#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 2.33 0.02 12.58 -1.09 -0.36 -2.49 121.20 132.19 3hf9 s ILE 3 Ca 0.00 -1.24 0.03 0.00 -2.23 0.00 0.00 60.65 57.21 3hf9 s ILE 3 Cb 0.00 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 38.96 3hf9 s ILE 3 CO 0.00 0.42 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.33 3hf9 s VAL 4 N -0.79 0.83 -0.09 2.92 1.01 -0.07 -1.55 120.40 122.65 3hf9 s VAL 4 Ca 0.12 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3hf9 s VAL 4 Cb -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.56 3hf9 s VAL 4 CO 0.02 0.02 0.23 0.00 0.00 0.00 0.00 175.10 175.37 3hf9 s ALA 5 N -0.65 -0.55 0.01 5.51 0.00 -0.47 -1.02 121.76 124.58 3hf9 s ALA 5 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 3hf9 s ALA 5 Cb -0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3hf9 s ALA 5 CO 0.00 -0.13 0.09 -0.48 0.00 0.00 0.00 175.76 175.24 3hf9 s LEU 6 N 0.37 1.76 0.03 0.00 0.05 -0.52 -0.94 118.68 119.43 3hf9 s LEU 6 Ca -0.02 -0.27 -0.22 0.00 0.05 0.00 0.00 54.13 53.67 3hf9 s LEU 6 Cb -0.04 0.49 -0.06 0.00 -2.05 0.00 0.00 46.19 44.53 3hf9 s LEU 6 CO -0.02 -0.33 0.66 -0.54 -0.55 0.00 0.00 176.35 175.57 3hf9 s LYS 7 N -1.32 4.38 0.49 1.48 1.02 0.47 -1.33 119.74 124.93 3hf9 s LYS 7 Ca -0.14 0.86 0.02 0.00 0.02 0.00 0.00 55.97 56.74 3hf9 s LYS 7 Cb -0.08 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3hf9 s LYS 7 CO 0.01 0.38 0.01 1.52 -0.92 0.00 0.00 175.35 176.34 3hf9 s TYR 8 N -0.30 1.99 -0.39 3.18 -0.85 -0.60 -4.94 117.35 115.44 3hf9 s TYR 8 Ca 0.33 -0.91 -0.28 0.00 -0.52 0.00 0.00 57.07 55.70 3hf9 s TYR 8 Cb -0.19 -1.64 -0.01 0.00 0.38 0.00 0.00 41.96 40.50 3hf9 s TYR 8 CO 0.20 0.27 1.69 -2.14 -1.52 0.00 0.00 175.55 174.04 3hf9 s PRO 9 N -3.84 3.31 0.00 -3.49 0.02 -1.26 -2.31 135.00 127.43 3hf9 s PRO 9 Ca 0.12 1.17 0.00 0.00 0.02 0.00 0.00 61.00 62.31 3hf9 s PRO 9 Cb 0.03 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.38 3hf9 s PRO 9 CO 0.06 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.26 3hf9 n GLY 10 N 5.36 0.64 0.00 0.52 0.00 0.60 -4.75 105.19 107.56 3hf9 n GLY 10 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.23 0.86 3.18 -0.02 0.00 -0.98 -3.98 105.19 103.03 3hf9 n GLY 11 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.28 0.91 -0.00 1.61 -7.23 -0.57 -1.55 120.40 111.29 3hf9 s VAL 12 Ca 0.00 -1.74 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 3hf9 s VAL 12 Cb 0.00 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3hf9 s VAL 12 CO 0.00 -0.64 -0.18 0.54 -0.31 0.00 0.00 175.10 174.51 3hf9 s VAL 13 N -2.76 1.42 -0.01 1.32 0.11 -0.44 -0.63 120.40 119.40 3hf9 s VAL 13 Ca 0.08 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.31 3hf9 s VAL 13 Cb -0.01 -1.19 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 3hf9 s VAL 13 CO -0.01 0.33 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.68 3hf9 s MET 14 N -0.59 0.82 -0.01 1.54 1.75 -0.48 -1.44 119.30 120.89 3hf9 s MET 14 Ca 0.07 -0.33 -0.07 0.00 -1.25 0.00 0.00 55.69 54.10 3hf9 s MET 14 Cb -0.07 -0.78 0.00 0.00 2.84 0.00 0.00 34.83 36.82 3hf9 s MET 14 CO -0.00 0.18 0.15 0.00 -0.65 0.00 0.00 175.02 174.70 3hf9 s ALA 15 N -0.12 -0.35 -0.11 4.11 0.00 -0.19 -0.33 121.76 124.76 3hf9 s ALA 15 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 3hf9 s ALA 15 Cb -0.05 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3hf9 s ALA 15 CO -0.00 -0.19 0.31 0.20 0.00 0.00 0.00 175.76 176.08 3hf9 s GLY 16 N -1.13 -0.23 1.23 0.00 0.00 -0.34 -0.89 107.32 105.96 3hf9 s GLY 16 Ca -0.12 0.85 -0.19 0.00 0.00 0.00 0.00 44.72 45.26 3hf9 s GLY 16 CO 0.01 0.72 1.06 0.51 0.00 0.00 0.00 173.10 175.41 3hf9 s ASP 17 N 0.08 0.64 0.00 1.64 3.84 -1.04 -2.03 116.67 119.79 3hf9 s ASP 17 Ca -0.01 0.78 0.04 0.00 -0.00 0.00 0.00 52.55 53.36 3hf9 s ASP 17 Cb -0.02 -1.12 0.06 0.00 -1.38 0.00 0.00 42.92 40.46 3hf9 s ASP 17 CO 0.01 -4.31 0.78 0.54 -0.00 0.00 0.00 175.17 172.18 3hf9 n ARG 18 N -4.91 0.62 -2.38 2.11 5.12 -1.26 -4.54 116.66 111.42 3hf9 n ARG 18 Ca 0.12 -1.05 -0.28 0.00 -1.93 0.00 0.00 57.85 54.70 3hf9 n ARG 18 Cb 0.59 -1.09 0.01 0.00 -1.16 0.00 0.00 32.46 30.81 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 -0.56 3.41 -0.22 5.56 6.06 -1.26 -1.64 118.95 130.30 3hf9 s ARG 19 Ca 0.06 0.30 -0.17 0.00 -2.50 0.00 0.00 55.73 53.43 3hf9 s ARG 19 Cb 0.04 -2.27 0.06 0.00 0.06 0.00 0.00 34.95 32.84 3hf9 s ARG 19 CO 0.06 -0.42 0.56 -1.54 -2.50 0.00 0.00 175.30 171.46 3hf9 s SER 20 N -4.17 -0.65 0.23 -2.12 1.04 -0.99 -4.85 113.70 102.18 3hf9 s SER 20 Ca 0.51 1.17 0.10 0.00 0.48 0.00 0.00 55.95 58.21 3hf9 s SER 20 Cb -0.11 1.13 -0.04 0.00 0.10 0.00 0.00 66.02 67.10 3hf9 s SER 20 CO 0.47 -0.21 -0.12 0.42 0.98 0.00 0.00 173.24 174.78 3hf9 s THR 21 N 0.80 2.92 -0.56 2.02 -4.23 -1.26 -0.87 115.64 114.47 3hf9 s THR 21 Ca -0.04 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3hf9 s THR 21 Cb -0.05 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.43 3hf9 s THR 21 CO -0.06 -0.26 0.31 -1.58 -0.54 0.00 0.00 174.62 172.49 3hf9 s GLN 22 N -3.21 2.03 7.58 3.99 0.74 -0.07 -4.82 119.66 125.90 3hf9 s GLN 22 Ca 0.27 -2.75 0.00 0.00 0.05 0.00 0.00 55.36 52.94 3hf9 s GLN 22 Cb -0.07 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.78 3hf9 s GLN 22 CO 0.15 -1.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 3hf9 n GLY 23 N 2.87 2.22 0.10 2.59 0.00 -1.26 -2.93 105.19 108.78 3hf9 n GLY 23 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.84 1.61 2.35 -2.02 -3.47 115.58 110.21 3hf9 h ASN 24 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 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 0.57 0.55 -0.04 -1.65 0.00 0.00 177.43 176.86 3hf9 s MET 25 N -2.93 4.51 -0.29 0.81 -1.94 -1.15 -4.98 119.30 113.34 3hf9 s MET 25 Ca -0.02 1.99 -0.26 0.00 -1.71 0.00 0.00 55.69 55.70 3hf9 s MET 25 Cb 0.09 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.79 3hf9 s MET 25 CO 0.80 0.03 0.90 0.42 -0.01 0.00 0.00 175.02 177.17 3hf9 s ILE 26 N -1.15 4.71 -0.85 2.53 1.01 -1.26 -0.90 121.20 125.29 3hf9 s ILE 26 Ca 0.46 1.51 0.15 0.00 0.00 0.00 0.00 60.65 62.78 3hf9 s ILE 26 Cb -0.36 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 37.75 3hf9 s ILE 26 CO 0.46 -0.27 0.67 -1.54 0.00 0.00 0.00 174.94 174.27 3hf9 n SER 27 N 6.35 0.88 -3.68 3.58 3.41 -0.05 -4.92 113.62 119.21 3hf9 n SER 27 Ca 0.07 -0.94 -0.14 0.00 -0.26 0.00 0.00 58.87 57.60 3hf9 n SER 27 Cb 0.47 0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.29 -0.42 0.00 5.00 0.00 -0.86 -4.94 107.32 103.81 3hf9 s GLY 28 Ca 0.07 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.37 3hf9 s GLY 28 CO 0.56 1.34 0.35 0.54 0.00 0.00 0.00 173.10 175.89 3hf9 n ARG 29 N 2.70 2.22 0.00 2.90 1.74 -1.26 -2.36 116.66 122.60 3hf9 n ARG 29 Ca -0.14 -0.35 0.01 0.00 -0.77 0.00 0.00 57.85 56.60 3hf9 n ARG 29 Cb 0.56 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.37 0.77 -4.68 0.55 5.68 -1.12 -4.60 116.55 112.78 3hf9 n ASP 30 Ca 0.01 -0.89 -0.46 0.00 -0.50 0.00 0.00 54.79 52.95 3hf9 n ASP 30 Cb 0.03 0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.27 0.49 -3.26 2.12 0.31 -0.65 -4.98 118.33 112.07 3hf9 n VAL 31 Ca 0.01 