#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s ILE 3 N 0.00 2.98 0.01 12.58 -1.09 -0.21 -2.77 121.20 132.71 3hf9 s ILE 3 Ca 0.00 -1.25 0.02 0.00 -2.23 0.00 0.00 60.65 57.19 3hf9 s ILE 3 Cb 0.00 -2.31 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 3hf9 s ILE 3 CO 0.00 0.24 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.19 3hf9 s VAL 4 N -1.04 0.50 -0.06 2.92 1.01 -0.36 -1.22 120.40 122.14 3hf9 s VAL 4 Ca 0.17 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 3hf9 s VAL 4 Cb -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.81 3hf9 s VAL 4 CO 0.08 -0.07 0.20 0.00 0.00 0.00 0.00 175.10 175.31 3hf9 s ALA 5 N -0.63 -0.49 0.01 5.51 0.00 -0.36 -1.41 121.76 124.40 3hf9 s ALA 5 Ca -0.02 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 3hf9 s ALA 5 Cb -0.05 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3hf9 s ALA 5 CO 0.00 -0.12 0.21 -0.48 0.00 0.00 0.00 175.76 175.37 3hf9 s LEU 6 N -0.21 1.28 0.01 0.00 0.05 0.07 -1.74 118.68 118.14 3hf9 s LEU 6 Ca -0.03 -0.19 -0.18 0.00 0.05 0.00 0.00 54.13 53.77 3hf9 s LEU 6 Cb -0.03 0.96 -0.06 0.00 -2.05 0.00 0.00 46.19 45.02 3hf9 s LEU 6 CO 0.01 -0.47 0.53 -0.54 -0.55 0.00 0.00 176.35 175.32 3hf9 s LYS 7 N -1.86 4.18 0.39 1.48 1.02 0.58 -1.37 119.74 124.17 3hf9 s LYS 7 Ca -0.10 0.63 0.05 0.00 0.02 0.00 0.00 55.97 56.56 3hf9 s LYS 7 Cb -0.04 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.92 3hf9 s LYS 7 CO 0.00 0.52 0.03 1.52 -0.92 0.00 0.00 175.35 176.50 3hf9 s TYR 8 N -0.64 2.21 -0.29 3.18 -0.85 -0.43 -4.93 117.35 115.59 3hf9 s TYR 8 Ca 0.28 -0.84 -0.29 0.00 -0.52 0.00 0.00 57.07 55.70 3hf9 s TYR 8 Cb -0.18 -1.55 -0.02 0.00 0.38 0.00 0.00 41.96 40.59 3hf9 s TYR 8 CO 0.16 0.23 1.78 -2.14 -1.52 0.00 0.00 175.55 174.06 3hf9 s PRO 9 N -3.79 3.44 0.00 -3.49 0.02 -1.26 -1.86 135.00 128.05 3hf9 s PRO 9 Ca 0.31 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3hf9 s PRO 9 Cb 0.08 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.43 3hf9 s PRO 9 CO 0.15 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.50 3hf9 n GLY 10 N 5.27 0.56 0.00 0.52 0.00 1.00 -4.72 105.19 107.82 3hf9 n GLY 10 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3hf9 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 11 N -1.44 0.92 3.20 -0.02 0.00 -0.78 -3.98 105.19 103.08 3hf9 n GLY 11 Ca 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 3hf9 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 12 N -2.30 1.09 -0.00 1.61 -7.23 -0.63 -1.31 120.40 111.62 3hf9 s VAL 12 Ca 0.00 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 3hf9 s VAL 12 Cb 0.00 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 3hf9 s VAL 12 CO 0.00 -0.51 -0.20 0.54 -0.31 0.00 0.00 175.10 174.62 3hf9 s VAL 13 N -2.36 1.59 -0.02 1.32 0.11 -0.47 -0.49 120.40 120.08 3hf9 s VAL 13 Ca 0.07 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 3hf9 s VAL 13 Cb -0.03 -1.33 -0.00 0.00 -1.53 0.00 0.00 36.38 33.48 3hf9 s VAL 13 CO 0.01 0.40 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.78 3hf9 s MET 14 N -0.61 0.76 -0.02 1.54 1.75 -0.44 -0.75 119.30 121.54 3hf9 s MET 14 Ca 0.08 -0.27 -0.06 0.00 -1.25 0.00 0.00 55.69 54.19 3hf9 s MET 14 Cb -0.08 -0.73 0.00 0.00 2.84 0.00 0.00 34.83 36.87 3hf9 s MET 14 CO -0.00 0.13 0.13 0.00 -0.65 0.00 0.00 175.02 174.62 3hf9 s ALA 15 N 0.05 -0.31 -0.07 4.11 0.00 -0.50 -0.62 121.76 124.42 3hf9 s ALA 15 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 3hf9 s ALA 15 Cb -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3hf9 s ALA 15 CO -0.00 -0.15 0.27 0.20 0.00 0.00 0.00 175.76 176.07 3hf9 s GLY 16 N -0.83 -0.16 1.24 0.00 0.00 -0.51 -1.23 107.32 105.83 3hf9 s GLY 16 Ca -0.09 0.56 -0.19 0.00 0.00 0.00 0.00 44.72 45.00 3hf9 s GLY 16 CO 0.01 0.43 1.05 0.51 0.00 0.00 0.00 173.10 175.10 3hf9 s ASP 17 N -0.38 0.57 0.00 1.64 3.84 -1.11 -1.95 116.67 119.28 3hf9 s ASP 17 Ca -0.05 0.84 0.06 0.00 -0.00 0.00 0.00 52.55 53.40 3hf9 s ASP 17 Cb -0.03 -1.21 0.05 0.00 -1.38 0.00 0.00 42.92 40.34 3hf9 s ASP 17 CO 0.01 -4.36 0.69 0.54 -0.00 0.00 0.00 175.17 172.06 3hf9 n ARG 18 N -4.95 -0.05 -2.14 2.11 5.12 -1.26 -4.57 116.66 110.93 3hf9 n ARG 18 Ca 0.11 -0.87 -0.30 0.00 -1.93 0.00 0.00 57.85 54.87 3hf9 n ARG 18 Cb 0.59 -1.12 0.01 0.00 -1.16 0.00 0.00 32.46 30.78 3hf9 n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hf9 s ARG 19 N -0.54 3.55 -0.21 5.56 6.06 -1.26 -1.62 118.95 130.49 3hf9 s ARG 19 Ca 0.07 0.54 -0.17 0.00 -2.50 0.00 0.00 55.73 53.67 3hf9 s ARG 19 Cb 0.05 -2.18 0.06 0.00 0.06 0.00 0.00 34.95 32.94 3hf9 s ARG 19 CO 0.08 -0.46 0.54 -1.54 -2.50 0.00 0.00 175.30 171.42 3hf9 s SER 20 N -4.16 -0.60 0.21 -2.12 1.04 -0.96 -4.85 113.70 102.26 3hf9 s SER 20 Ca 0.52 1.11 0.11 0.00 0.48 0.00 0.00 55.95 58.18 3hf9 s SER 20 Cb -0.11 1.09 -0.05 0.00 0.10 0.00 0.00 66.02 67.06 3hf9 s SER 20 CO 0.51 -0.19 -0.23 0.42 0.98 0.00 0.00 173.24 174.73 3hf9 s THR 21 N 0.56 2.34 -0.60 2.02 -4.23 -1.26 -0.70 115.64 113.77 3hf9 s THR 21 Ca -0.02 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 3hf9 s THR 21 Cb -0.04 -2.14 0.15 0.00 1.34 0.00 0.00 72.50 71.80 3hf9 s THR 21 CO -0.03 -0.19 0.36 -1.58 -0.54 0.00 0.00 174.62 172.64 3hf9 s GLN 22 N -2.85 2.22 7.89 3.99 0.74 -0.30 -4.83 119.66 126.51 3hf9 s GLN 22 Ca 0.22 -2.86 0.00 0.00 0.05 0.00 0.00 55.36 52.77 3hf9 s GLN 22 Cb -0.07 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3hf9 s GLN 22 CO 0.11 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3hf9 n GLY 23 N 2.77 2.22 0.09 2.59 0.00 -1.26 -2.81 105.19 108.79 3hf9 n GLY 23 Ca 0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 3hf9 n GLY 23 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hf9 h ASN 24 N 0.00 0.00 -3.73 1.61 2.35 -2.02 -3.47 115.58 110.32 3hf9 h ASN 24 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3hf9 h ASN 24 Cb 0.00 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.41 3hf9 h ASN 24 CO 0.00 0.70 0.60 -0.04 -1.65 0.00 0.00 177.43 177.05 3hf9 s MET 25 N -2.83 4.44 -0.25 0.81 -1.94 -1.12 -4.98 119.30 113.43 3hf9 s MET 25 Ca -0.03 2.07 -0.25 0.00 -1.71 0.00 0.00 55.69 55.77 3hf9 s MET 25 Cb 0.08 -3.13 -0.00 0.00 2.01 0.00 0.00 34.83 33.79 3hf9 s MET 25 CO 0.81 -0.10 0.85 0.42 -0.01 0.00 0.00 175.02 176.98 3hf9 s ILE 26 N -0.81 4.81 -1.37 2.53 1.01 -1.26 -1.15 121.20 124.97 3hf9 s ILE 26 Ca 0.50 1.58 0.13 0.00 0.00 0.00 0.00 60.65 62.86 3hf9 s ILE 26 Cb -0.37 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 37.99 3hf9 s ILE 26 CO 0.46 -0.10 0.81 -1.54 0.00 0.00 0.00 174.94 174.56 3hf9 n SER 27 N 6.06 1.65 -3.61 3.58 3.41 0.12 -4.91 113.62 119.92 3hf9 n SER 27 Ca 0.06 -1.33 -0.12 0.00 -0.26 0.00 0.00 58.87 57.22 3hf9 n SER 27 Cb 0.47 0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 3hf9 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hf9 s GLY 28 N -1.49 -0.35 0.00 5.00 0.00 -0.94 -4.93 107.32 104.61 3hf9 s GLY 28 Ca 0.13 2.20 0.00 0.00 0.00 0.00 0.00 44.72 47.05 3hf9 s GLY 28 CO 0.28 1.58 0.26 0.54 0.00 0.00 0.00 173.10 175.76 3hf9 n ARG 29 N 1.99 1.33 0.00 2.90 1.74 -1.26 -2.25 116.66 121.11 3hf9 n ARG 29 Ca -0.13 -0.26 0.01 0.00 -0.77 0.00 0.00 57.85 56.70 3hf9 n ARG 29 Cb 0.56 -0.72 -0.00 0.00 -1.02 0.00 0.00 32.46 31.28 3hf9 n ARG 29 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hf9 n ASP 30 N -0.26 0.55 -4.68 0.55 5.68 -1.15 -4.62 116.55 112.62 3hf9 n ASP 30 Ca 0.00 -0.77 -0.46 0.00 -0.50 0.00 0.00 54.79 53.06 3hf9 n ASP 30 Cb 0.04 0.61 -0.04 0.00 -1.14 0.00 0.00 41.12 