#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 h GLN 11 N 0.00 0.00 -0.24 5.31 3.07 -2.05 -0.87 115.11 120.33 3hf9 h GLN 11 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 3hf9 h GLN 11 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3hf9 h GLN 11 CO 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 178.83 178.58 3hf9 h ALA 12 N 1.73 0.96 0.00 0.06 0.00 -2.05 -1.60 119.26 118.36 3hf9 h ALA 12 Ca 0.22 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3hf9 h ALA 12 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hf9 h ALA 12 CO -0.00 0.61 -0.31 1.98 0.00 0.00 0.00 179.25 181.52 3hf9 h MET 13 N 0.44 0.00 0.03 0.00 4.05 -1.60 -2.11 114.93 115.75 3hf9 h MET 13 Ca 0.05 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.19 3hf9 h MET 13 Cb 0.80 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.57 3hf9 h MET 13 CO 0.07 0.31 -1.55 0.00 0.23 0.00 0.00 176.91 175.97 3hf9 h ARG 14 N 0.00 0.07 0.31 0.39 3.08 -1.42 -2.75 114.38 114.07 3hf9 h ARG 14 Ca -0.00 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3hf9 h ARG 14 Cb 0.77 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3hf9 h ARG 14 CO 0.04 0.79 -0.22 1.49 -1.07 0.00 0.00 179.97 181.00 3hf9 h GLU 15 N 0.02 -0.51 -0.41 0.04 4.81 -1.16 -0.93 114.58 116.45 3hf9 h GLU 15 Ca -0.23 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 3hf9 h GLU 15 Cb 1.96 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 31.42 3hf9 h GLU 15 CO 0.11 -0.34 0.17 0.00 -0.73 0.00 0.00 179.01 178.22 3hf9 h ARG 16 N -0.53 0.34 -0.33 1.92 3.08 -1.49 -0.65 114.38 116.73 3hf9 h ARG 16 Ca -0.03 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.10 3hf9 h ARG 16 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3hf9 h ARG 16 CO 0.01 0.22 0.28 1.03 -1.07 0.00 0.00 179.97 180.45 3hf9 h SER 17 N 0.35 0.00 0.00 7.04 0.87 -1.25 -1.68 113.55 118.88 3hf9 h SER 17 Ca 0.18 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 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 -0.16 0.00 -0.01 -0.33 -0.53 0.00 0.00 176.83 175.79 3hf9 h GLU 18 N 0.00 0.00 -0.75 2.24 4.39 0.27 -2.51 114.58 118.23 3hf9 h GLU 18 Ca 0.16 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.01 3hf9 h GLU 18 Cb 0.72 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.23 3hf9 h GLU 18 CO -0.00 0.66 -0.14 1.25 -1.16 0.00 0.00 179.01 179.62 3hf9 h LEU 19 N -1.00 -0.61 0.67 1.33 5.85 -0.94 0.21 115.31 120.82 3hf9 h LEU 19 Ca -0.00 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3hf9 h LEU 19 Cb 0.67 0.44 0.01 0.00 0.37 0.00 0.00 40.66 42.14 3hf9 h LEU 19 CO -0.00 -0.23 -0.32 0.00 -0.34 0.00 0.00 178.44 177.54 3hf9 h ALA 20 N 1.74 -0.91 -0.09 1.25 0.00 -1.44 -2.13 119.26 117.68 3hf9 h ALA 20 Ca 0.37 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 20 Cb 0.59 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hf9 h ALA 20 CO -0.74 -0.94 0.07 -0.09 0.00 0.00 0.00 179.25 177.55 3hf9 h ARG 21 N -1.03 0.00 0.23 0.00 2.43 -0.89 -1.68 114.38 113.44 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 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3hf9 h ARG 21 CO 0.15 0.00 -0.11 0.87 -1.51 0.00 0.00 179.97 179.37 3hf9 h LYS 22 N 0.00 -0.29 -0.88 0.20 1.57 -0.54 -2.49 116.57 114.14 3hf9 h LYS 22 Ca 0.04 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.02 3hf9 h LYS 22 Cb 0.19 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3hf9 h LYS 22 CO -0.00 0.08 0.58 0.78 -0.57 0.00 0.00 179.45 180.31 3hf9 h GLY 23 N -0.89 0.97 1.30 3.86 0.00 -0.69 -0.37 103.07 107.25 3hf9 h GLY 23 Ca -0.03 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 3hf9 h GLY 23 CO 0.05 0.02 -0.65 -2.22 0.00 0.00 0.00 176.54 173.75 3hf9 h ILE 24 N 0.49 1.30 0.00 2.60 2.04 -1.38 -2.87 117.51 119.69 3hf9 h ILE 24 Ca 0.45 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.43 3hf9 h ILE 24 Cb 1.00 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 3hf9 h ILE 24 CO -0.18 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.56 3hf9 n ALA 25 N -2.56 1.86 0.86 1.87 0.00 -0.19 -1.53 120.51 120.82 3hf9 n ALA 25 Ca -0.05 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.41 3hf9 n ALA 25 Cb 0.67 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.29 1.21 -2.77 0.00 1.74 -0.97 -4.06 116.66 110.52 3hf9 n ARG 26 Ca 0.07 -0.44 -0.21 0.00 -0.77 0.00 0.00 57.85 56.51 3hf9 n ARG 26 Cb 0.12 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.46 3.92 0.55 7.54 0.00 -1.00 -4.90 121.76 125.40 3hf9 s ALA 27 Ca 0.11 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 3hf9 s ALA 27 Cb 0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 3hf9 s ALA 27 CO 0.62 -0.60 1.24 0.15 0.00 0.00 0.00 175.76 177.17 3hf9 s LYS 28 N -4.67 3.21 0.40 0.00 -0.14 -1.26 -1.65 119.74 115.64 3hf9 s LYS 28 Ca 0.55 1.93 -0.13 0.00 -1.36 0.00 0.00 55.97 56.96 3hf9 s LYS 28 Cb -0.10 -2.14 -0.07 0.00 -1.68 0.00 0.00 37.83 33.84 3hf9 s LYS 28 CO 0.38 -1.04 0.80 -1.12 -0.76 0.00 0.00 175.35 173.61 3hf9 s SER 29 N -1.35 6.61 0.01 2.83 0.01 -1.26 -4.32 113.70 116.23 3hf9 s SER 29 Ca 0.72 1.26 -0.00 0.00 1.31 0.00 0.00 55.95 59.24 3hf9 s SER 29 Cb -0.33 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3hf9 s SER 29 CO 0.38 -0.38 -0.01 -0.69 0.41 0.00 0.00 173.24 172.95 3hf9 s VAL 30 N -2.31 0.04 -0.01 3.43 1.01 -0.05 -2.31 120.40 120.20 3hf9 s VAL 30 Ca 0.53 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3hf9 s VAL 30 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.16 3hf9 s VAL 30 CO 0.27 -0.20 -0.06 -0.69 0.00 0.00 0.00 175.10 174.42 3hf9 s VAL 31 N -0.58 0.52 -0.08 2.92 1.01 0.16 -1.16 120.40 123.18 3hf9 s VAL 31 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3hf9 s VAL 31 Cb -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.91 3hf9 s VAL 31 CO -0.00 0.16 -0.07 0.00 0.00 0.00 0.00 175.10 175.19 3hf9 s ALA 32 N 0.04 1.12 0.06 5.51 0.00 -0.45 -0.72 121.76 127.32 3hf9 s ALA 32 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3hf9 s ALA 32 Cb -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3hf9 s ALA 32 CO -0.00 -0.23 -0.06 -0.48 0.00 0.00 0.00 175.76 174.99 3hf9 s LEU 33 N 1.37 2.38 -0.18 0.00 2.34 -0.25 0.09 118.68 124.42 3hf9 s LEU 33 Ca -0.02 -0.77 -0.09 0.00 0.06 0.00 0.00 54.13 53.31 3hf9 s LEU 33 Cb -0.14 -0.05 -0.05 0.00 -0.56 0.00 0.00 46.19 45.40 3hf9 s LEU 33 CO -0.04 -0.36 0.11 0.00 -1.06 0.00 0.00 176.35 175.00 3hf9 s ALA 34 N -2.55 3.64 0.26 1.48 0.00 -0.80 0.64 121.76 124.44 3hf9 s ALA 34 Ca -0.00 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3hf9 s ALA 34 Cb -0.02 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 3hf9 s ALA 34 CO -0.03 0.27 0.02 1.52 0.00 0.00 0.00 175.76 177.54 3hf9 s TYR 35 N 0.05 1.70 0.29 0.00 -0.85 -0.92 -4.34 117.35 113.28 3hf9 s TYR 35 Ca 0.08 -0.94 -0.01 0.00 -0.52 0.00 0.00 57.07 55.68 3hf9 s TYR 35 Cb -0.12 -1.02 0.45 0.00 0.38 0.00 0.00 41.96 41.65 3hf9 s TYR 35 CO -0.00 -0.03 1.92 0.00 -1.52 0.00 0.00 175.55 175.92 3hf9 h ALA 36 N 2.35 1.44 -0.80 9.51 0.00 -1.72 -0.51 119.26 129.52 3hf9 h ALA 36 Ca -0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3hf9 h ALA 36 Cb 1.23 