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 3hf9 n VAL 31 Cb 0.03 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 30.94 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 3.39 4.26 -0.00 5.55 0.52 -1.26 -4.27 118.95 127.13 3hf9 s ARG 32 Ca 0.88 0.45 0.06 0.00 -0.52 0.00 0.00 55.73 56.60 3hf9 s ARG 32 Cb -0.60 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.28 3hf9 s ARG 32 CO 0.45 -0.02 0.20 1.63 0.02 0.00 0.00 175.30 177.58 3hf9 n LYS 33 N 4.32 2.83 -4.28 3.54 5.02 -1.26 -4.74 118.16 123.58 3hf9 n LYS 33 Ca -0.05 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 3hf9 n LYS 33 Cb 0.51 -0.95 -0.14 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.96 3.37 0.14 -0.18 1.01 -1.26 -2.63 120.40 118.88 3hf9 s VAL 34 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3hf9 s VAL 34 Cb 0.04 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3hf9 s VAL 34 CO 0.26 0.47 -0.12 -0.31 0.00 0.00 0.00 175.10 175.39 3hf9 s TYR 35 N 0.90 1.36 -0.48 5.22 1.51 -0.36 -4.98 117.35 120.52 3hf9 s TYR 35 Ca -0.01 -0.63 -0.20 0.00 -1.01 0.00 0.00 57.07 55.22 3hf9 s TYR 35 Cb -0.15 -0.69 0.04 0.00 -0.11 0.00 0.00 41.96 41.05 3hf9 s TYR 35 CO 0.01 0.14 0.63 0.42 -1.11 0.00 0.00 175.55 175.63 3hf9 s ILE 36 N -2.62 4.86 0.17 2.71 1.01 -1.26 -1.15 121.20 124.91 3hf9 s ILE 36 Ca 0.12 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 3hf9 s ILE 36 Cb -0.02 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.23 3hf9 s ILE 36 CO 0.02 -0.72 1.60 0.71 0.00 0.00 0.00 174.94 176.56 3hf9 h THR 37 N 5.86 1.27 -2.70 2.92 1.35 -1.53 -3.48 112.91 116.59 3hf9 h THR 37 Ca -0.27 -1.23 -0.07 0.00 -0.55 0.00 0.00 66.41 64.29 3hf9 h THR 37 Cb 1.10 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3hf9 h THR 37 CO 0.93 0.44 0.03 -0.90 -0.25 0.00 0.00 175.52 175.77 3hf9 n ASP 38 N -4.17 -0.86 -0.38 5.36 5.75 -0.84 -4.27 116.55 117.14 3hf9 n ASP 38 Ca 0.02 -1.81 -0.01 0.00 -0.01 0.00 0.00 54.79 52.98 3hf9 n ASP 38 Cb 0.39 1.49 0.13 0.00 -1.03 0.00 0.00 41.12 42.10 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 0.92 1.12 -0.34 -1.12 3.32 -1.95 -3.12 116.42 115.27 3hf9 h ASP 39 Ca -0.14 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3hf9 h ASP 39 Cb 0.57 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3hf9 h ASP 39 CO 0.19 0.79 0.00 -1.22 -1.72 0.00 0.00 179.24 177.27 3hf9 n TYR 40 N -4.42 0.45 -4.06 4.55 4.02 -1.26 -1.11 117.16 115.33 3hf9 n TYR 40 Ca 0.13 -0.47 -0.09 0.00 -0.01 0.00 0.00 57.90 57.46 3hf9 n TYR 40 Cb 0.06 -0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.00 0.29 0.02 -0.72 -4.23 -1.18 -1.34 115.64 107.47 3hf9 s THR 41 Ca 0.23 -1.42 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 3hf9 s THR 41 Cb 0.12 -0.99 0.01 0.00 1.34 0.00 0.00 72.50 72.98 3hf9 s THR 41 CO 0.16 -0.73 0.24 0.00 -0.54 0.00 0.00 174.62 173.74 3hf9 s ALA 42 N -2.71 -0.53 0.00 3.99 0.00 -0.39 -1.33 121.76 120.79 3hf9 s ALA 42 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3hf9 s ALA 42 Cb -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3hf9 s ALA 42 CO -0.05 -0.31 -0.18 0.95 0.00 0.00 0.00 175.76 176.17 3hf9 s THR 43 N -1.94 1.44 0.01 0.00 -4.23 -0.30 -1.34 115.64 109.28 3hf9 s THR 43 Ca -0.10 -0.88 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 3hf9 s THR 43 Cb -0.04 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3hf9 s THR 43 CO -0.00 0.32 -0.26 -0.83 -0.54 0.00 0.00 174.62 173.31 3hf9 s GLY 44 N -0.65 1.35 -0.05 3.99 0.00 -0.63 -1.22 107.32 110.11 3hf9 s GLY 44 Ca 0.07 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.63 3hf9 s GLY 44 CO 0.00 -1.04 -0.18 -0.42 0.00 0.00 0.00 173.10 171.45 3hf9 s ILE 45 N -0.72 1.53 -1.42 0.90 1.09 -1.08 -1.18 121.20 120.33 3hf9 s ILE 45 Ca 0.11 -0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 58.80 3hf9 s ILE 45 Cb -0.10 -1.32 0.06 0.00 -1.06 0.00 0.00 42.46 40.04 3hf9 s ILE 45 CO 0.01 0.44 2.40 0.00 -0.10 0.00 0.00 174.94 177.69 3hf9 n ALA 46 N 3.18 6.48 -3.00 9.38 0.00 -1.26 -4.83 120.51 130.46 3hf9 n ALA 46 Ca -0.18 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.30 3hf9 n ALA 46 Cb 0.53 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 2.88 5.14 3.74 0.00 0.00 -1.26 -4.92 105.19 110.77 3hf9 n GLY 47 Ca 0.60 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.95 2.92 0.24 2.61 -4.23 -1.26 -4.82 115.64 110.15 3hf9 s THR 48 Ca 0.00 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 3hf9 s THR 48 Cb 0.00 -2.77 0.21 0.00 1.34 0.00 0.00 72.50 71.27 3hf9 s THR 48 CO 0.00 -0.39 1.79 0.00 -0.54 0.00 0.00 174.62 175.49 3hf9 h ALA 49 N -1.39 1.13 -0.16 3.99 0.00 -1.96 -2.72 119.26 118.15 3hf9 h ALA 49 Ca -0.47 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3hf9 h ALA 49 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hf9 h ALA 49 CO 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 3hf9 h ALA 50 N 1.46 0.22 -0.68 0.00 0.00 -1.92 -2.83 119.26 115.51 3hf9 h ALA 50 Ca 0.39 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3hf9 h ALA 50 Cb 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3hf9 h ALA 50 CO -0.27 -0.06 0.35 0.28 0.00 0.00 0.00 179.25 179.55 3hf9 h VAL 51 N 0.03 0.89 -0.51 0.00 2.07 -1.88 0.20 116.25 117.05 3hf9 h VAL 51 Ca 0.05 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3hf9 h VAL 51 Cb 0.40 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hf9 h VAL 51 CO 0.01 0.11 0.21 0.00 0.02 0.00 0.00 177.57 177.92 3hf9 h ALA 52 N 1.40 0.66 0.22 1.67 0.00 -1.37 -2.06 119.26 119.77 3hf9 h ALA 52 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 52 Cb 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hf9 h ALA 52 CO -0.24 0.26 -0.11 0.28 0.00 0.00 0.00 179.25 179.44 3hf9 h VAL 53 N 0.68 0.61 -0.96 0.00 2.07 -1.24 -2.63 116.25 114.78 3hf9 h VAL 53 Ca 0.17 -0.98 0.18 0.00 0.82 0.00 0.00 66.70 66.89 3hf9 h VAL 53 Cb 0.18 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3hf9 h VAL 53 CO -0.02 0.16 0.61 -0.33 0.02 0.00 0.00 177.57 178.01 3hf9 h GLU 54 N -0.93 0.66 0.25 1.57 4.39 -0.62 0.61 114.58 120.52 3hf9 h GLU 54 Ca -0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3hf9 h GLU 54 Cb 0.48 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3hf9 h GLU 54 CO 0.05 0.44 -0.12 0.35 -1.16 0.00 0.00 179.01 178.57 3hf9 h PHE 55 N 0.68 -0.31 -0.50 4.33 3.04 -1.46 -1.99 116.94 120.73 3hf9 h PHE 55 Ca 0.51 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.55 3hf9 h PHE 55 Cb 0.89 0.10 -0.08 0.00 2.56 0.00 0.00 35.95 39.43 3hf9 h PHE 55 CO -0.00 0.06 0.04 0.00 -2.02 0.00 0.00 178.31 176.38 3hf9 h ALA 56 N -0.37 0.50 -0.43 2.41 0.00 -0.88 -0.85 119.26 119.64 3hf9 h ALA 56 Ca -0.03 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 56 Cb 0.51 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3hf9 h ALA 56 CO 0.06 -0.36 -0.01 -0.09 0.00 0.00 0.00 179.25 178.85 3hf9 h ARG 57 N 0.15 0.10 -0.39 0.00 2.43 0.17 0.11 114.38 116.95 3hf9 h ARG 57 Ca 0.25 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3hf9 h ARG 57 Cb 0.37 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3hf9 h ARG 57 CO -0.39 0.06 0.23 1.25 -1.51 0.00 0.00 179.97 179.62 3hf9 h LEU 58 N 0.10 0.47 -0.30 3.80 5.85 -0.54 -2.20 115.31 122.50 3hf9 h LEU 58 Ca 0.21 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hf9 h LEU 58 Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3hf9 h LEU 58 CO -0.36 0.40 0.14 0.22 -0.34 0.00 0.00 178.44 178.50 3hf9 h TYR 59 N 0.51 0.43 -0.88 1.25 3.20 -0.61 -1.29 116.97 119.57 3hf9 h TYR 59 Ca 0.14 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3hf9 h TYR 59 Cb 0.02 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3hf9 h TYR 59 CO -0.03 0.39 0.58 0.00 -1.64 0.00 0.00 178.16 177.46 3hf9 h ALA 60 N 1.00 1.38 -0.23 1.82 0.00 -0.66 -0.70 119.26 121.87 3hf9 h ALA 60 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 60 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hf9 h ALA 60 CO -0.01 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.19 3hf9 h VAL 61 N 1.18 1.16 -0.12 0.00 2.07 -1.17 -2.00 116.25 117.38 3hf9 h VAL 61 Ca 0.32 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3hf9 h VAL 61 Cb -0.13 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3hf9 h VAL 61 CO -0.07 0.16 -0.25 -0.33 0.02 0.00 0.00 177.57 177.10 3hf9 h GLU 62 N 0.22 -0.31 -0.39 1.57 5.08 -0.36 0.36 114.58 120.76 3hf9 h GLU 62 Ca 0.08 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3hf9 h GLU 62 Cb 0.17 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3hf9 h GLU 62 CO -0.01 -0.21 0.07 -0.07 -1.00 0.00 0.00 179.01 177.80 3hf9 h LEU 63 N -0.32 -0.01 -0.11 1.33 3.38 -1.11 -1.17 115.31 117.30 3hf9 h LEU 63 Ca 0.10 0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.90 3hf9 h LEU 63 Cb 0.47 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hf9 h LEU 63 CO -0.31 0.03 -0.86 -0.08 0.09 0.00 0.00 178.44 177.31 3hf9 h GLU 64 N 0.19 0.76 -0.51 1.13 4.81 -1.15 -2.24 114.58 117.58 3hf9 h GLU 64 Ca 0.19 -0.68 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3hf9 h GLU 64 Cb 0.23 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.67 3hf9 h GLU 64 CO -0.26 1.28 -0.21 1.25 -0.73 0.00 0.00 179.01 180.34 3hf9 h HIS 65 N 0.50 -0.52 -0.70 0.92 2.76 -0.07 0.20 115.15 118.23 3hf9 h HIS 65 Ca -0.08 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.15 3hf9 h HIS 65 Cb 1.50 0.31 -0.04 0.00 1.55 0.00 0.00 27.41 30.73 3hf9 h HIS 65 CO 0.09 -0.30 0.47 -0.92 -1.30 0.00 0.00 177.93 175.97 3hf9 h TYR 66 N -0.09 0.88 -0.67 5.26 3.20 -1.00 -1.91 116.97 122.64 3hf9 h TYR 66 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 3hf9 h TYR 66 Cb 0.46 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3hf9 h TYR 66 CO -0.50 0.55 0.37 1.49 -1.64 0.00 0.00 178.16 178.44 3hf9 h GLU 67 N 0.95 0.94 -0.45 1.82 4.81 -0.75 -0.72 114.58 121.18 3hf9 h GLU 67 Ca 0.26 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3hf9 h GLU 67 Cb -0.10 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 3hf9 h GLU 67 CO -0.06 0.71 -0.02 0.87 -0.73 0.00 0.00 179.01 179.78 3hf9 h LYS 68 N 0.92 0.75 -0.22 1.92 1.57 -0.75 0.82 116.57 121.59 3hf9 h LYS 68 Ca 0.24 -0.21 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 3hf9 h LYS 68 Cb 0.04 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.27 3hf9 h LYS 68 CO -0.04 0.78 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.90 3hf9 h LEU 69 N 0.70 0.95 -1.06 2.94 3.38 -1.04 -3.35 115.31 117.82 3hf9 h LEU 69 Ca 0.14 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hf9 h LEU 69 Cb 0.46 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hf9 h LEU 69 CO 0.02 1.36 -0.18 -0.62 0.09 0.00 0.00 178.44 179.11 3hf9 n GLU 70 N -3.99 1.56 0.00 1.13 -0.58 -0.30 -4.98 120.64 113.47 3hf9 n GLU 70 Ca -0.06 -0.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.76 3hf9 n GLU 70 Cb 0.68 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 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 0.95 2.87 3.26 0.62 0.00 0.27 -4.97 105.19 108.19 3hf9 n GLY 71 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.30 1.11 0.60 1.61 -7.23 -1.24 -4.95 120.40 109.00 3hf9 s VAL 72 Ca 0.00 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 3hf9 s VAL 72 Cb 0.00 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 3hf9 s VAL 72 CO 0.00 -0.66 1.06 -2.84 -0.31 0.00 0.00 175.10 172.34 3hf9 s PRO 73 N -3.78 3.29 0.74 4.82 0.02 -1.26 -4.02 135.00 134.81 3hf9 s PRO 73 Ca 0.19 1.17 -0.15 0.00 0.02 0.00 0.00 61.00 62.23 3hf9 s PRO 73 Cb 0.03 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.57 3hf9 s PRO 73 CO 0.02 -0.83 1.23 -0.51 -0.33 0.00 0.00 177.00 176.57 3hf9 s LEU 74 N -4.61 3.31 0.84 -5.54 1.43 -1.26 -5.00 118.68 107.85 3hf9 s LEU 74 Ca 0.63 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 56.05 3hf9 s LEU 74 Cb -0.16 -4.60 0.10 0.00 0.03 0.00 0.00 46.19 41.57 3hf9 s LEU 74 CO 0.39 -2.36 1.10 0.42 0.23 0.00 0.00 176.35 176.13 3hf9 s THR 75 N -1.90 2.91 0.21 5.49 -4.23 -1.26 -4.72 115.64 112.14 3hf9 s THR 75 Ca 0.76 0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 61.48 3hf9 s THR 75 Cb -0.31 -2.70 0.15 0.00 1.34 0.00 0.00 72.50 70.98 3hf9 s THR 75 CO 0.46 -0.38 1.75 0.15 -0.54 0.00 0.00 174.62 176.06 3hf9 h PHE 76 N -1.41 0.46 -0.77 3.99 3.57 -1.95 0.98 116.94 121.81 3hf9 h PHE 76 Ca -0.46 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.19 3hf9 h PHE 76 Cb 1.25 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 3hf9 h PHE 76 CO 0.51 0.14 0.38 0.00 -2.23 0.00 0.00 178.31 177.11 3hf9 h ALA 77 N 1.42 1.11 -0.63 2.41 0.00 -1.99 -0.73 119.26 120.85 3hf9 h ALA 77 Ca 0.32 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.31 3hf9 h ALA 77 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hf9 h ALA 77 CO -0.29 -0.08 0.41 0.78 0.00 0.00 0.00 179.25 180.07 3hf9 h GLY 78 N 0.59 0.89 0.53 0.00 0.00 -1.20 -0.35 103.07 103.53 3hf9 h GLY 78 Ca 0.40 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.47 3hf9 h GLY 78 CO -0.32 0.30 0.02 0.50 0.00 0.00 0.00 176.54 177.03 3hf9 h LYS 79 N 0.83 0.11 -0.83 4.80 1.57 0.20 -1.53 116.57 121.71 3hf9 h LYS 79 Ca 0.24 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3hf9 h LYS 79 Cb -0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3hf9 h LYS 79 CO -0.06 0.07 0.47 0.82 -0.57 0.00 0.00 179.45 180.18 3hf9 h ILE 80 N 0.11 1.24 0.45 1.86 2.04 -0.88 -1.95 117.51 120.39 3hf9 h ILE 80 Ca 0.15 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3hf9 h ILE 80 Cb 0.20 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3hf9 h ILE 80 CO -0.24 0.27 -0.22 -1.13 0.00 0.00 0.00 178.15 176.83 3hf9 h ASN 81 N 1.16 -0.51 -0.88 1.72 -1.24 -0.18 0.65 115.58 116.30 3hf9 h ASN 81 Ca 0.30 -0.03 0.09 0.00 0.71 0.00 0.00 56.30 57.37 3hf9 h ASN 81 Cb 0.01 0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 3hf9 h ASN 81 CO -0.05 -0.30 0.53 0.03 -1.29 0.00 0.00 177.43 176.35 3hf9 h ARG 82 N -0.69 0.87 -0.03 6.67 2.47 -1.27 -0.08 114.38 122.32 3hf9 h ARG 82 Ca -0.06 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3hf9 h ARG 82 Cb 0.51 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 3hf9 h ARG 82 CO 0.10 0.58 -0.08 1.25 0.56 0.00 0.00 179.97 182.38 3hf9 h LEU 83 N 0.90 -0.24 -0.64 3.04 6.46 -1.01 -0.70 115.31 123.12 3hf9 h LEU 83 Ca 0.42 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.20 3hf9 h LEU 83 Cb 0.34 