#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 0.53 -0.65 3.49 4.15 -2.06 -3.21 115.11 117.37 3hf9 h GLN 11 Ca 0.00 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.13 3hf9 h GLN 11 Cb 0.00 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3hf9 h GLN 11 CO 0.00 0.94 0.43 0.00 -1.93 0.00 0.00 178.83 178.27 3hf9 h ALA 12 N 1.00 1.69 -0.55 3.38 0.00 -2.05 -0.15 119.26 122.58 3hf9 h ALA 12 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hf9 h ALA 12 Cb 1.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hf9 h ALA 12 CO 0.10 0.22 0.28 1.98 0.00 0.00 0.00 179.25 181.83 3hf9 h MET 13 N 0.72 0.79 -0.75 0.00 1.85 -1.98 0.10 114.93 115.66 3hf9 h MET 13 Ca 0.27 -0.11 -0.04 0.00 -0.61 0.00 0.00 59.70 59.21 3hf9 h MET 13 Cb 0.15 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 3hf9 h MET 13 CO -0.08 0.63 0.30 0.00 -0.40 0.00 0.00 176.91 177.37 3hf9 h ARG 14 N 0.75 1.11 -0.65 0.39 3.08 -1.27 -0.44 114.38 117.34 3hf9 h ARG 14 Ca 0.19 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 14 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3hf9 h ARG 14 CO -0.03 0.90 0.31 1.49 -1.07 0.00 0.00 179.97 181.57 3hf9 h GLU 15 N 1.07 0.94 -0.71 0.04 4.81 -0.56 -0.67 114.58 119.50 3hf9 h GLU 15 Ca 0.25 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3hf9 h GLU 15 Cb 0.20 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3hf9 h GLU 15 CO -0.02 0.75 0.18 0.00 -0.73 0.00 0.00 179.01 179.19 3hf9 h ARG 16 N 0.90 1.14 -0.85 1.92 3.08 -0.58 -2.09 114.38 117.89 3hf9 h ARG 16 Ca 0.22 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hf9 h ARG 16 Cb 0.13 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3hf9 h ARG 16 CO -0.03 1.00 0.47 1.03 -1.07 0.00 0.00 179.97 181.37 3hf9 h SER 17 N 1.07 1.07 -0.70 7.04 0.87 -0.57 -1.30 113.55 121.03 3hf9 h SER 17 Ca 0.22 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3hf9 h SER 17 Cb 0.37 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3hf9 h SER 17 CO 0.00 0.86 0.29 -0.33 -0.53 0.00 0.00 176.83 177.12 3hf9 h GLU 18 N 1.19 1.04 -0.74 2.24 4.39 -0.66 -0.82 114.58 121.22 3hf9 h GLU 18 Ca 0.30 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 3hf9 h GLU 18 Cb 0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 3hf9 h GLU 18 CO -0.05 0.85 0.21 1.25 -1.16 0.00 0.00 179.01 180.11 3hf9 h LEU 19 N 0.99 1.10 0.02 1.33 5.85 -0.85 -1.99 115.31 121.76 3hf9 h LEU 19 Ca 0.23 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hf9 h LEU 19 Cb 0.19 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hf9 h LEU 19 CO -0.02 1.03 -0.01 0.00 -0.34 0.00 0.00 178.44 179.09 3hf9 h ALA 20 N 1.11 -0.03 0.00 1.25 0.00 -0.90 -2.22 119.26 118.47 3hf9 h ALA 20 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 20 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 20 CO -0.00 -0.33 -0.11 -0.09 0.00 0.00 0.00 179.25 178.72 3hf9 h ARG 21 N -0.40 0.00 0.13 0.00 2.43 -1.14 -2.42 114.38 112.97 3hf9 h ARG 21 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hf9 h ARG 21 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3hf9 h ARG 21 CO 0.00 0.11 -0.06 0.87 -1.51 0.00 0.00 179.97 179.39 3hf9 h LYS 22 N 0.00 -0.16 -0.90 0.20 1.57 -1.32 -2.56 116.57 113.39 3hf9 h LYS 22 Ca -0.00 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.99 3hf9 h LYS 22 Cb 0.20 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 3hf9 h LYS 22 CO 0.01 0.30 0.59 0.78 -0.57 0.00 0.00 179.45 180.57 3hf9 h GLY 23 N -0.87 0.90 1.33 3.86 0.00 -1.28 -1.29 103.07 105.72 3hf9 h GLY 23 Ca -0.02 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 46.92 3hf9 h GLY 23 CO 0.03 -0.00 -0.68 -2.22 0.00 0.00 0.00 176.54 173.66 3hf9 h ILE 24 N 0.42 1.31 0.00 2.60 2.04 -1.48 -3.08 117.51 119.32 3hf9 h ILE 24 Ca 0.47 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3hf9 h ILE 24 Cb 1.14 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3hf9 h ILE 24 CO -0.18 0.61 0.00 0.00 0.00 0.00 0.00 178.15 178.58 3hf9 n ALA 25 N -2.56 1.88 0.80 1.87 0.00 -0.52 -1.31 120.51 120.68 3hf9 n ALA 25 Ca -0.05 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.40 3hf9 n ALA 25 Cb 0.69 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3hf9 n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hf9 n ARG 26 N -1.32 1.54 -2.96 0.00 1.74 -1.02 -4.08 116.66 110.57 3hf9 n ARG 26 Ca 0.07 -0.90 -0.21 0.00 -0.77 0.00 0.00 57.85 56.03 3hf9 n ARG 26 Cb 0.14 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.05 3.93 0.62 7.54 0.00 -1.06 -4.91 121.76 125.83 3hf9 s ALA 27 Ca 0.15 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 3hf9 s ALA 27 Cb 0.15 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hf9 s ALA 27 CO 0.45 -0.43 1.28 0.15 0.00 0.00 0.00 175.76 177.21 3hf9 s LYS 28 N -4.54 2.73 0.36 0.00 -0.14 -1.26 -1.85 119.74 115.04 3hf9 s LYS 28 Ca 0.51 2.01 -0.12 0.00 -1.36 0.00 0.00 55.97 57.02 3hf9 s LYS 28 Cb -0.10 -1.91 -0.07 0.00 -1.68 0.00 0.00 37.83 34.07 3hf9 s LYS 28 CO 0.37 -1.44 0.73 -1.12 -0.76 0.00 0.00 175.35 173.13 3hf9 s SER 29 N -1.41 6.61 0.01 2.83 0.01 -1.26 -4.26 113.70 116.24 3hf9 s SER 29 Ca 0.80 1.15 0.00 0.00 1.31 0.00 0.00 55.95 59.21 3hf9 s SER 29 Cb -0.36 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 3hf9 s SER 29 CO 0.38 -0.30 -0.02 -0.69 0.41 0.00 0.00 173.24 173.02 3hf9 s VAL 30 N -2.19 0.08 -0.03 3.43 1.01 0.24 -2.95 120.40 119.99 3hf9 s VAL 30 Ca 0.52 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3hf9 s VAL 30 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3hf9 s VAL 30 CO 0.26 -0.29 -0.07 -0.69 0.00 0.00 0.00 175.10 174.31 3hf9 s VAL 31 N -0.87 0.61 -0.08 2.92 1.01 0.40 -1.14 120.40 123.25 3hf9 s VAL 31 Ca -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3hf9 s VAL 31 Cb -0.06 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3hf9 s VAL 31 CO -0.01 0.21 -0.09 0.00 0.00 0.00 0.00 175.10 175.22 3hf9 s ALA 32 N 0.35 1.15 0.01 5.51 0.00 -0.51 -0.42 121.76 127.86 3hf9 s ALA 32 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3hf9 s ALA 32 Cb -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3hf9 s ALA 32 CO 0.00 -0.14 -0.02 -0.48 0.00 0.00 0.00 175.76 175.12 3hf9 s LEU 33 N 1.16 2.17 0.33 0.00 2.34 -0.36 0.10 118.68 124.42 3hf9 s LEU 33 Ca -0.06 -0.35 -0.27 0.00 0.06 0.00 0.00 54.13 53.51 3hf9 s LEU 33 Cb -0.14 0.06 -0.09 0.00 -0.56 0.00 0.00 46.19 45.45 3hf9 s LEU 33 CO -0.02 -0.21 1.06 0.00 -1.06 0.00 0.00 176.35 176.13 3hf9 s ALA 34 N -1.02 3.25 0.19 1.48 0.00 -0.33 -0.44 121.76 124.89 3hf9 s ALA 34 Ca -0.11 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 3hf9 s ALA 34 Cb -0.07 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3hf9 s ALA 34 CO -0.01 -0.15 0.17 1.52 0.00 0.00 0.00 175.76 177.29 3hf9 s TYR 35 N -1.40 0.97 0.23 0.00 -0.85 -0.13 -4.58 117.35 111.58 3hf9 s TYR 35 Ca 0.50 -1.24 -0.08 0.00 -0.52 0.00 0.00 57.07 55.73 3hf9 s TYR 35 Cb -0.27 -0.43 0.23 0.00 0.38 0.00 0.00 41.96 41.87 3hf9 s TYR 35 CO 0.34 -0.67 1.88 0.00 -1.52 0.00 0.00 175.55 175.58 3hf9 h ALA 36 N 2.62 1.07 -0.71 9.51 0.00 -1.69 -2.48 119.26 127.58 3hf9 h ALA 36 Ca -0.34 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3hf9 h ALA 36 Cb 1.