40.59 3hf9 n ASP 30 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hf9 n VAL 31 N -0.59 0.51 -3.13 2.12 0.31 -0.64 -4.98 118.33 111.93 3hf9 n VAL 31 Ca 0.01 -0.09 -0.40 0.00 -0.01 0.00 0.00 64.34 63.85 3hf9 n VAL 31 Cb 0.05 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 30.95 3hf9 n VAL 31 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hf9 s ARG 32 N 3.51 4.17 -0.01 5.55 0.52 -1.26 -4.31 118.95 127.13 3hf9 s ARG 32 Ca 0.88 0.57 0.08 0.00 -0.52 0.00 0.00 55.73 56.74 3hf9 s ARG 32 Cb -0.60 -3.60 -0.11 0.00 0.52 0.00 0.00 34.95 31.16 3hf9 s ARG 32 CO 0.45 -0.29 0.25 1.63 0.02 0.00 0.00 175.30 177.36 3hf9 n LYS 33 N 5.26 2.14 -4.16 3.54 5.02 -1.26 -4.72 118.16 123.97 3hf9 n LYS 33 Ca -0.01 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.89 3hf9 n LYS 33 Cb 0.49 -1.05 -0.13 0.00 -0.02 0.00 0.00 35.03 34.33 3hf9 n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hf9 s VAL 34 N -2.19 3.84 0.06 -0.18 1.01 -1.26 -2.66 120.40 119.01 3hf9 s VAL 34 Ca -0.00 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3hf9 s VAL 34 Cb 0.06 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3hf9 s VAL 34 CO 0.33 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.44 3hf9 s TYR 35 N 0.88 1.14 -0.06 5.22 1.51 -0.55 -4.97 117.35 120.51 3hf9 s TYR 35 Ca 0.00 -0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 55.37 3hf9 s TYR 35 Cb -0.14 -0.66 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 3hf9 s TYR 35 CO 0.02 0.03 0.87 0.42 -1.11 0.00 0.00 175.55 175.78 3hf9 s ILE 36 N -1.11 4.92 -0.12 2.71 1.01 -1.26 -1.31 121.20 126.03 3hf9 s ILE 36 Ca -0.02 1.78 0.19 0.00 0.00 0.00 0.00 60.65 62.61 3hf9 s ILE 36 Cb -0.09 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 37.93 3hf9 s ILE 36 CO 0.02 0.15 0.41 0.35 0.00 0.00 0.00 174.94 175.86 3hf9 n THR 37 N 4.09 0.85 -3.68 2.92 -2.24 -0.11 -4.94 114.28 111.15 3hf9 n THR 37 Ca 0.04 -0.69 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 3hf9 n THR 37 Cb 0.50 -0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3hf9 n THR 37 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 38 N -2.61 -1.68 -0.34 3.42 5.75 -1.09 -4.44 116.55 115.56 3hf9 n ASP 38 Ca -0.17 -2.09 -0.00 0.00 -0.01 0.00 0.00 54.79 52.52 3hf9 n ASP 38 Cb 0.87 2.78 0.16 0.00 -1.03 0.00 0.00 41.12 43.89 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hf9 h ASP 39 N 1.57 1.07 -0.38 -1.12 5.19 -1.96 -3.17 116.42 117.61 3hf9 h ASP 39 Ca -0.25 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3hf9 h ASP 39 Cb 0.97 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.22 3hf9 h ASP 39 CO 0.32 0.75 0.00 -1.22 -3.12 0.00 0.00 179.24 175.97 3hf9 n TYR 40 N -4.41 0.59 -4.00 4.55 4.02 -1.26 -0.15 117.16 116.50 3hf9 n TYR 40 Ca 0.12 -0.54 -0.08 0.00 -0.01 0.00 0.00 57.90 57.38 3hf9 n TYR 40 Cb 0.05 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.21 3hf9 n TYR 40 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hf9 s THR 41 N -1.23 0.16 -0.02 -0.72 -4.23 -1.20 -0.44 115.64 107.96 3hf9 s THR 41 Ca 0.28 -1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 3hf9 s THR 41 Cb 0.16 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 73.12 3hf9 s THR 41 CO 0.17 -0.71 0.26 0.00 -0.54 0.00 0.00 174.62 173.80 3hf9 s ALA 42 N -2.68 -0.65 0.01 3.99 0.00 -0.06 -0.94 121.76 121.44 3hf9 s ALA 42 Ca -0.05 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.24 3hf9 s ALA 42 Cb -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hf9 s ALA 42 CO -0.05 -0.23 -0.24 0.95 0.00 0.00 0.00 175.76 176.19 3hf9 s THR 43 N -1.18 1.90 -0.00 0.00 -4.23 -0.43 -1.28 115.64 110.42 3hf9 s THR 43 Ca -0.12 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3hf9 s THR 43 Cb -0.06 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 3hf9 s THR 43 CO 0.03 0.41 -0.26 -0.83 -0.54 0.00 0.00 174.62 173.43 3hf9 s GLY 44 N -0.89 1.29 -0.06 3.99 0.00 -0.43 -1.48 107.32 109.74 3hf9 s GLY 44 Ca 0.10 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.71 3hf9 s GLY 44 CO 0.01 -0.98 -0.19 -0.42 0.00 0.00 0.00 173.10 171.52 3hf9 s ILE 45 N -0.66 1.57 -1.31 0.90 1.09 -1.09 -0.97 121.20 120.73 3hf9 s ILE 45 Ca 0.10 -0.78 -0.08 0.00 -1.10 0.00 0.00 60.65 58.79 3hf9 s ILE 45 Cb -0.10 -1.35 0.14 0.00 -1.06 0.00 0.00 42.46 40.09 3hf9 s ILE 45 CO -0.00 0.45 2.08 0.00 -0.10 0.00 0.00 174.94 177.36 3hf9 n ALA 46 N 3.25 5.87 -3.00 9.38 0.00 -1.26 -4.83 120.51 129.91 3hf9 n ALA 46 Ca -0.19 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.05 3hf9 n ALA 46 Cb 0.53 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 17.01 3hf9 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 47 N 2.58 5.29 3.67 0.00 0.00 -1.26 -4.93 105.19 110.54 3hf9 n GLY 47 Ca 0.48 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3hf9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 48 N -0.61 2.27 0.22 2.61 -4.23 -1.26 -4.81 115.64 109.84 3hf9 s THR 48 Ca 0.00 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 3hf9 s THR 48 Cb 0.00 -2.21 0.17 0.00 1.34 0.00 0.00 72.50 71.81 3hf9 s THR 48 CO 0.00 -0.12 1.76 0.00 -0.54 0.00 0.00 174.62 175.72 3hf9 h ALA 49 N -1.85 0.93 -0.06 3.99 0.00 -1.96 -2.59 119.26 117.72 3hf9 h ALA 49 Ca -0.46 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3hf9 h ALA 49 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hf9 h ALA 49 CO 0.45 -0.12 0.01 0.00 0.00 0.00 0.00 179.25 179.58 3hf9 h ALA 50 N 1.44 0.08 -0.78 0.00 0.00 -1.93 -2.73 119.26 115.35 3hf9 h ALA 50 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3hf9 h ALA 50 Cb 0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 50 CO -0.30 -0.29 0.49 0.28 0.00 0.00 0.00 179.25 179.43 3hf9 h VAL 51 N -0.14 1.08 -0.64 0.00 2.07 -1.88 0.30 116.25 117.04 3hf9 h VAL 51 Ca 0.02 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3hf9 h VAL 51 Cb 0.26 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3hf9 h VAL 51 CO 0.00 0.17 0.27 0.00 0.02 0.00 0.00 177.57 178.03 3hf9 h ALA 52 N 1.34 0.83 0.18 1.67 0.00 -1.29 -1.99 119.26 120.00 3hf9 h ALA 52 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 52 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hf9 h ALA 52 CO -0.13 0.43 -0.09 0.28 0.00 0.00 0.00 179.25 179.74 3hf9 h VAL 53 N 0.89 0.60 -0.67 0.00 2.07 -1.15 -2.87 116.25 115.12 3hf9 h VAL 53 Ca 0.21 -1.08 0.17 0.00 0.82 0.00 0.00 66.70 66.82 3hf9 h VAL 53 Cb 0.18 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hf9 h VAL 53 CO -0.02 0.17 0.46 -0.33 0.02 0.00 0.00 177.57 177.87 3hf9 h GLU 54 N -0.96 0.16 0.11 1.57 4.39 -0.41 0.64 114.58 120.08 3hf9 h GLU 54 Ca -0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3hf9 h GLU 54 Cb 0.46 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3hf9 h GLU 54 CO 0.04 0.10 -0.05 0.35 -1.16 0.00 0.00 179.01 178.29 3hf9 h PHE 55 N 0.16 -0.14 -1.01 4.33 3.04 -1.44 -2.22 116.94 119.67 3hf9 h PHE 55 Ca 0.32 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.37 3hf9 h PHE 55 Cb 1.04 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.52 3hf9 h PHE 55 CO -0.00 0.32 0.64 0.00 -2.02 0.00 0.00 178.31 177.25 3hf9 h ALA 56 N -0.39 1.49 -0.24 2.41 0.00 -1.00 0.10 119.26 121.63 3hf9 h ALA 56 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hf9 h ALA 56 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hf9 h ALA 56 CO 0.03 0.29 0.13 -0.09 0.00 0.00 0.00 179.25 179.60 3hf9 h ARG 57 N 1.05 0.26 0.42 0.00 2.43 0.23 0.11 114.38 118.89 3hf9 h ARG 57 Ca 0.48 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.62 