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3hf9 h ALA 36 CO 0.66 0.46 0.36 0.78 0.00 0.00 0.00 179.25 181.51 3hf9 h GLY 37 N 1.13 1.25 0.00 0.00 0.00 -1.92 -3.48 103.07 100.05 3hf9 h GLY 37 Ca 0.38 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3hf9 h GLY 37 CO -0.12 0.61 0.00 0.61 0.00 0.00 0.00 176.54 177.63 3hf9 n GLY 38 N -0.96 -1.36 3.77 4.60 0.00 -0.20 -2.96 105.19 108.08 3hf9 n GLY 38 Ca 0.07 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 3hf9 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hf9 s VAL 39 N -1.84 2.61 -0.08 1.61 1.01 -1.18 -2.17 120.40 120.36 3hf9 s VAL 39 Ca 0.00 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.61 3hf9 s VAL 39 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3hf9 s VAL 39 CO 0.00 0.12 -0.23 -0.22 0.00 0.00 0.00 175.10 174.77 3hf9 s LEU 40 N -2.09 2.15 -0.19 3.92 2.96 0.21 -0.44 118.68 125.21 3hf9 s LEU 40 Ca 0.53 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3hf9 s LEU 40 Cb -0.40 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3hf9 s LEU 40 CO 0.52 0.20 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.36 3hf9 s PHE 41 N 0.08 2.99 -0.08 5.38 0.08 0.38 -1.09 117.98 125.72 3hf9 s PHE 41 Ca -0.11 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.38 3hf9 s PHE 41 Cb -0.16 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 3hf9 s PHE 41 CO 0.06 -0.26 -0.01 0.08 -0.10 0.00 0.00 175.22 174.99 3hf9 s VAL 42 N 0.89 0.46 0.01 -0.44 1.01 0.10 -1.92 120.40 120.51 3hf9 s VAL 42 Ca -0.00 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3hf9 s VAL 42 Cb -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3hf9 s VAL 42 CO 0.01 0.27 -0.12 0.00 0.00 0.00 0.00 175.10 175.27 3hf9 s ALA 43 N 1.93 0.99 -0.06 5.51 0.00 -0.72 -0.67 121.76 128.74 3hf9 s ALA 43 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3hf9 s ALA 43 Cb -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3hf9 s ALA 43 CO -0.06 0.22 1.21 -1.83 0.00 0.00 0.00 175.76 175.30 3hf9 s GLU 44 N -0.57 4.34 -0.26 0.00 -1.05 -0.98 -1.33 118.70 118.86 3hf9 s GLU 44 Ca 0.03 1.68 -0.02 0.00 -0.15 0.00 0.00 54.97 56.51 3hf9 s GLU 44 Cb -0.06 -3.57 0.15 0.00 -0.44 0.00 0.00 34.13 30.21 3hf9 s GLU 44 CO 0.00 -0.46 0.43 1.21 0.95 0.00 0.00 175.26 177.38 3hf9 s ASN 45 N 1.51 -0.10 0.01 0.83 3.84 -0.07 -4.64 114.94 116.33 3hf9 s ASN 45 Ca 0.56 0.31 -0.25 0.00 0.21 0.00 0.00 52.86 53.69 3hf9 s ASN 45 Cb -0.25 1.34 -0.19 0.00 -0.55 0.00 0.00 41.25 41.61 3hf9 s ASN 45 CO 0.22 -0.30 1.40 -0.65 -2.79 0.00 0.00 177.10 174.98 3hf9 h PRO 46 N 8.14 -0.03 -7.00 0.43 0.11 -1.89 -3.30 132.00 128.46 3hf9 h PRO 46 Ca -0.19 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.36 3hf9 h PRO 46 Cb 1.15 0.01 0.16 0.00 0.11 0.00 0.00 31.00 32.43 3hf9 h PRO 46 CO 0.27 0.30 0.36 0.45 -0.21 0.00 0.00 178.00 179.17 3hf9 n SER 47 N -4.95 1.54 -0.27 -2.05 2.88 -1.26 -4.85 113.62 104.67 3hf9 n SER 47 Ca -0.08 0.82 0.07 0.00 -1.33 0.00 0.00 58.87 58.35 3hf9 n SER 47 Cb 0.19 -1.49 -0.01 0.00 -0.75 0.00 0.00 64.21 62.14 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 -1.54 1.92 -0.00 -1.46 1.85 -1.26 -4.60 116.66 111.57 3hf9 n ARG 48 Ca 0.15 -0.63 0.01 0.00 -1.00 0.00 0.00 57.85 56.38 3hf9 n ARG 48 Cb 0.48 -1.20 -0.02 0.00 -1.05 0.00 0.00 32.46 30.66 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 -0.35 4.35 -4.64 2.89 3.41 -1.26 -5.01 113.62 113.01 3hf9 n SER 49 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.29 3hf9 n SER 49 Cb 0.28 0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 65.13 3hf9 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 50 N -3.44 4.09 -0.04 1.04 1.43 -1.26 -5.08 118.68 115.42 3hf9 s LEU 50 Ca -0.01 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 3hf9 s LEU 50 Cb 0.02 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3hf9 s LEU 50 CO 0.12 0.03 -0.24 -1.10 0.23 0.00 0.00 176.35 175.38 3hf9 s GLN 51 N 1.26 2.31 -0.00 1.70 -0.21 -1.26 -4.81 119.66 118.64 3hf9 s GLN 51 Ca 0.08 -0.90 0.14 0.00 0.02 0.00 0.00 55.36 54.70 3hf9 s GLN 51 Cb -0.14 -2.12 -0.16 0.00 1.00 0.00 0.00 33.01 31.59 3hf9 s GLN 51 CO 0.06 0.50 0.56 1.63 -2.12 0.00 0.00 175.29 175.92 3hf9 n LYS 52 N 2.61 2.12 -4.98 2.91 5.02 -1.26 -4.94 118.16 119.63 3hf9 n LYS 52 Ca -0.17 -0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 55.83 3hf9 n LYS 52 Cb 0.51 -1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.41 1.75 0.13 -0.18 1.01 -1.26 -1.23 121.20 119.02 3hf9 s ILE 53 Ca 0.04 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.44 3hf9 s ILE 53 Cb 0.10 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 41.16 3hf9 s ILE 53 CO 0.58 0.42 0.55 -0.55 0.00 0.00 0.00 174.94 175.93 3hf9 s SER 54 N -0.71 -0.48 0.46 3.58 0.15 0.79 -5.00 113.70 112.50 3hf9 s SER 54 Ca 0.09 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.49 3hf9 s SER 54 Cb -0.09 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 3hf9 s SER 54 CO -0.00 -0.91 1.01 -0.70 1.20 0.00 0.00 173.24 173.84 3hf9 s GLU 55 N -3.57 3.97 0.05 5.44 2.12 -1.26 -0.76 118.70 124.68 3hf9 s GLU 55 Ca 0.01 1.27 -0.01 0.00 0.36 0.00 0.00 54.97 56.60 3hf9 s GLU 55 Cb -0.00 -2.14 -0.00 0.00 0.26 0.00 0.00 34.13 32.25 3hf9 s GLU 55 CO -0.11 -0.27 -0.02 1.28 -0.54 0.00 0.00 175.26 175.59 3hf9 n LEU 56 N -0.82 0.78 0.00 2.70 4.77 -0.64 -4.82 117.00 118.97 3hf9 n LEU 56 Ca 0.08 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 3hf9 n LEU 56 Cb 0.53 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3hf9 n LEU 56 CO 0.39 -0.45 0.03 0.00 -1.33 0.00 0.00 177.39 176.03 3hf9 n TYR 57 N -3.38 -0.62 -0.24 -1.77 9.36 -0.81 -4.75 117.16 114.96 3hf9 n TYR 57 Ca -0.02 -0.84 -0.09 0.00 3.32 0.00 0.00 57.90 60.27 3hf9 n TYR 57 Cb 0.21 0.16 -0.07 0.00 -0.63 0.00 0.00 39.34 39.01 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 0.68 -1.50 -0.18 2.98 3.32 -1.93 -2.88 116.42 116.92 3hf9 h ASP 58 Ca -0.09 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hf9 h ASP 58 Cb 0.40 0.65 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3hf9 h ASP 58 CO 0.12 -0.21 0.00 0.54 -1.72 0.00 0.00 179.24 177.97 3hf9 n ARG 59 N -4.63 1.81 -5.04 3.56 5.12 -1.26 -0.98 116.66 115.24 3hf9 n ARG 59 Ca 0.00 -1.77 -0.29 0.00 -1.93 0.00 0.00 57.85 53.85 3hf9 n ARG 59 Cb 0.21 -1.35 -0.17 0.00 -1.16 0.00 0.00 32.46 29.99 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 -1.30 1.78 0.50 1.55 0.11 -1.09 -1.91 120.40 120.05 3hf9 s VAL 60 Ca 0.25 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 3hf9 s VAL 60 Cb 0.16 -1.