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hf9 h ALA 36 CO 0.52 0.39 0.15 0.78 0.00 0.00 0.00 179.25 181.09 3hf9 h GLY 37 N 1.06 1.23 0.00 0.00 0.00 -1.92 -3.49 103.07 99.95 3hf9 h GLY 37 Ca 0.32 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3hf9 h GLY 37 CO -0.10 0.73 0.00 0.61 0.00 0.00 0.00 176.54 177.78 3hf9 n GLY 38 N -0.64 -0.72 3.75 4.60 0.00 -0.94 -3.04 105.19 108.20 3hf9 n GLY 38 Ca 0.05 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.00 4.53 -0.13 1.61 1.01 -1.14 -0.96 120.40 122.31 3hf9 s VAL 39 Ca 0.00 1.83 -0.03 0.00 0.00 0.00 0.00 61.98 63.78 3hf9 s VAL 39 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3hf9 s VAL 39 CO 0.00 0.39 -0.02 -0.22 0.00 0.00 0.00 175.10 175.24 3hf9 s LEU 40 N -0.33 3.37 -0.18 3.92 2.96 0.42 -0.72 118.68 128.12 3hf9 s LEU 40 Ca 0.41 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 3hf9 s LEU 40 Cb -0.22 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3hf9 s LEU 40 CO 0.27 0.23 -0.06 -0.36 -1.32 0.00 0.00 176.35 175.11 3hf9 s PHE 41 N -0.03 2.94 -0.07 5.38 0.08 0.11 -1.22 117.98 125.16 3hf9 s PHE 41 Ca 0.02 -0.66 -0.01 0.00 0.12 0.00 0.00 56.93 56.40 3hf9 s PHE 41 Cb -0.13 -1.99 0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3hf9 s PHE 41 CO 0.02 -0.30 -0.02 0.08 -0.10 0.00 0.00 175.22 174.90 3hf9 s VAL 42 N 0.85 0.52 0.07 -0.44 1.01 0.44 -1.69 120.40 121.15 3hf9 s VAL 42 Ca -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3hf9 s VAL 42 Cb -0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3hf9 s VAL 42 CO 0.01 0.27 -0.09 0.00 0.00 0.00 0.00 175.10 175.28 3hf9 s ALA 43 N 1.63 0.89 -0.39 5.51 0.00 -0.45 -0.46 121.76 128.49 3hf9 s ALA 43 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 3hf9 s ALA 43 Cb -0.13 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3hf9 s ALA 43 CO -0.04 -0.02 0.45 -1.83 0.00 0.00 0.00 175.76 174.31 3hf9 s GLU 44 N -2.27 3.29 -0.06 0.00 -1.05 -1.15 -0.55 118.70 116.91 3hf9 s GLU 44 Ca -0.01 -0.56 0.02 0.00 -0.15 0.00 0.00 54.97 54.27 3hf9 s GLU 44 Cb -0.06 -3.91 0.01 0.00 -0.44 0.00 0.00 34.13 29.74 3hf9 s GLU 44 CO -0.00 -0.76 -0.12 1.21 0.95 0.00 0.00 175.26 176.54 3hf9 s ASN 45 N 1.80 1.75 0.00 0.83 3.84 -0.56 -4.75 114.94 117.85 3hf9 s ASN 45 Ca 0.14 -0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.17 3hf9 s ASN 45 Cb -0.16 -0.82 0.58 0.00 -0.55 0.00 0.00 41.25 40.30 3hf9 s ASN 45 CO 0.14 0.03 1.46 -2.65 -2.79 0.00 0.00 177.10 173.29 3hf9 n PRO 46 N 3.81 1.34 -4.48 0.43 -0.02 -1.26 -3.61 135.00 131.21 3hf9 n PRO 46 Ca -0.23 -0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 59.99 3hf9 n PRO 46 Cb 0.52 -1.48 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 3hf9 n PRO 46 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hf9 s SER 47 N -2.30 4.17 0.17 2.55 1.04 -1.26 -4.99 113.70 113.08 3hf9 s SER 47 Ca 0.27 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 3hf9 s SER 47 Cb 0.20 -1.66 0.06 0.00 0.10 0.00 0.00 66.02 64.71 3hf9 s SER 47 CO 0.45 0.11 1.69 0.08 0.98 0.00 0.00 173.24 176.56 3hf9 h ARG 48 N 7.10 0.89 -0.61 4.02 0.11 -1.94 -3.22 114.38 120.73 3hf9 h ARG 48 Ca -0.31 -0.20 -0.08 0.00 0.10 0.00 0.00 59.98 59.49 3hf9 h ARG 48 Cb 1.19 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 3hf9 h ARG 48 CO 0.58 0.81 0.06 0.66 0.10 0.00 0.00 179.97 182.18 3hf9 h SER 49 N 0.81 1.01 -3.25 0.08 4.64 -2.01 -3.44 113.55 111.38 3hf9 h SER 49 Ca 0.18 -0.28 -0.60 0.00 -0.47 0.00 0.00 61.79 60.62 3hf9 h SER 49 Cb 0.29 -0.27 -0.12 0.00 -0.31 0.00 0.00 62.40 62.00 3hf9 h SER 49 CO -0.00 1.04 -0.47 -0.76 -0.87 0.00 0.00 176.83 175.77 3hf9 s LEU 50 N -9.42 4.22 -0.07 5.97 1.43 -1.22 -5.09 118.68 114.50 3hf9 s LEU 50 Ca -0.12 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3hf9 s LEU 50 Cb 0.13 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3hf9 s LEU 50 CO 0.85 0.18 -0.23 -1.10 0.23 0.00 0.00 176.35 176.27 3hf9 s GLN 51 N 0.32 2.71 0.00 1.70 1.11 -1.26 -4.64 119.66 119.59 3hf9 s GLN 51 Ca 0.09 -0.87 0.24 0.00 0.01 0.00 0.00 55.36 54.83 3hf9 s GLN 51 Cb -0.11 -2.24 0.36 0.00 -1.01 0.00 0.00 33.01 30.01 3hf9 s GLN 51 CO -0.01 0.34 1.31 1.63 0.01 0.00 0.00 175.29 178.58 3hf9 n LYS 52 N 3.07 0.57 -5.23 2.91 5.02 -1.26 -4.88 118.16 118.35 3hf9 n LYS 52 Ca -0.18 -0.39 -0.32 0.00 -2.02 0.00 0.00 58.31 55.40 3hf9 n LYS 52 Cb 0.52 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.71 2.10 0.16 -0.18 1.01 -1.26 -2.08 121.20 118.24 3hf9 s ILE 53 Ca 0.17 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 3hf9 s ILE 53 Cb 0.18 -1.77 0.06 0.00 0.01 0.00 0.00 42.46 40.94 3hf9 s ILE 53 CO 0.64 0.57 0.56 -0.55 0.00 0.00 0.00 174.94 176.15 3hf9 s SER 54 N -0.00 -0.49 0.51 3.58 0.15 0.33 -5.02 113.70 112.76 3hf9 s SER 54 Ca -0.08 -0.09 -0.21 0.00 0.70 0.00 0.00 55.95 56.27 3hf9 s SER 54 Cb -0.15 0.58 -0.07 0.00 -1.71 0.00 0.00 66.02 64.67 3hf9 s SER 54 CO 0.05 -0.95 1.12 -0.70 1.20 0.00 0.00 173.24 173.96 3hf9 s GLU 55 N -3.77 3.57 0.02 5.44 2.12 -1.26 -0.86 118.70 123.96 3hf9 s GLU 55 Ca 0.02 1.61 -0.02 0.00 0.36 0.00 0.00 54.97 56.93 3hf9 s GLU 55 Cb -0.00 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 3hf9 s GLU 55 CO -0.12 -0.67 -0.05 1.28 -0.54 0.00 0.00 175.26 175.16 3hf9 n LEU 56 N -0.97 0.89 0.00 2.70 4.77 -0.88 -4.80 117.00 118.71 3hf9 n LEU 56 Ca 0.10 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 3hf9 n LEU 56 Cb 0.50 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3hf9 n LEU 56 CO 0.43 -0.40 -0.10 0.00 -1.33 0.00 0.00 177.39 175.99 3hf9 n TYR 57 N -3.47 -0.33 -0.15 -1.77 9.36 -0.98 -4.75 117.16 115.06 3hf9 n TYR 57 Ca -0.04 -2.12 -0.06 0.00 3.32 0.00 0.00 57.90 58.99 3hf9 n TYR 57 Cb 0.25 0.14 0.03 0.00 -0.63 0.00 0.00 39.34 39.12 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hf9 h ASP 58 N 1.46 0.43 -0.13 2.98 3.32 -1.94 -3.17 116.42 119.36 3hf9 h ASP 58 Ca -0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3hf9 h ASP 58 Cb 0.94 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3hf9 h ASP 58 CO 0.31 0.30 0.00 0.54 -1.72 0.00 0.00 179.24 178.68 3hf9 n ARG 59 N -4.84 1.96 -4.61 3.56 5.12 -1.26 0.04 116.66 116.62 3hf9 n ARG 59 Ca 0.02 -1.84 -0.26 0.00 -1.93 0.00 0.00 57.85 53.85 3hf9 n ARG 59 Cb 0.07 -1.40 -0.14 0.00 -1.16 0.00 0.00 32.46 29.83 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 -1.55 1.71 0.46 1.55 0.11 -1.20 -1.39 120.40 120.09 3hf9 s VAL 60 Ca 0.27 -1.