3hf9 h ARG 57 Cb 0.40 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hf9 h ARG 57 CO -0.24 0.17 -0.20 1.25 -1.51 0.00 0.00 179.97 179.44 3hf9 h LEU 58 N 0.27 -0.48 -0.60 3.80 5.85 -0.69 -1.89 115.31 121.57 3hf9 h LEU 58 Ca 0.10 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3hf9 h LEU 58 Cb 0.01 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 3hf9 h LEU 58 CO -0.06 -0.32 0.16 0.22 -0.34 0.00 0.00 178.44 178.10 3hf9 h TYR 59 N -0.59 0.26 -0.50 1.25 3.20 -0.79 -1.46 116.97 118.34 3hf9 h TYR 59 Ca -0.06 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3hf9 h TYR 59 Cb 0.44 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3hf9 h TYR 59 CO -0.04 0.00 0.15 0.00 -1.64 0.00 0.00 178.16 176.63 3hf9 h ALA 60 N 1.46 1.32 -0.46 1.82 0.00 -0.58 -1.37 119.26 121.46 3hf9 h ALA 60 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hf9 h ALA 60 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hf9 h ALA 60 CO -0.38 0.49 0.05 0.28 0.00 0.00 0.00 179.25 179.69 3hf9 h VAL 61 N 0.73 1.25 0.27 0.00 2.07 -0.64 -2.14 116.25 117.79 3hf9 h VAL 61 Ca 0.17 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3hf9 h VAL 61 Cb 0.23 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3hf9 h VAL 61 CO -0.01 0.33 -0.18 -0.33 0.02 0.00 0.00 177.57 177.40 3hf9 h GLU 62 N 0.63 -0.44 -0.45 1.57 5.08 -0.48 0.18 114.58 120.67 3hf9 h GLU 62 Ca 0.14 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3hf9 h GLU 62 Cb 0.43 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 3hf9 h GLU 62 CO 0.01 -0.29 0.09 -0.07 -1.00 0.00 0.00 179.01 177.75 3hf9 h LEU 63 N -0.45 -0.00 -0.34 1.33 3.38 -1.23 -0.38 115.31 117.62 3hf9 h LEU 63 Ca -0.02 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3hf9 h LEU 63 Cb 0.39 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hf9 h LEU 63 CO 0.01 0.03 -0.48 -0.08 0.09 0.00 0.00 178.44 178.01 3hf9 h GLU 64 N 0.22 0.90 -0.53 1.13 4.81 -1.32 -2.44 114.58 117.35 3hf9 h GLU 64 Ca 0.22 -0.53 0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3hf9 h GLU 64 Cb 0.29 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.61 3hf9 h GLU 64 CO -0.29 1.18 -0.14 1.25 -0.73 0.00 0.00 179.01 180.28 3hf9 h HIS 65 N 0.71 -0.29 -0.27 0.92 2.76 -0.03 0.94 115.15 119.89 3hf9 h HIS 65 Ca 0.03 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3hf9 h HIS 65 Cb 1.09 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.24 3hf9 h HIS 65 CO 0.07 -0.23 0.17 -0.92 -1.30 0.00 0.00 177.93 175.71 3hf9 h TYR 66 N -0.00 0.35 -0.56 5.26 3.20 -0.92 -1.86 116.97 122.44 3hf9 h TYR 66 Ca 0.26 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3hf9 h TYR 66 Cb 0.39 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3hf9 h TYR 66 CO -0.45 0.25 0.30 1.49 -1.64 0.00 0.00 178.16 178.11 3hf9 h GLU 67 N 0.35 0.57 -0.84 1.82 4.81 -0.75 -0.28 114.58 120.25 3hf9 h GLU 67 Ca 0.10 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3hf9 h GLU 67 Cb -0.00 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3hf9 h GLU 67 CO -0.02 0.38 0.56 0.87 -0.73 0.00 0.00 179.01 180.06 3hf9 h LYS 68 N 0.58 1.10 -0.39 1.92 1.57 -0.72 0.31 116.57 120.95 3hf9 h LYS 68 Ca 0.24 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3hf9 h LYS 68 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hf9 h LYS 68 CO -0.15 0.73 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.06 3hf9 h LEU 69 N 1.13 0.93 -1.16 2.94 3.38 -0.62 -3.33 115.31 118.58 3hf9 h LEU 69 Ca 0.31 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hf9 h LEU 69 Cb -0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.36 3hf9 h LEU 69 CO -0.07 1.17 -0.07 -0.62 0.09 0.00 0.00 178.44 178.94 3hf9 n GLU 70 N -4.07 1.02 0.00 1.13 -0.58 -0.18 -4.98 120.64 112.98 3hf9 n GLU 70 Ca -0.01 -0.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 3hf9 n GLU 70 Cb 0.51 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 3hf9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hf9 n GLY 71 N 0.68 2.88 3.30 0.62 0.00 0.11 -4.96 105.19 107.82 3hf9 n GLY 71 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 3hf9 n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 72 N -1.14 1.33 0.58 1.61 -7.23 -1.24 -4.95 120.40 109.36 3hf9 s VAL 72 Ca 0.00 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 57.92 3hf9 s VAL 72 Cb 0.00 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 3hf9 s VAL 72 CO 0.00 -0.60 1.03 -2.84 -0.31 0.00 0.00 175.10 172.38 3hf9 s PRO 73 N -3.74 3.53 0.70 4.82 0.02 -1.26 -3.96 135.00 135.11 3hf9 s PRO 73 Ca 0.21 1.05 -0.16 0.00 0.02 0.00 0.00 61.00 62.12 3hf9 s PRO 73 Cb 0.02 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.48 3hf9 s PRO 73 CO 0.04 -0.63 1.13 1.28 -0.33 0.00 0.00 177.00 178.50 3hf9 n LEU 74 N -2.03 4.62 -4.67 -5.54 4.77 -1.26 -5.00 117.00 107.88 3hf9 n LEU 74 Ca 0.08 0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 56.48 3hf9 n LEU 74 Cb 0.53 -1.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.30 3hf9 n LEU 74 CO 0.49 -1.58 0.65 0.42 -1.33 0.00 0.00 177.39 176.03 3hf9 s THR 75 N -1.70 2.48 0.16 -5.08 -4.23 -1.26 -4.73 115.64 101.29 3hf9 s THR 75 Ca 0.77 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 61.29 3hf9 s THR 75 Cb -0.35 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.11 3hf9 s THR 75 CO 0.46 -0.20 1.75 0.15 -0.54 0.00 0.00 174.62 176.23 3hf9 h PHE 76 N -1.77 0.23 -0.83 3.99 3.57 -1.96 0.19 116.94 120.36 3hf9 h PHE 76 Ca -0.49 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.23 3hf9 h PHE 76 Cb 1.28 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.86 3hf9 h PHE 76 CO 0.45 0.08 0.30 0.00 -2.23 0.00 0.00 178.31 176.91 3hf9 h ALA 77 N 1.27 1.23 -0.28 2.41 0.00 -1.99 -0.45 119.26 121.44 3hf9 h ALA 77 Ca 0.19 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3hf9 h ALA 77 Cb 0.18 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hf9 h ALA 77 CO -0.20 -0.33 0.17 0.78 0.00 0.00 0.00 179.25 179.67 3hf9 h GLY 78 N 0.35 0.41 0.51 0.00 0.00 -1.04 0.30 103.07 103.59 3hf9 h GLY 78 Ca 0.50 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3hf9 h GLY 78 CO -0.52 0.16 0.07 0.50 0.00 0.00 0.00 176.54 176.75 3hf9 h LYS 79 N 0.36 0.19 -0.93 4.80 1.57 0.42 -0.96 116.57 122.03 3hf9 h LYS 79 Ca 0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3hf9 h LYS 79 Cb -0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3hf9 h LYS 79 CO -0.02 0.13 0.56 0.82 -0.57 0.00 0.00 179.45 180.37 3hf9 h ILE 80 N 0.20 1.26 0.33 1.86 2.04 -0.50 -1.53 117.51 121.17 3hf9 h ILE 80 Ca 0.19 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3hf9 h ILE 80 Cb 0.23 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3hf9 h ILE 80 CO -0.25 0.27 -0.26 -1.13 0.00 0.00 0.00 178.15 176.78 3hf9 h ASN 81 N 1.29 -0.68 -0.92 1.72 -1.24 -0.09 0.13 115.58 115.79 3hf9 h ASN 81 Ca 0.33 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.43 3hf9 h ASN 81 Cb -0.05 0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.16 3hf9 h ASN 81 CO -0.06 -0.39 0.60 0.03 -1.29 0.00 0.00 177.43 176.31 3hf9 h ARG 82 N -0.60 1.12 0.12 6.67 2.47 -1.06 -0.37 114.38 122.73 3hf9 h ARG 82 Ca -0.03 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 3hf9 h ARG 82 Cb 0.52 -0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 3hf9 h ARG 82 CO -0.01 0.74 -0.24 1.25 0.56 0.00 0.00 179.97 182.28 3hf9 h LEU 83 N 1.16 -0.67 -0.57 3.04 6.46 -0.95 -1.37 115.31 122.40 3hf9 h LEU 83 Ca 0.36 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 