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 3hf9 s VAL 60 CO 0.22 0.50 0.22 -0.83 -3.33 0.00 0.00 175.10 171.88 3hf9 s GLY 61 N 0.23 2.59 -0.13 6.54 0.00 -0.15 -1.63 107.32 114.77 3hf9 s GLY 61 Ca -0.12 -1.15 -0.08 0.00 0.00 0.00 0.00 44.72 43.37 3hf9 s GLY 61 CO 0.06 -2.02 0.31 -0.12 0.00 0.00 0.00 173.10 171.32 3hf9 s PHE 62 N -2.77 -0.42 -0.00 1.90 2.19 0.06 -1.44 117.98 117.50 3hf9 s PHE 62 Ca 0.26 0.95 0.01 0.00 0.33 0.00 0.00 56.93 58.48 3hf9 s PHE 62 Cb 0.00 0.13 -0.00 0.00 -1.31 0.00 0.00 43.02 41.84 3hf9 s PHE 62 CO 0.15 -0.25 -0.03 0.00 1.83 0.00 0.00 175.22 176.93 3hf9 s ALA 63 N 1.06 0.21 0.07 11.12 0.00 -0.17 -0.15 121.76 133.90 3hf9 s ALA 63 Ca -0.07 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3hf9 s ALA 63 Cb -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3hf9 s ALA 63 CO -0.08 0.05 -0.06 0.00 0.00 0.00 0.00 175.76 175.67 3hf9 s ALA 64 N -0.08 0.71 0.10 0.00 0.00 -0.36 0.10 121.76 122.23 3hf9 s ALA 64 Ca 0.01 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.92 3hf9 s ALA 64 Cb -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3hf9 s ALA 64 CO -0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 175.76 175.41 3hf9 s ALA 65 N -2.91 1.45 0.00 0.00 0.00 -0.44 -4.81 121.76 115.05 3hf9 s ALA 65 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3hf9 s ALA 65 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3hf9 s ALA 65 CO -0.04 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3hf9 n GLY 66 N 0.87 0.37 3.66 0.00 0.00 -1.26 -1.49 105.19 107.34 3hf9 n GLY 66 Ca -0.18 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.73 4.25 0.04 1.61 2.20 -0.77 -4.89 119.74 121.46 3hf9 s LYS 67 Ca 0.00 1.44 -0.21 0.00 -0.36 0.00 0.00 55.97 56.84 3hf9 s LYS 67 Cb 0.00 -3.67 -0.10 0.00 -1.51 0.00 0.00 37.83 32.55 3hf9 s LYS 67 CO 0.00 -0.65 1.32 0.35 -0.36 0.00 0.00 175.35 176.01 3hf9 h PHE 68 N 7.64 -0.79 -1.63 4.03 3.57 -1.95 -2.05 116.94 125.76 3hf9 h PHE 68 Ca -0.21 0.00 0.47 0.00 3.53 0.00 0.00 57.97 61.76 3hf9 h PHE 68 Cb 1.07 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 40.04 3hf9 h PHE 68 CO 0.76 -0.40 1.23 -2.95 -2.23 0.00 0.00 178.31 174.72 3hf9 h ASN 69 N -0.62 0.00 0.00 0.41 -1.07 -1.99 0.17 115.58 112.48 3hf9 h ASN 69 Ca -0.05 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.26 3hf9 h ASN 69 Cb 0.52 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.76 3hf9 h ASN 69 CO -0.00 0.00 -0.39 -0.33 0.07 0.00 0.00 177.43 176.78 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.85 -3.09 114.58 118.85 3hf9 h GLU 70 Ca 0.77 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 59.05 3hf9 h GLU 70 Cb 3.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.46 3hf9 h GLU 70 CO -0.01 0.77 -0.41 0.27 -1.00 0.00 0.00 179.01 178.63 3hf9 h PHE 71 N -1.00 0.00 0.33 4.33 -5.15 -0.52 -2.56 116.94 112.37 3hf9 h PHE 71 Ca -0.10 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.66 3hf9 h PHE 71 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.07 3hf9 h PHE 71 CO 0.15 0.41 -0.16 0.22 -2.00 0.00 0.00 178.31 176.93 3hf9 h ASP 72 N 0.00 -0.37 -0.91 -0.68 3.58 -0.90 -0.91 116.42 116.23 3hf9 h ASP 72 Ca -0.00 -0.14 0.29 0.00 0.42 0.00 0.00 57.03 57.59 3hf9 h ASP 72 Cb 0.94 0.10 -0.17 0.00 1.72 0.00 0.00 39.33 41.91 3hf9 h ASP 72 CO 0.05 -0.05 0.15 -3.20 -2.88 0.00 0.00 179.24 173.31 3hf9 n ASN 73 N -5.17 0.01 -0.12 2.28 5.15 -1.16 -0.63 115.26 115.62 3hf9 n ASN 73 Ca -0.10 1.54 -0.12 0.00 -0.60 0.00 0.00 54.58 55.31 3hf9 n ASN 73 Cb 0.26 -0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 38.87 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 0.81 -0.78 1.20 3.38 -1.14 -2.20 115.31 116.58 3hf9 h LEU 74 Ca 0.62 -0.41 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3hf9 h LEU 74 Cb 1.39 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 3hf9 h LEU 74 CO -0.82 1.05 0.41 -0.09 0.09 0.00 0.00 178.44 179.08 3hf9 h ARG 75 N 0.57 0.66 0.19 1.13 2.43 0.56 0.65 114.38 120.57 3hf9 h ARG 75 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hf9 h ARG 75 Cb 0.75 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3hf9 h ARG 75 CO 0.06 0.44 -0.09 0.00 -1.51 0.00 0.00 179.97 178.86 3hf9 h ARG 76 N 0.68 -0.24 -0.93 0.20 3.08 -1.07 -1.81 114.38 114.28 3hf9 h ARG 76 Ca 0.39 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.62 3hf9 h ARG 76 Cb 0.41 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 3hf9 h ARG 76 CO -0.28 -0.01 0.60 0.78 -1.07 0.00 0.00 179.97 179.99 3hf9 h GLY 77 N -0.44 1.31 0.75 0.04 0.00 -1.02 0.87 103.07 104.58 3hf9 h GLY 77 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3hf9 h GLY 77 CO 0.04 0.04 -0.01 -1.33 0.00 0.00 0.00 176.54 175.28 3hf9 h GLY 78 N 0.68 0.23 0.81 4.60 0.00 -0.69 -0.64 103.07 108.06 3hf9 h GLY 78 Ca 0.49 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.67 3hf9 h GLY 78 CO -0.25 0.16 0.23 -2.22 0.00 0.00 0.00 176.54 174.47 3hf9 h ILE 79 N -0.08 0.99 -0.21 2.60 2.04 -0.44 0.15 117.51 122.56 3hf9 h ILE 79 Ca 0.03 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.79 3hf9 h ILE 79 Cb 0.40 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3hf9 h ILE 79 CO 0.01 0.08 -0.35 1.56 0.00 0.00 0.00 178.15 179.45 3hf9 h GLN 80 N 0.46 -0.37 0.13 2.37 1.08 -0.75 -0.30 115.11 117.74 3hf9 h GLN 80 Ca 0.18 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3hf9 h GLN 80 Cb 0.07 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3hf9 h GLN 80 CO -0.12 -0.25 -0.09 0.35 -0.95 0.00 0.00 178.83 177.78 3hf9 h PHE 81 N -0.38 -0.24 0.18 2.96 3.57 -0.71 -2.56 116.94 119.77 3hf9 h PHE 81 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hf9 h PHE 81 Cb 0.57 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3hf9 h PHE 81 CO -0.47 -0.14 -0.25 0.00 -2.23 0.00 0.00 178.31 175.22 3hf9 h ALA 82 N 0.64 -0.46 -0.99 2.41 0.00 -0.71 -0.99 119.26 119.15 3hf9 h ALA 82 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hf9 h ALA 82 Cb 0.20 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3hf9 h ALA 82 CO 0.00 -0.80 0.64 -0.44 0.00 0.00 0.00 179.25 178.65 3hf9 h ASP 83 N -0.49 1.02 0.19 0.00 3.32 -1.06 -0.95 116.42 118.44 3hf9 h ASP 83 Ca 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3hf9 h ASP 83 Cb 0.48 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hf9 h ASP 83 CO -0.10 0.64 -0.09 0.74 -1.72 0.00 0.00 179.24 178.71 3hf9 h THR 84 N 1.15 0.83 -0.40 0.35 2.02 -1.01 -1.82 112.91 114.02 3hf9 h THR 84 Ca 0.43 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.64 3hf9 h THR 84 Cb 0.19 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3hf9 h THR 84 CO -0.18 0.01 0.08 0.03 0.37 0.00 0.00 175.52 175.83 3hf9 h ARG 85 N -0.27 0.20 -0.37 6.66 2.47 -0.69 -1.03 114.38 121.36 3hf9 h ARG 85 Ca -0.03 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.74 3hf9 h ARG 85 Cb 0.20 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 3hf9 h ARG 85 CO 0.04 0.13 0.25 0.78 0.56 0.00 0.00 179.97 181.74 3hf9 h GLY 86 N 0.21 0.29 1.07 0.04 0.00 -1.07 0.71 103.07 104.32 3hf9 h GLY 86 Ca 0.19 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 47.19 3hf9 h GLY 86 CO -0.25 0.07 -0.97 -1.82 0.00 0.00 0.00 176.54 173.57 3hf9 h TYR 87 N 0.23 0.90 0.00 5.60 3.20 -0.84 -3.33 116.97 122.73 3hf9 h TYR 87 Ca 0.17 -0.52 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3hf9 h TYR 87 Cb 0.36 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3hf9 h TYR 87 CO -0.00 1.36 -0.11 0.00 -1.64 0.00 0.00 178.16 177.77 3hf9 n ALA 88 N -2.64 2.49 -2.00 1.82 0.00 -0.44 -4.81 120.51 114.93 3hf9 n ALA 88 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3hf9 n ALA 88 Cb 0.85 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.82 0.00 -4.44 0.00 4.01 0.16 -5.07 117.16 110.01 3hf9 n TYR 89 Ca 0.06 