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 3hf9 s VAL 60 Cb 0.18 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 3hf9 s VAL 60 CO 0.26 0.18 0.10 -0.83 -3.33 0.00 0.00 175.10 171.48 3hf9 s GLY 61 N -1.28 2.86 -0.15 6.54 0.00 -0.26 -2.07 107.32 112.96 3hf9 s GLY 61 Ca 0.08 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 3hf9 s GLY 61 CO 0.02 -1.95 0.37 -0.12 0.00 0.00 0.00 173.10 171.42 3hf9 s PHE 62 N -3.09 -0.49 0.01 1.90 2.19 -0.04 -1.66 117.98 116.80 3hf9 s PHE 62 Ca 0.15 1.10 -0.00 0.00 0.33 0.00 0.00 56.93 58.51 3hf9 s PHE 62 Cb 0.01 0.18 -0.01 0.00 -1.31 0.00 0.00 43.02 41.89 3hf9 s PHE 62 CO 0.11 -0.27 -0.01 0.00 1.83 0.00 0.00 175.22 176.88 3hf9 s ALA 63 N 0.93 0.04 0.03 11.12 0.00 -0.10 -0.52 121.76 133.26 3hf9 s ALA 63 Ca -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 3hf9 s ALA 63 Cb -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3hf9 s ALA 63 CO -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 175.76 175.61 3hf9 s ALA 64 N -0.67 0.21 0.09 0.00 0.00 -0.88 0.11 121.76 120.62 3hf9 s ALA 64 Ca -0.07 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.16 3hf9 s ALA 64 Cb -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3hf9 s ALA 64 CO -0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 175.76 175.30 3hf9 s ALA 65 N -2.56 1.59 0.00 0.00 0.00 -0.38 -4.85 121.76 115.55 3hf9 s ALA 65 Ca -0.06 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3hf9 s ALA 65 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3hf9 s ALA 65 CO -0.05 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3hf9 n GLY 66 N 1.13 0.52 3.74 0.00 0.00 -1.26 -1.19 105.19 108.13 3hf9 n GLY 66 Ca -0.20 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -1.16 4.56 0.00 1.61 2.20 -0.69 -4.91 119.74 121.36 3hf9 s LYS 67 Ca 0.00 1.76 -0.12 0.00 -0.36 0.00 0.00 55.97 57.25 3hf9 s LYS 67 Cb 0.00 -3.27 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3hf9 s LYS 67 CO 0.00 0.02 0.86 0.35 -0.36 0.00 0.00 175.35 176.22 3hf9 h PHE 68 N 5.21 -0.41 -1.82 4.03 3.57 -1.96 -2.69 116.94 122.88 3hf9 h PHE 68 Ca -0.44 -0.01 0.55 0.00 3.53 0.00 0.00 57.97 61.59 3hf9 h PHE 68 Cb 1.21 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.99 3hf9 h PHE 68 CO 0.63 -0.25 1.28 -2.95 -2.23 0.00 0.00 178.31 174.78 3hf9 h ASN 69 N -0.59 0.05 0.01 0.41 -1.07 -1.99 0.13 115.58 112.54 3hf9 h ASN 69 Ca -0.04 0.04 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 3hf9 h ASN 69 Cb 0.34 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.62 3hf9 h ASN 69 CO 0.07 -0.06 -0.51 -0.33 0.07 0.00 0.00 177.43 176.67 3hf9 h GLU 70 N 0.00 0.03 0.00 4.14 5.08 -1.97 -3.03 114.58 118.83 3hf9 h GLU 70 Ca 0.92 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 59.15 3hf9 h GLU 70 Cb 3.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 32.77 3hf9 h GLU 70 CO -0.13 1.02 -0.40 0.27 -1.00 0.00 0.00 179.01 178.78 3hf9 h PHE 71 N -0.93 0.00 0.27 4.33 -5.15 -0.72 -2.68 116.94 112.06 3hf9 h PHE 71 Ca -0.13 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.62 3hf9 h PHE 71 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.34 3hf9 h PHE 71 CO 0.21 0.40 -0.13 0.22 -2.00 0.00 0.00 178.31 177.01 3hf9 h ASP 72 N 0.00 -0.31 -0.87 -0.68 3.58 -0.97 -1.65 116.42 115.52 3hf9 h ASP 72 Ca -0.00 -0.20 0.26 0.00 0.42 0.00 0.00 57.03 57.51 3hf9 h ASP 72 Cb 1.08 0.08 -0.16 0.00 1.72 0.00 0.00 39.33 42.05 3hf9 h ASP 72 CO 0.05 0.06 0.10 -3.20 -2.88 0.00 0.00 179.24 173.37 3hf9 n ASN 73 N -5.10 -0.03 0.01 2.28 5.15 -1.14 0.18 115.26 116.60 3hf9 n ASN 73 Ca -0.09 1.48 -0.08 0.00 -0.60 0.00 0.00 54.58 55.28 3hf9 n ASN 73 Cb 0.26 -0.57 0.08 0.00 -0.53 0.00 0.00 39.78 39.02 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 0.59 -0.73 1.20 3.38 -1.12 -1.95 115.31 116.68 3hf9 h LEU 74 Ca 0.57 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3hf9 h LEU 74 Cb 1.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3hf9 h LEU 74 CO -0.79 0.98 0.33 -0.09 0.09 0.00 0.00 178.44 178.96 3hf9 h ARG 75 N 0.42 1.06 -0.24 1.13 2.43 0.69 0.45 114.38 120.33 3hf9 h ARG 75 Ca 0.02 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 3hf9 h ARG 75 Cb 1.02 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3hf9 h ARG 75 CO 0.09 0.85 -0.02 0.00 -1.51 0.00 0.00 179.97 179.38 3hf9 h ARG 76 N 1.03 0.43 -0.66 0.20 3.08 -0.92 -1.67 114.38 115.87 3hf9 h ARG 76 Ca 0.25 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3hf9 h ARG 76 Cb 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3hf9 h ARG 76 CO -0.03 0.63 0.43 0.78 -1.07 0.00 0.00 179.97 180.72 3hf9 h GLY 77 N 0.19 0.90 0.81 0.04 0.00 -1.09 0.26 103.07 104.19 3hf9 h GLY 77 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3hf9 h GLY 77 CO 0.02 0.29 -0.06 -1.33 0.00 0.00 0.00 176.54 175.45 3hf9 h GLY 78 N 0.82 -0.18 0.57 4.60 0.00 -0.63 0.35 103.07 108.60 3hf9 h GLY 78 Ca 0.26 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.70 3hf9 h GLY 78 CO -0.07 -0.07 0.04 -2.22 0.00 0.00 0.00 176.54 174.23 3hf9 h ILE 79 N -0.36 0.81 -0.27 2.60 2.04 -0.90 0.65 117.51 122.08 3hf9 h ILE 79 Ca -0.02 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3hf9 h ILE 79 Cb 0.29 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3hf9 h ILE 79 CO 0.03 0.03 -0.35 1.56 0.00 0.00 0.00 178.15 179.42 3hf9 h GLN 80 N 0.15 -0.33 -0.04 2.37 1.08 -0.83 0.25 115.11 117.76 3hf9 h GLN 80 Ca 0.16 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3hf9 h GLN 80 Cb 0.19 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3hf9 h GLN 80 CO -0.22 -0.22 0.03 0.35 -0.95 0.00 0.00 178.83 177.81 3hf9 h PHE 81 N -0.34 0.05 0.14 2.96 3.57 -0.37 -2.75 116.94 120.19 3hf9 h PHE 81 Ca 0.13 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hf9 h PHE 81 Cb 0.56 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 3hf9 h PHE 81 CO -0.50 0.06 -0.09 0.00 -2.23 0.00 0.00 178.31 175.54 3hf9 h ALA 82 N 0.99 -0.22 -0.96 2.41 0.00 -0.40 -1.04 119.26 120.04 3hf9 h ALA 82 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 82 Cb 0.02 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3hf9 h ALA 82 CO -0.00 -0.63 0.62 -0.44 0.00 0.00 0.00 179.25 178.80 3hf9 h ASP 83 N -0.23 1.00 -0.31 0.00 3.32 -0.98 -1.33 116.42 117.89 3hf9 h ASP 83 Ca -0.01 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3hf9 h ASP 83 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3hf9 h ASP 83 CO 0.01 0.66 0.17 0.74 -1.72 0.00 0.00 179.24 179.10 3hf9 h THR 84 N 1.15 1.13 -0.31 0.35 2.02 -1.15 -2.42 112.91 113.68 3hf9 h THR 84 Ca 0.40 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3hf9 h THR 84 Cb 0.10 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3hf9 h THR 84 CO -0.14 0.13 0.18 0.03 0.37 0.00 0.00 175.52 176.09 3hf9 h ARG 85 N 0.39 0.42 -0.31 6.66 2.47 -0.52 -1.55 114.38 121.94 3hf9 h ARG 85 Ca 0.11 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 3hf9 h ARG 85 Cb 0.06 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 3hf9 h ARG 85 CO -0.02 0.34 0.22 0.78 0.56 0.00 0.00 179.97 181.85 3hf9 h GLY 86 N 0.38 0.08 1.39 0.04 0.00 -1.22 0.22 103.07 103.97 3hf9 h GLY 86 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 47.33 47.12 3hf9 h GLY 86 CO -0.02 0.02 -1.42 -1.82 0.00 0.00 0.00 176.54 173.30 3hf9 h TYR 87 N 0.06 0.51 0.00 5.60 3.20 -1.14 -3.33 116.97 121.88 3hf9 h TYR 87 Ca 0.14 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3hf9 h TYR 87 Cb 0.50 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3hf9 h TYR 87 CO -0.00 1.36 -0.32 0.00 -1.64 0.00 0.00 178.16 177.56 3hf9 h ALA 88 N 0.50 0.81 -3.00 1.82 0.00 -0.42 -3.45 119.26 115.52 3hf9 h ALA 88 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hf9 h ALA 88 Cb 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hf9 h ALA 88 CO 0.19 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.10 3hf9 n TYR 89 N -2.49 0.00 -4.42 0.00 4.01 0.70 -5.07 117.16 109.90 3hf9 n TYR 89 Ca 0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.57 