 0.00 0.00 0.00 23.12 19.75 3hf9 s ALA 175 CO 0.00 -0.87 0.35 -1.13 0.00 0.00 0.00 175.76 174.12 3hf9 n SER 176 N 0.59 -2.20 0.31 0.00 3.41 -1.26 -3.01 113.62 111.47 3hf9 n SER 176 Ca 0.01 -0.15 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 3hf9 n SER 176 Cb 0.41 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.21 3hf9 n SER 176 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hf9 h LEU 177 N -2.31 -0.72 -2.09 1.04 5.85 -1.99 -1.88 115.31 113.20 3hf9 h LEU 177 Ca -0.57 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.22 3hf9 h LEU 177 Cb 1.35 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3hf9 h LEU 177 CO 0.42 -0.49 0.09 0.00 -0.34 0.00 0.00 178.44 178.13 3hf9 h THR 178 N -0.79 0.83 0.48 1.05 1.03 -1.90 -0.04 112.91 113.56 3hf9 h THR 178 Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.31 3hf9 h THR 178 Cb 0.62 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 3hf9 h THR 178 CO 0.10 0.00 -0.23 0.44 -0.01 0.00 0.00 175.52 175.82 3hf9 h ASP 179 N 0.00 -0.54 -0.60 0.00 3.45 -1.84 -3.00 116.42 113.89 3hf9 h ASP 179 Ca 0.06 0.01 0.16 0.00 0.43 0.00 0.00 57.03 57.68 3hf9 h ASP 179 Cb 0.25 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.13 3hf9 h ASP 179 CO -0.00 -0.12 0.42 0.00 -1.57 0.00 0.00 179.24 177.97 3hf9 h ALA 180 N -1.14 2.42 -0.46 3.45 0.00 -0.89 -0.15 119.26 122.50 3hf9 h ALA 180 Ca -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hf9 h ALA 180 Cb 0.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hf9 h ALA 180 CO 0.11 -0.59 0.10 1.25 0.00 0.00 0.00 179.25 180.11 3hf9 h LEU 181 N 0.10 0.71 -0.14 0.00 5.85 -1.06 -2.01 115.31 118.76 3hf9 h LEU 181 Ca 0.29 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hf9 h LEU 181 Cb 1.00 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3hf9 h LEU 181 CO -0.03 0.77 -0.04 0.03 -0.34 0.00 0.00 178.44 178.84 3hf9 h ARG 182 N 0.62 0.28 -0.99 1.25 3.08 -0.90 -1.91 114.38 115.81 3hf9 h ARG 182 Ca 0.14 -0.11 0.17 0.00 0.07 0.00 0.00 59.98 60.25 3hf9 h ARG 182 Cb 0.35 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 3hf9 h ARG 182 CO 0.00 0.57 0.61 0.82 -1.07 0.00 0.00 179.97 180.91 3hf9 h ILE 183 N -0.03 0.77 0.26 2.04 2.04 -1.36 0.12 117.51 121.35 3hf9 h ILE 183 Ca 0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3hf9 h ILE 183 Cb 0.47 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hf9 h ILE 183 CO 0.01 0.14 -0.13 0.00 0.00 0.00 0.00 178.15 178.18 3hf9 h ALA 184 N 1.61 -0.35 -0.45 1.87 0.00 -1.25 -0.83 119.26 119.85 3hf9 h ALA 184 Ca 0.53 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3hf9 h ALA 184 Cb 0.80 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hf9 h ALA 184 CO -0.31 -0.44 0.30 0.28 0.00 0.00 0.00 179.25 179.08 3hf9 h VAL 185 N -0.86 1.03 0.77 0.00 2.07 -1.02 0.37 116.25 118.61 3hf9 h VAL 185 Ca -0.04 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3hf9 h VAL 185 Cb 0.51 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hf9 h VAL 185 CO 0.06 0.09 -0.37 0.00 0.02 0.00 0.00 177.57 177.36 3hf9 h ALA 186 N 1.74 -1.21 -0.54 1.67 0.00 -0.78 -2.67 119.26 