#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 2.67 0.01 12.58 -1.09 -0.66 -2.17 121.20 132.54 3hf9 s ILE 3 Ca 0.00 -1.45 0.01 0.00 -2.23 0.00 0.00 60.65 56.98 3hf9 s ILE 3 Cb 0.00 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 3hf9 s ILE 3 CO 0.00 0.19 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.18 3hf9 s VAL 4 N -1.04 0.18 -0.11 2.92 1.01 0.33 -1.60 120.40 122.09 3hf9 s VAL 4 Ca 0.16 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3hf9 s VAL 4 Cb -0.10 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.07 3hf9 s VAL 4 CO 0.07 -0.21 0.34 0.00 0.00 0.00 0.00 175.10 175.30 3hf9 s ALA 5 N -0.72 -0.84 -0.03 5.51 0.00 -0.31 -0.75 121.76 124.63 3hf9 s ALA 5 Ca -0.07 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3hf9 s ALA 5 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3hf9 s ALA 5 CO -0.00 -0.17 0.24 -0.48 0.00 0.00 0.00 175.76 175.34 3hf9 s LEU 6 N 0.01 1.13 0.21 0.00 0.05 -0.50 -1.19 118.68 118.38 3hf9 s LEU 6 Ca -0.02 0.10 -0.21 0.00 0.05 0.00 0.00 54.13 54.05 3hf9 s LEU 6 Cb -0.03 0.98 -0.08 0.00 -2.05 0.00 0.00 46.19 45.01 3hf9 s LEU 6 CO 0.01 -0.33 0.75 -0.54 -0.55 0.00 0.00 176.35 175.68 3hf9 s LYS 7 N -0.98 4.35 0.22 1.48 1.02 0.87 -1.23 119.74 125.47 3hf9 s LYS 7 Ca -0.11 0.97 0.04 0.00 0.02 0.00 0.00 55.97 56.89 3hf9 s LYS 7 Cb -0.05 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 3hf9 s LYS 7 CO 0.02 0.44 -0.03 1.52 -0.92 0.00 0.00 175.35 176.38 3hf9 s TYR 8 N -1.42 1.57 -0.16 3.18 -0.85 -0.61 -4.93 117.35 114.13 3hf9 s TYR 8 Ca 0.41 -0.85 -0.29 0.00 -0.52 0.00 0.00 57.07 55.82 3hf9 s TYR 8 Cb -0.18 -0.88 -0.04 0.00 0.38 0.00 0.00 41.96 41.23 3hf9 s TYR 8 CO 0.22 0.04 1.71 -2.14 -1.52 0.00 0.00 175.55 173.86 3hf9 s PRO 9 N -3.81 3.86 0.00 -3.49 0.02 -1.26 -2.01 135.00 128.30 3hf9 s PRO 9 Ca 0.26 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3hf9 s PRO 9 Cb 0.05 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.50 3hf9 s PRO 9 CO 0.08 -1.23 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 3hf9 n GLY 10 N 4.62 0.29 0.00 0.52 0.00 0.73 -4.72 105.19 106.62 3hf9 n GLY 10 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 1.19 3.14 -0.02 0.00 -0.85 -4.02 105.19 102.63 3hf9 n GLY 11 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.39 0.63 0.07 1.61 -7.23 -0.86 -1.57 120.40 110.66 3hf9 s VAL 12 Ca 0.00 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 3hf9 s VAL 12 Cb 0.00 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3hf9 s VAL 12 CO 0.00 -0.75 -0.18 0.54 -0.31 0.00 0.00 175.10 174.40 3hf9 s VAL 13 N -3.03 1.45 -0.00 1.32 0.11 -0.37 -1.28 120.40 118.60 3hf9 s VAL 13 Ca 0.06 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 3hf9 s VAL 13 Cb 0.01 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 3hf9 s VAL 13 CO -0.04 -0.01 0.00 -0.32 -3.33 0.00 0.00 175.10 171.40 3hf9 s MET 14 N -1.53 0.00 0.04 1.54 1.75 -0.32 -1.42 119.30 119.37 3hf9 s MET 14 Ca 0.04 0.01 -0.04 0.00 -1.25 0.00 0.00 55.69 54.45 3hf9 s MET 14 Cb -0.09 -0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.55 3hf9 s MET 14 CO 0.03 -0.01 0.06 0.00 -0.65 0.00 0.00 175.02 174.45 3hf9 s ALA 15 N 0.04 0.05 0.01 4.11 0.00 0.07 -0.27 121.76 125.77 3hf9 s ALA 15 Ca -0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 3hf9 s ALA 15 Cb -0.00 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 3hf9 s ALA 15 CO -0.00 -0.30 0.12 0.20 0.00 0.00 0.00 175.76 175.78 3hf9 s GLY 16 N -2.12 0.08 0.66 0.00 0.00 -0.64 -0.51 107.32 104.79 3hf9 s GLY 16 Ca -0.05 -0.24 -0.14 0.00 0.00 0.00 0.00 44.72 44.28 3hf9 s GLY 16 CO -0.05 -0.38 1.09 0.51 0.00 0.00 0.00 173.10 174.27 3hf9 s ASP 17 N -1.56 5.25 0.00 1.64 -4.77 -0.92 -2.20 116.67 114.11 3hf9 s ASP 17 Ca -0.13 1.88 0.22 0.00 -3.30 0.00 0.00 52.55 51.22 3hf9 s ASP 17 Cb -0.06 -2.54 0.51 0.00 -1.09 0.00 0.00 42.92 39.74 3hf9 s ASP 17 CO 0.00 -1.53 1.44 0.54 0.70 0.00 0.00 175.17 176.32 3hf9 n ARG 18 N -2.54 2.33 -4.00 2.11 5.12 -1.26 -4.60 116.66 113.83 3hf9 n ARG 18 Ca 0.09 -2.02 -0.30 0.00 -1.93 0.00 0.00 57.85 53.70 3hf9 n ARG 18 Cb 0.53 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.29 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 -1.53 3.13 -0.05 5.56 3.52 -1.26 -1.42 118.95 126.91 3hf9 s ARG 19 Ca 0.38 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 55.32 3hf9 s ARG 19 Cb 0.21 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.78 3hf9 s ARG 19 CO 0.30 0.57 0.12 -1.54 -0.81 0.00 0.00 175.30 173.94 3hf9 s SER 20 N -2.61 -0.11 0.21 -2.12 1.04 -0.69 -4.77 113.70 104.65 3hf9 s SER 20 Ca 0.32 0.25 0.10 0.00 0.48 0.00 0.00 55.95 57.10 3hf9 s SER 20 Cb -0.12 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3hf9 s SER 20 CO 0.25 -0.08 -0.14 0.42 0.98 0.00 0.00 173.24 174.67 3hf9 s THR 21 N 0.50 2.90 -0.60 2.02 -4.23 -1.26 -0.86 115.64 114.10 3hf9 s THR 21 Ca -0.04 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 3hf9 s THR 21 Cb -0.05 -2.45 0.15 0.00 1.34 0.00 0.00 72.50 71.49 3hf9 s THR 21 CO -0.02 -0.18 0.38 -1.58 -0.54 0.00 0.00 174.62 172.68 3hf9 s GLN 22 N -2.97 2.13 7.52 3.99 0.74 -0.29 -4.84 119.66 125.94 3hf9 s GLN 22 Ca 0.25 -2.92 0.00 0.00 0.05 0.00 0.00 55.36 52.74 3hf9 s GLN 22 Cb -0.08 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.82 3hf9 s GLN 22 CO 0.14 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3hf9 n GLY 23 N 2.55 2.05 0.09 2.59 0.00 -1.26 -3.18 105.19 108.03 3hf9 n GLY 23 Ca 0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 3hf9 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hf9 n ASN 24 N 8.48 0.88 -4.77 1.61 3.02 -1.26 -4.94 115.26 118.29 3hf9 n ASN 24 Ca 0.00 0.41 -0.40 0.00 -0.03 0.00 0.00 54.58 54.56 3hf9 n