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 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 2.59 0.43 7.72 3.84 -1.26 -4.99 116.67 126.00 3hf9 s ASP 90 Ca 0.00 -1.27 0.30 0.00 -0.00 0.00 0.00 52.55 51.58 3hf9 s ASP 90 Cb 0.00 -0.13 1.26 0.00 -1.38 0.00 0.00 42.92 42.67 3hf9 s ASP 90 CO 0.00 -0.46 1.88 0.03 -0.00 0.00 0.00 175.17 176.62 3hf9 h ARG 91 N 2.21 0.00 -0.18 2.11 3.08 -1.90 -3.09 114.38 116.61 3hf9 h ARG 91 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3hf9 h ARG 91 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hf9 h ARG 91 CO 0.69 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.13 3hf9 n ARG 92 N -2.71 1.81 0.18 0.04 1.74 -1.26 -3.48 116.66 112.98 3hf9 n ARG 92 Ca 0.01 -1.22 0.06 0.00 -0.77 0.00 0.00 57.85 55.93 3hf9 n ARG 92 Cb 0.25 -1.41 0.21 0.00 -1.02 0.00 0.00 32.46 30.50 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 2.47 0.00 -3.15 0.55 3.58 -1.91 -3.43 116.42 114.53 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 0.54 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 3hf9 h ASP 93 CO 0.00 0.37 0.70 -0.69 -2.88 0.00 0.00 179.24 176.73 3hf9 s VAL 94 N -3.28 4.73 0.07 2.25 1.01 -1.23 -4.93 120.40 119.01 3hf9 s VAL 94 Ca 0.03 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.00 3hf9 s VAL 94 Cb 0.09 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3hf9 s VAL 94 CO 0.70 -0.12 -0.07 0.42 0.00 0.00 0.00 175.10 176.03 3hf9 s THR 95 N 2.83 0.56 0.13 3.92 -4.23 -1.26 -4.96 115.64 112.63 3hf9 s THR 95 Ca 0.44 -1.49 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 3hf9 s THR 95 Cb -0.16 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 3hf9 s THR 95 CO 0.09 -0.64 1.71 1.23 -0.54 0.00 0.00 174.62 176.47 3hf9 h GLY 96 N 3.76 0.13 -0.69 3.99 0.00 -1.94 -1.86 103.07 106.45 3hf9 h GLY 96 Ca -0.35 0.06 0.16 0.00 0.00 0.00 0.00 47.33 47.20 3hf9 h GLY 96 CO 0.53 -0.07 -0.25 -0.09 0.00 0.00 0.00 176.54 176.66 3hf9 h ARG 97 N -0.00 -0.02 0.15 4.80 1.12 -1.95 -1.18 114.38 117.30 3hf9 h ARG 97 Ca 0.09 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 3hf9 h ARG 97 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 3hf9 h ARG 97 CO -0.19 -0.01 -0.07 0.37 -3.11 0.00 0.00 179.97 176.95 3hf9 h GLN 98 N -0.02 -0.20 -0.71 0.20 4.15 -1.73 -2.47 115.11 114.33 3hf9 h GLN 98 Ca 0.38 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.86 3hf9 h GLN 98 Cb 0.61 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 3hf9 h GLN 98 CO -0.86 0.12 0.42 -0.07 -1.93 0.00 0.00 178.83 176.50 3hf9 h LEU 99 N -0.52 0.65 -0.30 -2.39 3.38 -0.74 -1.20 115.31 114.18 3hf9 h LEU 99 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hf9 h LEU 99 Cb 0.41 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hf9 h LEU 99 CO 0.03 0.43 0.19 0.00 0.09 0.00 0.00 178.44 179.18 3hf9 h ALA 100 N 1.34 0.38 -0.76 1.53 0.00 -1.21 -0.13 119.26 120.41 3hf9 h ALA 100 Ca 0.31 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.36 3hf9 h ALA 100 Cb 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.71 3hf9 h ALA 100 CO -0.16 -0.16 0.26 -0.97 0.00 0.00 0.00 179.25 178.22 3hf9 h ASN 101 N 0.40 0.17 -0.27 0.00 -0.73 -0.92 0.26 115.58 114.48 3hf9 h ASN 101 Ca 0.11 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 3hf9 h ASN 101 Cb -0.03 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 3hf9 h ASN 101 CO -0.03 0.03 0.07 0.58 -0.37 0.00 0.00 177.43 177.71 3hf9 h VAL 102 N 0.36 1.21 -0.90 2.57 2.07 -0.18 -2.04 116.25 119.35 3hf9 h VAL 102 Ca 0.43 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3hf9 h VAL 102 Cb 0.72 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3hf9 h VAL 102 CO -0.47 0.22 0.53 1.88 0.02 0.00 0.00 177.57 179.76 3hf9 h TYR 103 N 0.27 1.19 0.14 1.57 0.05 -0.46 -1.58 116.97 118.15 3hf9 h TYR 103 Ca 0.09 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.87 3hf9 h TYR 103 Cb 0.27 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 3hf9 h TYR 103 CO 0.01 0.80 -0.25 0.00 -1.05 0.00 0.00 178.16 177.67 3hf9 h ALA 104 N 1.34 -0.44 0.00 3.88 0.00 -0.30 -0.33 119.26 123.42 3hf9 h ALA 104 Ca 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hf9 h ALA 104 Cb -0.04 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hf9 h ALA 104 CO -0.06 -0.79 -0.16 1.96 0.00 0.00 0.00 179.25 180.20 3hf9 h GLN 105 N -0.47 0.00 0.03 0.00 4.20 -1.06 0.77 115.11 118.58 3hf9 h GLN 105 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hf9 h GLN 105 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hf9 h GLN 105 CO -0.13 0.16 -0.01 1.15 -0.67 0.00 0.00 178.83 179.33 3hf9 h THR 106 N 0.00 1.30 -0.84 -0.54 2.02 -0.92 -1.94 112.91 111.98 3hf9 h THR 106 Ca -0.00 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.37 3hf9 h THR 106 Cb 0.39 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.14 3hf9 h THR 106 CO 0.02 0.41 0.51 -0.07 0.37 0.00 0.00 175.52 176.77 3hf9 h LEU 107 N -0.93 1.00 -0.26 2.58 3.38 -0.93 0.12 115.31 120.27 3hf9 h LEU 107 Ca -0.00 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hf9 h LEU 107 Cb 0.70 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hf9 h LEU 107 CO 0.01 0.76 0.12 1.23 0.09 0.00 0.00 178.44 180.65 3hf9 h GLY 108 N 1.17 0.34 0.97 0.83 0.00 -0.92 0.82 103.07 106.28 3hf9 h GLY 108 Ca 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3hf9 h GLY 108 CO -0.06 0.07 -0.02 -0.84 0.00 0.00 0.00 176.54 175.69 3hf9 h THR 109 N 0.26 0.98 -0.26 4.70 2.02 -0.62 -2.52 112.91 117.47 3hf9 h THR 109 Ca 0.11 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.26 3hf9 h THR 109 Cb 0.04 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3hf9 h THR 109 CO -0.08 0.02 -0.01 0.40 0.37 0.00 0.00 175.52 176.22 3hf9 h ILE 110 N -0.09 0.80 -0.28 3.11 2.04 -0.75 0.19 117.51 122.53 3hf9 h ILE 110 Ca -0.01 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3hf9 h ILE 110 Cb 0.07 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3hf9 h ILE 110 CO 0.01 0.01 0.23 0.15 0.00 0.00 0.00 178.15 178.55 3hf9 h PHE 111 N 0.06 0.00 0.00 1.37 3.57 -0.73 -1.93 116.94 119.29 3hf9 h PHE 111 Ca 0.12 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.38 3hf9 h PHE 111 Cb 0.17 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3hf9 h PHE 111 CO -0.21 0.00 -1.35 2.41 -2.23 0.00 0.00 178.31 176.93 3hf9 n THR 112 N -4.17 1.53 0.32 4.41 -1.04 -0.52 -4.77 114.28 110.05 3hf9 n THR 112 Ca 0.04 -0.05 0.06 0.00 -2.04 0.00 0.00 64.05 62.06 3hf9 n THR 112 Cb 0.39 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 66.78 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 -4.42 2.09 -2.46 -2.82 1.02 0.54 -4.98 120.64 109.61 3hf9 n GLU 113 Ca -0.33 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.53 3hf9 n GLU 113 Cb 0.69 -1.13 0.08 0.00 -0.02 0.00 0.00 31.44 31.06 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 -2.37 1.96 0.07 3.49 -0.21 -0.74 -5.02 119.66 116.84 3hf9 s GLN 114 Ca 0.01 -0.76 -0.16 0.00 0.02 0.00 0.00 55.36 54.47 3hf9 s GLN 114 Cb 0.08 -2.30 -0.14 0.00 1.00 0.00 0.00 33.01 31.65 3hf9 s GLN 114 CO 0.48 -1.27 1.31 0.00 -2.12 0.00 0.00 175.29 173.69 3hf9 h ALA 115 N -0.47 0.30 -3.78 6.09 0.00 -1.94 -3.44 119.26 116.02 3hf9 h ALA 115 