117.47 3hf9 h ALA 186 Ca 0.19 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 186 Cb 0.15 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hf9 h ALA 186 CO -0.05 -1.14 0.42 0.00 0.00 0.00 0.00 179.25 178.49 3hf9 h ALA 187 N -1.47 2.42 0.00 0.00 0.00 -0.35 0.25 119.26 120.11 3hf9 h ALA 187 Ca -0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hf9 h ALA 187 Cb 0.80 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hf9 h ALA 187 CO 0.17 -0.70 -0.56 -0.07 0.00 0.00 0.00 179.25 178.09 3hf9 h LEU 188 N 0.00 0.00 -0.71 0.00 3.38 -0.88 -3.29 115.31 113.81 3hf9 h LEU 188 Ca 0.26 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.33 3hf9 h LEU 188 Cb 1.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 3hf9 h LEU 188 CO -0.00 0.56 0.32 0.03 0.09 0.00 0.00 178.44 179.44 3hf9 h ARG 189 N 0.00 0.52 0.00 1.13 3.08 -0.13 -3.49 114.38 115.48 3hf9 h ARG 189 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hf9 h ARG 189 Cb 1.01 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3hf9 h ARG 189 CO 0.07 0.34 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 3hf9 n ALA 190 N -2.44 0.32 0.00 0.04 0.00 -1.24 -5.13 120.51 112.05 3hf9 n ALA 190 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hf9 n ALA 190 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.16 0.00 -0.03 0.00 0.24 -1.26 -4.65 118.33 112.47 3hf9 n VAL 205 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 3hf9 n VAL 205 Cb 0.00 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.47 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 -0.48 2.21 -0.95 2.33 0.00 -1.26 -4.36 120.51 118.01 3hf9 n ALA 206 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 53.44 52.51 3hf9 n ALA 206 Cb 0.00 -0.32 0.36 0.00 0.00 0.00 0.00 19.45 19.49 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 0.32 5.21 -4.25 0.00 7.64 -1.26 -4.86 113.62 116.43 3hf9 n SER 207 Ca 0.08 -2.99 -0.28 0.00 1.01 0.00 0.00 58.87 56.69 3hf9 n SER 207 Cb 0.35 -0.66 -0.15 0.00 -1.01 0.00 0.00 64.21 62.73 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 -2.82 2.07 -0.22 -3.43 1.43 -1.24 -0.74 118.68 113.73 3hf9 s LEU 208 Ca 0.52 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3hf9 s LEU 208 Cb 0.40 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 3hf9 s LEU 208 CO 0.14 0.25 -0.01 -0.70 0.23 0.00 0.00 176.35 176.26 3hf9 s GLU 209 N -0.65 3.48 0.03 1.70 2.12 -0.51 -4.83 118.70 120.03 3hf9 s GLU 209 Ca 0.08 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.89 3hf9 s GLU 209 Cb -0.09 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 3hf9 s GLU 209 CO -0.00 -0.15 -0.15 0.08 -0.54 0.00 0.00 175.26 174.50 3hf9 s VAL 210 N 1.40 1.17 0.12 3.70 1.01 -1.26 -1.85 120.40 124.69 3hf9 s VAL 210 Ca 0.05 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3hf9 s VAL 210 Cb -0.14 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.27 3hf9 s VAL 210 CO -0.01 0.10 0.64 0.00 0.00 0.00 0.00 175.10 175.84 3hf9 s ALA 211 N -0.72 -1.64 0.05 5.51 0.00 -0.94 -1.74 121.76 122.28 3hf9 s ALA 211 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3hf9 