58.25 3hf9 h LEU 83 Cb -0.00 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 3hf9 h LEU 83 CO -0.12 -0.32 0.30 0.00 -0.62 0.00 0.00 178.44 177.68 3hf9 h ALA 84 N 0.33 0.75 -0.62 1.25 0.00 0.18 0.13 119.26 121.27 3hf9 h ALA 84 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hf9 h ALA 84 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3hf9 h ALA 84 CO -0.13 -0.03 0.37 0.82 0.00 0.00 0.00 179.25 180.28 3hf9 h ILE 85 N 0.58 1.05 -0.53 0.00 2.04 -0.96 0.48 117.51 120.17 3hf9 h ILE 85 Ca 0.25 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3hf9 h ILE 85 Cb 0.15 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3hf9 h ILE 85 CO -0.17 0.13 0.18 -0.03 0.00 0.00 0.00 178.15 178.26 3hf9 h MET 86 N 0.72 0.81 0.13 2.37 4.05 0.01 -0.27 114.93 122.76 3hf9 h MET 86 Ca 0.26 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3hf9 h MET 86 Cb 0.06 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3hf9 h MET 86 CO -0.12 0.74 -0.06 0.28 0.23 0.00 0.00 176.91 177.98 3hf9 h VAL 87 N 0.72 0.94 -0.10 -5.77 2.07 -0.25 -2.27 116.25 111.58 3hf9 h VAL 87 Ca 0.17 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3hf9 h VAL 87 Cb 0.26 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hf9 h VAL 87 CO -0.01 0.06 0.07 0.03 0.02 0.00 0.00 177.57 177.75 3hf9 h ARG 88 N -0.29 0.00 -0.61 1.57 3.08 -0.83 -2.09 114.38 115.22 3hf9 h ARG 88 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3hf9 h ARG 88 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3hf9 h ARG 88 CO 0.03 0.00 0.15 0.78 -1.07 0.00 0.00 179.97 179.86 3hf9 h GLY 89 N 0.00 1.01 1.49 0.04 0.00 -0.48 -2.53 103.07 102.60 3hf9 h GLY 89 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3hf9 h GLY 89 CO -0.00 0.56 -0.46 3.43 0.00 0.00 0.00 176.54 180.07 3hf9 h ASN 90 N 0.90 0.00 1.35 0.19 2.35 -0.96 -3.22 115.58 116.19 3hf9 h ASN 90 Ca 0.20 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hf9 h ASN 90 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3hf9 h ASN 90 CO -0.00 0.02 -0.60 -0.07 -1.65 0.00 0.00 177.43 175.13 3hf9 h LEU 91 N 0.00 0.00 -0.13 1.61 3.38 -1.30 -3.10 115.31 115.77 3hf9 h LEU 91 Ca 0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3hf9 h LEU 91 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3hf9 h LEU 91 CO 0.00 0.01 -0.60 0.00 0.09 0.00 0.00 178.44 177.93 3hf9 h ALA 92 N 2.05 0.64 -0.00 1.53 0.00 -1.51 -3.51 119.26 118.46 3hf9 h ALA 92 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hf9 h ALA 92 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hf9 h ALA 92 CO 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 179.25 179.97 3hf9 n ALA 93 N -2.27 2.46 -2.83 0.00 0.00 -1.17 -5.14 120.51 111.56 3hf9 n ALA 93 Ca 0.01 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 3hf9 n ALA 93 Cb 0.75 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 3hf9 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 99 N -0.18 5.17 -4.40 0.00 4.77 -1.26 -4.92 117.00 116.19 3hf9 n LEU 99 Ca 0.01 -5.58 -0.44 0.00 -0.03 0.00 0.00 56.01 49.97 3hf9 n LEU 99 Cb 0.07 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 3hf9 n LEU 99 CO 0.03 2.28 0.60 0.00 -1.33 0.00 0.00 177.39 178.97 3hf9 s ALA 100 N -3.68 3.42 -0.32 -1.18 0.00 -1.26 -5.02 121.76 113.73 3hf9 s ALA 100 Ca 0.47 -2.40 -0.13 0.00 0.00 0.00 0.00 51.96 49.90 3hf9 s ALA 100 Cb 0.27 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3hf9 s ALA 100 CO -0.15 -2.56 0.28 -0.51 0.00 0.00 0.00 175.76 172.82 3hf9 s LEU 101 N 2.67 4.32 0.68 0.00 2.01 -1.26 -4.99 118.68 122.11 3hf9 s LEU 101 Ca 0.19 -0.18 -0.11 0.00 0.01 0.00 0.00 54.13 54.04 3hf9 s LEU 101 Cb -0.17 -2.23 -0.00 0.00 0.01 0.00 0.00 46.19 43.80 3hf9 s LEU 101 CO 0.02 -0.22 1.05 -2.84 1.01 0.00 0.00 176.35 175.38 3hf9 s PRO 102 N 1.86 3.10 -0.10 1.29 0.02 -1.26 -4.36 135.00 135.56 3hf9 s PRO 102 Ca 0.09 0.83 0.00 0.00 0.02 0.00 0.00 61.00 61.95 3hf9 s PRO 102 Cb -0.17 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.36 3hf9 s PRO 102 CO 0.11 -0.95 -0.09 -1.17 -0.33 0.00 0.00 177.00 174.57 3hf9 s LEU 103 N -5.42 1.32 -0.14 -5.54 0.20 -0.14 -3.15 118.68 105.80 3hf9 s LEU 103 Ca 0.57 -0.30 -0.01 0.00 0.69 0.00 0.00 54.13 55.08 3hf9 s LEU 103 Cb -0.13 -0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 44.78 3hf9 s LEU 103 CO 0.54 -0.08 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.21 3hf9 s LEU 104 N 1.40 2.91 -0.03 -0.68 2.96 0.14 -1.31 118.68 124.07 3hf9 s LEU 104 Ca -0.01 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3hf9 s LEU 104 Cb -0.13 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3hf9 s LEU 104 CO -0.05 0.17 -0.19 0.00 -1.32 0.00 0.00 176.35 174.95 3hf9 s ALA 105 N 0.36 2.46 0.22 5.97 0.00 -0.41 -0.64 121.76 129.72 3hf9 s ALA 105 Ca -0.08 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 3hf9 s ALA 105 Cb -0.15 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.20 3hf9 s ALA 105 CO 0.05 0.55 0.54 0.20 0.00 0.00 0.00 175.76 177.09 3hf9 s GLY 106 N -0.73 0.07 -0.09 0.00 0.00 0.06 -0.88 107.32 105.74 3hf9 s GLY 106 Ca 0.11 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.45 3hf9 s GLY 106 CO 0.00 -0.33 -0.20 -0.47 0.00 0.00 0.00 173.10 172.10 3hf9 s TYR 107 N -3.92 2.19 -0.52 1.90 5.04 0.42 -0.22 117.35 122.23 3hf9 s TYR 107 Ca 0.13 -0.91 -0.16 0.00 -2.44 0.00 0.00 57.07 53.68 3hf9 s TYR 107 Cb -0.02 -1.50 0.11 0.00 0.35 0.00 0.00 41.96 40.89 3hf9 s TYR 107 CO 0.02 -0.40 0.50 0.34 -1.34 0.00 0.00 175.55 174.67 3hf9 s ASP 108 N 0.54 6.18 0.31 4.32 2.15 -0.68 -4.84 116.67 124.64 3hf9 s ASP 108 Ca -0.15 -1.56 0.04 0.00 0.43 0.00 0.00 52.55 51.31 3hf9 s ASP 108 Cb -0.17 -2.22 0.50 0.00 -0.30 0.00 0.00 42.92 40.73 3hf9 s ASP 108 CO 0.06 -0.83 1.77 0.16 -0.17 0.00 0.00 175.17 176.16 3hf9 h ILE 109 N 5.85 1.25 0.00 4.11 3.07 -1.97 -1.92 117.51 127.89 3hf9 h ILE 109 Ca -0.29 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 64.98 3hf9 h ILE 109 Cb 1.10 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 3hf9 h ILE 109 CO 0.99 0.36 0.00 1.41 -1.05 0.00 0.00 178.15 179.87 3hf9 n HIS 110 N -4.16 0.00 -2.44 0.16 8.25 -1.26 -4.80 115.22 110.96 3hf9 n HIS 110 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3hf9 n HIS 110 Cb 0.37 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 3hf9 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf9 s ALA 111 N -2.31 3.40 0.11 -1.41 0.00 -0.73 -4.94 121.76 115.88 3hf9 s ALA 111 Ca 0.10 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 3hf9 s ALA 111 Cb 0.05 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 3hf9 s ALA 111 CO 0.11 -0.21 1.75 0.66 0.00 0.00 0.00 175.76 178.07 3hf9 h SER 112 N 3.73 0.14 -3.57 0.00 4.64 -1.89 -3.40 113.55 113.20 3hf9 h SER 112 Ca -0.47 -0.02 -0.71 0.00 -0.47 0.00 0.00 61.79 60.12 3hf9 h SER 112 Cb 1.21 -0.04 -0.22 0.00 -0.31 0.00 0.00 62.40 63.04 3hf9 h SER 112 CO 0.67 0.12 -0.48 -0.62 -0.87 0.00 0.00 176.83 175.64 3hf9 s ASP 113 N -5.32 5.89 0.53 4.97 3.68 -1.26 -4.97 116.67 120.18 3hf9 s ASP 113 Ca -0.13 -0.85 0.34 0.00 2.13 0.00 0.00 52.55 54.04 3hf9 s ASP 113 Cb 0.07 -2.08 1.50 0.00 -1.45 0.00 0.00 42.92 40.96 3hf9 s ASP 113 CO 0.68 -0.37 2.01 -0.65 0.13 0.00 0.00 175.17 176.97 3hf9 h PRO 114 N 8.50 0.00 -0.38 4.34 0.11 -1.95 -2.81 132.00 139.82 3hf9 h PRO 114 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 3hf9 h PRO 114 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hf9 h PRO 114 CO 0.68 0.00 0.02 1.96 -0.21 0.00 0.00 178.00 180.45 