Ca -0.41 -0.48 -0.49 0.00 0.00 0.00 0.00 54.91 53.54 3hf9 h ALA 115 Cb 1.28 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 115 CO 0.48 0.44 -0.81 0.21 0.00 0.00 0.00 179.25 179.57 3hf9 s LYS 116 N -3.96 1.38 0.58 0.00 2.20 -1.26 -5.13 119.74 113.56 3hf9 s LYS 116 Ca -0.12 -0.43 -0.20 0.00 -0.36 0.00 0.00 55.97 54.86 3hf9 s LYS 116 Cb 0.07 -1.22 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 3hf9 s LYS 116 CO 0.84 0.15 1.28 -1.25 -0.36 0.00 0.00 175.35 176.00 3hf9 s PRO 117 N 0.22 2.95 0.08 4.03 0.04 -1.26 -4.86 135.00 136.20 3hf9 s PRO 117 Ca -0.05 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 3hf9 s PRO 117 Cb -0.11 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 3hf9 s PRO 117 CO 0.02 -1.28 1.32 0.71 0.04 0.00 0.00 177.00 177.81 3hf9 s TYR 118 N -1.43 3.25 -1.33 0.56 1.51 -1.26 -4.89 117.35 113.76 3hf9 s TYR 118 Ca 0.76 1.06 -0.11 0.00 -1.01 0.00 0.00 57.07 57.77 3hf9 s TYR 118 Cb -0.36 -3.58 0.13 0.00 -0.11 0.00 0.00 41.96 38.04 3hf9 s TYR 118 CO 0.40 -1.99 1.94 0.39 -1.11 0.00 0.00 175.55 175.18 3hf9 n GLU 119 N 4.17 3.38 -4.17 -0.62 1.02 -1.26 -4.68 120.64 118.48 3hf9 n GLU 119 Ca 0.11 -3.28 -0.11 0.00 -0.02 0.00 0.00 57.16 53.86 3hf9 n GLU 119 Cb 0.44 -3.05 -0.10 0.00 -0.02 0.00 0.00 31.44 28.71 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 1.35 0.16 -0.13 2.62 -7.23 -1.26 -1.85 120.40 114.07 3hf9 s VAL 120 Ca 0.42 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3hf9 s VAL 120 Cb 0.10 -2.13 0.06 0.00 0.56 0.00 0.00 36.38 34.97 3hf9 s VAL 120 CO -0.02 -0.39 0.25 -0.70 -0.31 0.00 0.00 175.10 173.93 3hf9 s GLU 121 N -4.05 0.13 0.08 4.82 2.12 -0.56 -3.26 118.70 117.99 3hf9 s GLU 121 Ca 0.27 0.68 0.03 0.00 0.36 0.00 0.00 54.97 56.31 3hf9 s GLU 121 Cb 0.07 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 3hf9 s GLU 121 CO 0.04 -0.32 0.10 -0.51 -0.54 0.00 0.00 175.26 174.03 3hf9 s LEU 122 N 2.40 3.87 -0.08 2.70 1.02 -0.41 -1.33 118.68 126.85 3hf9 s LEU 122 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.19 3hf9 s LEU 122 Cb -0.12 -2.54 0.02 0.00 0.02 0.00 0.00 46.19 43.57 3hf9 s LEU 122 CO -0.08 0.17 -0.07 0.00 0.02 0.00 0.00 176.35 176.38 3hf9 s VAL 124 N 1.32 3.77 -0.07 0.00 1.01 -0.65 -1.00 120.40 124.77 3hf9 s VAL 124 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3hf9 s VAL 124 Cb -0.14 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3hf9 s VAL 124 CO -0.03 0.41 -0.18 0.00 0.00 0.00 0.00 175.10 175.30 3hf9 s ALA 125 N 1.28 2.45 0.10 5.51 0.00 -0.52 -1.10 121.76 129.47 3hf9 s ALA 125 Ca 0.04 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3hf9 s ALA 125 Cb -0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3hf9 s ALA 125 CO 0.00 0.42 -0.26 -2.00 0.00 0.00 0.00 175.76 173.92 3hf9 s GLU 126 N -0.22 1.58 0.24 0.00 2.12 -0.19 -0.98 118.70 121.25 3hf9 s GLU 126 Ca -0.01 -1.25 0.06 0.00 0.36 0.00 0.00 54.97 54.14 3hf9 s GLU 126 Cb -0.13 -1.95 -0.05 0.00 0.26 0.00 0.00 34.13 32.26 3hf9 s GLU 126 CO 0.03 0.48 -0.08 0.54 -0.54 0.00 0.00 175.26 175.69 3hf9 s VAL 127 N -0.98 1.57 0.55 3.70 0.11 -0.80 -1.96 120.40 122.59 3hf9 s VAL 127 Ca 0.13 -2.14 -0.19 0.00 -2.93 0.00 0.00 61.98 56.86 3hf9 s VAL 127 Cb -0.10 -2.28 -0.06 0.00 -1.53 0.00 0.00 36.38 32.41 3hf9 s VAL 127 CO 0.05 -0.42 1.11 0.00 -3.33 0.00 0.00 175.10 172.51 3hf9 s ALA 128 N -3.07 2.70 0.75 1.54 0.00 -1.26 -4.87 121.76 117.55 3hf9 s ALA 128 Ca 0.27 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3hf9 s ALA 128 Cb 0.02 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.86 3hf9 s ALA 128 CO 0.09 -0.74 1.16 -1.01 0.00 0.00 0.00 175.76 175.26 3hf9 s HIS 129 N -1.88 2.20 0.09 0.00 3.76 -1.26 -4.86 115.29 113.34 3hf9 s HIS 129 Ca 0.71 1.62 -0.18 0.00 -0.15 0.00 0.00 55.06 57.05 3hf9 s HIS 129 Cb -0.22 -3.31 -0.05 0.00 1.11 0.00 0.00 32.58 30.11 3hf9 s HIS 129 CO 0.27 -2.29 1.32 -0.92 -0.85 0.00 0.00 174.74 172.27 3hf9 h TYR 130 N -0.60 -1.08 0.09 1.40 3.20 -1.80 -2.52 116.97 115.65 3hf9 h TYR 130 Ca -0.46 0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.50 3hf9 h TYR 130 Cb 1.27 0.53 -0.03 0.00 1.54 0.00 0.00 36.73 40.04 3hf9 h TYR 130 CO 0.51 -0.24 -0.21 0.78 -1.64 0.00 0.00 178.16 177.37 3hf9 h GLY 131 N -0.07 -0.35 -0.86 1.82 0.00 -1.91 -3.47 103.07 98.24 3hf9 h GLY 131 Ca 0.08 0.24 -0.44 0.00 0.00 0.00 0.00 47.33 47.21 3hf9 h GLY 131 CO -0.49 -0.19 0.39 -1.83 0.00 0.00 0.00 176.54 174.42 3hf9 s GLU 132 N -6.10 0.28 -0.05 4.80 -1.05 -0.95 -5.08 118.70 110.54 3hf9 s GLU 132 Ca -0.15 -0.42 0.06 0.00 -0.15 0.00 0.00 54.97 54.31 3hf9 s GLU 132 Cb 0.08 -1.80 -0.01 0.00 -0.44 0.00 0.00 34.13 31.96 3hf9 s GLU 132 CO 0.66 -2.66 -0.24 0.95 0.95 0.00 0.00 175.26 174.92 3hf9 s THR 133 N -3.81 1.93 -0.05 1.83 -4.23 -1.26 -4.73 115.64 105.32 3hf9 s THR 133 Ca 0.75 -1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 3hf9 s THR 133 Cb -0.04 -1.64 0.10 0.00 1.34 0.00 0.00 72.50 72.26 3hf9 s THR 133 CO 0.54 0.54 0.83 -0.75 -0.54 0.00 0.00 174.62 175.24 3hf9 s LYS 134 N -0.14 0.86 -0.34 3.99 2.20 -1.26 -5.06 119.74 119.99 3hf9 s LYS 134 Ca -0.03 0.00 -0.23 0.00 -0.36 0.00 0.00 55.97 55.35 3hf9 s LYS 134 Cb -0.13 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3hf9 s LYS 134 CO 0.03 -0.31 0.78 0.50 -0.36 0.00 0.00 175.35 175.99 3hf9 s ARG 135 N -1.92 3.82 0.07 4.03 3.52 -1.26 -4.59 118.95 122.62 3hf9 s ARG 135 Ca -0.02 0.39 -0.37 0.00 -0.13 0.00 0.00 55.73 55.60 3hf9 s ARG 135 Cb -0.01 -3.78 -0.19 0.00 -1.56 0.00 0.00 34.95 29.42 3hf9 s ARG 135 CO -0.00 -0.79 1.01 -2.30 -0.81 0.00 0.00 175.30 172.40 3hf9 n PRO 136 N 6.33 0.26 -4.40 5.12 -0.02 -1.26 -4.95 135.00 136.08 3hf9 n PRO 136 Ca 0.03 0.09 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 3hf9 n PRO 136 Cb 0.48 -1.51 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.18 3.52 0.01 -0.52 2.02 -0.83 -4.93 118.70 117.79 3hf9 s GLU 137 Ca 0.83 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 55.38 3hf9 s GLU 137 Cb -1.12 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 3hf9 s GLU 137 CO 0.55 0.34 -0.16 -0.51 0.02 0.00 0.00 175.26 175.50 3hf9 s LEU 138 N 0.10 2.68 -0.01 1.80 1.02 -1.23 -1.02 118.68 122.02 3hf9 s LEU 138 Ca -0.00 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.85 3hf9 s LEU 138 Cb -0.13 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 3hf9 s LEU 138 CO 0.03 0.29 -0.11 -0.31 0.02 0.00 0.00 176.35 176.26 3hf9 s TYR 139 N -0.87 0.96 -0.17 0.29 1.51 -0.26 -3.20 117.35 115.61 3hf9 s TYR 139 Ca 0.14 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3hf9 s TYR 139 Cb -0.11 -0.62 -0.00 0.00 -0.11 0.00 0.00 41.96 41.12 3hf9 s TYR 139 CO 0.04 -0.02 -0.13 0.50 -1.11 0.00 0.00 175.55 174.83 3hf9 s ARG 140 N -0.25 3.23 -0.19 -0.62 3.52 -0.24 -1.64 118.95 122.76 3hf9 s ARG 140 Ca 0.04 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.89 3hf9 s ARG 140 Cb -0.04 -2.