3hf9 n TYR 89 Cb 0.47 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.40 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 2.61 0.40 7.72 3.84 -1.25 -4.97 116.67 126.02 3hf9 s ASP 90 Ca 0.00 -1.22 0.28 0.00 -0.00 0.00 0.00 52.55 51.62 3hf9 s ASP 90 Cb 0.00 -0.14 1.19 0.00 -1.38 0.00 0.00 42.92 42.59 3hf9 s ASP 90 CO 0.00 -0.40 1.85 0.03 -0.00 0.00 0.00 175.17 176.65 3hf9 h ARG 91 N 2.28 0.00 -0.32 2.11 3.08 -1.91 -3.04 114.38 116.58 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 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3hf9 h ARG 91 CO 0.67 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.11 3hf9 n ARG 92 N -2.63 1.98 0.14 0.04 1.74 -1.26 -3.61 116.66 113.07 3hf9 n ARG 92 Ca 0.01 -1.50 0.02 0.00 -0.77 0.00 0.00 57.85 55.61 3hf9 n ARG 92 Cb 0.25 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.36 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 2.75 0.00 -3.05 0.55 3.58 -1.90 -3.44 116.42 114.91 3hf9 h ASP 93 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3hf9 h ASP 93 Cb 0.61 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 3hf9 h ASP 93 CO 0.00 0.52 0.88 -0.69 -2.88 0.00 0.00 179.24 177.07 3hf9 s VAL 94 N -3.04 4.40 0.09 2.25 1.01 -1.24 -4.94 120.40 118.93 3hf9 s VAL 94 Ca 0.03 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.71 3hf9 s VAL 94 Cb 0.08 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3hf9 s VAL 94 CO 0.74 -0.25 -0.11 0.42 0.00 0.00 0.00 175.10 175.90 3hf9 s THR 95 N 3.59 0.94 0.12 3.92 -4.23 -1.26 -4.95 115.64 113.77 3hf9 s THR 95 Ca 0.51 -1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.27 3hf9 s THR 95 Cb -0.18 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 3hf9 s THR 95 CO 0.14 -0.47 1.66 1.23 -0.54 0.00 0.00 174.62 176.64 3hf9 h GLY 96 N 3.82 -0.23 -1.00 3.99 0.00 -1.94 -1.99 103.07 105.73 3hf9 h GLY 96 Ca -0.38 0.23 0.14 0.00 0.00 0.00 0.00 47.33 47.31 3hf9 h GLY 96 CO 0.49 -0.17 -0.45 -2.13 0.00 0.00 0.00 176.54 174.27 3hf9 n ARG 97 N -5.32 -0.29 0.20 4.80 0.00 -1.26 -1.47 116.66 113.31 3hf9 n ARG 97 Ca -0.04 1.53 -0.15 0.00 -0.00 0.00 0.00 57.85 59.19 3hf9 n ARG 97 Cb 0.24 -2.26 -0.08 0.00 0.00 0.00 0.00 32.46 30.36 3hf9 n ARG 97 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 3hf9 h GLN 98 N 0.00 -0.46 -0.61 -0.14 4.15 -1.82 -2.26 115.11 113.97 3hf9 h GLN 98 Ca 0.29 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.83 3hf9 h GLN 98 Cb 0.54 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.27 3hf9 h GLN 98 CO -0.97 -0.23 0.27 -0.07 -1.93 0.00 0.00 178.83 175.89 3hf9 h LEU 99 N -0.61 0.32 -0.32 -2.39 3.38 -0.93 -1.58 115.31 113.17 3hf9 h LEU 99 Ca -0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hf9 h LEU 99 Cb 0.45 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hf9 h LEU 99 CO 0.08 0.19 0.18 0.00 0.09 0.00 0.00 178.44 178.99 3hf9 h ALA 100 N 1.39 0.39 -0.87 1.53 0.00 -1.23 0.01 119.26 120.48 3hf9 h ALA 100 Ca 0.30 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.40 3hf9 h ALA 100 Cb 0.32 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 3hf9 h ALA 100 CO -0.26 -0.18 0.40 -0.97 0.00 0.00 0.00 179.25 178.24 3hf9 h ASN 101 N 0.38 0.40 -0.12 0.00 -0.73 -0.89 0.26 115.58 114.87 3hf9 h ASN 101 Ca 0.12 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.40 3hf9 h ASN 101 Cb 0.00 0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 3hf9 h ASN 101 CO -0.06 0.08 -0.01 0.58 -0.37 0.00 0.00 177.43 177.65 3hf9 h VAL 102 N 0.48 1.27 -0.69 2.57 2.07 -0.31 -2.21 116.25 119.43 3hf9 h VAL 102 Ca 0.52 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3hf9 h VAL 102 Cb 0.90 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3hf9 h VAL 102 CO -0.47 0.25 0.37 1.88 0.02 0.00 0.00 177.57 179.63 3hf9 h TYR 103 N -0.06 0.95 0.02 1.57 0.05 -0.26 -0.96 116.97 118.28 3hf9 h TYR 103 Ca 0.03 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3hf9 h TYR 103 Cb 0.40 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 3hf9 h TYR 103 CO 0.04 0.67 -0.07 0.00 -1.05 0.00 0.00 178.16 177.75 3hf9 h ALA 104 N 1.43 -0.09 0.00 3.88 0.00 -0.34 -0.10 119.26 124.04 3hf9 h ALA 104 Ca 0.24 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hf9 h ALA 104 Cb 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hf9 h ALA 104 CO -0.04 -0.57 -0.20 1.96 0.00 0.00 0.00 179.25 180.41 3hf9 h GLN 105 N -0.13 0.00 0.04 0.00 4.20 -0.75 0.21 115.11 118.68 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 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3hf9 h GLN 105 CO -0.05 0.20 -0.02 1.15 -0.67 0.00 0.00 178.83 179.43 3hf9 h THR 106 N 0.00 1.00 -0.90 -0.54 2.02 -0.83 -2.19 112.91 111.48 3hf9 h THR 106 Ca -0.00 -1.61 0.07 0.00 0.77 0.00 0.00 66.41 65.64 3hf9 h THR 106 Cb 0.50 1.84 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 3hf9 h THR 106 CO 0.03 0.32 0.58 -0.07 0.37 0.00 0.00 175.52 176.75 3hf9 h LEU 107 N -0.96 0.88 -0.45 2.58 3.38 -0.93 -0.54 115.31 119.27 3hf9 h LEU 107 Ca -0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hf9 h LEU 107 Cb 0.57 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3hf9 h LEU 107 CO 0.01 0.55 0.28 1.23 0.09 0.00 0.00 178.44 180.61 3hf9 h GLY 108 N 0.99 0.64 0.79 0.83 0.00 -0.65 -0.18 103.07 105.48 3hf9 h GLY 108 Ca 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3hf9 h GLY 108 CO -0.15 0.20 0.02 -0.84 0.00 0.00 0.00 176.54 175.77 3hf9 h THR 109 N 0.57 1.21 -0.31 4.70 2.02 -0.70 -2.73 112.91 117.68 3hf9 h THR 109 Ca 0.17 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.74 3hf9 h THR 109 Cb -0.03 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3hf9 h THR 109 CO -0.06 0.19 0.04 0.40 0.37 0.00 0.00 175.52 176.46 3hf9 h ILE 110 N -0.08 0.82 -0.18 3.11 2.04 -0.92 0.25 117.51 122.54 3hf9 h ILE 110 Ca 0.03 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3hf9 h ILE 110 Cb 0.28 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3hf9 h ILE 110 CO 0.00 0.03 0.13 0.15 0.00 0.00 0.00 178.15 178.46 3hf9 h PHE 111 N 0.14 0.00 0.01 1.37 3.57 -1.00 -1.69 116.94 119.34 3hf9 h PHE 111 Ca 0.15 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.43 3hf9 h PHE 111 Cb 0.18 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3hf9 h PHE 111 CO -0.19 0.00 -1.17 1.15 -2.23 0.00 0.00 178.31 175.87 3hf9 h THR 112 N 0.00 0.99 0.00 4.41 2.02 -0.92 -3.44 112.91 115.97 3hf9 h THR 112 Ca 0.09 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.06 3hf9 h THR 112 Cb 0.35 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3hf9 h THR 112 CO -0.00 0.38 -1.24 -0.62 0.37 0.00 0.00 175.52 174.40 3hf9 n GLU 113 N -4.40 1.25 -2.40 6.66 1.02 0.75 -5.00 120.64 118.52 3hf9 n GLU 113 Ca -0.30 -0.08 -0.25 0.00 -0.02 0.00 0.00 57.16 56.52 3hf9 n GLU 113 Cb 0.68 -1.23 0.10 0.00 -0.02 0.00 0.00 31.44 30.97 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 -2.64 1.82 0.10 3.49 -0.21 -0.65 -5.01 119.66 116.55 3hf9 s GLN 114 Ca -0.01 -0.73 -0.14 0.00 0.02 0.00 0.00 55.36 54.50 3hf9 s GLN 114 Cb 0.09 -2.25 -0.11 0.00 1.00 0.00 0.00 33.01 31.73 3hf9 s GLN 114 CO 0.52 -1.40 1.36 0.00 -2.12 0.00 0.00 175.29 173.66 3hf9 h ALA 115 N -0.60 0.38 -3.67 6.09 0.00 -1.94 -3.44 