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 3hf9 h LEU 83 CO -0.23 -0.12 0.33 0.00 -0.62 0.00 0.00 178.44 177.80 3hf9 h ALA 84 N 0.88 0.82 -0.70 1.25 0.00 0.01 0.18 119.26 121.71 3hf9 h ALA 84 Ca 0.04 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 84 Cb 0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3hf9 h ALA 84 CO -0.10 0.36 0.40 0.82 0.00 0.00 0.00 179.25 180.73 3hf9 h ILE 85 N 0.88 0.99 -0.61 0.00 2.04 -0.86 0.09 117.51 120.04 3hf9 h ILE 85 Ca 0.22 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3hf9 h ILE 85 Cb 0.08 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3hf9 h ILE 85 CO -0.03 0.14 0.23 -0.03 0.00 0.00 0.00 178.15 178.45 3hf9 h MET 86 N 0.75 0.92 -0.04 2.37 4.05 -0.23 -0.70 114.93 122.04 3hf9 h MET 86 Ca 0.31 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3hf9 h MET 86 Cb 0.16 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 3hf9 h MET 86 CO -0.17 0.79 0.01 0.28 0.23 0.00 0.00 176.91 178.05 3hf9 h VAL 87 N 0.85 1.21 0.00 -5.77 2.07 -0.50 -2.40 116.25 111.71 3hf9 h VAL 87 Ca 0.20 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3hf9 h VAL 87 Cb 0.23 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3hf9 h VAL 87 CO -0.01 0.17 -0.07 0.03 0.02 0.00 0.00 177.57 177.71 3hf9 h ARG 88 N -0.17 0.00 -0.41 1.57 3.08 -0.90 -1.67 114.38 115.88 3hf9 h ARG 88 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3hf9 h ARG 88 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3hf9 h ARG 88 CO 0.00 0.07 -0.06 0.78 -1.07 0.00 0.00 179.97 179.69 3hf9 h GLY 89 N 0.25 0.75 1.39 0.04 0.00 -0.64 -2.31 103.07 102.54 3hf9 h GLY 89 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3hf9 h GLY 89 CO 0.01 0.48 -0.53 3.43 0.00 0.00 0.00 176.54 179.93 3hf9 h ASN 90 N 0.64 0.00 1.08 0.19 2.35 -0.93 -3.26 115.58 115.65 3hf9 h ASN 90 Ca 0.12 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hf9 h ASN 90 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3hf9 h ASN 90 CO 0.03 0.04 -0.88 -0.07 -1.65 0.00 0.00 177.43 174.90 3hf9 h LEU 91 N 0.00 0.00 -0.44 1.61 3.38 -1.27 -2.93 115.31 115.67 3hf9 h LEU 91 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hf9 h LEU 91 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hf9 h LEU 91 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3hf9 n ALA 92 N -2.15 2.60 0.00 1.53 0.00 -0.89 -5.10 120.51 116.50 3hf9 n ALA 92 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3hf9 n ALA 92 Cb 0.54 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3hf9 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hf9 n ALA 93 N -0.39 1.94 -2.78 0.00 0.00 -1.11 -5.10 120.51 113.08 3hf9 n ALA 93 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 3hf9 n ALA 93 Cb 0.19 0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.14 4.58 -4.42 0.00 4.77 -1.26 -5.08 117.00 113.46 3hf9 n LEU 99 Ca 0.00 -5.52 -0.44 0.00 -0.03 0.00 0.00 56.01 50.02 3hf9 n LEU 99 Cb 0.40 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3hf9 n LEU 99 CO 0.00 2.32 0.70 0.00 -1.33 0.00 0.00 177.39 179.08 3hf9 s ALA 100 N -3.50 3.40 -0.36 -1.18 0.00 -1.26 -5.02 121.76 113.83 3hf9 s ALA 100 Ca 0.49 -2.47 -0.16 0.00 0.00 0.00 0.00 51.96 49.82 3hf9 s ALA 100 Cb 0.32 -3.80 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 3hf9 s ALA 100 CO -0.16 -2.68 0.38 -0.51 0.00 0.00 0.00 175.76 172.80 3hf9 s LEU 101 N 2.71 4.56 0.80 0.00 2.01 -1.26 -4.99 118.68 122.51 3hf9 s LEU 101 Ca 0.23 -0.36 -0.11 0.00 0.01 0.00 0.00 54.13 53.90 3hf9 s LEU 101 Cb -0.14 -2.35 0.07 0.00 0.01 0.00 0.00 46.19 43.78 3hf9 s LEU 101 CO -0.01 -0.41 1.09 -2.84 1.01 0.00 0.00 176.35 175.20 3hf9 s PRO 102 N 2.05 2.08 -0.07 1.29 0.02 -1.26 -4.34 135.00 134.76 3hf9 s PRO 102 Ca 0.12 0.76 0.01 0.00 0.02 0.00 0.00 61.00 61.90 3hf9 s PRO 102 Cb -0.17 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.47 3hf9 s PRO 102 CO 0.12 -1.65 -0.07 -1.17 -0.33 0.00 0.00 177.00 173.90 3hf9 s LEU 103 N -5.83 1.28 -0.13 -5.54 0.20 -0.32 -3.12 118.68 105.21 3hf9 s LEU 103 Ca 0.61 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 3hf9 s LEU 103 Cb -0.15 -0.68 -0.02 0.00 -0.43 0.00 0.00 46.19 44.91 3hf9 s LEU 103 CO 0.55 -0.07 -0.11 -0.22 -0.29 0.00 0.00 176.35 176.22 3hf9 s LEU 104 N 1.21 2.84 -0.05 -0.68 2.96 0.13 -1.60 118.68 123.49 3hf9 s LEU 104 Ca -0.05 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3hf9 s LEU 104 Cb -0.14 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3hf9 s LEU 104 CO -0.02 0.17 -0.17 0.00 -1.32 0.00 0.00 176.35 175.02 3hf9 s ALA 105 N 0.32 2.55 0.24 5.97 0.00 -0.45 -1.01 121.76 129.39 3hf9 s ALA 105 Ca -0.09 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 3hf9 s ALA 105 Cb -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3hf9 s ALA 105 CO 0.05 0.51 0.53 0.20 0.00 0.00 0.00 175.76 177.05 3hf9 s GLY 106 N -0.57 0.32 -0.07 0.00 0.00 -0.17 -1.26 107.32 105.56 3hf9 s GLY 106 Ca 0.08 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.16 3hf9 s GLY 106 CO 0.01 -0.48 -0.16 -0.47 0.00 0.00 0.00 173.10 172.01 3hf9 s TYR 107 N -3.98 1.75 -0.51 1.90 5.04 -0.45 -0.28 117.35 120.82 3hf9 s TYR 107 Ca 0.18 -0.64 -0.16 0.00 -2.44 0.00 0.00 57.07 54.01 3hf9 s TYR 107 Cb -0.02 -1.23 0.10 0.00 0.35 0.00 0.00 41.96 41.17 3hf9 s TYR 107 CO 0.07 -0.29 0.46 0.34 -1.34 0.00 0.00 175.55 174.78 3hf9 s ASP 108 N 0.48 6.17 0.31 4.32 2.15 -0.46 -4.87 116.67 124.77 3hf9 s ASP 108 Ca -0.14 -1.58 0.04 0.00 0.43 0.00 0.00 52.55 51.30 3hf9 s ASP 108 Cb -0.15 -2.20 0.50 0.00 -0.30 0.00 0.00 42.92 40.77 3hf9 s ASP 108 CO 0.05 -0.77 1.78 0.16 -0.17 0.00 0.00 175.17 176.21 3hf9 h ILE 109 N 5.83 1.25 0.00 4.11 3.07 -1.98 -2.03 117.51 127.76 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 38.95 3hf9 h ILE 109 CO 0.97 0.36 0.00 1.41 -1.05 0.00 0.00 178.15 179.84 3hf9 n HIS 110 N -4.16 0.00 -2.53 0.16 8.25 -1.26 -4.79 115.22 110.88 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 0.36 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.11 3.38 0.09 -1.41 0.00 -0.76 -4.95 121.76 116.00 3hf9 s ALA 111 Ca 0.19 0.83 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 3hf9 s ALA 111 Cb 0.09 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 3hf9 s ALA 111 CO 0.16 -0.09 1.73 0.66 0.00 0.00 0.00 175.76 178.23 3hf9 h SER 112 N 3.80 0.02 -3.47 0.00 4.64 -1.89 -3.40 113.55 113.24 3hf9 h SER 112 Ca -0.46 -0.01 -0.72 0.00 -0.47 0.00 0.00 61.79 60.12 3hf9 h SER 112 Cb 1.21 -0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.07 3hf9 h SER 112 CO 0.67 0.02 -0.43 -0.62 -0.87 0.00 0.00 176.83 175.60 3hf9 s ASP 113 N -5.22 6.00 0.19 4.97 3.68 -1.26 -4.97 116.67 120.06 3hf9 s ASP 113 Ca -0.13 -1.06 0.21 0.00 2.13 0.00 0.00 52.55 53.70 3hf9 s ASP 113 Cb 0.06 -2.12 0.88 0.00 -1.45 0.00 0.00 42.92 40.29 3hf9 s ASP 113 CO 0.66 -0.48 1.63 -2.65 0.13 0.00 0.00 175.17 174.46 3hf9 n PRO 114 N 5.11 0.14 -0.07 4.34 -0.02 -1.26 -2.27 135.00 140.97 3hf9 n PRO 114 Ca -0.11 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.62 3hf9 n PRO 114 Cb 0.46 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 3hf9 n PRO 114 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hf9 h GLN 115 N 0.00 0.65 -0.97 -0.52 1.08 -1.93 -3.29 115.11 110.14 3hf9 h GLN 115 Ca 0.00 -0.39 -0.62 0.00 -1.45 0.00 0.00 58.65 56.19 3hf9 h GLN 115 Cb 0.31 0.03 -0.36 0.00 -0.05 0.00 0.00 27.48 27.42 3hf9 h GLN 115 CO 0.00 1.00 0.04 -1.13 -0.95 0.00 0.00 178.83 177.79 3hf9 n SER 116 N -4.26 6.30 -0.29 1.46 3.41 -0.96 -0.29 113.62 118.98 3hf9 n SER 116 Ca -0.05 -3.77 0.13 0.00 -0.26 0.00 0.00 58.87 54.92 3hf9 n SER 116 Cb 0.51 -0.67 0.45 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.78 2.90 -1.77 7.33 0.00 -1.15 -4.86 120.51 122.18 3hf9 n ALA 117 Ca 0.53 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 3hf9 n ALA 117 Cb 0.78 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.35 2.77 -0.01 0.00 0.00 -1.26 -1.36 107.32 105.11 3hf9 s GLY 118 Ca 0.29 1.00 -0.01 0.00 0.00 0.00 0.00 44.72 46.00 3hf9 s GLY 118 CO 0.46 1.44 0.03 0.50 0.00 0.00 0.00 173.10 175.54 3hf9 s ARG 119 N -2.91 0.03 -0.06 2.90 1.81 0.61 -4.90 118.95 116.44 3hf9 s ARG 119 Ca 0.68 0.06 0.02 0.00 -1.72 0.00 0.00 55.73 54.77 3hf9 s ARG 119 Cb -0.30 -0.01 0.01 0.00 -0.45 0.00 0.00 34.95 34.20 3hf9 s ARG 119 CO 0.36 -0.02 -0.10 0.42 -0.68 0.00 0.00 175.30 175.28 3hf9 s ILE 120 N 0.12 0.95 -0.03 1.52 1.01 -1.26 -1.00 121.20 122.51 3hf9 s ILE 120 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hf9 s ILE 120 Cb -0.01 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3hf9 s ILE 120 CO -0.00 0.31 -0.08 -0.69 0.00 0.00 0.00 174.94 174.48 3hf9 s VAL 121 N 0.67 0.71 0.32 2.92 1.01 -0.18 -1.59 120.40 124.26 3hf9 s VAL 121 Ca -0.13 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3hf9 s VAL 121 Cb -0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.51 3hf9 s VAL 121 CO 0.03 0.24 0.04 -0.94 0.00 0.00 0.00 175.10 174.46 3hf9 s SER 122 N 0.38 2.42 -0.02 3.32 1.04 -0.43 0.19 113.70 120.60 3hf9 s SER 122 Ca -0.06 -1.35 0.07 0.00 0.48 0.00 0.00 55.95 55.09 3hf9 s SER 122 Cb -0.10 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3hf9 s SER 122 CO 0.01 -0.57 -0.22 -0.36 0.98 0.00 0.00 173.24 173.07 3hf9 s PHE 123 N -3.26 2.02 0.78 5.02 0.40 -1.18 -0.98 117.98 120.78 3hf9 s PHE 123 Ca 0.35 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 3hf9 s PHE 123 Cb 0.08 -1.31 0.13 0.00 0.51 0.00 0.00 43.02 42.43 3hf9 s PHE 123 CO 0.15 -0.04 1.08 0.16 0.70 0.00 0.00 175.22 177.27 3hf9 s ASP 124 N -0.50 4.15 0.38 1.36 1.47 -0.72 -4.83 116.67 117.98 3hf9 s ASP 124 Ca 0.08 0.02 0.17 0.00 1.18 0.00 0.00 52.55 54.00 3hf9 s ASP 124 Cb -0.09 -0.40 1.08 0.00 -0.34 0.00 0.00 42.92 43.18 3hf9 s ASP 124 CO -0.01 -2.01 1.73 0.00 0.68 0.00 0.00 175.17 175.56 3hf9 h ALA 125 N -0.83 2.14 -0.60 2.11 0.00 -2.01 -0.64 119.26 119.44 3hf9 h ALA 125 Ca -0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hf9 h ALA 125 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hf9 h ALA 125 CO 0.45 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.09 3hf9 n ALA 126 N -2.42 2.53 -0.96 0.00 0.00 -1.26 -4.92 120.51 113.48 3hf9 n ALA 126 Ca 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3hf9 n ALA 126 Cb 0.91 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.38 0.45 3.75 0.00 0.00 -0.25 -4.99 105.19 105.53 3hf9 n GLY 127 Ca 0.21 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.89 2.28 0.74 -0.02 0.00 -1.26 -4.64 107.32 101.53 3hf9 s GLY 128 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 3hf9 s GLY 128 CO 0.00 0.44 1.08 0.66 0.00 0.00 0.00 173.10 175.27 3hf9 s TRP 129 N 0.24 3.01 -0.20 1.90 1.48 -1.26 -1.75 118.94 122.36 3hf9 s TRP 129 Ca 0.19 1.29 -0.09 0.00 -1.06 0.00 0.00 56.10 56.43 3hf9 s TRP 129 Cb -0.14 -2.99 0.08 0.00 -1.16 0.00 0.00 33.47 29.26 3hf9 s TRP 129 CO 0.06 -1.46 0.47 1.21 -4.06 0.00 0.00 176.95 173.17 3hf9 s ASN 130 N -3.87 -0.53 -0.08 -2.66 3.04 -0.15 -4.88 114.94 105.80 3hf9 s ASN 130 Ca 0.59 1.05 -0.18 0.00 0.04 0.00 0.00 52.86 54.37 3hf9 s ASN 130 Cb -0.14 1.14 -0.05 0.00 -1.54 0.00 0.00 41.25 40.66 3hf9 s ASN 130 CO 0.55 -0.21 0.48 -0.63 -3.04 0.00 0.00 177.10 174.24 3hf9 s ILE 131 N 1.92 5.12 -0.34 -5.21 1.01 -1.26 -1.32 121.20 121.11 3hf9 s ILE 131 Ca -0.07 0.97 -0.22 0.00 0.00 0.00 0.00 60.65 61.33 3hf9 s ILE 131 Cb -0.09 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3hf9 s ILE 131 CO -0.14 0.39 0.71 -1.61 0.00 0.00 0.00 174.94 174.29 3hf9 s GLU 132 N 0.18 3.80 0.00 2.79 0.41 -0.62 -4.88 118.70 120.38 3hf9 s GLU 132 Ca 0.26 0.28 0.16 0.00 -0.41 0.00 0.00 54.97 55.27 3hf9 s GLU 132 Cb -0.16 -3.78 0.08 0.00 -1.78 0.00 0.00 34.13 28.49 3hf9 s GLU 132 CO 0.12 -0.73 0.95 0.39 -0.49 0.00 0.00 175.26 175.50 3hf9 n GLU 133 N 6.17 1.47 0.04 1.61 1.02 -1.26 -4.32 120.64 125.36 3hf9 n GLU 133 Ca 0.01 -1.22 0.14 0.00 -0.02 0.00 0.00 57.16 56.07 3hf9 n GLU 133 Cb 0.48 -1.30 0.51 0.00 -0.02 0.00 0.00 31.44 31.12 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 0.52 0.11 0.00 3.49 1.02 -1.26 -4.95 120.64 119.56 3hf9 n GLU 134 Ca 0.08 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3hf9 n GLU 134 Cb 0.38 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.42 3.17 3.24 0.62 0.00 -1.26 -5.03 105.19 107.35 3hf9 n GLY 135 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.98 0.98 -0.01 1.61 1.13 -1.26 -0.39 117.35 116.43 3hf9 s TYR 136 Ca 0.00 -1.25 -0.28 0.00 -1.41 0.00 0.00 57.07 54.12 3hf9 s TYR 136 Cb 0.00 -0.44 0.10 0.00 -1.10 0.00 0.00 41.96 40.52 3hf9 s TYR 136 CO 0.00 -0.66 0.86 -1.14 -2.51 0.00 0.00 175.55 172.10 3hf9 s GLN 137 N -4.11 0.85 -0.09 -3.49 2.00 -0.12 -4.94 119.66 109.76 3hf9 s GLN 137 Ca 0.33 -0.23 -0.17 0.00 -2.00 0.00 0.00 55.36 53.29 3hf9 s GLN 137 Cb 0.06 0.39 0.04 0.00 0.80 0.00 0.00 33.01 34.30 3hf9 s GLN 137 CO 0.09 -0.36 0.42 0.00 -0.50 0.00 0.00 175.29 174.95 3hf9 s ALA 138 N -2.83 -1.06 0.15 1.58 0.00 -1.26 -1.36 121.76 116.97 3hf9 s ALA 138 Ca 0.03 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.92 3hf9 s ALA 138 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3hf9 s ALA 138 CO -0.07 -0.25 -0.12 0.14 0.00 0.00 0.00 175.76 175.46 3hf9 s VAL 139 N -0.61 1.27 0.00 0.00 -7.23 -0.60 -4.87 120.40 108.36 3hf9 s VAL 139 Ca -0.07 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3hf9 s VAL 139 Cb -0.04 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3hf9 s VAL 139 CO 0.03 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 3hf9 n GLY 140 N -0.02 0.63 0.22 2.32 0.00 -1.26 -1.22 105.19 105.86 3hf9 n GLY 140 Ca -0.11 -2.20 0.03 0.00 0.00 0.00 0.00 46.02 43.73 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 0.14 -0.48 1.61 4.64 -1.96 -1.51 113.55 115.99 3hf9 h SER 141 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hf9 h SER 141 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3hf9 h SER 141 CO 0.00 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 3hf9 n GLY 142 N -0.76 1.42 0.37 -0.77 0.00 -1.26 -4.47 105.19 99.72 3hf9 n GLY 142 Ca -0.01 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 3.25 0.95 -0.43 1.61 4.64 -1.49 -1.98 113.55 120.10 3hf9 h SER 143 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3hf9 h SER 143 Cb 0.74 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3hf9 h SER 143 CO 0.00 0.57 0.14 -0.07 -0.87 0.00 0.00 176.83 176.60 