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 3hf9 s ARG 140 CO -0.00 -0.06 -0.08 0.42 -0.81 0.00 0.00 175.30 174.77 3hf9 s ILE 141 N 1.02 3.22 0.12 4.11 1.09 -0.12 -1.40 121.20 129.25 3hf9 s ILE 141 Ca -0.01 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 3hf9 s ILE 141 Cb -0.15 -2.42 -0.04 0.00 -1.06 0.00 0.00 42.46 38.79 3hf9 s ILE 141 CO -0.03 0.46 0.27 0.42 -0.10 0.00 0.00 174.94 175.96 3hf9 s THR 142 N 1.09 5.34 0.49 2.92 -4.23 -0.48 -1.28 115.64 119.49 3hf9 s THR 142 Ca 0.01 -0.56 0.40 0.00 -1.18 0.00 0.00 61.69 60.36 3hf9 s THR 142 Cb -0.15 -3.70 0.60 0.00 1.34 0.00 0.00 72.50 70.59 3hf9 s THR 142 CO -0.01 -0.01 1.59 0.10 -0.54 0.00 0.00 174.62 175.74 3hf9 h TYR 143 N 2.47 0.30 0.00 3.99 -0.00 -1.82 1.48 116.97 123.38 3hf9 h TYR 143 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3hf9 h TYR 143 Cb 1.18 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 37.84 3hf9 h TYR 143 CO 0.56 -0.16 0.00 -0.40 -0.00 0.00 0.00 178.16 178.16 3hf9 n ASP 144 N -4.40 0.00 0.00 0.10 5.75 -1.26 -4.54 116.55 112.20 3hf9 n ASP 144 Ca 0.41 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 3hf9 n ASP 144 Cb 1.73 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 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 0.35 0.73 3.77 6.12 0.00 0.50 -4.40 105.19 112.26 3hf9 n GLY 145 Ca 0.08 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.17 7.18 -0.12 1.61 0.01 -1.19 -4.75 113.70 114.27 3hf9 s SER 146 Ca 0.00 2.05 -0.00 0.00 1.31 0.00 0.00 55.95 59.31 3hf9 s SER 146 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.65 3hf9 s SER 146 CO 0.00 -0.19 -0.09 -0.51 0.41 0.00 0.00 173.24 172.86 3hf9 s ILE 147 N -1.42 1.15 0.17 1.44 2.07 -1.26 -1.39 121.20 121.96 3hf9 s ILE 147 Ca 0.49 -0.37 0.09 0.00 -1.41 0.00 0.00 60.65 59.45 3hf9 s ILE 147 Cb -0.25 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.15 3hf9 s ILE 147 CO 0.32 0.38 -0.09 0.00 -1.91 0.00 0.00 174.94 173.63 3hf9 s ALA 148 N 1.66 2.95 -0.38 1.50 0.00 -0.49 -4.98 121.76 122.03 3hf9 s ALA 148 Ca 0.05 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3hf9 s ALA 148 Cb -0.13 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.35 3hf9 s ALA 148 CO -0.09 0.48 0.16 0.16 0.00 0.00 0.00 175.76 176.47 3hf9 s ASP 149 N -2.79 3.98 0.63 0.00 -4.77 -1.26 -1.07 116.67 111.39 3hf9 s ASP 149 Ca 0.25 -2.19 -0.12 0.00 -3.30 0.00 0.00 52.55 47.18 3hf9 s ASP 149 Cb -0.09 -1.08 -0.03 0.00 -1.09 0.00 0.00 42.92 40.63 3hf9 s ASP 149 CO 0.15 -0.34 1.04 -1.61 0.70 0.00 0.00 175.17 175.11 3hf9 s GLU 150 N 0.90 3.39 -0.08 2.11 2.02 -1.20 -4.95 118.70 120.90 3hf9 s GLU 150 Ca 0.14 0.91 0.17 0.00 0.02 0.00 0.00 54.97 56.21 3hf9 s GLU 150 Cb -0.21 -2.05 -0.26 0.00 0.10 0.00 0.00 34.13 31.71 3hf9 s GLU 150 CO -0.11 -0.74 0.28 -0.35 0.02 0.00 0.00 175.26 174.36 3hf9 n PRO 151 N -2.60 0.79 -0.03 0.39 -0.05 -1.26 -3.56 135.00 128.68 3hf9 n PRO 151 Ca 0.07 -0.11 -0.07 0.00 -0.05 0.00 0.00 63.50 63.34 3hf9 n PRO 151 Cb 0.54 -1.44 -0.02 0.00 -0.05 0.00 0.00 33.50 32.52 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 -2.32 0.00 -3.95 0.54 8.25 -1.26 -4.87 115.22 111.61 3hf9 n HIS 152 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 3hf9 n HIS 152 Cb 0.69 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.22 0.37 -0.01 4.41 -0.12 -1.26 -1.90 117.98 117.24 3hf9 s PHE 153 Ca -0.12 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 3hf9 s PHE 153 Cb 0.04 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3hf9 s PHE 153 CO 0.16 -0.79 -0.01 0.08 -0.05 0.00 0.00 175.22 174.61 3hf9 s VAL 154 N -3.97 0.12 -0.05 -2.49 1.01 0.11 -4.82 120.40 110.31 3hf9 s VAL 154 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.20 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 0.02 0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 174.33 3hf9 s VAL 155 N 0.36 1.43 0.03 2.92 1.01 -1.26 -1.34 120.40 123.55 3hf9 s VAL 155 Ca -0.03 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3hf9 s VAL 155 Cb -0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3hf9 s VAL 155 CO -0.01 0.41 -0.07 -0.04 0.00 0.00 0.00 175.10 175.40 3hf9 s MET 156 N 0.20 0.47 0.16 2.72 -1.94 -0.31 -4.99 119.30 115.60 3hf9 s MET 156 Ca -0.07 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 3hf9 s MET 156 Cb -0.13 -0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.51 3hf9 s MET 156 CO 0.03 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.48 3hf9 n GLY 157 N 1.57 -2.86 7.00 -0.03 0.00 -1.26 -0.87 105.19 108.75 3hf9 n GLY 157 Ca -0.23 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.49 1.22 3.47 -0.02 0.00 -0.58 -4.24 105.19 102.55 3hf9 n GLY 158 Ca -0.02 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 4.82 0.05 2.61 -4.23 -1.26 -4.49 115.64 113.14 3hf9 s THR 159 Ca 0.00 -0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 3hf9 s THR 159 Cb 0.00 -4.30 -0.28 0.00 1.34 0.00 0.00 72.50 69.25 3hf9 s THR 159 CO 0.00 -0.79 1.05 0.71 -0.54 0.00 0.00 174.62 175.05 3hf9 h THR 160 N 5.88 1.39 -0.29 3.99 1.35 -1.95 -3.38 112.91 119.90 3hf9 h THR 160 Ca -0.27 -2.97 0.06 0.00 -0.55 0.00 0.00 66.41 62.68 3hf9 h THR 160 Cb 1.09 2.89 -0.06 0.00 -1.73 0.00 0.00 68.15 70.35 3hf9 h THR 160 CO 0.96 0.87 -0.08 -0.33 -0.25 0.00 0.00 175.52 176.68 3hf9 h GLU 161 N 0.07 -0.02 -0.62 4.72 3.07 -1.96 0.19 114.58 120.04 3hf9 h GLU 161 Ca -0.17 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.84 3hf9 h GLU 161 Cb 1.99 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.87 3hf9 h GLU 161 CO 0.19 -0.01 0.43 -1.35 -1.40 0.00 0.00 179.01 176.87 3hf9 h PRO 162 N -0.02 0.18 0.13 2.33 0.11 -1.90 -0.06 132.00 132.77 3hf9 h PRO 162 Ca 0.14 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.91 3hf9 h PRO 162 Cb 0.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3hf9 h PRO 162 CO -0.31 0.12 -1.74 0.82 -0.21 0.00 0.00 178.00 176.69 3hf9 h ILE 163 N 0.19 0.82 -0.57 4.15 2.04 -1.49 -2.88 117.51 119.77 3hf9 h ILE 163 Ca 0.30 -2.38 0.01 0.00 1.00 0.00 0.00 64.86 63.79 3hf9 h ILE 163 Cb 0.91 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 39.54 3hf9 h ILE 163 CO -0.05 0.79 0.37 0.00 0.00 0.00 0.00 178.15 179.25 3hf9 h ALA 164 N -0.00 0.72 -0.10 1.87 0.00 -0.29 -1.58 119.26 119.88 3hf9 h ALA 164 Ca -0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3hf9 h ALA 164 Cb 1.91 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3hf9 h ALA 164 CO 0.07 0.13 0.01 -0.91 0.00 0.00 0.00 179.25 178.56 3hf9 h ASN 165 N 0.74 0.17 -0.91 0.00 2.35 -1.17 -0.21 115.58 116.56 3hf9 h ASN 165 Ca 0.21 -0.27 0.20 0.00 -0.55 0.00 0.00 56.30 55.89 3hf9 h ASN 165 Cb -0.06 -0.04 -0.11 0.00 0.05 0.00 0.00 38.32 38.15 3hf9 h ASN 165 CO -0.06 0.40 0.46 0.00 -1.65 0.00 0.00 177.43 176.58 3hf9 h ALA 166 N 0.78 1.46 -0.04 -0.83 0.00 -1.34 -1.85 119.26 117.43 3hf9 h ALA 166 Ca 0.03 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hf9 h ALA 166 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hf9 h ALA 166 CO 0.00 -0.21 -0.26 -0.07 0.00 0.00 0.00 179.25 178.71 3hf9 h LEU 167 N 0.54 0.29 -1.00 0.00 3.38 -1.17 -2.49 115.31 114.87 3hf9 h LEU 167 Ca 0.54 -0.69 0.30 0.00 0.09 0.00 0.00 57.88 58.12 3hf9 h LEU 167 Cb 0.93 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 41.40 3hf9 h LEU 167 CO -0.45 0.94 0.11 0.11 0.09 0.00 0.00 178.44 179.24 3hf9 h LYS 168 N -0.33 0.00 0.14 1.13 1.57 -0.18 0.25 116.57 119.15 3hf9 h LYS 168 Ca -0.02 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 