ASN 24 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3hf9 n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hf9 s MET 25 N -2.72 4.24 -0.31 3.52 -1.94 -1.19 -4.98 119.30 115.92 3hf9 s MET 25 Ca -0.04 2.11 -0.23 0.00 -1.71 0.00 0.00 55.69 55.82 3hf9 s MET 25 Cb 0.08 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.97 3hf9 s MET 25 CO 0.82 -0.24 0.79 0.42 -0.01 0.00 0.00 175.02 176.79 3hf9 s ILE 26 N -1.21 4.79 -1.10 2.53 1.01 -1.26 -1.14 121.20 124.82 3hf9 s ILE 26 Ca 0.52 1.16 0.18 0.00 0.00 0.00 0.00 60.65 62.50 3hf9 s ILE 26 Cb -0.37 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 37.81 3hf9 s ILE 26 CO 0.49 -0.26 0.81 -1.54 0.00 0.00 0.00 174.94 174.44 3hf9 n SER 27 N 6.22 1.12 -3.63 3.58 3.41 -0.04 -4.93 113.62 119.34 3hf9 n SER 27 Ca 0.04 -1.06 -0.12 0.00 -0.26 0.00 0.00 58.87 57.46 3hf9 n SER 27 Cb 0.48 0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 65.20 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 -2.51 -0.41 0.00 5.00 0.00 -0.89 -4.94 107.32 103.57 3hf9 s GLY 28 Ca 0.09 2.25 0.01 0.00 0.00 0.00 0.00 44.72 47.07 3hf9 s GLY 28 CO 0.65 1.78 0.15 0.54 0.00 0.00 0.00 173.10 176.22 3hf9 n ARG 29 N 2.54 5.10 0.00 2.90 1.74 -1.25 -1.70 116.66 125.99 3hf9 n ARG 29 Ca -0.13 -0.12 0.04 0.00 -0.77 0.00 0.00 57.85 56.87 3hf9 n ARG 29 Cb 0.55 -0.65 0.02 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.80 1.45 -4.64 0.55 5.68 -0.99 -4.49 116.55 113.31 3hf9 n ASP 30 Ca 0.00 -1.23 -0.46 0.00 -0.50 0.00 0.00 54.79 52.61 3hf9 n ASP 30 Cb 0.02 0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.16 0.58 -3.07 2.12 0.31 -0.51 -4.98 118.33 112.93 3hf9 n VAL 31 Ca 0.04 -0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 63.79 3hf9 n VAL 31 Cb 0.20 -2.09 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 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 4.72 4.20 -0.00 5.55 0.52 -1.26 -4.18 118.95 128.49 3hf9 s ARG 32 Ca 0.94 0.67 0.06 0.00 -0.52 0.00 0.00 55.73 56.89 3hf9 s ARG 32 Cb -0.58 -3.60 -0.09 0.00 0.52 0.00 0.00 34.95 31.21 3hf9 s ARG 32 CO 0.46 -0.31 0.21 1.63 0.02 0.00 0.00 175.30 177.31 3hf9 n LYS 33 N 5.28 2.50 -4.24 3.54 5.02 -1.26 -4.74 118.16 124.25 3hf9 n LYS 33 Ca -0.00 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 3hf9 n LYS 33 Cb 0.49 -0.98 -0.12 0.00 -0.02 0.00 0.00 35.03 34.40 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 -2.04 3.89 0.08 -0.18 1.01 -1.26 -2.56 120.40 119.34 3hf9 s VAL 34 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3hf9 s VAL 34 Cb 0.05 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3hf9 s VAL 34 CO 0.27 0.46 -0.13 -0.31 0.00 0.00 0.00 175.10 175.39 3hf9 s TYR 35 N 0.68 1.17 -0.46 5.22 1.51 -0.71 -4.98 117.35 119.78 3hf9 s TYR 35 Ca -0.01 -0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 55.33 3hf9 s TYR 35 Cb -0.14 -0.65 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 3hf9 s TYR 35 CO 0.02 0.05 0.74 0.42 -1.11 0.00 0.00 175.55 175.67 3hf9 s ILE 36 N -1.50 4.70 0.19 2.71 1.01 -1.26 -1.25 121.20 125.80 3hf9 s ILE 36 Ca -0.01 0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 3hf9 s ILE 36 Cb -0.09 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.12 3hf9 s ILE 36 CO 0.02 -0.73 1.63 0.71 0.00 0.00 0.00 174.94 176.57 3hf9 h THR 37 N 5.94 1.27 -2.68 2.92 1.35 -1.61 -3.48 112.91 116.62 3hf9 h THR 37 Ca -0.25 -1.26 -0.07 0.00 -0.55 0.00 0.00 66.41 64.28 3hf9 h THR 37 Cb 1.09 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3hf9 h THR 37 CO 0.95 0.44 0.03 -0.90 -0.25 0.00 0.00 175.52 175.78 3hf9 n ASP 38 N -4.14 -0.81 -0.34 5.36 5.68 -0.83 -4.42 116.55 117.05 3hf9 n ASP 38 Ca 0.01 -1.78 -0.01 0.00 -0.50 0.00 0.00 54.79 52.52 3hf9 n ASP 38 Cb 0.40 1.41 0.15 0.00 -1.14 0.00 0.00 41.12 41.94 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hf9 h ASP 39 N 0.88 1.07 -0.20 -1.12 3.32 -1.94 -3.18 116.42 115.25 3hf9 h ASP 39 Ca -0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3hf9 h ASP 39 Cb 0.54 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hf9 h ASP 39 CO 0.18 0.76 0.00 -1.22 -1.72 0.00 0.00 179.24 177.24 3hf9 n TYR 40 N -4.41 0.54 -3.84 4.55 4.02 -1.26 0.53 117.16 117.29 3hf9 n TYR 40 Ca 0.12 -0.76 -0.11 0.00 -0.01 0.00 0.00 57.90 57.14 3hf9 n TYR 40 Cb 0.05 -0.18 -0.09 0.00 -0.02 0.00 0.00 39.34 39.10 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 -2.15 0.09 -0.01 -0.72 -4.23 -1.20 -0.65 115.64 106.77 3hf9 s THR 41 Ca 0.30 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 3hf9 s THR 41 Cb 0.23 -0.73 0.01 0.00 1.34 0.00 0.00 72.50 73.35 3hf9 s THR 41 CO 0.08 -0.42 0.16 0.00 -0.54 0.00 0.00 174.62 173.90 3hf9 s ALA 42 N -2.03 -0.38 -0.02 3.99 0.00 0.70 -1.54 121.76 122.48 3hf9 s ALA 42 Ca -0.09 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.91 3hf9 s ALA 42 Cb -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hf9 s ALA 42 CO -0.01 -0.20 -0.21 0.95 0.00 0.00 0.00 175.76 176.29 3hf9 s THR 43 N -1.20 1.67 -0.02 0.00 -4.23 -0.38 -0.86 115.64 110.61 3hf9 s THR 43 Ca -0.13 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.56 3hf9 s THR 43 Cb -0.07 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 3hf9 s THR 43 CO 0.02 0.47 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.51 3hf9 s GLY 44 N -0.39 1.36 -0.07 3.99 0.00 -0.53 -1.74 107.32 109.93 3hf9 s GLY 44 Ca 0.05 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.71 3hf9 s GLY 44 CO -0.00 -0.91 -0.18 -0.42 0.00 0.00 0.00 173.10 171.59 3hf9 s ILE 45 N -0.67 1.54 -1.53 0.90 1.09 -1.06 -0.97 121.20 120.50 3hf9 s ILE 45 Ca 0.11 -0.74 -0.10 0.00 -1.10 0.00 0.00 60.65 58.82 3hf9 s ILE 45 Cb -0.10 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 39.93 3hf9 s ILE 45 CO -0.00 0.44 2.67 0.00 -0.10 0.00 0.00 174.94 177.95 3hf9 n ALA 46 N 3.49 6.92 -3.00 9.38 0.00 -1.26 -4.81 120.51 131.24 3hf9 n ALA 46 Ca -0.20 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.52 3hf9 n ALA 46 Cb 0.52 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 3.41 4.73 3.65 0.00 0.00 -1.26 -4.91 105.19 110.80 3hf9 n GLY 47 Ca 0.69 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.38 2.27 0.21 2.61 -4.23 -1.26 -4.78 115.64 109.08 3hf9 s THR 48 Ca 0.00 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3hf9 s THR 48 Cb 0.00 -2.22 0.15 0.00 1.34 0.00 0.00 72.50 71.77 3hf9 s THR 48 CO 0.00 -0.12 1.73 0.00 -0.54 0.00 0.00 174.62 175.70 3hf9 h ALA 49 N -1.91 0.77 -0.22 3.99 0.00 -1.98 -2.69 119.26 117.23 3hf9 h ALA 49 Ca -0.48 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3hf9 h ALA 49 Cb 1.