119.26 116.07 3hf9 h ALA 115 Ca -0.41 -0.49 -0.46 0.00 0.00 0.00 0.00 54.91 53.55 3hf9 h ALA 115 Cb 1.28 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 3hf9 h ALA 115 CO 0.47 0.54 -0.80 0.21 0.00 0.00 0.00 179.25 179.68 3hf9 s LYS 116 N -4.07 1.23 0.64 0.00 2.20 -1.26 -5.12 119.74 113.37 3hf9 s LYS 116 Ca -0.12 -0.34 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 3hf9 s LYS 116 Cb 0.09 -1.10 -0.01 0.00 -1.51 0.00 0.00 37.83 35.30 3hf9 s LYS 116 CO 0.86 0.08 1.23 -1.25 -0.36 0.00 0.00 175.35 175.91 3hf9 s PRO 117 N 0.40 2.65 0.03 4.03 0.04 -1.26 -4.87 135.00 136.03 3hf9 s PRO 117 Ca -0.08 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 3hf9 s PRO 117 Cb -0.12 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3hf9 s PRO 117 CO 0.02 -1.47 1.12 0.71 0.04 0.00 0.00 177.00 177.42 3hf9 s TYR 118 N -1.67 3.50 -1.34 0.56 1.51 -1.26 -4.91 117.35 113.75 3hf9 s TYR 118 Ca 0.78 1.44 -0.12 0.00 -1.01 0.00 0.00 57.07 58.15 3hf9 s TYR 118 Cb -0.32 -3.32 0.12 0.00 -0.11 0.00 0.00 41.96 38.33 3hf9 s TYR 118 CO 0.38 -0.84 1.95 0.39 -1.11 0.00 0.00 175.55 176.32 3hf9 n GLU 119 N 3.97 3.30 -4.11 -0.62 1.02 -1.26 -4.67 120.64 118.27 3hf9 n GLU 119 Ca 0.08 -3.21 -0.10 0.00 -0.02 0.00 0.00 57.16 53.90 3hf9 n GLU 119 Cb 0.48 -3.11 -0.09 0.00 -0.02 0.00 0.00 31.44 28.70 3hf9 n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hf9 s VAL 120 N 1.78 0.06 -0.14 2.62 -7.23 -1.26 -1.70 120.40 114.53 3hf9 s VAL 120 Ca 0.44 -1.79 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 3hf9 s VAL 120 Cb 0.10 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.96 3hf9 s VAL 120 CO -0.02 -0.26 0.28 -0.70 -0.31 0.00 0.00 175.10 174.08 3hf9 s GLU 121 N -4.06 0.17 0.12 4.82 2.12 -0.33 -3.31 118.70 118.23 3hf9 s GLU 121 Ca 0.27 0.78 0.04 0.00 0.36 0.00 0.00 54.97 56.41 3hf9 s GLU 121 Cb 0.06 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 3hf9 s GLU 121 CO 0.05 -0.28 0.09 -0.51 -0.54 0.00 0.00 175.26 174.08 3hf9 s LEU 122 N 2.40 3.76 -0.06 2.70 1.02 -0.47 -1.25 118.68 126.77 3hf9 s LEU 122 Ca 0.01 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.08 3hf9 s LEU 122 Cb -0.12 -2.42 0.02 0.00 0.02 0.00 0.00 46.19 43.69 3hf9 s LEU 122 CO -0.09 0.13 -0.07 0.00 0.02 0.00 0.00 176.35 176.34 3hf9 s VAL 124 N 1.09 3.28 -0.10 0.00 1.01 -0.57 -0.93 120.40 124.18 3hf9 s VAL 124 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3hf9 s VAL 124 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3hf9 s VAL 124 CO -0.01 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 3hf9 s ALA 125 N 1.45 2.54 0.11 5.51 0.00 -0.66 -1.47 121.76 129.24 3hf9 s ALA 125 Ca 0.06 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.17 3hf9 s ALA 125 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3hf9 s ALA 125 CO -0.04 0.34 -0.15 -2.00 0.00 0.00 0.00 175.76 173.91 3hf9 s GLU 126 N 0.06 1.92 0.25 0.00 2.12 -0.09 -1.11 118.70 121.86 3hf9 s GLU 126 Ca -0.06 -1.11 0.05 0.00 0.36 0.00 0.00 54.97 54.20 3hf9 s GLU 126 Cb -0.15 -2.18 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 3hf9 s GLU 126 CO 0.05 0.49 -0.02 0.54 -0.54 0.00 0.00 175.26 175.78 3hf9 s VAL 127 N -1.15 1.29 0.56 3.70 0.11 -0.49 -2.06 120.40 122.36 3hf9 s VAL 127 Ca 0.19 -2.07 -0.17 0.00 -2.93 0.00 0.00 61.98 56.99 3hf9 s VAL 127 Cb -0.11 -2.40 -0.05 0.00 -1.53 0.00 0.00 36.38 32.29 3hf9 s VAL 127 CO 0.11 -0.31 1.06 0.00 -3.33 0.00 0.00 175.10 172.64 3hf9 s ALA 128 N -3.24 2.75 0.73 1.54 0.00 -1.26 -4.86 121.76 117.42 3hf9 s ALA 128 Ca 0.29 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 3hf9 s ALA 128 Cb 0.05 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.95 3hf9 s ALA 128 CO 0.10 -0.69 1.12 -1.01 0.00 0.00 0.00 175.76 175.28 3hf9 s HIS 129 N -2.22 2.44 0.08 0.00 3.76 -1.26 -4.83 115.29 113.25 3hf9 s HIS 129 Ca 0.66 1.58 -0.15 0.00 -0.15 0.00 0.00 55.06 57.00 3hf9 s HIS 129 Cb -0.17 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 3hf9 s HIS 129 CO 0.31 -1.95 1.27 -0.92 -0.85 0.00 0.00 174.74 172.60 3hf9 h TYR 130 N -0.59 -0.91 0.08 1.40 3.20 -1.80 -2.73 116.97 115.61 3hf9 h TYR 130 Ca -0.45 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.50 3hf9 h TYR 130 Cb 1.25 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 39.93 3hf9 h TYR 130 CO 0.54 -0.19 -0.32 0.78 -1.64 0.00 0.00 178.16 177.34 3hf9 h GLY 131 N -0.04 -0.57 -0.86 1.82 0.00 -1.91 -3.47 103.07 98.04 3hf9 h GLY 131 Ca 0.07 0.38 -0.43 0.00 0.00 0.00 0.00 47.33 47.34 3hf9 h GLY 131 CO -0.43 -0.24 0.33 -1.83 0.00 0.00 0.00 176.54 174.37 3hf9 s GLU 132 N -6.01 -0.06 -0.06 4.80 -1.05 -1.03 -5.08 118.70 110.21 3hf9 s GLU 132 Ca -0.16 -0.32 0.05 0.00 -0.15 0.00 0.00 54.97 54.39 3hf9 s GLU 132 Cb 0.08 -1.76 -0.01 0.00 -0.44 0.00 0.00 34.13 32.01 3hf9 s GLU 132 CO 0.65 -2.90 -0.22 0.95 0.95 0.00 0.00 175.26 174.70 3hf9 s THR 133 N -3.60 1.80 -0.01 1.83 -4.23 -1.26 -4.72 115.64 105.44 3hf9 s THR 133 Ca 0.73 -0.92 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 3hf9 s THR 133 Cb -0.05 -1.53 0.08 0.00 1.34 0.00 0.00 72.50 72.33 3hf9 s THR 133 CO 0.54 0.51 0.74 -0.75 -0.54 0.00 0.00 174.62 175.11 3hf9 s LYS 134 N -0.02 1.01 -0.11 3.99 2.20 -1.26 -5.06 119.74 120.49 3hf9 s LYS 134 Ca -0.05 -0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.29 3hf9 s LYS 134 Cb -0.13 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 3hf9 s LYS 134 CO 0.04 -0.37 0.85 0.50 -0.36 0.00 0.00 175.35 176.00 3hf9 s ARG 135 N -2.05 4.38 0.24 4.03 3.52 -1.26 -4.62 118.95 123.19 3hf9 s ARG 135 Ca -0.05 1.09 -0.28 0.00 -0.13 0.00 0.00 55.73 56.36 3hf9 s ARG 135 Cb -0.00 -3.52 -0.16 0.00 -1.56 0.00 0.00 34.95 29.70 3hf9 s ARG 135 CO 0.01 -0.20 0.75 -2.30 -0.81 0.00 0.00 175.30 172.75 3hf9 n PRO 136 N 4.68 0.63 -4.72 5.12 -0.02 -1.26 -4.91 135.00 134.51 3hf9 n PRO 136 Ca 0.04 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 3hf9 n PRO 136 Cb 0.50 -1.40 -0.12 0.00 -0.02 0.00 0.00 33.50 32.46 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -1.23 2.76 -0.02 -0.52 2.02 -0.88 -4.97 118.70 115.87 3hf9 s GLU 137 Ca 0.62 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 55.07 3hf9 s GLU 137 Cb -0.83 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 3hf9 s GLU 137 CO 0.58 0.59 -0.23 -0.51 0.02 0.00 0.00 175.26 175.71 3hf9 s LEU 138 N -0.63 2.04 -0.04 1.80 1.02 -1.23 -0.91 118.68 120.74 3hf9 s LEU 138 Ca 0.09 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.86 3hf9 s LEU 138 Cb -0.11 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 44.91 3hf9 s LEU 138 CO 0.01 0.28 -0.13 -0.31 0.02 0.00 0.00 176.35 176.23 3hf9 s TYR 139 N -0.54 1.32 -0.22 0.29 1.51 -0.54 -2.96 117.35 116.21 3hf9 s TYR 139 Ca 0.09 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3hf9 s TYR 139 Cb -0.09 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 3hf9 s TYR 139 CO -0.01 -0.14 -0.04 0.50 -1.11 0.00 0.00 175.55 174.75 3hf9 s ARG 140 N 0.16 3.38 -0.14 -0.62 3.52 -0.35 -1.51 118.95 123.40 3hf9 s ARG 140 Ca -0.04 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 3hf9 s ARG 140 Cb -0.10 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 3hf9 s ARG 140 CO 0.01 -0.19 -0.02 0.42 -0.81 0.00 0.00 175.30 174.71 3hf9 s ILE 