3hf9 h GLN 115 N 0.00 0.65 -1.04 1.05 1.08 -1.93 -3.23 115.11 111.69 3hf9 h GLN 115 Ca 0.00 -0.20 -0.62 0.00 -1.45 0.00 0.00 58.65 56.38 3hf9 h GLN 115 Cb 0.39 -0.06 -0.37 0.00 -0.05 0.00 0.00 27.48 27.39 3hf9 h GLN 115 CO 0.00 0.74 -0.08 -1.13 -0.95 0.00 0.00 178.83 177.41 3hf9 n SER 116 N -4.49 6.05 -0.34 1.46 3.41 -1.08 -0.00 113.62 118.63 3hf9 n SER 116 Ca -0.01 -3.77 0.14 0.00 -0.26 0.00 0.00 58.87 54.97 3hf9 n SER 116 Cb 0.27 -0.63 0.51 0.00 -0.26 0.00 0.00 64.21 64.10 3hf9 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 117 N -0.73 2.76 -1.77 7.33 0.00 -1.11 -4.88 120.51 122.12 3hf9 n ALA 117 Ca 0.50 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 3hf9 n ALA 117 Cb 0.76 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 19.03 3hf9 n ALA 117 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf9 s GLY 118 N -2.21 2.78 -0.01 0.00 0.00 -1.26 -1.69 107.32 104.93 3hf9 s GLY 118 Ca 0.33 1.01 -0.00 0.00 0.00 0.00 0.00 44.72 46.06 3hf9 s GLY 118 CO 0.41 1.47 0.02 0.50 0.00 0.00 0.00 173.10 175.49 3hf9 s ARG 119 N -2.86 -0.01 -0.06 2.90 1.81 0.69 -4.91 118.95 116.51 3hf9 s ARG 119 Ca 0.67 0.08 0.01 0.00 -1.72 0.00 0.00 55.73 54.78 3hf9 s ARG 119 Cb -0.31 -0.08 0.02 0.00 -0.45 0.00 0.00 34.95 34.13 3hf9 s ARG 119 CO 0.36 -0.06 -0.08 0.42 -0.68 0.00 0.00 175.30 175.26 3hf9 s ILE 120 N 0.39 0.86 -0.08 1.52 1.01 -1.26 -0.76 121.20 122.87 3hf9 s ILE 120 Ca -0.03 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.34 3hf9 s ILE 120 Cb -0.05 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3hf9 s ILE 120 CO -0.01 0.30 -0.11 -0.69 0.00 0.00 0.00 174.94 174.43 3hf9 s VAL 121 N 0.92 1.11 0.44 2.92 1.01 0.18 -1.53 120.40 125.45 3hf9 s VAL 121 Ca -0.10 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3hf9 s VAL 121 Cb -0.15 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3hf9 s VAL 121 CO 0.01 0.36 0.06 -0.94 0.00 0.00 0.00 175.10 174.59 3hf9 s SER 122 N 1.01 4.09 -0.01 3.32 1.04 -0.69 0.24 113.70 122.69 3hf9 s SER 122 Ca -0.08 -1.36 0.05 0.00 0.48 0.00 0.00 55.95 55.04 3hf9 s SER 122 Cb -0.15 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 3hf9 s SER 122 CO -0.00 -0.58 -0.17 -0.36 0.98 0.00 0.00 173.24 173.10 3hf9 s PHE 123 N -2.72 1.55 0.84 5.02 0.40 -1.19 -1.74 117.98 120.13 3hf9 s PHE 123 Ca 0.30 -0.30 -0.09 0.00 -0.60 0.00 0.00 56.93 56.25 3hf9 s PHE 123 Cb 0.06 -0.99 0.16 0.00 0.51 0.00 0.00 43.02 42.76 3hf9 s PHE 123 CO 0.16 -0.02 1.16 0.16 0.70 0.00 0.00 175.22 177.38 3hf9 s ASP 124 N -0.44 3.78 0.38 1.36 1.47 -0.72 -4.82 116.67 117.67 3hf9 s ASP 124 Ca 0.07 0.00 0.17 0.00 1.18 0.00 0.00 52.55 53.97 3hf9 s ASP 124 Cb -0.07 -0.23 1.09 0.00 -0.34 0.00 0.00 42.92 43.37 3hf9 s ASP 124 CO -0.01 -2.27 1.73 0.00 0.68 0.00 0.00 175.17 175.31 3hf9 h ALA 125 N -1.08 2.16 -0.60 2.11 0.00 -2.01 -1.50 119.26 118.33 3hf9 h ALA 125 Ca -0.41 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hf9 h ALA 125 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hf9 h ALA 125 CO 0.41 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3hf9 n ALA 126 N -2.42 3.25 -1.10 0.00 0.00 -1.26 -4.93 120.51 114.05 3hf9 n ALA 126 Ca 0.28 -1.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.12 3hf9 n ALA 126 Cb 0.92 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 3hf9 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 127 N 0.99 0.56 3.78 0.00 0.00 -0.56 -4.97 105.19 104.98 3hf9 n GLY 127 Ca 0.25 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3hf9 n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hf9 s GLY 128 N -2.97 2.32 0.68 -0.02 0.00 -1.26 -4.61 107.32 101.45 3hf9 s GLY 128 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 3hf9 s GLY 128 CO 0.00 0.28 1.03 0.66 0.00 0.00 0.00 173.10 175.08 3hf9 s TRP 129 N -0.20 3.22 -0.24 1.90 1.48 -1.26 -1.76 118.94 122.09 3hf9 s TRP 129 Ca 0.20 0.83 -0.11 0.00 -1.06 0.00 0.00 56.10 55.96 3hf9 s TRP 129 Cb -0.14 -3.02 0.09 0.00 -1.16 0.00 0.00 33.47 29.24 3hf9 s TRP 129 CO 0.08 -1.15 0.55 1.21 -4.06 0.00 0.00 176.95 173.58 3hf9 s ASN 130 N -4.38 -0.72 -0.06 -2.66 3.04 -0.71 -4.90 114.94 104.55 3hf9 s ASN 130 Ca 0.57 1.25 -0.17 0.00 0.04 0.00 0.00 52.86 54.55 3hf9 s ASN 130 Cb -0.11 1.43 -0.05 0.00 -1.54 0.00 0.00 41.25 40.98 3hf9 s ASN 130 CO 0.49 -0.22 0.45 -0.63 -3.04 0.00 0.00 177.10 174.15 3hf9 s ILE 131 N 2.09 5.09 -0.34 -5.21 1.01 -1.26 -1.70 121.20 120.88 3hf9 s ILE 131 Ca -0.07 0.92 -0.22 0.00 0.00 0.00 0.00 60.65 61.28 3hf9 s ILE 131 Cb -0.09 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3hf9 s ILE 131 CO -0.16 0.45 0.70 -1.61 0.00 0.00 0.00 174.94 174.31 3hf9 s GLU 132 N -0.19 3.79 0.00 2.79 0.41 -0.58 -4.89 118.70 120.04 3hf9 s GLU 132 Ca 0.25 0.26 0.16 0.00 -0.41 0.00 0.00 54.97 55.23 3hf9 s GLU 132 Cb -0.16 -3.78 0.09 0.00 -1.78 0.00 0.00 34.13 28.50 3hf9 s GLU 132 CO 0.12 -0.73 0.95 0.39 -0.49 0.00 0.00 175.26 175.51 3hf9 n GLU 133 N 6.14 1.39 0.04 1.61 1.02 -1.26 -4.31 120.64 125.27 3hf9 n GLU 133 Ca 0.01 -1.25 0.14 0.00 -0.02 0.00 0.00 57.16 56.03 3hf9 n GLU 133 Cb 0.48 -1.29 0.52 0.00 -0.02 0.00 0.00 31.44 31.14 3hf9 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hf9 n GLU 134 N 0.59 0.09 0.00 3.49 1.02 -1.26 -4.95 120.64 119.62 3hf9 n GLU 134 Ca 0.08 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3hf9 n GLU 134 Cb 0.38 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3hf9 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hf9 n GLY 135 N 1.43 3.25 3.24 0.62 0.00 -1.26 -5.03 105.19 107.45 3hf9 n GLY 135 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hf9 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 136 N -2.88 1.11 -0.05 1.61 1.13 -1.26 -0.31 117.35 116.70 3hf9 s TYR 136 Ca 0.00 -1.33 -0.30 0.00 -1.41 0.00 0.00 57.07 54.02 3hf9 s TYR 136 Cb 0.00 -0.49 0.11 0.00 -1.10 0.00 0.00 41.96 40.48 3hf9 s TYR 136 CO 0.00 -0.69 0.99 -1.14 -2.51 0.00 0.00 175.55 172.20 3hf9 s GLN 137 N -4.10 0.68 -0.18 -3.49 2.00 -0.71 -4.94 119.66 108.92 3hf9 s GLN 137 Ca 0.37 -0.26 -0.25 0.00 -2.00 0.00 0.00 55.36 53.22 3hf9 s GLN 137 Cb 0.06 0.31 0.06 0.00 0.80 0.00 0.00 33.01 34.24 3hf9 s GLN 137 CO 0.13 -0.30 0.66 0.00 -0.50 0.00 0.00 175.29 175.27 3hf9 s ALA 138 N -2.91 -1.65 0.12 1.58 0.00 -1.26 -1.22 121.76 116.41 3hf9 s ALA 138 Ca 0.07 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.71 3hf9 s ALA 138 Cb -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3hf9 s ALA 138 CO -0.07 -0.33 -0.09 0.14 0.00 0.00 0.00 175.76 175.41 3hf9 s VAL 139 N -0.18 0.97 0.00 0.00 -7.23 -0.36 -4.86 120.40 108.74 3hf9 s VAL 139 Ca -0.04 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3hf9 s VAL 139 Cb -0.03 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3hf9 s VAL 139 CO 0.04 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 3hf9 n GLY 140 N 0.11 -2.52 0.28 2.32 0.00 -1.26 -1.04 105.19 103.07 3hf9 n GLY 140 Ca -0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 3hf9 n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 141 N 0.00 0.64 -0.26 1.61 4.64 -1.97 -1.18 113.55 117.03 3hf9 h SER 141 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3hf9 h SER 141 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3hf9 h SER 141 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3hf9 n GLY 142 N -0.72 1.16 0.31 -0.77 0.00 -1.26 -4.40 105.19 99.50 3hf9 n GLY 142 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3hf9 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 143 N 1.64 0.66 -0.30 1.61 4.64 -1.45 -1.84 113.55 118.51 3hf9 h SER 143 Ca 0.00 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3hf9 h SER 143 Cb 0.71 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hf9 h SER 143 CO 0.09 0.59 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.54 3hf9 h LEU 144 N 0.72 0.55 -0.58 5.97 3.38 -1.81 -0.89 115.31 122.65 3hf9 h LEU 144 Ca 0.18 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3hf9 h LEU 144 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hf9 h LEU 144 CO -0.02 0.75 -0.17 -0.26 0.09 0.00 0.00 178.44 178.84 3hf9 h PHE 145 N 0.34 1.09 -0.14 1.13 0.04 -1.81 -2.03 116.94 115.56 3hf9 h PHE 145 Ca 0.08 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 3hf9 h PHE 145 Cb 0.49 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3hf9 h PHE 145 CO 0.04 1.04 0.04 0.00 -0.60 0.00 0.00 178.31 178.83 3hf9 h ALA 146 N 0.96 0.18 -0.57 2.45 0.00 -1.11 -1.19 119.26 119.98 3hf9 h ALA 146 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 146 Cb 0.72 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3hf9 h ALA 146 CO 0.06 -0.19 0.25 0.87 0.00 0.00 0.00 179.25 180.24 3hf9 h LYS 147 N 0.03 0.82 0.00 0.00 1.57 -1.13 -0.74 116.57 117.12 3hf9 h LYS 147 Ca 0.04 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3hf9 h LYS 147 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hf9 h LYS 147 CO -0.00 0.65 -0.35 0.77 -0.57 0.00 0.00 179.45 179.94 3hf9 h SER 148 N 0.81 0.00 -0.01 0.86 0.02 -1.14 -0.91 113.55 113.18 3hf9 h SER 148 Ca 0.20 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 3hf9 h SER 148 Cb 0.12 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.66 3hf9 h SER 148 CO -0.02 0.35 -0.27 -1.28 -1.14 0.00 0.00 176.83 174.47 3hf9 h SER 149 N 0.00 0.25 -0.92 3.07 0.87 -0.51 -3.20 113.55 113.10 3hf9 h SER 149 Ca -0.00 -0.76 0.05 0.00 -1.23 0.00 0.00 61.79 59.84 3hf9 h SER 149 Cb 0.84 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 3hf9 h SER 149 CO 0.05 0.97 0.60 0.24 -0.53 0.00 0.00 176.83 178.16 3hf9 h MET 150 N -0.45 1.09 -1.00 2.24 2.07 -1.00 -0.60 114.93 117.27 3hf9 h MET 150 Ca -0.03 -0.07 0.28 0.00 -2.07 0.00 0.00 59.70 57.82 3hf9 h MET 150 Cb 1.01 -0.25 -0.14 0.00 -1.87 0.00 0.00 31.60 30.35 3hf9 h MET 150 CO 0.05 0.72 0.57 -0.22 1.07 0.00 0.00 176.91 179.10 3hf9 h LYS 151 N 1.12 0.43 0.00 1.72 3.64 -1.16 0.37 116.57 122.70 3hf9 h LYS 151 Ca 0.38 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.52 3hf9 h LYS 151 Cb 0.08 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3hf9 h LYS 151 CO -0.13 0.29 -1.37 0.87 -2.27 0.00 0.00 179.45 176.84 3hf9 h LYS 152 N 0.44 0.00 0.00 1.90 1.79 -1.19 -3.38 116.57 116.14 3hf9 h LYS 152 Ca 0.68 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 3hf9 h LYS 152 Cb 1.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 3hf9 h LYS 152 CO -0.54 0.47 -1.08 1.28 -1.08 0.00 0.00 179.45 178.49 3hf9 n LEU 153 N -3.03 0.89 -0.27 2.94 4.77 -0.24 -4.51 117.00 117.54 3hf9 n LEU 153 Ca -0.10 -0.45 -0.06 0.00 -0.03 0.00 0.00 56.01 55.37 3hf9 n LEU 153 Cb 0.92 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.07 3hf9 n LEU 153 CO 0.44 0.22 1.00 0.22 -1.33 0.00 0.00 177.39 177.94 3hf9 h TYR 154 N 0.00 1.20 -1.66 -1.77 3.20 -0.52 -1.61 116.97 115.82 3hf9 h TYR 154 Ca 0.00 -0.12 0.50 0.00 3.14 0.00 0.00 58.73 62.25 3hf9 h TYR 154 Cb 0.54 -0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 3hf9 h TYR 154 CO 0.00 0.94 1.16 0.66 -1.64 0.00 0.00 178.16 179.28 3hf9 h SER 155 N 1.11 0.08 -0.02 -2.11 4.64 -1.83 0.12 113.55 115.54 3hf9 h SER 155 Ca 0.24 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3hf9 h SER 155 Cb 0.30 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hf9 h SER 155 CO -0.01 -0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3hf9 n GLN 156 N -4.23 1.22 -3.02 4.77 6.02 -0.61 -4.82 117.38 116.72 3hf9 n GLN 156 Ca 0.40 -0.33 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 3hf9 n GLN 156 Cb 1.73 -1.43 -0.06 0.00 1.02 0.00 0.00 30.24 31.50 3hf9 n GLN 156 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hf9 s VAL 157 N -1.97 4.84 0.00 5.09 1.01 0.41 -4.84 120.40 124.93 3hf9 s VAL 157 Ca 0.39 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.28 3hf9 s VAL 157 Cb 0.19 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3hf9 s VAL 157 CO 0.31 -0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.48 3hf9 n THR 158 N 5.57 0.00 -4.13 3.92 -2.24 -1.26 -4.84 114.28 111.30 3hf9 n THR 158 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3hf9 n THR 158 Cb 0.48 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3hf9 n THR 158 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 159 N -1.31 -0.40 0.22 3.42 5.75 -1.26 -4.49 116.55 118.47 3hf9 n ASP 159 Ca 0.00 -2.16 0.07 0.00 -0.01 0.00 0.00 54.79 52.69 3hf9 n ASP 159 Cb 0.21 0.92 0.49 0.00 -1.03 0.00 0.00 41.12 41.71 3hf9 n ASP 159 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 160 N 1.09 0.00 0.84 6.12 0.00 -1.96 -1.82 103.07 107.34 3hf9 h GLY 160 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 3hf9 h GLY 160 CO 0.18 0.00 -0.53 -1.80 0.00 0.00 0.00 176.54 174.39 3hf9 h ASP 161 N 0.00 0.58 -0.38 0.19 -0.00 -1.99 -1.18 116.42 113.65 3hf9 h ASP 161 Ca -0.00 -0.68 -0.14 0.00 -0.00 0.00 0.00 57.03 56.20 3hf9 h ASP 161 Cb 0.59 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.74 3hf9 h ASP 161 CO 0.04 1.18 -0.33 0.77 -0.00 0.00 0.00 179.24 180.89 3hf9 h SER 162 N 0.03 0.94 -0.86 2.28 4.64 -1.91 -2.10 113.55 116.56 3hf9 h SER 162 Ca -0.05 -0.45 0.17 0.00 -0.47 0.00 0.00 61.79 60.99 3hf9 h SER 162 Cb 1.20 -0.26 -0.10 0.00 -0.31 0.00 0.00 62.40 62.93 3hf9 h SER 162 CO 0.11 1.20 0.42 1.23 -0.87 0.00 0.00 176.83 178.91 3hf9 h GLY 163 N 0.69 1.43 1.03 -0.77 0.00 -1.32 -0.18 103.07 103.95 3hf9 h GLY 163 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3hf9 h GLY 163 CO 0.08 -0.11 0.22 -2.00 0.00 0.00 0.00 176.54 174.73 3hf9 h LEU 164 N 0.55 0.97 0.18 3.11 6.46 -0.82 -1.27 115.31 124.49 3hf9 h LEU 164 Ca 0.49 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 3hf9 h LEU 164 Cb 0.78 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3hf9 h LEU 164 CO -0.42 0.92 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.15 3hf9 h ARG 165 N 0.98 -0.23 -0.46 1.25 2.43 -0.54 -1.03 114.38 116.78 3hf9 h ARG 165 Ca 0.22 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 3hf9 h ARG 165 Cb 0.29 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 3hf9 h ARG 165 CO -0.01 0.08 -0.21 0.28 -1.51 0.00 0.00 179.97 178.60 3hf9 h VAL 166 N -0.54 0.38 -0.55 0.20 2.07 -1.10 0.32 116.25 117.02 3hf9 h VAL 166 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 3hf9 h VAL 166 Cb 0.41 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 3hf9 h VAL 166 CO 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 3hf9 h ALA 167 N 1.21 0.48 -0.31 1.67 0.00 -1.16 0.27 119.26 121.41 3hf9 h ALA 167 Ca 0.22 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 3hf9 h ALA 167 Cb 0.45 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hf9 h ALA 167 CO -0.53 -0.41 -0.18 0.28 0.00 0.00 0.00 179.25 178.41 3hf9 h VAL 168 N 0.08 1.25 -0.21 0.00 2.07 -0.20 -1.85 116.25 117.39 3hf9 h VAL 168 Ca 0.28 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3hf9 h VAL 168 Cb 0.43 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3hf9 h VAL 168 CO -0.49 0.39 -0.30 -0.08 0.02 0.00 0.00 177.57 177.10 3hf9 h GLU 169 N 0.52 0.57 -0.64 1.57 4.81 0.18 -1.00 