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3hf9 h ALA 49 CO 0.46 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.54 3hf9 h ALA 50 N 1.44 0.28 -0.44 0.00 0.00 -1.93 -2.82 119.26 115.80 3hf9 h ALA 50 Ca 0.31 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hf9 h ALA 50 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 50 CO -0.33 -0.08 0.22 0.28 0.00 0.00 0.00 179.25 179.34 3hf9 h VAL 51 N 0.17 0.97 -0.88 0.00 2.07 -1.89 0.18 116.25 116.87 3hf9 h VAL 51 Ca 0.07 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hf9 h VAL 51 Cb 0.26 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3hf9 h VAL 51 CO -0.00 0.08 0.58 0.00 0.02 0.00 0.00 177.57 178.25 3hf9 h ALA 52 N 1.23 1.12 0.16 1.67 0.00 -1.41 -2.15 119.26 119.87 3hf9 h ALA 52 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 52 Cb 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hf9 h ALA 52 CO -0.13 0.51 -0.08 0.28 0.00 0.00 0.00 179.25 179.83 3hf9 h VAL 53 N 1.18 0.62 -0.85 0.00 2.07 -1.20 -2.77 116.25 115.30 3hf9 h VAL 53 Ca 0.32 -1.13 0.19 0.00 0.82 0.00 0.00 66.70 66.90 3hf9 h VAL 53 Cb -0.13 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3hf9 h VAL 53 CO -0.07 0.18 0.57 -0.33 0.02 0.00 0.00 177.57 177.93 3hf9 h GLU 54 N -0.96 0.34 0.01 1.57 4.39 -0.67 0.34 114.58 119.60 3hf9 h GLU 54 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hf9 h GLU 54 Cb 0.45 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3hf9 h GLU 54 CO 0.04 0.23 -0.01 0.35 -1.16 0.00 0.00 179.01 178.46 3hf9 h PHE 55 N 0.35 -0.02 -0.59 4.33 3.04 -1.47 -2.23 116.94 120.36 3hf9 h PHE 55 Ca 0.43 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.45 3hf9 h PHE 55 Cb 1.14 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.59 3hf9 h PHE 55 CO -0.00 0.76 0.27 0.00 -2.02 0.00 0.00 178.31 177.31 3hf9 h ALA 56 N 0.09 0.77 -0.21 2.41 0.00 -1.07 -1.52 119.26 119.73 3hf9 h ALA 56 Ca -0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 56 Cb 0.78 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3hf9 h ALA 56 CO 0.00 -0.11 -0.10 -0.09 0.00 0.00 0.00 179.25 178.95 3hf9 h ARG 57 N 0.49 -0.07 0.01 0.00 2.43 -0.38 0.10 114.38 116.96 3hf9 h ARG 57 Ca 0.28 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3hf9 h ARG 57 Cb 0.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hf9 h ARG 57 CO -0.23 -0.05 -0.07 1.25 -1.51 0.00 0.00 179.97 179.36 3hf9 h LEU 58 N -0.08 -0.19 -1.00 3.80 5.85 -1.07 -1.67 115.31 120.95 3hf9 h LEU 58 Ca 0.11 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3hf9 h LEU 58 Cb 0.25 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3hf9 h LEU 58 CO -0.26 -0.10 0.65 0.22 -0.34 0.00 0.00 178.44 178.62 3hf9 h TYR 59 N -0.12 1.23 -0.29 1.25 3.20 -0.84 -1.19 116.97 120.21 3hf9 h TYR 59 Ca 0.02 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 3hf9 h TYR 59 Cb 0.15 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3hf9 h TYR 59 CO -0.13 0.70 -0.25 0.00 -1.64 0.00 0.00 178.16 176.84 3hf9 h ALA 60 N 1.41 1.02 -0.29 1.82 0.00 -0.49 -1.48 119.26 121.25 3hf9 h ALA 60 Ca 0.40 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 60 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hf9 h ALA 60 CO -0.13 0.59 -0.06 0.28 0.00 0.00 0.00 179.25 179.93 3hf9 h VAL 61 N 0.50 1.28 -0.03 0.00 2.07 -0.65 -2.02 116.25 117.40 3hf9 h VAL 61 Ca 0.07 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3hf9 h VAL 61 Cb 0.70 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3hf9 h VAL 61 CO 0.05 0.34 -0.20 -0.33 0.02 0.00 0.00 177.57 177.45 3hf9 h GLU 62 N 0.32 -0.30 -0.13 1.57 5.08 -0.85 0.30 114.58 120.57 3hf9 h GLU 62 Ca 0.07 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3hf9 h GLU 62 Cb 0.53 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3hf9 h GLU 62 CO 0.03 -0.20 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.70 3hf9 h LEU 63 N -0.31 -0.21 -0.32 1.33 3.38 -1.22 -1.06 115.31 116.90 3hf9 h LEU 63 Ca 0.07 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3hf9 h LEU 63 Cb 0.40 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hf9 h LEU 63 CO -0.21 -0.09 -0.24 -0.08 0.09 0.00 0.00 178.44 177.92 3hf9 h GLU 64 N -0.05 0.73 -0.69 1.13 4.81 -1.23 -1.96 114.58 117.32 3hf9 h GLU 64 Ca 0.08 -0.35 0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3hf9 h GLU 64 Cb 0.16 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.41 3hf9 h GLU 64 CO -0.17 0.97 -0.16 1.25 -0.73 0.00 0.00 179.01 180.17 3hf9 h HIS 65 N 0.49 -0.35 -0.60 0.92 2.76 -0.09 -0.01 115.15 118.27 3hf9 h HIS 65 Ca 0.06 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3hf9 h HIS 65 Cb 0.80 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 3hf9 h HIS 65 CO 0.07 -0.29 0.32 -0.92 -1.30 0.00 0.00 177.93 175.80 3hf9 h TYR 66 N 0.00 0.83 -0.61 5.26 3.20 -0.82 -2.35 116.97 122.50 3hf9 h TYR 66 Ca 0.33 