141 N 1.46 4.06 0.41 4.11 1.09 -0.61 -0.71 121.20 131.01 3hf9 s ILE 141 Ca 0.06 -0.31 0.08 0.00 -1.10 0.00 0.00 60.65 59.37 3hf9 s ILE 141 Cb -0.14 -2.76 -0.03 0.00 -1.06 0.00 0.00 42.46 38.47 3hf9 s ILE 141 CO -0.03 0.52 0.32 0.42 -0.10 0.00 0.00 174.94 176.06 3hf9 s THR 142 N 0.04 2.58 0.66 2.92 -4.23 -0.74 -1.37 115.64 115.49 3hf9 s THR 142 Ca 0.01 -1.45 0.17 0.00 -1.18 0.00 0.00 61.69 59.24 3hf9 s THR 142 Cb -0.13 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.89 3hf9 s THR 142 CO 0.02 -0.01 1.49 0.10 -0.54 0.00 0.00 174.62 175.69 3hf9 h TYR 143 N 1.15 0.00 -0.02 3.99 -0.00 -1.82 -0.25 116.97 120.03 3hf9 h TYR 143 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 3hf9 h TYR 143 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3hf9 h TYR 143 CO 0.55 0.00 -0.18 -0.40 -0.00 0.00 0.00 178.16 178.13 3hf9 n ASP 144 N -2.79 1.95 0.00 0.10 5.75 -1.26 -4.58 116.55 115.72 3hf9 n ASP 144 Ca 0.01 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3hf9 n ASP 144 Cb 0.73 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 41.08 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 1.04 0.23 3.74 6.12 0.00 -0.10 -4.03 105.19 112.20 3hf9 n GLY 145 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.13 6.71 -0.12 1.61 0.01 -1.26 -4.70 113.70 113.82 3hf9 s SER 146 Ca 0.00 2.61 0.02 0.00 1.31 0.00 0.00 55.95 59.88 3hf9 s SER 146 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.62 3hf9 s SER 146 CO 0.00 -0.65 -0.16 -0.51 0.41 0.00 0.00 173.24 172.32 3hf9 s ILE 147 N -0.04 1.63 0.18 1.44 2.07 -1.26 -1.79 121.20 123.42 3hf9 s ILE 147 Ca 0.58 -0.71 0.09 0.00 -1.41 0.00 0.00 60.65 59.20 3hf9 s ILE 147 Cb -0.41 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 40.66 3hf9 s ILE 147 CO 0.43 0.47 -0.08 0.00 -1.91 0.00 0.00 174.94 173.84 3hf9 s ALA 148 N 1.08 2.99 -0.37 1.50 0.00 0.12 -4.98 121.76 122.09 3hf9 s ALA 148 Ca -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.49 3hf9 s ALA 148 Cb -0.14 -0.78 0.12 0.00 0.00 0.00 0.00 23.12 22.31 3hf9 s ALA 148 CO -0.04 0.48 0.16 0.16 0.00 0.00 0.00 175.76 176.52 3hf9 s ASP 149 N -2.82 3.83 0.58 0.00 -4.77 -1.26 -1.21 116.67 111.02 3hf9 s ASP 149 Ca 0.25 -2.13 -0.14 0.00 -3.30 0.00 0.00 52.55 47.23 3hf9 s ASP 149 Cb -0.09 -0.94 -0.05 0.00 -1.09 0.00 0.00 42.92 40.75 3hf9 s ASP 149 CO 0.16 -0.34 1.02 -1.61 0.70 0.00 0.00 175.17 175.09 3hf9 s GLU 150 N 1.00 3.63 -0.07 2.11 2.02 -1.16 -4.95 118.70 121.29 3hf9 s GLU 150 Ca 0.14 0.93 0.18 0.00 0.02 0.00 0.00 54.97 56.23 3hf9 s GLU 150 Cb -0.21 -2.09 -0.27 0.00 0.10 0.00 0.00 34.13 31.67 3hf9 s GLU 150 CO -0.11 -0.54 0.30 -0.35 0.02 0.00 0.00 175.26 174.58 3hf9 n PRO 151 N -2.18 0.76 -0.02 0.39 -0.05 -1.26 -3.52 135.00 129.12 3hf9 n PRO 151 Ca 0.07 -0.12 -0.06 0.00 -0.05 0.00 0.00 63.50 63.33 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 -2.30 0.00 -3.98 0.54 8.25 -1.26 -4.83 115.22 111.63 3hf9 n HIS 152 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 3hf9 n HIS 152 Cb 0.67 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.48 3hf9 n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hf9 s PHE 153 N -2.18 0.45 -0.02 4.41 -0.12 -1.26 -1.19 117.98 118.07 3hf9 s PHE 153 Ca -0.10 -0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 55.97 3hf9 s PHE 153 Cb 0.03 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.37 3hf9 s PHE 153 CO 0.13 -0.75 0.05 0.08 -0.05 0.00 0.00 175.22 174.68 3hf9 s VAL 154 N -3.99 -0.02 -0.06 -2.49 1.01 0.11 -4.80 120.40 110.16 3hf9 s VAL 154 Ca 0.20 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.31 3hf9 s VAL 154 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 3hf9 s VAL 154 CO 0.02 0.03 -0.20 -0.69 0.00 0.00 0.00 175.10 174.26 3hf9 s VAL 155 N 0.45 1.71 0.02 2.92 1.01 -1.26 -1.42 120.40 123.83 3hf9 s VAL 155 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3hf9 s VAL 155 Cb -0.05 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3hf9 s VAL 155 CO -0.02 0.48 -0.06 -0.04 0.00 0.00 0.00 175.10 175.47 3hf9 s MET 156 N 0.07 0.41 0.03 2.72 -1.94 -0.29 -4.99 119.30 115.32 3hf9 s MET 156 Ca -0.07 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 3hf9 s MET 156 Cb -0.14 -0.21 0.00 0.00 2.01 0.00 0.00 34.83 36.49 3hf9 s MET 156 CO 0.04 0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.50 3hf9 n GLY 157 N 1.97 -2.69 7.00 -0.03 0.00 -1.26 -0.59 105.19 109.59 3hf9 n GLY 157 Ca -0.20 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.06 1.02 3.49 -0.02 0.00 -0.43 -4.27 105.19 102.93 3hf9 n GLY 158 Ca -0.00 -0.60 -0.43 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 4.78 0.05 2.61 -4.23 -1.26 -4.47 115.64 113.12 3hf9 s THR 159 Ca 0.00 -0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 3hf9 s THR 159 Cb 0.00 -4.29 -0.30 0.00 1.34 0.00 0.00 72.50 69.25 3hf9 s THR 159 CO 0.00 -0.75 1.06 0.71 -0.54 0.00 0.00 174.62 175.10 3hf9 h THR 160 N 5.89 1.39 -0.28 3.99 1.35 -1.95 -3.39 112.91 119.92 3hf9 h THR 160 Ca -0.26 -2.94 0.06 0.00 -0.55 0.00 0.00 66.41 62.73 3hf9 h THR 160 Cb 1.09 2.94 -0.07 0.00 -1.73 0.00 0.00 68.15 70.38 3hf9 h THR 160 CO 0.95 0.86 -0.15 -0.33 -0.25 0.00 0.00 175.52 176.60 3hf9 h GLU 161 N 0.09 -0.12 -0.77 4.72 3.07 -1.96 0.92 114.58 120.53 3hf9 h GLU 161 Ca -0.18 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 58.86 3hf9 h GLU 161 Cb 2.03 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.92 3hf9 h GLU 161 CO 0.21 -0.08 0.53 -1.35 -1.40 0.00 0.00 179.01 176.92 3hf9 h PRO 162 N -0.12 0.28 0.16 2.33 0.11 -1.91 0.10 132.00 132.95 3hf9 h PRO 162 Ca 0.15 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.89 3hf9 h PRO 162 Cb 0.35 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 3hf9 h PRO 162 CO -0.36 0.19 -1.85 0.82 -0.21 0.00 0.00 178.00 176.59 3hf9 h ILE 163 N 0.29 0.80 -0.68 4.15 2.04 -1.51 -2.87 117.51 119.73 3hf9 h ILE 163 Ca 0.38 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 3hf9 h ILE 163 Cb 1.07 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 39.77 3hf9 h ILE 163 CO -0.10 0.87 0.38 0.00 0.00 0.00 0.00 178.15 179.30 3hf9 h ALA 164 N 0.08 0.86 -0.05 1.87 0.00 -0.50 -1.89 119.26 119.64 3hf9 h ALA 164 Ca -0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hf9 h ALA 164 Cb 2.