s ALA 211 Cb -0.07 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3hf9 s ALA 211 CO 0.01 -0.72 -0.05 0.14 0.00 0.00 0.00 175.76 175.14 3hf9 s VAL 212 N -3.41 0.33 -0.49 0.00 -7.23 0.10 -0.80 120.40 108.91 3hf9 s VAL 212 Ca 0.00 -1.37 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 3hf9 s VAL 212 Cb -0.01 -0.93 0.09 0.00 0.56 0.00 0.00 36.38 36.10 3hf9 s VAL 212 CO -0.10 -0.68 0.41 -0.22 -0.31 0.00 0.00 175.10 174.20 3hf9 s LEU 213 N -2.16 5.74 -0.17 1.32 2.96 0.59 -1.31 118.68 125.65 3hf9 s LEU 213 Ca -0.04 -1.52 -0.25 0.00 -0.22 0.00 0.00 54.13 52.10 3hf9 s LEU 213 Cb -0.02 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3hf9 s LEU 213 CO -0.04 -0.70 0.83 -0.62 -1.32 0.00 0.00 176.35 174.50 3hf9 s ASP 214 N 2.84 6.95 0.00 3.68 2.15 0.16 -3.05 116.67 129.41 3hf9 s ASP 214 Ca 0.04 1.16 0.22 0.00 0.43 0.00 0.00 52.55 54.40 3hf9 s ASP 214 Cb -0.26 -2.45 0.82 0.00 -0.30 0.00 0.00 42.92 40.73 3hf9 s ASP 214 CO 0.05 -0.41 1.59 0.00 -0.17 0.00 0.00 175.17 176.23 3hf9 n ALA 215 N 5.28 2.53 0.63 3.66 0.00 -1.20 -3.55 120.51 127.86 3hf9 n ALA 215 Ca 0.04 -0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.07 3hf9 n ALA 215 Cb 0.49 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 0.24 2.02 -4.78 0.00 5.15 -1.26 -4.64 115.26 112.00 3hf9 n ASN 216 Ca 0.17 -1.51 -0.37 0.00 -0.60 0.00 0.00 54.58 52.26 3hf9 n ASN 216 Cb 0.32 0.14 -0.06 0.00 -0.53 0.00 0.00 39.78 39.65 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 -1.40 4.54 0.14 1.20 1.81 -1.23 -5.02 118.95 118.99 3hf9 s ARG 217 Ca 0.16 1.24 -0.16 0.00 -1.72 0.00 0.00 55.73 55.25 3hf9 s ARG 217 Cb 0.12 -2.91 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 3hf9 s ARG 217 CO 0.24 0.35 1.70 -1.35 -0.68 0.00 0.00 175.30 175.56 3hf9 h PRO 218 N 3.42 0.61 0.00 3.54 0.11 -1.91 -3.41 132.00 134.35 3hf9 h PRO 218 Ca -0.47 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3hf9 h PRO 218 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hf9 h PRO 218 CO 0.65 0.55 0.00 -2.13 -0.21 0.00 0.00 178.00 176.86 3hf9 n ARG 219 N -4.65 0.00 -2.85 1.05 0.63 -1.26 -4.50 116.66 105.07 3hf9 n ARG 219 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3hf9 n ARG 219 Cb 0.13 -0.19 -0.04 0.00 0.45 0.00 0.00 32.46 32.81 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 -1.69 4.01 0.08 -0.14 0.52 -1.26 -4.31 118.95 116.16 3hf9 s ARG 220 Ca 0.00 0.75 0.12 0.00 -0.52 0.00 0.00 55.73 56.08 3hf9 s ARG 220 Cb 0.00 -3.72 -0.16 0.00 0.52 0.00 0.00 34.95 31.58 3hf9 s ARG 220 CO 0.00 -0.73 1.02 0.00 0.02 0.00 0.00 175.30 175.61 3hf9 h ALA 221 N 8.06 0.60 -2.80 2.13 0.00 -0.28 -3.45 119.26 123.52 3hf9 h ALA 221 Ca -0.23 -1.