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 3hf9 h TYR 66 Cb 0.51 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3hf9 h TYR 66 CO -0.55 0.61 0.31 1.49 -1.64 0.00 0.00 178.16 178.39 3hf9 h GLU 67 N 0.81 0.86 -0.80 1.82 4.81 -0.36 -0.56 114.58 121.15 3hf9 h GLU 67 Ca 0.21 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3hf9 h GLU 67 Cb 0.07 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3hf9 h GLU 67 CO -0.03 0.67 0.41 0.87 -0.73 0.00 0.00 179.01 180.20 3hf9 h LYS 68 N 0.82 1.13 -0.31 1.92 1.57 -0.94 0.23 116.57 121.00 3hf9 h LYS 68 Ca 0.21 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 3hf9 h LYS 68 Cb 0.08 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3hf9 h LYS 68 CO -0.03 0.85 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.28 3hf9 h LEU 69 N 1.13 0.85 -1.01 2.94 3.38 -1.03 -3.36 115.31 118.21 3hf9 h LEU 69 Ca 0.28 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hf9 h LEU 69 Cb 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hf9 h LEU 69 CO -0.04 1.16 -0.17 -0.62 0.09 0.00 0.00 178.44 178.86 3hf9 n GLU 70 N -4.18 1.57 0.00 1.13 -0.58 -0.25 -5.00 120.64 113.34 3hf9 n GLU 70 Ca -0.04 -0.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 3hf9 n GLU 70 Cb 0.51 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 0.88 2.90 3.37 0.62 0.00 0.80 -4.97 105.19 108.78 3hf9 n GLY 71 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.64 1.46 0.59 1.61 -7.23 -1.24 -4.95 120.40 109.00 3hf9 s VAL 72 Ca 0.00 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 57.92 3hf9 s VAL 72 Cb 0.00 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3hf9 s VAL 72 CO 0.00 -0.42 1.03 -2.84 -0.31 0.00 0.00 175.10 172.56 3hf9 s PRO 73 N -3.75 3.54 0.71 4.82 0.02 -1.26 -4.01 135.00 135.07 3hf9 s PRO 73 Ca 0.26 0.95 -0.16 0.00 0.02 0.00 0.00 61.00 62.07 3hf9 s PRO 73 Cb 0.03 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.51 3hf9 s PRO 73 CO 0.09 -0.62 1.21 -0.51 -0.33 0.00 0.00 177.00 176.84 3hf9 s LEU 74 N -4.74 3.37 0.91 -5.54 1.43 -1.26 -5.01 118.68 107.84 3hf9 s LEU 74 Ca 0.59 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.94 3hf9 s LEU 74 Cb -0.12 -4.59 0.14 0.00 0.03 0.00 0.00 46.19 41.64 3hf9 s LEU 74 CO 0.43 -2.16 1.09 0.42 0.23 0.00 0.00 176.35 176.37 3hf9 s THR 75 N -1.91 2.60 0.14 5.49 -4.23 -1.26 -4.74 115.64 111.73 3hf9 s THR 75 Ca 0.75 0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 61.26 3hf9 s THR 75 Cb -0.30 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.01 3hf9 s THR 75 CO 0.44 -0.26 1.69 0.15 -0.54 0.00 0.00 174.62 176.10 3hf9 h PHE 76 N -1.66 -0.16 -0.91 3.99 3.57 -1.96 0.15 116.94 119.96 3hf9 h PHE 76 Ca -0.48 0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.28 3hf9 h PHE 76 Cb 1.28 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 39.99 3hf9 h PHE 76 CO 0.45 -0.12 0.37 0.00 -2.23 0.00 0.00 178.31 176.78 3hf9 h ALA 77 N 1.22 1.48 -0.18 2.41 0.00 -2.00 0.52 119.26 122.71 3hf9 h ALA 77 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hf9 h ALA 77 Cb 0.20 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hf9 h ALA 77 CO -0.26 -0.43 0.11 0.78 0.00 0.00 0.00 179.25 179.46 3hf9 h GLY 78 N 0.32 0.26 0.70 0.00 0.00 -1.08 0.20 103.07 103.47 3hf9 h GLY 78 Ca 0.59 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.86 3hf9 h GLY 78 CO -0.59 0.10 0.16 0.50 0.00 0.00 0.00 176.54 176.71 3hf9 h LYS 79 N 0.23 0.32 -0.45 4.80 1.57 0.23 -0.88 116.57 122.39 3hf9 h LYS 79 Ca 0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3hf9 h LYS 79 Cb -0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3hf9 h LYS 79 CO -0.01 0.21 0.21 0.82 -0.57 0.00 0.00 179.45 180.11 3hf9 h ILE 80 N 0.33 0.94 0.14 1.86 2.04 -0.96 -1.74 117.51 120.13 3hf9 h ILE 80 Ca 0.18 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3hf9 h ILE 80 Cb 0.13 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3hf9 h ILE 80 CO -0.16 0.08 -0.45 -1.13 0.00 0.00 0.00 178.15 176.48 3hf9 h ASN 81 N 0.42 -1.34 -0.97 1.72 -1.24 0.10 0.17 115.58 114.45 3hf9 h ASN 81 Ca 0.20 0.14 0.08 0.00 0.71 0.00 0.00 56.30 57.43 3hf9 h ASN 81 Cb 0.12 0.50 -0.07 0.00 0.73 0.00 0.00 38.32 39.60 3hf9 h ASN 81 CO -0.15 -0.52 0.62 0.03 -1.29 0.00 0.00 177.43 176.12 3hf9 h ARG 82 N -0.70 1.03 0.14 6.67 2.47 -1.12 0.05 114.38 122.92 3hf9 h ARG 82 Ca 0.01 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3hf9 h ARG 82 Cb 0.72 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 3hf9 h ARG 82 CO -0.24 0.68 -0.16 1.25 0.56 0.00 0.00 179.97 182.06 3hf9 h LEU 83 N 1.06 -0.43 -0.74 3.04 6.46 -0.70 -0.21 115.31 123.80 3hf9 h LEU 83 Ca 0.43 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 3hf9 h LEU 83 Cb 0.28 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 3hf9 h LEU 83 CO -0.19 -0.24 0.47 0.00 -0.62 0.00 0.00 178.44 177.87 3hf9 h ALA 84 N 0.48 0.94 -0.54 1.25 0.00 0.34 0.75 119.26 122.47 3hf9 h ALA 84 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 84 Cb 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hf9 h ALA 84 CO -0.05 0.38 0.34 0.82 0.00 0.00 0.00 179.25 180.73 3hf9 h ILE 85 N 1.00 1.09 -0.49 0.00 2.04 -0.85 0.71 117.51 121.00 3hf9 h ILE 85 Ca 0.27 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3hf9 h ILE 85 Cb -0.09 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3hf9 h ILE 85 CO -0.06 0.12 0.26 -0.03 0.00 0.00 0.00 178.15 178.45 3hf9 h MET 86 N 0.67 0.70 0.03 2.37 4.05 -0.31 -0.26 114.93 122.18 3hf9 h MET 86 Ca 0.21 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3hf9 h MET 86 Cb -0.01 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 3hf9 h MET 86 CO -0.08 0.56 -0.02 0.28 0.23 0.00 0.00 176.91 177.88 3hf9 h VAL 87 N 