3hf9 h LEU 144 N 1.05 0.63 -0.44 5.97 3.38 -1.81 -1.50 115.31 122.58 3hf9 h LEU 144 Ca 0.44 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 3hf9 h LEU 144 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hf9 h LEU 144 CO -0.20 0.66 -0.31 -0.26 0.09 0.00 0.00 178.44 178.42 3hf9 h PHE 145 N 0.56 1.14 -0.32 1.13 0.04 -1.77 -1.93 116.94 115.79 3hf9 h PHE 145 Ca 0.14 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 3hf9 h PHE 145 Cb 0.25 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3hf9 h PHE 145 CO 0.01 1.14 0.12 0.00 -0.60 0.00 0.00 178.31 178.98 3hf9 h ALA 146 N 0.83 0.41 -0.39 2.45 0.00 -1.22 -1.26 119.26 120.08 3hf9 h ALA 146 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hf9 h ALA 146 Cb 0.90 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hf9 h ALA 146 CO 0.08 0.03 0.16 0.87 0.00 0.00 0.00 179.25 180.39 3hf9 h LYS 147 N 0.36 0.58 0.00 0.00 1.57 -1.21 -1.13 116.57 116.74 3hf9 h LYS 147 Ca 0.10 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3hf9 h LYS 147 Cb 0.21 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3hf9 h LYS 147 CO -0.01 0.54 -0.16 0.77 -0.57 0.00 0.00 179.45 180.03 3hf9 h SER 148 N 0.48 0.00 -0.11 0.86 0.02 -1.22 0.67 113.55 114.26 3hf9 h SER 148 Ca 0.13 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 3hf9 h SER 148 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3hf9 h SER 148 CO -0.01 0.16 -0.42 -1.28 -1.14 0.00 0.00 176.83 174.13 3hf9 h SER 149 N 0.00 0.55 -0.59 3.07 0.87 -0.86 -3.20 113.55 113.39 3hf9 h SER 149 Ca -0.00 -0.62 -0.03 0.00 -1.23 0.00 0.00 61.79 59.90 3hf9 h SER 149 Cb 0.31 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3hf9 h SER 149 CO 0.02 1.09 0.26 0.24 -0.53 0.00 0.00 176.83 177.91 3hf9 h MET 150 N 0.06 0.90 -0.98 2.24 2.07 -0.74 -2.13 114.93 116.34 3hf9 h MET 150 Ca -0.02 -0.14 0.22 0.00 -2.07 0.00 0.00 59.70 57.69 3hf9 h MET 150 Cb 1.06 -0.16 -0.12 0.00 -1.87 0.00 0.00 31.60 30.51 3hf9 h MET 150 CO 0.09 0.73 0.57 -0.22 1.07 0.00 0.00 176.91 179.14 3hf9 h LYS 151 N 0.89 0.61 0.00 1.72 3.64 -0.87 0.16 116.57 122.72 3hf9 h LYS 151 Ca 0.21 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.36 3hf9 h LYS 151 Cb 0.15 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3hf9 h LYS 151 CO -0.02 0.40 -1.11 0.87 -2.27 0.00 0.00 179.45 177.32 3hf9 h LYS 152 N 0.63 0.00 -0.01 1.90 1.79 -1.50 -3.37 116.57 116.02 3hf9 h LYS 152 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 3hf9 h LYS 152 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3hf9 h LYS 152 CO -0.44 0.64 -0.77 1.28 -1.08 0.00 0.00 179.45 179.07 3hf9 n LEU 153 N -3.17 1.44 -0.13 2.94 4.77 -0.62 -4.54 117.00 117.69 3hf9 n LEU 153 Ca -0.05 -0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 55.22 3hf9 n LEU 153 Cb 0.90 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.03 3hf9 n LEU 153 CO 0.44 0.31 0.69 0.22 -1.33 0.00 0.00 177.39 177.72 3hf9 h TYR 154 N 1.05 1.02 -1.61 -1.77 3.20 -0.88 -1.63 116.97 116.34 3hf9 h TYR 154 Ca 0.00 -0.24 0.47 0.00 3.14 0.00 0.00 58.73 62.10 3hf9 h TYR 154 Cb 0.61 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3hf9 h TYR 154 CO 0.00 1.02 1.17 0.66 -1.64 0.00 0.00 178.16 179.37 3hf9 h SER 155 N 0.78 0.00 -0.04 -2.11 4.64 -1.83 0.46 113.55 115.45 3hf9 h SER 155 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3hf9 h SER 155 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3hf9 h SER 155 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3hf9 n GLN 156 N -4.03 1.24 -3.12 4.77 6.02 -0.61 -4.81 117.38 116.85 3hf9 n GLN 156 Ca 0.36 -0.36 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3hf9 n GLN 156 Cb 1.67 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 31.49 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 -1.95 4.95 0.00 5.09 1.01 0.15 -4.83 120.40 124.82 3hf9 s VAL 157 Ca 0.34 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3hf9 s VAL 157 Cb 0.17 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3hf9 s VAL 157 CO 0.27 -0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.63 3hf9 n THR 158 N 5.34 0.00 -4.11 3.92 -2.24 -1.26 -4.87 114.28 111.06 3hf9 n THR 158 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 3hf9 n THR 158 Cb 0.49 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.28 -0.33 0.23 3.42 5.75 -1.26 -4.48 116.55 118.59 3hf9 n ASP 159 Ca 0.00 -1.95 0.08 0.00 -0.01 0.00 0.00 54.79 52.90 3hf9 n ASP 159 Cb 0.20 0.75 0.53 0.00 -1.03 0.00 0.00 41.12 41.57 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 0.89 0.00 0.74 6.12 0.00 -1.96 -1.76 103.07 107.10 3hf9 h GLY 160 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 3hf9 h GLY 160 CO 0.15 0.00 -0.61 -1.80 0.00 0.00 0.00 176.54 174.28 3hf9 h ASP 161 N 0.00 0.49 -0.28 0.19 3.58 -1.99 -1.58 116.42 116.83 3hf9 h ASP 161 Ca -0.00 -0.80 -0.12 0.00 0.42 0.00 0.00 57.03 56.53 3hf9 h ASP 161 Cb 0.50 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3hf9 h ASP 161 CO 0.03 1.23 -0.24 0.77 -2.88 0.00 0.00 179.24 178.15 3hf9 h SER 162 N -0.19 0.79 -0.75 2.28 4.64 -1.90 -2.12 113.55 116.30 3hf9 h SER 162 Ca -0.08 -0.29 0.09 0.00 -0.47 0.00 0.00 61.79 61.04 3hf9 h SER 162 Cb 1.34 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 63.15 3hf9 h SER 162 CO 0.12 1.00 0.40 1.23 -0.87 0.00 0.00 176.83 178.71 3hf9 h GLY 163 N 0.96 1.14 0.99 -0.77 0.00 -1.27 0.35 103.07 104.47 3hf9 h GLY 163 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3hf9 h GLY 163 CO 0.06 0.08 0.34 -2.00 0.00 0.00 0.00 176.54 175.02 3hf9 h LEU 164 N 0.67 0.76 -0.07 3.11 6.46 -0.92 -1.03 115.31 124.29 3hf9 h LEU 164 Ca 0.37 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 3hf9 h LEU 164 Cb 0.36 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3hf9 h LEU 164 CO -0.26 0.63 0.02 -0.09 -0.62 0.00 0.00 178.44 178.13 3hf9 h ARG 165 N 0.83 0.11 -0.66 1.25 2.43 -0.49 -0.30 114.38 117.55 3hf9 h ARG 165 Ca 0.21 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 3hf9 h ARG 165 Cb 0.04 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 3hf9 h ARG 165 CO -0.03 0.29 0.31 0.28 -1.51 0.00 0.00 179.97 179.31 3hf9 h VAL 166 N -0.09 0.85 -0.22 0.20 2.07 -0.93 0.15 116.25 118.28 3hf9 h VAL 166 Ca 0.02 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hf9 h VAL 166 Cb 0.23 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3hf9 h VAL 166 CO -0.00 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.80 3hf9 h ALA 167 N 1.40 0.26 -0.60 1.67 0.00 -0.83 0.12 119.26 121.29 3hf9 h ALA 167 Ca 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hf9 h ALA 167 Cb 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hf9 h ALA 167 CO -0.26 -0.30 0.24 0.28 0.00 0.00 0.00 179.25 179.21 3hf9 h VAL 168 N 0.23 1.21 -0.27 0.00 2.07 -0.29 -2.00 116.25 117.20 3hf9 h VAL 168 Ca 0.09 -0.67 -0.16 0.00 0.82 0.00 0.00 66.70 66.78 3hf9 h VAL 168 Cb 0.