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.14 3hf9 h ALA 221 Cb 1.09 0.15 0.07 0.00 0.00 0.00 0.00 17.79 19.10 3hf9 h ALA 221 CO 0.92 1.21 0.77 0.12 0.00 0.00 0.00 179.25 182.27 3hf9 s PHE 222 N -2.75 2.91 -0.19 0.00 5.36 -1.26 0.40 117.98 122.45 3hf9 s PHE 222 Ca -0.01 1.05 -0.08 0.00 -0.96 0.00 0.00 56.93 56.93 3hf9 s PHE 222 Cb 0.09 -3.88 0.08 0.00 -0.34 0.00 0.00 43.02 38.97 3hf9 s PHE 222 CO 0.81 -2.78 0.42 0.50 -1.46 0.00 0.00 175.22 172.71 3hf9 s ARG 223 N -0.83 0.36 -0.01 10.12 3.52 -0.43 -4.89 118.95 126.79 3hf9 s ARG 223 Ca 0.58 0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 56.93 3hf9 s ARG 223 Cb -0.43 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.11 3hf9 s ARG 223 CO 0.48 -0.22 0.58 1.03 -0.81 0.00 0.00 175.30 176.36 3hf9 s ARG 224 N 2.17 4.29 -0.25 5.12 0.52 -1.26 -0.72 118.95 128.82 3hf9 s ARG 224 Ca -0.05 0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 55.75 3hf9 s ARG 224 Cb -0.11 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 3hf9 s ARG 224 CO -0.13 0.38 0.20 0.42 0.02 0.00 0.00 175.30 176.19 3hf9 s ILE 225 N -0.20 5.32 0.05 1.52 1.01 -0.71 -4.96 121.20 123.23 3hf9 s ILE 225 Ca 0.30 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 3hf9 s ILE 225 Cb -0.18 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3hf9 s ILE 225 CO 0.17 0.29 -0.00 -0.89 0.00 0.00 0.00 174.94 174.51 3hf9 s THR 226 N 1.40 0.20 0.00 2.92 2.01 -1.26 -4.25 115.64 116.65 3hf9 s THR 226 Ca 0.08 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.45 3hf9 s THR 226 Cb -0.15 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.01 3hf9 s THR 226 CO 0.07 -0.90 0.00 0.61 -0.69 0.00 0.00 174.62 173.71 3hf9 n GLY 227 N 0.26 3.47 0.35 4.40 0.00 -1.26 -3.00 105.19 109.41 3hf9 n GLY 227 Ca -0.15 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 228 N 0.00 0.83 -0.35 1.61 4.64 -1.99 -1.38 113.55 116.90 3hf9 h SER 228 Ca 0.00 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3hf9 h SER 228 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3hf9 h SER 228 CO 0.00 0.60 0.11 0.00 -0.87 0.00 0.00 176.83 176.66 3hf9 h ALA 229 N 1.55 0.46 -0.30 5.18 0.00 -1.96 -2.90 119.26 121.28 3hf9 h ALA 229 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 229 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hf9 h ALA 229 CO -0.06 0.11 -0.06 1.25 0.00 0.00 0.00 179.25 180.49 3hf9 h LEU 230 N 0.42 0.46 -0.67 0.00 5.85 -1.47 -3.00 115.31 116.90 3hf9 h LEU 230 Ca 0.11 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hf9 h LEU 230 Cb 0.26 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3hf9 h LEU 230 CO -0.00 0.57 0.29 -0.61 -0.34 0.00 0.00 178.44 178.35 3hf9 h GLN 231 N 0.46 0.98 -0.36 1.25 5.75 -1.08 -0.51 115.11 121.60 3hf9 h GLN 231 Ca 0.09 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3hf9 h GLN 231 Cb 0.39 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3hf9 h GLN 231 CO 0.02 0.80 0.20 0.00 -2.65 0.00 0.00 178.83 177.20 3hf9 h ALA 232 N 1.13 0.46 -0.64 3.38 0.00 -1.38 -2.50 119.26 119.71 3hf9 h ALA 232 Ca 0.23 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 232 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hf9 h ALA 232 CO -0.02 -0.02 0.06 -0.07 0.00 0.00 0.00 179.25 179.20 3hf9 h LEU 233 N 0.46 1.04 0.00 0.00 3.38 -1.53 -3.51 115.31 115.15 3hf9 h LEU 233 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hf9 h LEU 233 Cb 0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hf9 h LEU 233 CO -0.02 1.06 0.00 -0.11 0.09 0.00 0.00 178.44 179.46