0.65 0.95 -0.12 -5.77 2.07 -0.37 -2.33 116.25 111.33 3hf9 h VAL 87 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3hf9 h VAL 87 Cb 0.08 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3hf9 h VAL 87 CO -0.03 0.00 -0.03 0.03 0.02 0.00 0.00 177.57 177.56 3hf9 h ARG 88 N -0.05 0.18 -0.77 1.57 3.08 -0.76 -1.68 114.38 115.95 3hf9 h ARG 88 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 88 Cb 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3hf9 h ARG 88 CO -0.00 0.23 0.45 0.78 -1.07 0.00 0.00 179.97 180.36 3hf9 h GLY 89 N 0.46 1.11 1.67 0.04 0.00 -0.57 -2.79 103.07 102.99 3hf9 h GLY 89 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hf9 h GLY 89 CO 0.01 0.45 -0.33 3.43 0.00 0.00 0.00 176.54 180.10 3hf9 h ASN 90 N 1.06 0.00 0.98 0.19 2.35 -0.80 -3.09 115.58 116.26 3hf9 h ASN 90 Ca 0.28 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3hf9 h ASN 90 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3hf9 h ASN 90 CO -0.05 0.00 -0.36 0.18 -1.65 0.00 0.00 177.43 175.55 3hf9 n LEU 91 N -2.89 0.60 -1.11 1.61 4.77 -0.97 -2.51 117.00 116.50 3hf9 n LEU 91 Ca 0.03 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 3hf9 n LEU 91 Cb 0.53 -0.27 0.21 0.00 -2.33 0.00 0.00 43.42 41.56 3hf9 n LEU 91 CO 0.36 -0.05 0.69 0.00 -1.33 0.00 0.00 177.39 177.06 3hf9 n ALA 92 N -1.72 2.41 -0.02 -1.18 0.00 -1.07 -5.10 120.51 113.82 3hf9 n ALA 92 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 53.44 52.45 3hf9 n ALA 92 Cb 0.41 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 1.42 1.90 -2.72 0.00 0.00 -1.04 -5.10 120.51 114.98 3hf9 n ALA 93 Ca 0.19 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 3hf9 n ALA 93 Cb 0.59 0.38 -0.01 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.60 5.35 -4.39 0.00 4.77 -1.26 -5.04 117.00 113.84 3hf9 n LEU 99 Ca -0.08 -5.48 -0.45 0.00 -0.03 0.00 0.00 56.01 49.98 3hf9 n LEU 99 Cb 0.59 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3hf9 n LEU 99 CO 0.05 2.23 0.54 0.00 -1.33 0.00 0.00 177.39 178.88 3hf9 s ALA 100 N -3.71 3.44 -0.35 -1.18 0.00 -1.26 -5.03 121.76 113.68 3hf9 s ALA 100 Ca 0.47 -2.39 -0.14 0.00 0.00 0.00 0.00 51.96 49.90 3hf9 s ALA 100 Cb 0.30 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3hf9 s ALA 100 CO -0.17 -2.49 0.31 -0.51 0.00 0.00 0.00 175.76 172.90 3hf9 s LEU 101 N 2.57 4.53 0.68 0.00 2.01 -1.26 -5.00 118.68 122.21 3hf9 s LEU 101 Ca 0.17 -0.37 -0.12 0.00 0.01 0.00 0.00 54.13 53.82 3hf9 s LEU 101 Cb -0.19 -2.24 0.01 0.00 0.01 0.00 0.00 46.19 43.78 3hf9 s LEU 101 CO 0.03 -0.31 1.07 -2.84 1.01 0.00 0.00 176.35 175.31 3hf9 s PRO 102 N 1.87 2.86 -0.09 1.29 0.02 -1.26 -4.36 135.00 135.33 3hf9 s PRO 102 Ca 0.09 1.12 0.02 0.00 0.02 0.00 0.00 61.00 62.24 3hf9 s PRO 102 Cb -0.17 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.39 3hf9 s PRO 102 CO 0.11 -1.17 -0.12 -1.17 -0.33 0.00 0.00 177.00 174.32 3hf9 s LEU 103 N -5.29 1.57 -0.13 -5.54 0.20 -0.15 -3.10 118.68 106.24 3hf9 s LEU 103 Ca 0.61 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.10 3hf9 s LEU 103 Cb -0.16 -0.91 -0.01 0.00 -0.43 0.00 0.00 46.19 44.68 3hf9 s LEU 103 CO 0.49 -0.00 -0.15 -0.22 -0.29 0.00 0.00 176.35 176.18 3hf9 s LEU 104 N 0.98 2.60 -0.02 -0.68 2.96 0.13 -1.45 118.68 123.20 3hf9 s LEU 104 Ca -0.08 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.52 3hf9 s LEU 104 Cb -0.15 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3hf9 s LEU 104 CO -0.00 0.15 -0.23 0.00 -1.32 0.00 0.00 176.35 174.94 3hf9 s ALA 105 N 0.45 2.30 0.23 5.97 0.00 -0.04 -1.01 121.76 129.66 3hf9 s ALA 105 Ca -0.11 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 3hf9 s ALA 105 Cb -0.16 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.35 3hf9 s ALA 105 CO 0.05 0.54 0.62 0.20 0.00 0.00 0.00 175.76 177.17 3hf9 s GLY 106 N -0.73 -0.13 -0.11 0.00 0.00 -0.44 -0.22 107.32 105.69 3hf9 s GLY 106 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.64 3hf9 s GLY 106 CO -0.00 -0.14 -0.15 -0.47 0.00 0.00 0.00 173.10 172.34 3hf9 s TYR 107 N -3.89 1.98 -0.54 1.90 5.04 0.18 -0.17 117.35 121.86 3hf9 s TYR 107 Ca 0.10 -0.96 -0.18 0.00 -2.44 0.00 0.00 57.07 53.58 3hf9 s TYR 107 Cb -0.03 -1.44 0.08 0.00 0.35 0.00 0.00 41.96 40.92 3hf9 s TYR 107 CO 0.01 -0.50 0.62 0.34 -1.34 0.00 0.00 175.55 174.68 3hf9 s ASP 108 N 1.08 6.20 0.27 4.32 2.15 -0.33 -4.84 116.67 125.51 3hf9 s ASP 108 Ca -0.05 -1.22 0.03 0.00 0.43 0.00 0.00 52.55 51.74 3hf9 s ASP 108 Cb -0.15 -2.28 0.36 0.00 -0.30 0.00 0.00 42.92 40.56 3hf9 s ASP 108 CO -0.03 -0.95 1.67 0.16 -0.17 0.00 0.00 175.17 175.85 3hf9 h ILE 109 N 5.88 1.30 0.00 4.11 3.07 -1.98 -2.26 117.51 127.63 3hf9 h ILE 109 Ca -0.29 -1.49 0.00 0.00 1.55 0.00 0.00 64.86 64.63 3hf9 h ILE 109 Cb 1.09 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.23 3hf9 h ILE 109 CO 1.01 0.46 0.00 1.41 -1.05 0.00 0.00 178.15 179.98 3hf9 n HIS 110 N -4.04 0.00 -2.51 0.16 8.25 -1.26 -4.80 115.22 111.01 3hf9 n HIS 110 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 3hf9 n HIS 110 Cb 0.48 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 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 3.37 0.10 -1.41 0.00 -0.85 -4.95 121.76 115.90 3hf9 s ALA 111 Ca 0.15 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 3hf9 s ALA 111 Cb 0.07 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 3hf9 s ALA 111 CO 0.13 -0.12 1.68 0.66 0.00 0.00 0.00 175.76 178.12 3hf9 h SER 112 N 3.75 -0.37 -3.53 0.00 4.64 -1.89 -3.40 113.55 112.74 3hf9 h SER 112 Ca -0.47 0.04 -0.71 0.00 -0.47 0.00 0.00 61.79 60.17 3hf9 h SER 112 Cb 1.21 0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 63.22 3hf9 h SER 112 CO 0.67 -0.22 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.35 