3hf9 h LYS 168 Cb 0.95 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3hf9 h LYS 168 CO 0.05 0.00 -1.78 1.05 -0.57 0.00 0.00 179.45 178.20 3hf9 h GLU 169 N 0.00 0.29 -0.35 3.15 4.11 -1.58 -3.36 114.58 116.86 3hf9 h GLU 169 Ca 0.65 -0.50 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3hf9 h GLU 169 Cb 1.41 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.85 3hf9 h GLU 169 CO -0.91 1.18 0.00 -1.13 0.07 0.00 0.00 179.01 178.22 3hf9 n SER 170 N -3.48 2.08 -4.54 3.06 3.41 -0.51 -4.88 113.62 108.76 3hf9 n SER 170 Ca -0.25 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.01 3hf9 n SER 170 Cb 1.06 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.54 3.11 -0.28 7.33 5.04 0.77 -4.94 117.35 126.83 3hf9 s TYR 171 Ca 0.29 0.10 -0.09 0.00 -2.44 0.00 0.00 57.07 54.93 3hf9 s TYR 171 Cb 0.15 -3.21 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 3hf9 s TYR 171 CO 0.21 -0.74 0.13 0.00 -1.34 0.00 0.00 175.55 173.80 3hf9 s ALA 172 N 2.71 3.29 0.21 3.97 0.00 -1.26 -5.02 121.76 125.66 3hf9 s ALA 172 Ca 0.22 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 3hf9 s ALA 172 Cb -0.14 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 3hf9 s ALA 172 CO 0.17 -0.65 1.05 -1.83 0.00 0.00 0.00 175.76 174.50 3hf9 s GLU 173 N 1.65 4.68 -0.25 0.00 -1.05 -1.26 -3.11 118.70 119.36 3hf9 s GLU 173 Ca 0.06 1.67 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 3hf9 s GLU 173 Cb -0.16 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.27 3hf9 s GLU 173 CO 0.06 0.23 0.00 0.09 0.95 0.00 0.00 175.26 176.59 3hf9 n ASN 174 N 1.88 -1.90 -4.68 0.83 4.13 -1.26 -4.95 115.26 109.32 3hf9 n ASN 174 Ca 0.01 0.01 -0.32 0.00 1.68 0.00 0.00 54.58 55.96 3hf9 n ASN 174 Cb 0.46 -1.09 0.15 0.00 -1.54 0.00 0.00 39.78 37.77 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 -2.13 1.59 0.98 5.41 0.00 -1.18 -4.33 121.76 122.09 3hf9 s ALA 175 Ca 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 3hf9 s ALA 175 Cb 0.00 -3.46 0.18 0.00 0.00 0.00 0.00 23.12 19.84 3hf9 s ALA 175 CO 0.00 -2.61 1.11 -1.54 0.00 0.00 0.00 175.76 172.72 3hf9 s SER 176 N -2.55 2.88 0.07 0.00 1.04 -1.26 -2.91 113.70 110.96 3hf9 s SER 176 Ca 0.68 1.05 -0.36 0.00 0.48 0.00 0.00 55.95 57.81 3hf9 s SER 176 Cb -0.24 -1.66 -0.20 0.00 0.10 0.00 0.00 66.02 64.02 3hf9 s SER 176 CO 0.56 -2.96 1.60 0.25 0.98 0.00 0.00 173.24 173.67 3hf9 h LEU 177 N -1.78 -0.99 -2.11 2.42 5.85 -1.97 -1.73 115.31 115.01 3hf9 h LEU 177 Ca -0.53 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.29 3hf9 h LEU 177 Cb 1.33 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 3hf9 h LEU 177 CO 0.59 -0.70 0.17 0.00 -0.34 0.00 0.00 178.44 178.16 3hf9 h THR 178 N -1.15 0.73 0.47 1.05 1.03 -1.93 -0.38 112.91 112.72 3hf9 h THR 178 Ca -0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.26 3hf9 h THR 178 Cb 0.88 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 3hf9 h THR 178 CO 0.18 0.00 -0.23 0.44 -0.01 0.00 0.00 175.52 175.91 3hf9 h ASP 179 N 0.00 -0.53 -0.82 0.00 3.45 -1.89 -3.00 116.42 113.63 3hf9 h ASP 179 Ca 0.10 0.00 0.17 0.00 0.43 0.00 0.00 57.03 57.73 3hf9 h ASP 179 Cb 0.43 0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.29 3hf9 h ASP 179 CO -0.00 -0.11 0.55 0.00 -1.57 0.00 0.00 179.24 178.10 3hf9 h ALA 180 N -1.13 2.16 -0.58 3.45 0.00 -0.79 -0.69 119.26 121.68 3hf9 h ALA 180 Ca -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hf9 h ALA 180 Cb 0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hf9 h ALA 180 CO 0.11 -0.40 0.26 1.25 0.00 0.00 0.00 179.25 180.46 3hf9 h LEU 181 N 0.41 0.78 0.19 0.00 5.85 -1.12 -1.42 115.31 120.00 3hf9 h LEU 181 Ca 0.41 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3hf9 h LEU 181 Cb 0.99 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3hf9 h LEU 181 CO -0.14 0.72 -0.09 0.03 -0.34 0.00 0.00 178.44 178.62 3hf9 h ARG 182 N 0.80 -0.25 -0.92 1.25 3.08 -1.00 -1.73 114.38 115.61 3hf9 h ARG 182 Ca 0.20 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.50 3hf9 h ARG 182 Cb 0.16 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.14 3hf9 h ARG 182 CO -0.02 0.02 0.40 0.82 -1.07 0.00 0.00 179.97 180.12 3hf9 h ILE 183 N -0.49 0.42 0.17 2.04 2.04 -1.22 0.28 117.51 120.74 3hf9 h ILE 183 Ca -0.03 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3hf9 h ILE 183 Cb 0.38 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3hf9 h ILE 183 CO 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 178.15 178.18 3hf9 h ALA 184 N 1.75 -0.23 -0.49 1.87 0.00 -1.15 -0.57 119.26 120.44 3hf9 h ALA 184 Ca 0.59 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.34 3hf9 h ALA 184 Cb 1.18 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3hf9 h ALA 184 CO -0.56 -0.38 0.33 0.28 0.00 0.00 0.00 179.25 178.92 3hf9 h VAL 185 N -0.72 0.99 0.87 0.00 2.07 -0.61 0.49 116.25 119.34 3hf9 h VAL 185 Ca -0.02 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3hf9 h VAL 185 Cb 0.51 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hf9 h VAL 185 CO 0.04 0.08 -0.42 0.00 0.02 0.00 0.00 177.57 177.29 3hf9 h ALA 186 N 1.73 -1.17 -0.31 1.67 0.00 -0.41 -2.72 119.26 118.05 3hf9 h ALA 186 Ca 0.21 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 186 Cb 0.25 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hf9 h ALA 186 CO -0.05 -1.09 0.28 0.00 0.00 0.00 0.00 179.25 178.39 3hf9 h ALA 187 N -1.32 2.06 0.00 0.00 0.00 -0.59 -0.24 119.26 119.18 3hf9 h ALA 187 Ca -0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3hf9 h ALA 187 Cb 0.90 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hf9 h ALA 187 CO 0.20 -0.44 -0.56 -0.07 0.00 0.00 0.00 179.25 178.37 3hf9 h LEU 188 N 0.00 0.00 -0.59 0.00 3.38 -0.81 -3.32 115.31 113.97 3hf9 h LEU 188 Ca 0.15 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3hf9 h LEU 188 Cb 0.71 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3hf9 h LEU 188 CO -0.00 0.56 0.16 0.03 0.09 0.00 0.00 178.44 179.29 3hf9 h ARG 189 N 0.00 0.30 0.00 1.13 3.08 -0.71 -3.49 114.38 114.69 3hf9 h ARG 189 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hf9 h ARG 189 Cb 1.08 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3hf9 h ARG 189 CO 0.07 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 3hf9 n ALA 190 N -2.54 0.36 0.00 0.04 0.00 -1.25 -5.13 120.51 111.99 3hf9 n ALA 190 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hf9 n ALA 190 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.13 0.00 0.04 0.00 0.24 -1.26 -4.67 118.33 112.55 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 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 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 -0.47 2.26 -0.94 2.33 0.00 -1.26 -4.41 120.51 118.02 3hf9 n ALA 206 Ca 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 53.44 52.57 3hf9 n ALA 206 Cb 0.00 -0.33 0.38 0.00 0.00 0.00 0.00 19.45 19.50 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 0.38 5.44 -4.23 0.00 7.64 -1.26 -4.86 113.62 116.74 3hf9 n SER 207 Ca 0.08 -2.99 -0.28 0.00 1.01 0.00 0.00 58.87 56.70 3hf9 n SER 207 Cb 0.33 -0.68 -0.16 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.81 