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hf9 h ALA 164 CO 0.13 0.37 0.00 -0.91 0.00 0.00 0.00 179.25 178.84 3hf9 h ASN 165 N 0.92 0.08 -0.90 0.00 2.35 -1.13 -0.52 115.58 116.38 3hf9 h ASN 165 Ca 0.24 -0.28 0.22 0.00 -0.55 0.00 0.00 56.30 55.92 3hf9 h ASN 165 Cb 0.02 -0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 3hf9 h ASN 165 CO -0.04 0.34 0.41 0.00 -1.65 0.00 0.00 177.43 176.50 3hf9 h ALA 166 N 0.74 1.45 0.00 -0.83 0.00 -1.37 -2.37 119.26 116.88 3hf9 h ALA 166 Ca 0.01 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 166 Cb 0.30 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hf9 h ALA 166 CO 0.00 -0.31 -0.36 -0.07 0.00 0.00 0.00 179.25 178.51 3hf9 h LEU 167 N 0.43 0.31 -0.97 0.00 3.38 -1.26 -2.37 115.31 114.84 3hf9 h LEU 167 Ca 0.56 -0.79 0.28 0.00 0.09 0.00 0.00 57.88 58.02 3hf9 h LEU 167 Cb 1.04 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.52 3hf9 h LEU 167 CO -0.51 1.05 0.05 0.29 0.09 0.00 0.00 178.44 179.42 3hf9 n LYS 168 N -4.42 -0.08 0.04 1.13 5.02 -0.21 0.06 118.16 119.70 3hf9 n LYS 168 Ca -0.10 1.44 -0.21 0.00 -2.02 0.00 0.00 58.31 57.42 3hf9 n LYS 168 Cb 0.56 -2.31 -0.14 0.00 -0.02 0.00 0.00 35.03 33.11 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 0.31 -0.28 1.97 4.11 -1.58 -3.35 114.58 115.76 3hf9 h GLU 169 Ca 0.60 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3hf9 h GLU 169 Cb 1.27 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3hf9 h GLU 169 CO -0.90 1.21 0.00 -1.13 0.07 0.00 0.00 179.01 178.26 3hf9 n SER 170 N -3.50 1.75 -4.65 3.06 3.41 -0.79 -4.90 113.62 108.00 3hf9 n SER 170 Ca -0.27 -1.89 -0.37 0.00 -0.26 0.00 0.00 58.87 56.09 3hf9 n SER 170 Cb 1.06 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.64 3.31 -0.10 7.33 5.04 0.11 -4.94 117.35 126.47 3hf9 s TYR 171 Ca 0.26 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 3hf9 s TYR 171 Cb 0.14 -2.32 0.01 0.00 0.35 0.00 0.00 41.96 40.14 3hf9 s TYR 171 CO 0.19 0.03 -0.15 0.00 -1.34 0.00 0.00 175.55 174.29 3hf9 s ALA 172 N 1.17 1.59 0.59 3.97 0.00 -1.26 -4.99 121.76 122.82 3hf9 s ALA 172 Ca 0.09 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 3hf9 s ALA 172 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3hf9 s ALA 172 CO 0.06 -0.02 1.09 -1.83 0.00 0.00 0.00 175.76 175.06 3hf9 s GLU 173 N 0.89 3.22 -0.58 0.00 -1.05 -1.26 -3.63 118.70 116.30 3hf9 s GLU 173 Ca -0.09 1.39 0.00 0.00 -0.15 0.00 0.00 54.97 56.12 3hf9 s GLU 173 Cb -0.15 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 3hf9 s GLU 173 CO 0.00 -0.91 0.00 0.09 0.95 0.00 0.00 175.26 175.39 3hf9 n ASN 174 N -1.82 -3.30 -4.77 0.83 4.13 -1.26 -4.94 115.26 104.13 3hf9 n ASN 174 Ca 0.10 0.10 -0.36 0.00 1.68 0.00 0.00 54.58 56.10 3hf9 n ASN 174 Cb 0.52 -1.71 -0.00 0.00 -1.54 0.00 0.00 39.78 37.05 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 -2.24 2.86 0.49 5.41 0.00 -1.24 -4.24 121.76 122.81 3hf9 s ALA 175 Ca 0.00 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 3hf9 s ALA 175 Cb 0.00 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 3hf9 s ALA 175 CO 0.00 -0.76 1.29 -1.54 0.00 0.00 0.00 175.76 174.75 3hf9 s SER 176 N -1.46 5.73 0.17 0.00 1.04 -1.26 -2.73 113.70 115.20 3hf9 s SER 176 Ca 0.67 2.60 -0.27 0.00 0.48 0.00 0.00 55.95 59.43 3hf9 s SER 176 Cb -0.28 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.22 3hf9 s SER 176 CO 0.33 -1.24 1.55 0.25 0.98 0.00 0.00 173.24 175.11 3hf9 h LEU 177 N 1.85 -1.86 -2.28 2.42 5.85 -1.98 0.56 115.31 119.87 3hf9 h LEU 177 Ca -0.50 0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3hf9 h LEU 177 Cb 1.27 0.85 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 3hf9 h LEU 177 CO 0.59 -0.28 0.07 0.00 -0.34 0.00 0.00 178.44 178.48 3hf9 h THR 178 N -0.08 0.63 0.38 1.05 1.03 -1.89 -0.56 112.91 113.46 3hf9 h THR 178 Ca 0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.58 3hf9 h THR 178 Cb 0.50 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 3hf9 h THR 178 CO -0.87 0.00 -0.18 0.44 -0.01 0.00 0.00 175.52 174.90 3hf9 h ASP 179 N 0.00 -0.43 -0.79 0.00 5.19 -0.27 -3.03 116.42 117.09 3hf9 h ASP 179 Ca 0.03 -0.07 0.14 0.00 -0.62 0.00 0.00 57.03 56.51 3hf9 h ASP 179 Cb 0.17 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.74 3hf9 h ASP 179 CO -0.00 0.01 0.52 0.00 -3.12 0.00 0.00 179.24 176.65 3hf9 h ALA 180 N -0.92 1.97 -0.55 3.45 0.00 -0.72 -1.28 119.26 121.21 3hf9 h ALA 180 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hf9 h ALA 180 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hf9 h ALA 180 CO 0.09 -0.17 0.32 1.25 0.00 0.00 0.00 179.25 180.73 3hf9 h LEU 181 N 0.54 0.68 0.09 0.00 5.85 -1.18 -1.60 115.31 119.69 3hf9 h LEU 181 Ca 0.38 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3hf9 h LEU 181 Cb 0.73 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3hf9 h LEU 181 CO -0.14 0.56 -0.04 0.03 -0.34 0.00 0.00 178.44 178.50 3hf9 h ARG 182 N 0.75 -0.12 -0.92 1.25 3.08 -1.13 -1.82 114.38 115.48 3hf9 h ARG 182 Ca 0.20 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.47 3hf9 h ARG 182 Cb 0.02 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 29.97 3hf9 h ARG 182 CO -0.03 0.15 0.45 0.82 -1.07 0.00 0.00 179.97 180.28 3hf9 h ILE 183 N -0.38 0.51 0.25 2.04 2.04 -1.36 0.25 117.51 120.86 3hf9 h ILE 183 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3hf9 h ILE 183 Cb 0.32 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3hf9 h ILE 183 CO 0.02 0.09 -0.12 0.00 0.00 0.00 0.00 178.15 178.14 3hf9 h ALA 184 N 1.70 -0.33 -0.52 1.87 0.00 -1.19 -1.10 119.26 119.69 3hf9 h ALA 184 Ca 0.57 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.31 3hf9 h ALA 184 Cb 1.06 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3hf9 h ALA 184 CO -0.50 -0.46 0.35 0.28 0.00 0.00 0.00 179.25 178.92 3hf9 h VAL 185 N -0.79 1.06 0.88 0.00 2.07 -0.76 -0.26 116.25 118.44 3hf9 h VAL 185 Ca -0.03 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3hf9 h VAL 185 Cb 0.51 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hf9 h VAL 185 CO 0.06 0.11 -0.42 0.00 0.02 0.00 0.00 177.57 177.33 3hf9 h ALA 186 N 1.70 -1.27 -0.63 1.67 0.00 -0.52 -2.50 119.26 117.71 3hf9 h ALA 186 Ca 0.21 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 186 Cb 0.10 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3hf9 h ALA 186 CO -0.05 -1.19 0.46 0.00 0.00 0.00 0.00 179.25 178.47 3hf9 h ALA 187 N -1.42 2.57 -0.02 0.00 0.00 -0.51 0.24 119.26 120.13 3hf9 h ALA 187 Ca -0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3hf9 h ALA 187 Cb 0.90 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 187 CO 0.20 -0.79 -0.54 -0.07 0.00 0.00 0.00 179.25 178.05 3hf9 h LEU 188 N 0.00 0.06 -0.69 0.00 3.38 -0.94 -3.27 115.31 113.86 3hf9 h LEU 188 Ca 0.30 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.34 3hf9 h LEU 188 Cb 1.22 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 3hf9 h LEU 188 CO -0.00 0.59 0.29 0.03 0.09 0.00 0.00 178.44 179.44 3hf9 h ARG 189 N 0.05 0.47 0.00 1.13 3.08 -0.05 -3.49 114.38 115.57 3hf9 h ARG 189 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 189 Cb 0.97 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3hf9 h ARG 189 CO 0.07 0.31 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 3hf9 n ALA 190 N -2.46 0.33 0.00 0.04 0.00 -1.23 -5.13 120.51 112.06 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 0.32 -0.22 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 -0.13 0.00 -0.04 0.00 0.24 -1.26 -4.65 118.33 112.48 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 -0.43 2.21 -0.95 2.33 0.00 -1.26 -4.38 120.51 118.03 3hf9 n ALA 206 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 53.44 52.51 3hf9 n ALA 206 Cb 0.00 -0.34 0.34 0.00 0.00 0.00 0.00 19.45 19.46 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 0.34 4.91 -4.31 0.00 7.64 -1.26 -4.86 113.62 116.09 3hf9 n SER 207 Ca 0.08 -2.97 -0.31 0.00 1.01 0.00 0.00 58.87 56.69 3hf9 n SER 207 Cb 0.36 -0.62 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 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 -2.79 2.06 -0.24 -3.43 1.43 -1.24 -1.50 118.68 112.98 3hf9 