3hf9 s ASP 113 N -4.92 6.08 0.27 4.97 3.68 -1.26 -4.96 116.67 120.52 3hf9 s ASP 113 Ca -0.15 -0.85 0.23 0.00 2.13 0.00 0.00 52.55 53.91 3hf9 s ASP 113 Cb 0.07 -2.15 1.00 0.00 -1.45 0.00 0.00 42.92 40.39 3hf9 s ASP 113 CO 0.65 -0.42 1.71 -2.65 0.13 0.00 0.00 175.17 174.59 3hf9 n PRO 114 N 5.14 0.19 -0.10 4.34 -0.02 -1.26 -2.47 135.00 140.82 3hf9 n PRO 114 Ca -0.11 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 3hf9 n PRO 114 Cb 0.47 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.73 -1.09 -0.52 1.08 -1.93 -3.29 115.11 110.09 3hf9 h GLN 115 Ca 0.00 -0.38 -0.62 0.00 -1.45 0.00 0.00 58.65 56.21 3hf9 h GLN 115 Cb 0.34 0.01 -0.37 0.00 -0.05 0.00 0.00 27.48 27.41 3hf9 h GLN 115 CO 0.00 1.00 -0.13 -1.13 -0.95 0.00 0.00 178.83 177.62 3hf9 n SER 116 N -4.25 5.95 -0.35 1.46 3.41 -1.03 -0.20 113.62 118.61 3hf9 n SER 116 Ca -0.04 -3.77 0.13 0.00 -0.26 0.00 0.00 58.87 54.94 3hf9 n SER 116 Cb 0.47 -0.62 0.44 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 -0.71 2.86 -1.76 7.33 0.00 -1.14 -4.88 120.51 122.20 3hf9 n ALA 117 Ca 0.50 -0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 3hf9 n ALA 117 Cb 0.75 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.28 2.79 -0.03 0.00 0.00 -1.26 -1.18 107.32 105.35 3hf9 s GLY 118 Ca 0.30 1.06 -0.02 0.00 0.00 0.00 0.00 44.72 46.06 3hf9 s GLY 118 CO 0.44 1.50 0.07 0.50 0.00 0.00 0.00 173.10 175.61 3hf9 s ARG 119 N -3.06 0.08 -0.06 2.90 1.81 0.76 -4.89 118.95 116.50 3hf9 s ARG 119 Ca 0.72 0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.86 3hf9 s ARG 119 Cb -0.32 0.02 0.02 0.00 -0.45 0.00 0.00 34.95 34.22 3hf9 s ARG 119 CO 0.37 -0.02 -0.06 0.42 -0.68 0.00 0.00 175.30 175.32 3hf9 s ILE 120 N 0.13 0.72 -0.04 1.52 1.01 -1.26 -1.33 121.20 121.95 3hf9 s ILE 120 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3hf9 s ILE 120 Cb -0.02 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.75 3hf9 s ILE 120 CO -0.00 0.27 -0.07 -0.69 0.00 0.00 0.00 174.94 174.45 3hf9 s VAL 121 N 0.98 0.67 0.30 2.92 1.01 -0.18 -1.42 120.40 124.67 3hf9 s VAL 121 Ca -0.10 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3hf9 s VAL 121 Cb -0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 3hf9 s VAL 121 CO 0.00 0.24 -0.01 -0.94 0.00 0.00 0.00 175.10 174.40 3hf9 s SER 122 N 0.70 2.59 -0.01 3.32 1.04 -0.65 0.20 113.70 120.89 3hf9 s SER 122 Ca -0.10 -1.27 0.07 0.00 0.48 0.00 0.00 55.95 55.12 3hf9 s SER 122 Cb -0.13 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3hf9 s SER 122 CO 0.01 -0.46 -0.21 -0.36 0.98 0.00 0.00 173.24 173.20 3hf9 s PHE 123 N -3.14 1.91 0.82 5.02 0.40 -1.18 -1.14 117.98 120.67 3hf9 s PHE 123 Ca 0.32 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 3hf9 s PHE 123 Cb 0.06 -1.22 0.14 0.00 0.51 0.00 0.00 43.02 42.52 3hf9 s PHE 123 CO 0.13 -0.02 1.14 0.16 0.70 0.00 0.00 175.22 177.33 3hf9 s ASP 124 N -0.59 3.93 0.40 1.36 1.47 -0.51 -4.82 116.67 117.90 3hf9 s ASP 124 Ca 0.08 0.07 0.21 0.00 1.18 0.00 0.00 52.55 54.09 3hf9 s ASP 124 Cb -0.08 -0.36 1.18 0.00 -0.34 0.00 0.00 42.92 43.32 3hf9 s ASP 124 CO -0.00 -2.17 1.71 0.00 0.68 0.00 0.00 175.17 175.39 3hf9 h ALA 125 N -1.01 2.32 -0.65 2.11 0.00 -2.01 -1.42 119.26 118.59 3hf9 h ALA 125 Ca -0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hf9 h ALA 125 Cb 1.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hf9 h ALA 125 CO 0.43 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 178.87 3hf9 n ALA 126 N -2.45 2.84 -1.04 0.00 0.00 -1.26 -4.94 120.51 113.66 3hf9 n ALA 126 Ca 0.30 -1.41 -0.00 0.00 0.00 0.00 0.00 53.44 52.32 3hf9 n ALA 126 Cb 1.04 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 1.30 0.40 3.76 0.00 0.00 -0.53 -4.99 105.19 105.12 3hf9 n GLY 127 Ca 0.24 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 2.28 0.65 -0.02 0.00 -1.26 -4.65 107.32 101.32 3hf9 s GLY 128 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.23 3hf9 s GLY 128 CO 0.00 0.37 1.04 0.66 0.00 0.00 0.00 173.10 175.18 3hf9 s TRP 129 N 0.12 3.50 -0.16 1.90 1.48 -1.26 -1.43 118.94 123.08 3hf9 s TRP 129 Ca 0.19 1.15 -0.08 0.00 -1.06 0.00 0.00 56.10 56.30 3hf9 s TRP 129 Cb -0.14 -2.84 0.06 0.00 -1.16 0.00 0.00 33.47 29.39 3hf9 s TRP 129 CO 0.06 -0.87 0.38 1.21 -4.06 0.00 0.00 176.95 173.68 3hf9 s ASN 130 N -4.25 -0.46 -0.09 -2.66 3.04 -0.29 -4.91 114.94 105.32 3hf9 s ASN 130 Ca 0.56 0.84 -0.15 0.00 0.04 0.00 0.00 52.86 54.15 3hf9 s ASN 130 Cb -0.11 0.74 -0.05 0.00 -1.54 0.00 0.00 41.25 40.29 3hf9 s ASN 130 CO 0.52 -0.19 0.37 -0.63 -3.04 0.00 0.00 177.10 174.14 3hf9 s ILE 131 N 1.44 5.19 -0.31 -5.21 1.01 -1.26 -1.64 121.20 120.42 3hf9 s ILE 131 Ca -0.09 0.74 -0.21 0.00 0.00 0.00 0.00 60.65 61.09 3hf9 s ILE 131 Cb -0.09 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3hf9 s ILE 131 CO -0.12 0.46 0.65 -1.61 0.00 0.00 0.00 174.94 174.32 3hf9 s GLU 132 N -0.14 3.90 0.00 2.79 0.41 -0.51 -4.89 118.70 120.25 3hf9 s GLU 132 Ca 0.21 0.33 0.14 0.00 -0.41 0.00 0.00 54.97 55.24 3hf9 s GLU 132 Cb -0.15 -3.73 0.10 0.00 -1.78 0.00 0.00 34.13 28.57 3hf9 s GLU 132 CO 0.09 -0.60 0.92 0.39 -0.49 0.00 0.00 175.26 175.57 3hf9 n GLU 133 N 5.94 0.94 0.00 1.61 1.02 -1.26 -4.30 120.64 124.59 3hf9 n GLU 133 Ca -0.00 -1.27 0.13 0.00 -0.02 0.00 0.00 57.16 56.00 3hf9 n GLU 133 Cb 0.49 -1.25 0.45 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.71 0.00 0.00 3.49 1.02 -1.26 -4.96 120.64 119.64 3hf9 n GLU 134 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3hf9 n GLU 134 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.50 3.24 3.27 0.62 0.00 -1.26 -5.02 105.19 107.54 3hf9 n GLY 135 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.84 1.44 -0.13 1.61 1.13 -1.26 -0.09 117.35 117.22 3hf9 