114.58 120.59 3hf9 h GLU 169 Ca 0.08 -0.33 0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3hf9 h GLU 169 Cb 0.61 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 3hf9 h GLU 169 CO 0.04 0.94 0.27 0.00 -0.73 0.00 0.00 179.01 179.53 3hf9 h ALA 170 N 0.62 0.84 0.00 2.92 0.00 -0.39 0.37 119.26 123.62 3hf9 h ALA 170 Ca 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 170 Cb 0.88 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3hf9 h ALA 170 CO 0.07 -0.15 -0.18 -0.07 0.00 0.00 0.00 179.25 178.92 3hf9 h LEU 171 N 0.47 0.00 -0.18 0.00 3.38 -1.19 -1.09 115.31 116.71 3hf9 h LEU 171 Ca 0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 3hf9 h LEU 171 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hf9 h LEU 171 CO -0.29 0.18 -0.32 0.22 0.09 0.00 0.00 178.44 178.33 3hf9 h TYR 172 N 0.00 0.66 -0.22 1.13 3.20 0.44 -2.24 116.97 119.94 3hf9 h TYR 172 Ca -0.00 -0.23 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 3hf9 h TYR 172 Cb 0.33 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3hf9 h TYR 172 CO 0.00 0.95 -0.00 -0.44 -1.64 0.00 0.00 178.16 177.03 3hf9 h ASP 173 N 0.17 0.30 -0.36 -2.11 3.32 -0.03 -1.48 116.42 116.23 3hf9 h ASP 173 Ca 0.01 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3hf9 h ASP 173 Cb 0.91 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3hf9 h ASP 173 CO 0.07 0.35 -0.30 0.00 -1.72 0.00 0.00 179.24 177.64 3hf9 h ALA 174 N 1.69 0.52 0.00 3.45 0.00 -1.07 -2.47 119.26 121.38 3hf9 h ALA 174 Ca 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3hf9 h ALA 174 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hf9 h ALA 174 CO 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 3hf9 h ALA 175 N 0.76 1.02 0.00 0.00 0.00 -0.94 -1.34 119.26 118.77 3hf9 h ALA 175 Ca 0.06 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3hf9 h ALA 175 Cb 0.88 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hf9 h ALA 175 CO 0.08 0.11 -0.79 0.22 0.00 0.00 0.00 179.25 178.87 3hf9 h ASP 176 N 0.00 0.00 -0.00 0.00 3.58 -0.80 -3.29 116.42 115.91 3hf9 h ASP 176 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3hf9 h ASP 176 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3hf9 h ASP 176 CO 0.01 0.79 -0.35 0.47 -2.88 0.00 0.00 179.24 177.28 3hf9 n ASP 177 N -3.60 0.49 -4.01 2.28 8.00 -1.12 -4.96 116.55 113.63 3hf9 n ASP 177 Ca -0.01 -0.74 -0.25 0.00 0.71 0.00 0.00 54.79 54.50 3hf9 n ASP 177 Cb 0.76 0.92 -0.17 0.00 -0.02 0.00 0.00 41.12 42.61 3hf9 n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hf9 s ASP 178 N -1.67 1.81 0.02 -2.24 2.15 -0.52 -5.02 116.67 111.20 3hf9 s ASP 178 Ca 0.04 -0.30 0.27 0.00 0.43 0.00 0.00 52.55 52.99 3hf9 s ASP 178 Cb 0.06 -0.82 0.91 0.00 -0.30 0.00 0.00 42.92 42.77 3hf9 s ASP 178 CO 0.31 0.01 1.71 -1.54 -0.17 0.00 0.00 175.17 175.49 3hf9 n SER 179 N 3.96 0.26 0.01 -0.34 3.41 -1.26 -3.19 113.62 116.47 3hf9 n SER 179 Ca -0.22 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3hf9 n SER 179 Cb 0.51 -0.22 0.24 0.00 -0.26 0.00 0.00 64.21 64.48 3hf9 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 180 N -1.53 3.34 -2.84 7.33 0.00 -1.26 -4.76 120.51 120.79 3hf9 n ALA 180 Ca 0.06 -0.32 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 3hf9 n ALA 180 Cb 0.35 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 3hf9 n ALA 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hf9 s THR 181 N -3.05 4.65 0.14 0.00 2.01 -1.19 -4.66 115.64 113.54 3hf9 s THR 181 Ca 0.10 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 3hf9 s THR 181 Cb 0.17 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.51 3hf9 s THR 181 CO 0.70 0.46 0.68 -0.83 -0.69 0.00 0.00 174.62 174.95 3hf9 s GLY 182 N 0.38 2.76 0.19 4.40 0.00 -1.26 -4.54 107.32 109.26 3hf9 s GLY 182 Ca 0.02 0.19 -0.00 0.00 0.00 0.00 0.00 44.72 44.93 3hf9 s GLY 182 CO 0.01 0.63 0.27 0.61 0.00 0.00 0.00 173.10 174.62 3hf9 n GLY 183 N 1.47 0.59 3.65 0.20 0.00 -1.26 -4.56 105.19 105.28 3hf9 n GLY 183 Ca -0.07 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 3hf9 n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hf9 s PRO 184 N -3.14 4.08 -0.66 1.61 0.02 -1.26 -4.91 135.00 130.74 3hf9 s PRO 184 Ca 0.17 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 62.79 3hf9 s PRO 184 Cb -0.01 -3.93 0.05 0.00 0.02 0.00 0.00 34.50 30.63 3hf9 s PRO 184 CO 0.12 -0.94 1.08 0.34 -0.33 0.00 0.00 177.00 177.27 3hf9 s ASP 185 N 3.13 6.21 0.23 2.53 3.68 -0.69 -4.89 116.67 126.88 3hf9 s ASP 185 Ca 0.66 -0.66 0.07 0.00 2.13 0.00 0.00 52.55 54.76 3hf9 s ASP 185 Cb -0.27 -2.48 0.20 0.00 -1.45 0.00 0.00 42.92 38.93 3hf9 s ASP 185 CO 0.25 -1.54 1.52 -0.07 0.13 0.00 0.00 175.17 175.45 3hf9 h LEU 186 N 11.88 0.10 -0.38 -1.34 3.38 -1.93 0.84 115.31 127.86 3hf9 h LEU 186 Ca -0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3hf9 h LEU 186 Cb 1.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3hf9 h LEU 186 CO 1.20 0.77 0.16 0.58 0.09 0.00 0.00 178.44 181.24 3hf9 h VAL 187 N 0.06 1.18 0.00 1.22 2.07 -1.97 -3.03 116.25 115.77 3hf9 h VAL 187 Ca -0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3hf9 h VAL 187 Cb 1.25 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3hf9 h VAL 187 CO 0.10 0.20 -0.70 0.54 0.02 0.00 0.00 177.57 177.72 3hf9 n ARG 188 N -4.68 0.12 -3.12 1.57 1.74 -1.23 -4.99 116.66 106.07 3hf9 n ARG 188 Ca -0.00 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 3hf9 n ARG 188 Cb 0.13 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3hf9 n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hf9 n GLY 189 N 1.44 -0.03 3.25 -0.13 0.00 0.23 -5.03 105.19 104.92 3hf9 n GLY 189 Ca 0.04 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3hf9 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hf9 s ILE 190 N -3.21 2.69 0.35 -0.61 1.01 -0.84 -5.02 121.20 115.58 3hf9 s ILE 190 Ca 0.27 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3hf9 s ILE 190 Cb -0.12 -2.16 -0.07 0.00 0.01 0.00 0.00 42.46 40.13 3hf9 s ILE 190 CO 0.47 0.50 0.03 -0.36 0.00 0.00 0.00 174.94 175.58 3hf9 s PHE 191 N 1.04 2.18 0.69 3.97 0.40 -1.26 -1.70 117.98 123.29 3hf9 s PHE 191 Ca -0.01 -0.83 -0.16 0.00 -0.60 0.00 0.00 56.93 55.33 3hf9 s PHE 191 Cb -0.15 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.94 3hf9 s PHE 191 CO -0.03 0.20 1.20 -2.14 0.70 0.00 0.00 175.22 175.15 3hf9 s PRO 192 N -3.81 2.41 0.15 0.24 0.02 -1.26 -4.79 135.00 127.96 3hf9 s PRO 192 Ca 0.36 1.76 -0.10 0.00 0.02 0.00 0.00 61.00 63.03 3hf9 s PRO 192 Cb 0.09 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 3hf9 s PRO 192 CO 0.16 -1.63 0.48 0.95 -0.33 0.00 0.00 177.00 176.64 3hf9 s THR 193 N -1.90 4.99 0.12 0.99 -4.23 -0.82 -4.91 115.64 109.88 3hf9 s THR 193 Ca 0.75 0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 61.74 3hf9 s THR 193 Cb -0.29 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3hf9 s THR 193 CO 0.42 0.13 0.05 0.00 -0.54 0.00 0.00 174.62 174.68 3hf9 s ALA 194 N -1.59 0.76 -0.04 3.99 0.00 -1.26 -1.42 121.76 122.21 3hf9 s ALA 194 Ca 0.40 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3hf9 s ALA 194 Cb -0.13 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.79 3hf9 s ALA 194 CO 0.20 -0.48 0.08 0.08 0.00 0.00 0.00 175.76 175.65 3hf9 s VAL 195 N -4.02 -0.05 -0.10 0.00 1.01 0.20 -1.73 120.40 115.72 3hf9 s VAL 195 Ca 0.21 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3hf9 s VAL 195 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 3hf9 s VAL 195 CO -0.00 0.07 -0.17 -0.63 0.00 0.00 0.00 175.10 174.37 3hf9 s ILE 196 N 0.99 2.75 -0.12 2.22 1.01 -0.35 -1.32 121.20 126.37 3hf9 s ILE 196 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3hf9 s ILE 196 Cb -0.11 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 3hf9 s ILE 196 CO -0.04 0.55 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 3hf9 s ILE 197 N 0.09 2.39 0.36 2.92 1.01 0.35 -1.13 121.20 127.20 3hf9 s ILE 197 Ca -0.08 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.75 3hf9 s ILE 197 Cb -0.15 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3hf9 s ILE 197 CO 0.05 0.54 0.25 -0.90 0.00 0.00 0.00 174.94 174.88 3hf9 n ASP 198 N 3.62 -0.15 -0.19 3.58 5.68 -0.89 -1.60 116.55 126.60 3hf9 n ASP 198 Ca -0.19 -3.23 0.06 0.00 -0.50 0.00 0.00 54.79 50.93 3hf9 n ASP 198 Cb 0.53 1.51 0.34 0.00 -1.14 0.00 0.00 41.12 42.36 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hf9 h ALA 199 N 1.97 1.67 -0.75 2.12 0.00 -1.94 -0.47 119.26 121.87 3hf9 h ALA 199 Ca -0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3hf9 h ALA 199 Cb 1.