s LEU 208 Ca 0.49 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 3hf9 s LEU 208 Cb 0.38 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.29 3hf9 s LEU 208 CO 0.13 0.31 -0.03 -0.70 0.23 0.00 0.00 176.35 176.29 3hf9 s GLU 209 N -0.68 3.21 0.00 1.70 2.12 0.29 -4.76 118.70 120.58 3hf9 s GLU 209 Ca 0.10 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 54.75 3hf9 s GLU 209 Cb -0.10 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 3hf9 s GLU 209 CO -0.01 -0.28 -0.18 0.08 -0.54 0.00 0.00 175.26 174.34 3hf9 s VAL 210 N 1.45 1.41 0.08 3.70 1.01 -1.26 -1.34 120.40 125.45 3hf9 s VAL 210 Ca 0.04 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 3hf9 s VAL 210 Cb -0.15 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.09 3hf9 s VAL 210 CO -0.03 0.31 0.56 0.00 0.00 0.00 0.00 175.10 175.94 3hf9 s ALA 211 N -0.54 -1.45 0.05 5.51 0.00 -0.69 -2.91 121.76 121.73 3hf9 s ALA 211 Ca 0.06 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3hf9 s ALA 211 Cb -0.07 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 3hf9 s ALA 211 CO 0.00 -0.60 -0.05 0.14 0.00 0.00 0.00 175.76 175.26 3hf9 s VAL 212 N -2.88 0.35 -0.40 0.00 -7.23 0.14 -0.71 120.40 109.68 3hf9 s VAL 212 Ca -0.03 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 3hf9 s VAL 212 Cb -0.00 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.89 3hf9 s VAL 212 CO -0.05 -0.73 0.26 -0.22 -0.31 0.00 0.00 175.10 174.05 3hf9 s LEU 213 N -2.33 4.97 -0.43 1.32 2.96 0.10 -0.82 118.68 124.45 3hf9 s LEU 213 Ca -0.01 -0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 52.74 3hf9 s LEU 213 Cb -0.00 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.60 3hf9 s LEU 213 CO -0.05 -0.43 0.63 -0.62 -1.32 0.00 0.00 176.35 174.56 3hf9 s ASP 214 N 1.65 6.32 0.09 3.68 -1.08 0.14 -2.90 116.67 124.56 3hf9 s ASP 214 Ca 0.04 -0.34 0.21 0.00 -0.52 0.00 0.00 52.55 51.94 3hf9 s ASP 214 Cb -0.19 -2.31 0.86 0.00 -1.46 0.00 0.00 42.92 39.82 3hf9 s ASP 214 CO 0.08 -0.75 1.66 0.00 0.52 0.00 0.00 175.17 176.68 3hf9 n ALA 215 N 6.20 1.87 1.36 3.66 0.00 -1.17 -2.48 120.51 129.94 3hf9 n ALA 215 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.53 3hf9 n ALA 215 Cb 0.48 -1.35 0.42 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.79 1.57 -4.77 0.00 5.15 -1.26 -4.54 115.26 109.63 3hf9 n ASN 216 Ca 0.04 -1.40 -0.39 0.00 -0.60 0.00 0.00 54.58 52.23 3hf9 n ASN 216 Cb 0.25 0.06 -0.06 0.00 -0.53 0.00 0.00 39.78 39.49 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 -2.15 4.71 0.14 1.20 1.81 -1.04 -5.00 118.95 118.61 3hf9 s ARG 217 Ca 0.32 1.37 -0.15 0.00 -1.72 0.00 0.00 55.73 55.55 3hf9 s ARG 217 Cb 0.20 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.62 3hf9 s ARG 217 CO 0.39 0.43 1.68 -1.00 -0.68 0.00 0.00 175.30 176.12 3hf9 h PRO 218 N 3.77 0.62 0.00 3.54 0.13 -1.89 -3.42 132.00 134.76 3hf9 h PRO 218 Ca -0.46 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3hf9 h PRO 218 Cb 1.20 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hf9 h PRO 218 CO 0.67 0.58 0.00 -2.13 -0.23 0.00 0.00 178.00 176.89 3hf9 n ARG 219 N -4.63 0.00 -2.81 0.86 0.63 -1.26 -4.53 116.66 104.92 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 0.15 -0.13 -0.04 0.00 0.45 0.00 0.00 32.46 32.89 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 -1.47 3.94 0.09 -0.14 0.52 -1.26 -4.37 118.95 116.26 3hf9 s ARG 220 Ca 0.00 0.72 0.04 0.00 -0.52 0.00 0.00 55.73 55.96 3hf9 s ARG 220 Cb 0.00 -3.76 -0.23 0.00 0.52 0.00 0.00 34.95 31.48 3hf9 s ARG 220 CO 0.00 -0.84 1.18 0.00 0.02 0.00 0.00 175.30 175.66 3hf9 h ALA 221 N 8.24 0.30 -2.84 2.13 0.00 -0.62 -3.46 119.26 123.03 3hf9 h ALA 221 Ca -0.23 -0.95 -0.53 0.00 0.00 0.00 0.00 54.91 53.20 3hf9 h ALA 221 Cb 1.08 -0.05 0.09 0.00 0.00 0.00 0.00 17.79 18.91 3hf9 h ALA 221 CO 0.96 1.19 0.85 0.12 0.00 0.00 0.00 179.25 182.37 3hf9 s PHE 222 N -2.68 2.73 0.02 0.00 5.36 -1.26 0.26 117.98 122.41 3hf9 s PHE 222 Ca -0.01 0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 56.75 3hf9 s PHE 222 Cb 0.09 -4.04 0.01 0.00 -0.34 0.00 0.00 43.02 38.75 3hf9 s PHE 222 CO 0.84 -3.35 0.25 0.50 -1.46 0.00 0.00 175.22 172.00 3hf9 s ARG 223 N -0.94 0.68 0.11 10.12 3.52 -0.00 -4.88 118.95 127.56 3hf9 s ARG 223 Ca 0.60 -0.42 0.07 0.00 -0.13 0.00 0.00 55.73 55.85 3hf9 s ARG 223 Cb -0.47 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 3hf9 s ARG 223 CO 0.52 -0.20 -0.19 1.03 -0.81 0.00 0.00 175.30 175.65 3hf9 s ARG 224 N -1.99 1.07 -0.35 5.12 0.52 -1.26 -0.68 118.95 121.39 3hf9 s ARG 224 Ca -0.09 -1.16 -0.08 0.00 -0.52 0.00 0.00 55.73 53.88 3hf9 s ARG 224 Cb -0.03 -1.22 0.03 0.00 0.52 0.00 0.00 34.95 34.24 3hf9 s ARG 224 CO -0.00 0.27 0.14 0.42 0.02 0.00 0.00 175.30 176.15 3hf9 s ILE 225 N -1.39 4.08 0.25 1.52 1.01 -1.15 -4.98 121.20 120.53 3hf9 s ILE 225 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 3hf9 s ILE 225 Cb -0.09 -3.27 0.17 0.00 0.01 0.00 0.00 42.46 39.28 3hf9 s ILE 225 CO 0.04 -0.16 1.82 0.74 0.00 0.00 0.00 174.94 177.38 3hf9 h THR 226 N 6.03 1.24 0.00 2.92 2.02 -1.95 -3.42 112.91 119.75 3hf9 h THR 226 Ca -0.25 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3hf9 h THR 226 Cb 1.09 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3hf9 h THR 226 CO 0.62 0.31 0.00 0.61 0.37 0.00 0.00 175.52 177.43 3hf9 n GLY 227 N -0.94 -0.09 0.34 2.16 0.00 -1.26 -4.91 105.19 100.49 3hf9 n GLY 227 Ca 0.06 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hf9 h SER 228 N 0.00 1.03 -0.81 1.61 0.02 -1.99 0.39 113.55 113.80 3hf9 h SER 228 Ca 0.00 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3hf9 h SER 228 Cb 0.00 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3hf9 h SER 228 CO 0.00 0.80 0.36 0.00 -1.14 0.00 0.00 176.83 176.85 3hf9 h ALA 229 N 1.27 1.05 -0.62 3.77 0.00 -1.93 -0.45 119.26 122.36 3hf9 h ALA 229 Ca 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hf9 h ALA 229 Cb -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3hf9 h ALA 229 CO -0.06 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.31 3hf9 h LEU 230 N 1.17 0.89 -0.85 0.00 5.85 -1.56 -1.80 115.31 119.01 3hf9 h LEU 230 Ca 0.28 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3hf9 h LEU 230 Cb 0.17 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hf9 h LEU 230 CO -0.03 0.84 0.30 -0.61 -0.34 0.00 0.00 178.44 178.61 3hf9 h GLN 231 N 0.89 1.15 -0.64 1.25 5.75 -0.49 0.69 115.11 123.70 3hf9 h GLN 231 Ca 0.20 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3hf9 h GLN 231 Cb 0.25 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 3hf9 h GLN 231 CO -0.01 0.93 0.34 0.00 -2.65 0.00 0.00 178.83 177.44 3hf9 h ALA 232 N 1.21 0.83 -0.22 3.38 0.00 -0.60 -1.55 119.26 122.31 3hf9 h ALA 232 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 232 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hf9 h ALA 232 CO -0.02 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.87 3hf9 n LEU 233 N -4.52 1.95 -0.58 0.00 4.77 -0.72 -5.10 117.00 112.80 3hf9 n LEU 233 Ca 0.05 -0.84 0.07 0.00 -0.03 0.00 0.00 56.01 55.26 3hf9 n LEU 233 Cb 0.10 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3hf9 n LEU 233 CO 0.38 0.42 0.48 -0.11 -1.33 0.00 0.00 177.39 177.22