s TYR 136 Ca 0.00 -1.42 -0.32 0.00 -1.41 0.00 0.00 57.07 53.92 3hf9 s TYR 136 Cb 0.00 -0.71 0.13 0.00 -1.10 0.00 0.00 41.96 40.28 3hf9 s TYR 136 CO 0.00 -0.63 1.08 -1.14 -2.51 0.00 0.00 175.55 172.36 3hf9 s GLN 137 N -3.91 0.50 -0.10 -3.49 2.00 -0.33 -4.92 119.66 109.41 3hf9 s GLN 137 Ca 0.38 -0.14 -0.23 0.00 -2.00 0.00 0.00 55.36 53.37 3hf9 s GLN 137 Cb 0.06 0.23 0.05 0.00 0.80 0.00 0.00 33.01 34.15 3hf9 s GLN 137 CO 0.17 -0.21 0.55 0.00 -0.50 0.00 0.00 175.29 175.30 3hf9 s ALA 138 N -2.45 -1.39 0.18 1.58 0.00 -1.26 -1.16 121.76 117.25 3hf9 s ALA 138 Ca 0.07 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.23 3hf9 s ALA 138 Cb -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3hf9 s ALA 138 CO -0.06 -0.31 -0.05 0.14 0.00 0.00 0.00 175.76 175.48 3hf9 s VAL 139 N -0.71 1.05 0.00 0.00 -7.23 -0.63 -4.86 120.40 108.03 3hf9 s VAL 139 Ca -0.08 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3hf9 s VAL 139 Cb -0.03 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.86 3hf9 s VAL 139 CO 0.05 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 3hf9 n GLY 140 N -0.28 -2.77 0.29 2.32 0.00 -1.26 -1.65 105.19 101.84 3hf9 n GLY 140 Ca -0.08 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.77 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 0.62 -0.35 1.61 4.64 -1.96 -2.01 113.55 116.09 3hf9 h SER 141 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3hf9 h SER 141 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3hf9 h SER 141 CO 0.00 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 3hf9 n GLY 142 N -0.91 1.16 0.25 -0.77 0.00 -1.26 -4.45 105.19 99.21 3hf9 n GLY 142 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 2.11 0.15 -0.11 1.61 4.64 -1.57 -2.20 113.55 118.18 3hf9 h SER 143 Ca 0.00 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3hf9 h SER 143 Cb 0.71 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3hf9 h SER 143 CO 0.07 0.25 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.15 3hf9 h LEU 144 N 0.16 0.25 -0.43 5.97 3.38 -1.82 -1.16 115.31 121.65 3hf9 h LEU 144 Ca 0.04 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3hf9 h LEU 144 Cb 0.23 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hf9 h LEU 144 CO 0.01 0.62 0.17 -0.26 0.09 0.00 0.00 178.44 179.07 3hf9 h PHE 145 N -0.12 0.67 0.02 1.13 0.04 -1.81 -1.66 116.94 115.20 3hf9 h PHE 145 Ca 0.02 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.76 3hf9 h PHE 145 Cb 0.53 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3hf9 h PHE 145 CO 0.07 0.58 -0.10 0.00 -0.60 0.00 0.00 178.31 178.26 3hf9 h ALA 146 N 1.02 -0.13 -0.68 2.45 0.00 -1.37 -0.55 119.26 120.00 3hf9 h ALA 146 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hf9 h ALA 146 Cb 0.20 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3hf9 h ALA 146 CO -0.01 -0.60 0.38 0.87 0.00 0.00 0.00 179.25 179.89 3hf9 h LYS 147 N -0.19 0.68 0.00 0.00 1.57 -1.12 -0.01 116.57 117.51 3hf9 h LYS 147 Ca 0.03 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3hf9 h LYS 147 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hf9 h LYS 147 CO -0.09 0.45 -0.36 0.77 -0.57 0.00 0.00 179.45 179.65 3hf9 h SER 148 N 0.70 0.00 -0.05 0.86 0.02 -1.01 -0.63 113.55 113.45 3hf9 h SER 148 Ca 0.30 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 3hf9 h SER 148 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3hf9 h SER 148 CO -0.18 0.36 -0.21 -1.28 -1.14 0.00 0.00 176.83 174.38 3hf9 h SER 149 N 0.00 0.28 -0.79 3.07 0.87 -0.45 -3.20 113.55 113.33 3hf9 h SER 149 Ca -0.00 -0.64 0.04 0.00 -1.23 0.00 0.00 61.79 59.96 3hf9 h SER 149 Cb 0.77 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 3hf9 h SER 149 CO 0.05 0.87 0.52 0.24 -0.53 0.00 0.00 176.83 177.98 3hf9 h MET 150 N -0.30 0.91 -0.93 2.24 2.07 -0.77 -2.05 114.93 116.10 3hf9 h MET 150 Ca -0.01 -0.05 0.21 0.00 -2.07 0.00 0.00 59.70 57.78 3hf9 h MET 150 Cb 0.86 -0.20 -0.12 0.00 -1.87 0.00 0.00 31.60 30.26 3hf9 h MET 150 CO 0.04 0.60 0.49 -0.22 1.07 0.00 0.00 176.91 178.89 3hf9 h LYS 151 N 0.93 0.52 0.09 1.72 3.64 -1.11 0.20 116.57 122.56 3hf9 h LYS 151 Ca 0.32 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.40 3hf9 h LYS 151 Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3hf9 h LYS 151 CO -0.10 0.34 -1.32 0.87 -2.27 0.00 0.00 179.45 176.98 3hf9 h LYS 152 N 0.53 0.18 -0.00 1.90 1.79 -1.45 -3.37 116.57 116.15 3hf9 h LYS 152 Ca 0.57 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3hf9 h LYS 152 Cb 1.03 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3hf9 h LYS 152 CO -0.47 1.08 -0.65 1.28 -1.08 0.00 0.00 179.45 179.61 3hf9 n LEU 153 N -3.43 0.87 -0.02 2.94 4.77 -0.73 -4.41 117.00 117.00 3hf9 n LEU 153 Ca -0.10 -0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 55.55 3hf9 n LEU 153 Cb 1.01 -0.12 0.16 0.00 -2.33 0.00 0.00 43.42 42.14 3hf9 n LEU 153 CO 0.50 0.20 0.71 0.22 -1.33 0.00 0.00 177.39 177.70 3hf9 h TYR 154 N 0.35 0.66 -1.26 -1.77 3.20 -0.80 -1.77 116.97 115.57 3hf9 h TYR 154 Ca 0.00 -0.15 0.36 0.00 3.14 0.00 0.00 58.73 62.09 3hf9 h TYR 154 Cb 0.52 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3hf9 h TYR 154 CO 0.00 0.78 0.88 0.66 -1.64 0.00 0.00 178.16 178.85 3hf9 h SER 155 N 0.51 0.12 -0.04 -2.11 4.64 -1.83 0.04 113.55 114.88 3hf9 h SER 155 Ca 0.07 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hf9 h SER 155 Cb 0.71 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3hf9 h SER 155 CO 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 3hf9 n GLN 156 N -4.30 1.22 -3.10 4.77 6.02 -0.66 -4.81 117.38 116.52 3hf9 n GLN 156 Ca 0.29 -0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 56.54 3hf9 n GLN 156 Cb 1.28 