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3hf9 h ALA 199 CO 0.40 0.22 0.33 -0.44 0.00 0.00 0.00 179.25 179.75 3hf9 h ASP 200 N 0.79 1.01 -1.83 0.00 3.45 -1.95 -3.49 116.42 114.39 3hf9 h ASP 200 Ca 0.31 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3hf9 h ASP 200 Cb 0.22 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3hf9 h ASP 200 CO -0.10 0.88 0.00 0.61 -1.57 0.00 0.00 179.24 179.06 3hf9 n GLY 201 N -0.98 -1.01 3.65 2.75 0.00 -0.19 -5.07 105.19 104.35 3hf9 n GLY 201 Ca 0.07 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 3hf9 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hf9 s ALA 202 N -1.46 3.56 0.01 4.61 0.00 0.79 -2.10 121.76 127.17 3hf9 s ALA 202 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3hf9 s ALA 202 Cb 0.00 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 3hf9 s ALA 202 CO 0.00 -0.45 -0.13 0.08 0.00 0.00 0.00 175.76 175.26 3hf9 s VAL 203 N 1.64 1.04 0.11 0.00 1.01 -0.28 -4.98 120.40 118.93 3hf9 s VAL 203 Ca 0.21 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3hf9 s VAL 203 Cb -0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 3hf9 s VAL 203 CO 0.09 0.17 1.17 -1.81 0.00 0.00 0.00 175.10 174.72 3hf9 s ASP 204 N -0.63 7.12 0.03 3.32 1.01 -1.26 -1.22 116.67 125.05 3hf9 s ASP 204 Ca 0.03 2.07 -0.30 0.00 0.71 0.00 0.00 52.55 55.07 3hf9 s ASP 204 Cb -0.06 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3hf9 s ASP 204 CO 0.00 -0.39 1.04 -0.69 0.21 0.00 0.00 175.17 175.34 3hf9 s VAL 205 N 0.53 4.59 0.28 -1.27 1.01 -0.70 -4.90 120.40 119.94 3hf9 s VAL 205 Ca 0.55 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 64.13 3hf9 s VAL 205 Cb -0.30 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 3hf9 s VAL 205 CO 0.32 0.17 1.28 -2.84 0.00 0.00 0.00 175.10 174.03 3hf9 s PRO 206 N 0.87 4.41 0.41 2.72 0.02 -1.26 -4.50 135.00 137.67 3hf9 s PRO 206 Ca 0.53 2.11 0.10 0.00 0.02 0.00 0.00 61.00 63.76 3hf9 s PRO 206 Cb -0.24 -3.12 0.92 0.00 0.02 0.00 0.00 34.50 32.08 3hf9 s PRO 206 CO 0.29 -0.15 2.01 1.49 -0.33 0.00 0.00 177.00 180.30 3hf9 h GLU 207 N 4.06 0.50 -0.53 5.54 4.81 -1.94 -2.05 114.58 124.97 3hf9 h GLU 207 Ca -0.47 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.81 3hf9 h GLU 207 Cb 1.22 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.39 3hf9 h GLU 207 CO 0.69 0.33 -0.41 0.77 -0.73 0.00 0.00 179.01 179.66 3hf9 h SER 208 N 0.51 -1.41 -0.35 1.04 0.02 -1.98 0.22 113.55 111.60 3hf9 h SER 208 Ca 0.23 0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.45 3hf9 h SER 208 Cb 0.27 0.64 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3hf9 h SER 208 CO -0.06 -0.34 0.23 -0.09 -1.14 0.00 0.00 176.83 175.43 3hf9 h ARG 209 N -0.25 0.34 0.00 3.45 1.12 -1.76 0.27 114.38 117.56 3hf9 h ARG 209 Ca 0.18 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.00 3hf9 h ARG 209 Cb 0.57 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.45 3hf9 h ARG 209 CO -0.65 0.22 -0.11 0.82 -3.11 0.00 0.00 179.97 177.14 3hf9 h ILE 210 N 0.35 1.60 -0.68 1.20 2.04 -1.37 -2.81 117.51 117.84 3hf9 h ILE 210 Ca 0.14 -2.24 0.12 0.00 1.00 0.00 0.00 64.86 63.88 3hf9 h ILE 210 Cb 0.14 3.07 -0.13 0.00 -0.74 0.00 0.00 36.82 39.16 3hf9 h ILE 210 CO -0.03 0.54 -0.29 0.00 0.00 0.00 0.00 178.15 178.37 3hf9 h ALA 211 N -0.11 0.16 -0.71 1.87 0.00 -0.33 0.35 119.26 120.48 3hf9 h ALA 211 Ca -0.03 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.23 3hf9 h ALA 211 Cb 0.96 0.73 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 3hf9 h ALA 211 CO -0.02 -0.58 -0.26 0.93 0.00 0.00 0.00 179.25 179.32 3hf9 h GLU 212 N -0.09 -0.06 -0.25 0.00 5.08 -0.55 -1.63 114.58 117.09 3hf9 h GLU 212 Ca 0.28 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.45 3hf9 h GLU 212 Cb 0.55 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hf9 h GLU 212 CO -0.74 -0.04 -0.61 -0.07 -1.00 0.00 0.00 179.01 176.55 3hf9 h LEU 213 N -0.06 0.94 -0.10 1.33 3.38 -0.75 -2.31 115.31 117.75 3hf9 h LEU 213 Ca 0.31 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3hf9 h LEU 213 Cb 0.56 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3hf9 h LEU 213 CO -0.76 1.33 -0.28 0.00 0.09 0.00 0.00 178.44 178.82 3hf9 h ALA 214 N 0.68 -0.65 -0.56 1.53 0.00 -0.09 0.27 119.26 120.44 3hf9 h ALA 214 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.99 3hf9 h ALA 214 Cb 1.22 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 19.75 3hf9 h ALA 214 CO 0.13 -0.76 0.07 0.00 0.00 0.00 0.00 179.25 178.69 3hf9 h ARG 215 N -0.29 0.19 -0.60 0.00 3.08 -1.38 0.45 114.38 115.84 3hf9 h ARG 215 Ca 0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 3hf9 h ARG 215 Cb 0.35 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3hf9 h ARG 215 CO -0.24 0.12 0.30 0.00 -1.07 0.00 0.00 179.97 179.08 3hf9 h ALA 216 N 1.47 0.78 -0.17 0.04 0.00 -1.04 0.25 119.26 120.60 3hf9 h ALA 216 Ca 0.29 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hf9 h ALA 216 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hf9 h ALA 216 CO -0.42 -0.05 0.09 0.82 0.00 0.00 0.00 179.25 179.69 3hf9 h ILE 217 N 0.56 1.10 -0.32 0.00 2.04 0.34 -2.18 117.51 119.04 3hf9 h ILE 217 Ca 0.27 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3hf9 h ILE 217 Cb 0.21 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3hf9 h ILE 217 CO -0.20 0.09 0.10 0.40 0.00 0.00 0.00 178.15 178.55 3hf9 h ILE 218 N 0.17 1.20 -0.52 -0.67 2.04 -0.13 -2.18 117.51 117.41 3hf9 h ILE 218 Ca 0.06 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 3hf9 h ILE 218 Cb 0.07 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3hf9 h ILE 218 CO -0.01 0.22 0.03 -0.33 0.00 0.00 0.00 178.15 178.06 3hf9 h GLU 219 N 0.35 0.87 0.00 2.37 5.08 -0.44 -2.71 114.58 120.10 3hf9 h GLU 219 Ca 0.10 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3hf9 h GLU 219 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hf9 h GLU 219 CO -0.00 0.85 0.00 0.66 -1.00 0.00 0.00 179.01 179.51 3hf9 h SER 220 N 0.81 0.00 -0.33 1.42 4.64 -0.76 -1.50 113.55 117.83 3hf9 h SER 220 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hf9 h SER 220 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hf9 h SER 220 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 3hf9 n ARG 221 N -3.03 2.21 0.00 4.77 1.74 -1.02 -5.11 116.66 116.22 3hf9 n ARG 221 Ca -0.00 -1.37 0.02 0.00 -0.77 0.00 0.00 57.85 55.73 3hf9 n ARG 221 Cb 0.23 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54