2.04 -0.25 -3.43 1.43 -1.24 -0.89 118.68 113.53 3hf9 s LEU 208 Ca 0.53 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3hf9 s LEU 208 Cb 0.41 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3hf9 s LEU 208 CO 0.15 0.26 -0.00 -0.70 0.23 0.00 0.00 176.35 176.29 3hf9 s GLU 209 N -0.50 3.22 0.04 1.70 2.12 -0.44 -4.84 118.70 120.00 3hf9 s GLU 209 Ca 0.08 -0.74 0.07 0.00 0.36 0.00 0.00 54.97 54.74 3hf9 s GLU 209 Cb -0.08 -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 -0.19 0.08 -0.54 0.00 0.00 175.26 174.30 3hf9 s VAL 210 N 1.47 1.51 -0.04 3.70 1.01 -1.26 -1.76 120.40 125.02 3hf9 s VAL 210 Ca 0.04 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 3hf9 s VAL 210 Cb -0.16 -1.32 0.09 0.00 0.00 0.00 0.00 36.38 35.00 3hf9 s VAL 210 CO -0.01 0.18 0.79 0.00 0.00 0.00 0.00 175.10 176.06 3hf9 s ALA 211 N -0.76 -1.80 0.19 5.51 0.00 -0.81 -2.00 121.76 122.09 3hf9 s ALA 211 Ca 0.06 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.32 3hf9 s ALA 211 Cb -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 3hf9 s ALA 211 CO 0.01 -0.46 -0.14 0.14 0.00 0.00 0.00 175.76 175.31 3hf9 s VAL 212 N -1.84 1.68 -0.92 0.00 -7.23 0.16 -0.47 120.40 111.78 3hf9 s VAL 212 Ca -0.04 -2.14 -0.03 0.00 -1.81 0.00 0.00 61.98 57.96 3hf9 s VAL 212 Cb -0.00 -1.98 0.23 0.00 0.56 0.00 0.00 36.38 35.19 3hf9 s VAL 212 CO 0.01 -0.57 0.82 -0.22 -0.31 0.00 0.00 175.10 174.84 3hf9 s LEU 213 N -3.18 5.64 -0.39 1.32 2.96 0.42 -1.39 118.68 124.06 3hf9 s LEU 213 Ca 0.20 -3.72 -0.28 0.00 -0.22 0.00 0.00 54.13 50.11 3hf9 s LEU 213 Cb -0.01 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3hf9 s LEU 213 CO 0.06 -0.19 1.68 -0.62 -1.32 0.00 0.00 176.35 175.96 3hf9 s ASP 214 N 0.02 5.97 0.00 3.68 2.15 -0.69 -3.09 116.67 124.72 3hf9 s ASP 214 Ca 0.28 1.03 0.15 0.00 0.43 0.00 0.00 52.55 54.45 3hf9 s ASP 214 Cb -0.07 -2.53 0.92 0.00 -0.30 0.00 0.00 42.92 40.94 3hf9 s ASP 214 CO -0.12 -1.69 1.42 0.00 -0.17 0.00 0.00 175.17 174.61 3hf9 n ALA 215 N 10.07 2.34 0.98 3.66 0.00 -1.16 -2.49 120.51 133.92 3hf9 n ALA 215 Ca 0.20 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3hf9 n ALA 215 Cb 0.48 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.82 2.24 -4.79 0.00 5.15 -1.26 -4.61 115.26 111.17 3hf9 n ASN 216 Ca 0.12 -1.62 -0.36 0.00 -0.60 0.00 0.00 54.58 52.12 3hf9 n ASN 216 Cb 0.05 0.36 -0.06 0.00 -0.53 0.00 0.00 39.78 39.60 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 -2.33 4.49 0.13 1.20 1.81 -1.04 -5.01 118.95 118.20 3hf9 s ARG 217 Ca 0.20 1.28 -0.15 0.00 -1.72 0.00 0.00 55.73 55.35 3hf9 s ARG 217 Cb 0.18 -2.64 -0.00 0.00 -0.45 0.00 0.00 34.95 32.04 3hf9 s ARG 217 CO 0.50 0.19 1.65 -1.35 -0.68 0.00 0.00 175.30 175.62 3hf9 h PRO 218 N 2.85 0.66 0.00 3.54 0.11 -1.90 -3.41 132.00 133.84 3hf9 h PRO 218 Ca -0.47 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.49 3hf9 h PRO 218 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hf9 h PRO 218 CO 0.64 0.65 0.00 -2.13 -0.21 0.00 0.00 178.00 176.95 3hf9 n ARG 219 N -4.57 0.00 -2.83 1.05 0.63 -1.26 -4.50 116.66 105.18 3hf9 n ARG 219 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.51 3hf9 n ARG 219 Cb 0.18 -0.08 -0.04 0.00 0.45 0.00 0.00 32.46 32.98 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 -1.30 3.83 0.16 -0.14 0.52 -1.26 -4.31 118.95 116.45 3hf9 s ARG 220 Ca 0.00 0.54 0.09 0.00 -0.52 0.00 0.00 55.73 55.84 3hf9 s ARG 220 Cb 0.00 -3.80 -0.13 0.00 0.52 0.00 0.00 34.95 31.54 3hf9 s ARG 220 CO 0.00 -0.93 1.33 0.00 0.02 0.00 0.00 175.30 175.71 3hf9 h ALA 221 N 8.48 0.44 -2.81 2.13 0.00 -1.32 -3.46 119.26 122.72 3hf9 h ALA 221 Ca -0.23 -0.79 -0.53 0.00 0.00 0.00 0.00 54.91 53.36 3hf9 h ALA 221 Cb 1.08 -0.14 0.07 0.00 0.00 0.00 0.00 17.79 18.80 3hf9 h ALA 221 CO 0.97 1.08 0.73 0.12 0.00 0.00 0.00 179.25 182.15 3hf9 s PHE 222 N -2.79 2.97 -0.21 0.00 5.36 -1.26 -1.70 117.98 120.35 3hf9 s PHE 222 Ca 0.02 1.15 -0.10 0.00 -0.96 0.00 0.00 56.93 57.04 3hf9 s PHE 222 Cb 0.09 -3.81 0.07 0.00 -0.34 0.00 0.00 43.02 39.04 3hf9 s PHE 222 CO 0.80 -2.49 0.49 0.50 -1.46 0.00 0.00 175.22 173.06 3hf9 s ARG 223 N -1.00 0.46 -0.07 10.12 3.52 -0.48 -4.93 118.95 126.57 3hf9 s ARG 223 Ca 0.56 0.98 -0.16 0.00 -0.13 0.00 0.00 55.73 56.98 3hf9 s ARG 223 Cb -0.42 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.07 3hf9 s ARG 223 CO 0.49 -0.18 0.43 1.03 -0.81 0.00 0.00 175.30 176.26 3hf9 s ARG 224 N 1.80 4.15 -0.16 5.12 0.52 -1.26 -0.66 118.95 128.46 3hf9 s ARG 224 Ca -0.08 0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 55.49 3hf9 s ARG 224 Cb -0.09 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 3hf9 s ARG 224 CO -0.15 0.40 -0.05 0.42 0.02 0.00 0.00 175.30 175.95 3hf9 s ILE 225 N -0.14 3.72 0.20 1.52 1.01 -0.85 -4.97 121.20 121.68 3hf9 s ILE 225 Ca 0.24 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 3hf9 s ILE 225 Cb -0.16 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.71 3hf9 s ILE 225 CO 0.11 0.48 0.54 0.28 0.00 0.00 0.00 174.94 176.35 3hf9 s THR 226 N 0.56 0.02 0.00 2.92 -1.32 -1.26 -4.11 115.64 112.45 3hf9 s THR 226 Ca -0.04 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 3hf9 s THR 226 Cb -0.15 -1.62 0.00 0.00 -1.51 0.00 0.00 72.50 69.22 3hf9 s THR 226 CO 0.03 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 3hf9 n GLY 227 N -0.35 3.57 0.36 6.08 0.00 -1.26 -3.55 105.19 110.03 3hf9 n GLY 227 Ca -0.09 -0.10 -0.03 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 1.11 0.12 1.61 4.64 -2.00 -1.84 113.55 117.19 3hf9 h SER 228 Ca 0.00 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 3hf9 h SER 228 Cb 0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3hf9 h SER 228 CO 0.00 0.84 -0.33 0.00 -0.87 0.00 0.00 176.83 176.46 3hf9 h ALA 229 N 1.32 1.15 0.17 5.18 0.00 -1.99 -2.29 119.26 122.80 3hf9 h ALA 229 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 229 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hf9 h ALA 229 CO -0.07 0.55 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 3hf9 h LEU 230 N 0.27 -0.19 -0.22 0.00 6.46 -1.62 -2.95 115.31 117.06 3hf9 h LEU 230 Ca 0.03 -0.29 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 3hf9 h LEU 230 Cb 0.72 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.65 3hf9 h LEU 230 CO 0.06 0.21 -0.14 -0.61 -0.62 0.00 0.00 178.44 177.34 3hf9 h GLN 231 N -0.64 -0.12 0.00 1.25 4.15 -1.32 0.56 115.11 119.00 3hf9 h GLN 231 Ca -0.02 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3hf9 h GLN 231 Cb 0.47 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3hf9 h GLN 231 CO 0.04 -0.08 0.00 0.00 -1.93 0.00 0.00 178.83 176.86 3hf9 h ALA 232 N 1.04 1.00 0.00 3.38 0.00 -1.51 0.70 119.26 123.87 3hf9 h ALA 232 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 232 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hf9 h ALA 232 CO -0.30 0.00 -0.80 -0.07 0.00 0.00 0.00 179.25 178.08 3hf9 h LEU 233 N 0.00 0.00 -1.64 0.00 3.38 -0.70 -3.51 115.31 112.84 3hf9 h LEU 233 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hf9 h LEU 233 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hf9 h LEU 233 CO 0.00 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.51