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hf9 h VAL 168 CO -0.06 0.27 -0.47 -0.08 0.02 0.00 0.00 177.57 177.25 3hf9 h GLU 169 N 0.86 0.72 -0.96 1.57 4.81 -0.22 0.09 114.58 121.45 3hf9 h GLU 169 Ca 0.20 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3hf9 h GLU 169 Cb 0.17 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3hf9 h GLU 169 CO -0.02 1.03 0.61 0.00 -0.73 0.00 0.00 179.01 179.90 3hf9 h ALA 170 N 0.90 1.23 0.00 2.92 0.00 -0.57 0.64 119.26 124.37 3hf9 h ALA 170 Ca 0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hf9 h ALA 170 Cb 1.03 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hf9 h ALA 170 CO 0.10 0.66 -0.52 -0.07 0.00 0.00 0.00 179.25 179.41 3hf9 h LEU 171 N 1.32 0.00 -0.37 0.00 3.38 -1.01 -1.01 115.31 117.62 3hf9 h LEU 171 Ca 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 3hf9 h LEU 171 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hf9 h LEU 171 CO -0.07 0.52 -0.24 0.22 0.09 0.00 0.00 178.44 178.96 3hf9 h TYR 172 N 0.00 0.96 -0.16 1.13 3.20 -0.33 -1.82 116.97 119.95 3hf9 h TYR 172 Ca -0.01 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 3hf9 h TYR 172 Cb 0.95 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3hf9 h TYR 172 CO 0.00 1.03 -0.32 -0.44 -1.64 0.00 0.00 178.16 176.78 3hf9 h ASP 173 N 0.61 0.32 -0.33 -2.11 3.32 -0.66 -1.81 116.42 115.76 3hf9 h ASP 173 Ca 0.07 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3hf9 h ASP 173 Cb 0.81 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3hf9 h ASP 173 CO 0.07 0.63 -0.14 0.00 -1.72 0.00 0.00 179.24 178.08 3hf9 h ALA 174 N 1.39 0.46 0.00 3.45 0.00 -1.05 -2.72 119.26 120.80 3hf9 h ALA 174 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hf9 h ALA 174 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hf9 h ALA 174 CO 0.05 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3hf9 h ALA 175 N 0.78 1.00 -0.02 0.00 0.00 -1.05 -0.74 119.26 119.24 3hf9 h ALA 175 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3hf9 h ALA 175 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hf9 h ALA 175 CO 0.04 0.00 -0.86 0.22 0.00 0.00 0.00 179.25 178.65 3hf9 h ASP 176 N 0.00 0.40 -0.00 0.00 3.58 -1.01 -3.33 116.42 116.05 3hf9 h ASP 176 Ca 0.00 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3hf9 h ASP 176 Cb 0.40 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3hf9 h ASP 176 CO 0.00 1.09 -0.41 0.47 -2.88 0.00 0.00 179.24 177.50 3hf9 n ASP 177 N -3.73 0.53 -4.06 2.28 8.00 -1.11 -4.94 116.55 113.51 3hf9 n ASP 177 Ca -0.05 -0.76 -0.27 0.00 0.71 0.00 0.00 54.79 54.42 3hf9 n ASP 177 Cb 0.79 0.94 -0.17 0.00 -0.02 0.00 0.00 41.12 42.66 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 -1.82 2.25 0.11 -2.24 2.15 -0.30 -5.03 116.67 111.79 3hf9 s ASP 178 Ca 0.04 -0.39 0.26 0.00 0.43 0.00 0.00 52.55 52.89 3hf9 s ASP 178 Cb 0.07 -1.02 0.74 0.00 -0.30 0.00 0.00 42.92 42.42 3hf9 s ASP 178 CO 0.37 0.04 1.64 -1.54 -0.17 0.00 0.00 175.17 175.51 3hf9 n SER 179 N 3.98 0.56 0.01 -0.34 3.41 -1.26 -3.20 113.62 116.77 3hf9 n SER 179 Ca -0.20 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 3hf9 n SER 179 Cb 0.52 -0.34 0.42 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.70 2.88 -2.85 7.33 0.00 -1.26 -4.78 120.51 120.13 3hf9 n ALA 180 Ca 0.05 -0.21 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 3hf9 n ALA 180 Cb 0.40 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.02 4.48 0.08 0.00 2.01 -1.20 -4.65 115.64 113.34 3hf9 s THR 181 Ca 0.12 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 3hf9 s THR 181 Cb 0.18 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.64 3hf9 s THR 181 CO 0.62 0.49 0.44 -0.83 -0.69 0.00 0.00 174.62 174.65 3hf9 s GLY 182 N 0.23 2.40 0.49 4.40 0.00 -1.26 -4.47 107.32 109.12 3hf9 s GLY 182 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 3hf9 s GLY 182 CO 0.01 -0.01 0.67 0.61 0.00 0.00 0.00 173.10 174.38 3hf9 n GLY 183 N 1.06 0.61 3.66 0.20 0.00 -1.26 -4.58 105.19 104.88 3hf9 n GLY 183 Ca -0.08 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -4.22 4.20 -0.66 1.61 0.02 -1.26 -4.90 135.00 129.79 3hf9 s PRO 184 Ca 0.44 2.07 -0.22 0.00 0.02 0.00 0.00 61.00 63.31 3hf9 s PRO 184 Cb -0.02 -3.89 0.07 0.00 0.02 0.00 0.00 34.50 30.68 3hf9 s PRO 184 CO 0.29 -0.79 0.96 0.34 -0.33 0.00 0.00 177.00 177.47 3hf9 s ASP 185 N 2.90 6.17 0.22 2.53 3.68 -0.65 -4.89 116.67 126.63 3hf9 s ASP 185 Ca 0.69 -1.00 0.09 0.00 2.13 0.00 0.00 52.55 54.46 3hf9 s ASP 185 Cb -0.31 -2.42 0.17 0.00 -1.45 0.00 0.00 42.92 38.91 3hf9 s ASP 185 CO 0.26 -1.43 1.50 -0.07 0.13 0.00 0.00 175.17 175.56 3hf9 h LEU 186 N 11.31 0.01 -0.49 -1.34 3.38 -1.93 0.10 115.31 126.35 3hf9 h LEU 186 Ca -0.29 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3hf9 h LEU 186 Cb 1.07 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3hf9 h LEU 186 CO 1.18 0.75 0.23 0.58 0.09 0.00 0.00 178.44 181.27 3hf9 h VAL 187 N 0.00 1.19 -0.01 1.22 2.07 -1.97 -3.09 116.25 115.67 3hf9 h VAL 187 Ca -0.01 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hf9 h VAL 187 Cb 1.32 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3hf9 h VAL 187 CO 0.10 0.21 -0.69 0.54 0.02 0.00 0.00 177.57 177.75 3hf9 n ARG 188 N -4.62 0.43 -3.26 1.57 1.74 -1.20 -5.00 116.66 106.33 3hf9 n ARG 188 Ca 0.02 -0.33 -0.15 0.00 -0.77 0.00 0.00 57.85 56.61 3hf9 n ARG 188 Cb 0.12 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.46 -0.26 3.16 -0.13 0.00 0.30 -5.02 105.19 104.70 3hf9 n GLY 189 Ca 0.07 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.30 1.90 0.29 -0.61 1.01 -0.91 -5.02 121.20 114.56 3hf9 s ILE 190 Ca 0.07 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3hf9 s ILE 190 Cb -0.03 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.71 3hf9 s ILE 190 CO 0.63 0.52 0.01 -0.36 0.00 0.00 0.00 174.94 175.74 3hf9 s PHE 191 N 0.64 1.85 0.67 3.97 0.40 -1.26 -1.64 117.98 122.61 3hf9 s PHE 191 Ca -0.12 -0.88 -0.17 0.00 -0.60 0.00 0.00 56.93 55.16 3hf9 s PHE 191 Cb -0.16 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.23 3hf9 s PHE 191 CO 0.03 0.07 1.27 -2.14 0.70 0.00 0.00 175.22 175.15 3hf9 s PRO 192 N -3.84 2.46 0.14 0.24 0.02 -1.26 -4.81 135.00 127.95 3hf9 s PRO 192 Ca 0.32 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.19 3hf9 s PRO 192 Cb 0.07 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.67 3hf9 s PRO 192 CO 0.13 -1.65 0.51 0.95 -0.33 0.00 0.00 177.00 176.61 3hf9 s THR 193 N -1.56 4.92 0.14 0.99 -4.23 -0.86 -4.90 115.64 110.13 3hf9 s THR 193 Ca 0.80 0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 62.01 3hf9 s THR 193 Cb -0.35 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.75 3hf9 s THR 193 CO 0.41 0.22 0.04 0.00 -0.54 0.00 0.00 174.62 174.75 3hf9 s ALA 194 N -1.49 0.95 -0.01 3.99 0.00 -1.26 -1.20 121.76 122.75 3hf9 s ALA 194 Ca 0.38 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 3hf9 s ALA 194 Cb -0.14 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 3hf9 s ALA 194 CO 0.19 -0.45 0.05 0.08 0.00 0.00 0.00 175.76 175.63 3hf9 s VAL 195 N -3.96 0.05 -0.05 0.00 1.01 0.55 -1.60 120.40 116.39 3hf9 s VAL 195 Ca 0.23 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3hf9 s VAL 195 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.24 3hf9 s VAL 195 CO 0.02 -0.22 -0.16 -0.63 0.00 0.00 0.00 175.10 174.11 3hf9 s ILE 196 N -0.68 1.35 -0.11 2.22 1.01 0.00 -1.38 121.20 123.61 3hf9 s ILE 196 Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3hf9 s ILE 196 Cb -0.05 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.25 3hf9 s ILE 196 CO 0.00 0.39 -0.23 -0.63 0.00 0.00 0.00 174.94 174.48 3hf9 s ILE 197 N 0.16 2.02 0.04 2.92 1.01 0.20 -0.60 121.20 126.96 3hf9 s ILE 197 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.61 3hf9 s ILE 197 Cb -0.12 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 3hf9 s ILE 197 CO 0.03 0.55 0.03 -0.90 0.00 0.00 0.00 174.94 174.65 3hf9 n ASP 198 N 3.73 0.04 -0.30 3.58 3.85 -1.01 -1.51 116.55 124.94 3hf9 n ASP 198 Ca -0.19 -1.29 0.01 0.00 -0.71 0.00 0.00 54.79 52.61 3hf9 n ASP 198 Cb 0.52 0.21 0.21 0.00 -1.35 0.00 0.00 41.12 40.71 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hf9 h ALA 199 N 1.13 1.43 -0.80 2.12 0.00 -1.94 -1.88 119.26 119.33 3hf9 h ALA 199 Ca -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hf9 h ALA 199 Cb 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hf9 h ALA 199 CO 0.05 0.49 0.34 -0.44 0.00 0.00 0.00 179.25 179.68 3hf9 h ASP 200 N 1.12 1.09 -2.44 0.00 3.45 -1.96 -3.49 116.42 114.19 3hf9 h ASP 200 Ca 0.35 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3hf9 h ASP 200 Cb -0.00 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.48 3hf9 h ASP 200 CO -0.10 0.95 0.00 0.61 -1.57 0.00 0.00 179.24 179.13 3hf9 n GLY 201 N -0.93 -0.30 3.71 2.75 0.00 -0.71 -5.07 105.19 104.65 3hf9 n GLY 201 Ca 0.07 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.25 3.38 0.03 4.61 0.00 -0.26 -2.41 121.76 125.87 3hf9 s ALA 202 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3hf9 s ALA 202 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 3hf9 s ALA 202 CO 0.00 -0.11 -0.07 0.08 0.00 0.00 0.00 175.76 175.66 3hf9 s VAL 203 N 0.83 0.53 0.04 0.00 1.01 0.23 -4.97 120.40 118.07 3hf9 s VAL 203 Ca 0.34 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3hf9 s VAL 203 Cb -0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3hf9 s VAL 203 CO 0.16 -0.28 1.04 -1.81 0.00 0.00 0.00 175.10 174.21 3hf9 s ASP 204 N -1.29 7.31 0.06 3.32 1.01 -1.26 -0.82 116.67 124.99 3hf9 s ASP 204 Ca -0.07 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.69 3hf9 s ASP 204 Cb -0.08 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 3hf9 s ASP 204 CO 0.00 -0.28 1.02 -0.69 0.21 0.00 0.00 175.17 175.43 3hf9 s VAL 205 N 0.78 4.55 0.43 -1.27 1.01 -0.63 -4.91 120.40 120.36 3hf9 s VAL 205 Ca 0.53 1.94 -0.26 0.00 0.00 0.00 0.00 61.98 64.19 3hf9 s VAL 205 Cb -0.24 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 3hf9 s VAL 205 CO 0.29 0.21 1.38 -2.84 0.00 0.00 0.00 175.10 174.14 3hf9 s PRO 206 N 0.60 3.80 0.35 2.72 0.02 -1.26 -4.53 135.00 136.69 3hf9 s PRO 206 Ca 0.51 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.87 3hf9 s PRO 206 Cb -0.24 -2.70 0.63 0.00 0.02 0.00 0.00 34.50 32.21 3hf9 s PRO 206 CO 0.29 -0.69 1.98 1.49 -0.33 0.00 0.00 177.00 179.74 3hf9 h GLU 207 N 2.47 0.77 -0.80 5.54 4.81 -1.94 -2.58 114.58 122.85 3hf9 h GLU 207 Ca -0.50 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3hf9 h GLU 207 Cb 1.26 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3hf9 h GLU 207 CO 0.62 0.56 0.53 0.77 -0.73 0.00 0.00 179.01 180.76 3hf9 h SER 208 N 0.79 0.92 -0.57 1.04 0.02 -1.99 0.05 113.55 113.80 3hf9 h SER 208 Ca 0.20 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 3hf9 h SER 208 Cb -0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3hf9 h SER 208 CO -0.04 0.66 0.05 -0.09 -1.14 0.00 0.00 176.83 176.28 3hf9 h ARG 209 N 1.09 0.97 -0.73 3.45 2.43 -1.84 -2.75 114.38 116.99 3hf9 h ARG 209 Ca 0.29 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3hf9 h ARG 209 Cb -0.12 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 3hf9 h ARG 209 CO -0.07 0.94 0.22 0.82 -1.51 0.00 0.00 179.97 180.38 3hf9 h ILE 210 N 0.86 1.26 -0.90 1.20 2.04 -1.31 -2.67 117.51 117.99 3hf9 h ILE 210 Ca 0.17 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3hf9 h ILE 210 Cb 0.47 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3hf9 h ILE 210 CO 0.02 0.36 0.51 0.00 0.00 0.00 0.00 178.15 179.04 3hf9 h ALA 211 N 1.11 1.15 -0.72 1.87 0.00 -0.84 0.24 119.26 122.06 3hf9 h ALA 211 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 211 Cb 0.32 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hf9 h ALA 211 CO -0.01 0.64 0.29 1.49 0.00 0.00 0.00 179.25 181.66 3hf9 h GLU 212 N 1.25 1.08 -0.56 0.00 4.81 -1.27 0.24 114.58 120.13 3hf9 h GLU 212 Ca 0.32 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3hf9 h GLU 212 Cb -0.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3hf9 h GLU 212 CO -0.05 0.89 0.15 -0.07 -0.73 0.00 0.00 179.01 179.20 3hf9 h LEU 213 N 1.04 0.83 -0.24 1.64 3.38 -0.96 1.05 115.31 122.05 3hf9 h LEU 213 Ca 0.24 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hf9 h LEU 213 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hf9 h LEU 213 CO -0.02 0.84 0.05 0.00 0.09 0.00 0.00 178.44 179.40 3hf9 h ALA 214 N 1.03 0.32 -0.59 1.53 0.00 -0.09 0.76 119.26 122.21 3hf9 h ALA 214 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hf9 h ALA 214 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hf9 h ALA 214 CO -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 179.25 179.26 3hf9 h ARG 215 N 0.21 1.03 -0.77 0.00 3.08 -0.36 -0.81 114.38 116.76 3hf9 h ARG 215 Ca 0.07 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3hf9 h ARG 215 Cb 0.30 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3hf9 h ARG 215 CO 0.00 1.00 0.40 0.00 -1.07 0.00 0.00 179.97 180.30 3hf9 h ALA 216 N 0.99 0.99 -0.22 0.04 0.00 0.13 -2.33 119.26 118.85 3hf9 h ALA 216 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 216 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hf9 h ALA 216 CO 0.03 0.53 0.08 0.82 0.00 0.00 0.00 179.25 180.70 3hf9 h ILE 217 N 1.08 1.18 0.56 0.00 2.04 -0.45 -2.46 117.51 119.46 3hf9 h ILE 217 Ca 0.27 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3hf9 h ILE 217 Cb 0.08 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3hf9 h ILE 217 CO -0.04 0.18 -0.27 0.40 0.00 0.00 0.00 178.15 178.42 3hf9 h ILE 218 N 0.20 0.00 -0.99 -0.67 2.04 -0.95 -2.67 117.51 114.47 3hf9 h ILE 218 Ca 0.07 -0.03 0.23 0.00 1.00 0.00 0.00 64.86 66.14 3hf9 h ILE 218 Cb 0.21 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.20 3hf9 h ILE 218 CO -0.00 0.00 0.64 -0.33 0.00 0.00 0.00 178.15 178.45 3hf9 h GLU 219 N -0.78 0.44 0.00 2.37 5.08 -1.53 1.43 114.58 121.59 3hf9 h GLU 219 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hf9 h GLU 219 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hf9 h GLU 219 CO 0.13 0.29 0.00 1.03 -1.00 0.00 0.00 179.01 179.45 3hf9 h SER 220 N 0.45 0.00 -0.15 1.42 0.87 -1.16 -1.79 113.55 113.19 3hf9 h SER 220 Ca 0.55 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 3hf9 h SER 220 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3hf9 h SER 220 CO -0.26 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.58 3hf9 n ARG 221 N -2.64 2.83 0.00 2.24 1.74 0.48 -5.08 116.66 116.22 3hf9 n ARG 221 Ca -0.02 -1.86 0.09 0.00 -0.77 0.00 0.00 57.85 55.30 3hf9 n ARG 221 Cb 0.08 -1.19 0.08 0.00 -1.02 0.00 0.00 32.46 30.41 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54