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 31.13 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 4.92 0.00 5.09 1.01 -0.00 -4.82 120.40 124.65 3hf9 s VAL 157 Ca 0.31 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.14 3hf9 s VAL 157 Cb 0.15 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3hf9 s VAL 157 CO 0.25 -0.17 0.00 0.35 0.00 0.00 0.00 175.10 175.52 3hf9 n THR 158 N 5.43 0.00 -4.09 3.92 -2.24 -1.26 -4.85 114.28 111.20 3hf9 n THR 158 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3hf9 n THR 158 Cb 0.49 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.34 -0.27 0.22 3.42 5.75 -1.26 -4.44 116.55 118.63 3hf9 n ASP 159 Ca 0.00 -1.80 0.10 0.00 -0.01 0.00 0.00 54.79 53.09 3hf9 n ASP 159 Cb 0.23 0.63 0.45 0.00 -1.03 0.00 0.00 41.12 41.40 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 0.75 0.00 1.03 6.12 0.00 -1.96 -2.11 103.07 106.91 3hf9 h GLY 160 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.01 3hf9 h GLY 160 CO 0.13 0.00 -0.91 -1.80 0.00 0.00 0.00 176.54 173.95 3hf9 h ASP 161 N 0.00 0.75 -0.25 0.19 -0.00 -1.99 -2.20 116.42 112.92 3hf9 h ASP 161 Ca -0.00 -0.77 -0.08 0.00 -0.00 0.00 0.00 57.03 56.17 3hf9 h ASP 161 Cb 0.77 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.86 3hf9 h ASP 161 CO 0.03 1.43 -0.17 0.77 -0.00 0.00 0.00 179.24 181.30 3hf9 h SER 162 N 0.16 0.58 -0.74 2.28 4.64 -1.90 -2.22 113.55 116.35 3hf9 h SER 162 Ca -0.12 -0.44 0.17 0.00 -0.47 0.00 0.00 61.79 60.93 3hf9 h SER 162 Cb 1.60 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 63.41 3hf9 h SER 162 CO 0.18 0.89 0.07 1.23 -0.87 0.00 0.00 176.83 178.33 3hf9 h GLY 163 N 0.27 0.91 1.01 -0.77 0.00 -1.46 0.92 103.07 103.95 3hf9 h GLY 163 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.44 3hf9 h GLY 163 CO 0.05 -0.26 0.63 -2.00 0.00 0.00 0.00 176.54 174.96 3hf9 h LEU 164 N 0.16 1.09 0.17 3.11 6.46 -1.22 -1.00 115.31 124.09 3hf9 h LEU 164 Ca 0.41 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.13 3hf9 h LEU 164 Cb 0.72 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 3hf9 h LEU 164 CO -0.60 0.79 -0.08 -0.09 -0.62 0.00 0.00 178.44 177.84 3hf9 h ARG 165 N 1.29 -0.23 -0.48 1.25 2.43 -0.30 -1.57 114.38 116.78 3hf9 h ARG 165 Ca 0.35 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 3hf9 h ARG 165 Cb -0.15 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.38 3hf9 h ARG 165 CO -0.08 0.04 0.06 0.28 -1.51 0.00 0.00 179.97 178.77 3hf9 h VAL 166 N -0.48 0.69 -0.55 0.20 2.07 -0.86 0.40 116.25 117.73 3hf9 h VAL 166 Ca -0.02 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3hf9 h VAL 166 Cb 0.37 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 3hf9 h VAL 166 CO 0.04 0.03 0.17 0.00 0.02 0.00 0.00 177.57 177.83 3hf9 h ALA 167 N 1.39 0.67 -0.27 1.67 0.00 -1.12 0.23 119.26 121.82 3hf9 h ALA 167 Ca 0.24 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3hf9 h ALA 167 Cb 0.33 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hf9 h ALA 167 CO -0.34 -0.25 -0.33 0.28 0.00 0.00 0.00 179.25 178.61 3hf9 h VAL 168 N 0.32 1.29 -0.46 0.00 2.07 -0.04 -1.94 116.25 117.49 3hf9 h VAL 168 Ca 0.28 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 3hf9 h VAL 168 Cb 0.35 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3hf9 h VAL 168 CO -0.31 0.46 -0.00 -0.08 0.02 0.00 0.00 177.57 177.66 3hf9 h GLU 169 N 0.50 0.82 -0.83 1.57 4.81 0.56 -0.30 114.58 121.71 3hf9 h GLU 169 Ca 0.06 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3hf9 h GLU 169 Cb 0.81 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 3hf9 h GLU 169 CO 0.07 0.87 0.52 0.00 -0.73 0.00 0.00 179.01 179.74 3hf9 h ALA 170 N 0.91 1.12 0.00 2.92 0.00 -0.33 0.39 119.26 124.27 3hf9 h ALA 170 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 170 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hf9 h ALA 170 CO 0.02 0.29 -0.30 -0.07 0.00 0.00 0.00 179.25 179.20 3hf9 h LEU 171 N 0.97 0.00 -0.12 0.00 3.38 -0.99 -0.49 115.31 118.06 3hf9 h LEU 171 Ca 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 3hf9 h LEU 171 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hf9 h LEU 171 CO -0.15 0.30 -0.26 0.22 0.09 0.00 0.00 178.44 178.63 3hf9 h TYR 172 N 0.00 0.49 -0.84 1.13 3.20 0.93 -2.26 116.97 119.62 3hf9 h TYR 172 Ca -0.00 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.72 3hf9 h TYR 172 Cb 0.73 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3hf9 h TYR 172 CO 0.00 0.88 0.55 -0.44 -1.64 0.00 0.00 178.16 177.51 3hf9 h ASP 173 N -0.04 0.89 -0.47 -2.11 3.32 -0.02 -1.38 116.42 116.61 3hf9 h ASP 173 Ca 0.00 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3hf9 h ASP 173 Cb 0.86 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3hf9 h ASP 173 CO 0.06 0.61 0.01 0.00 -1.72 0.00 0.00 179.24 178.20 3hf9 h ALA 174 N 1.51 0.64 0.00 3.45 0.00 -1.03 -2.37 119.26 121.46 3hf9 h ALA 174 Ca 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 174 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hf9 h ALA 174 CO -0.10 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.56 3hf9 h ALA 175 N 0.93 1.00 0.00 0.00 0.00 -0.79 -1.32 119.26 119.08 3hf9 h ALA 175 Ca 0.14 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3hf9 h ALA 175 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hf9 h ALA 175 CO 0.02 0.02 -0.83 0.22 0.00 0.00 0.00 179.25 178.67 3hf9 h ASP 176 N 0.00 0.03 -0.00 0.00 3.58 -0.73 -3.31 116.42 115.99 3hf9 h ASP 176 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3hf9 h ASP 176 Cb 0.51 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3hf9 h ASP 176 CO 0.00 0.85 -0.35 0.47 -2.88 0.00 0.00 179.24 177.33 3hf9 n ASP 177 N -3.57 0.39 -4.02 2.28 8.00 -1.11 -4.96 116.55 113.57 3hf9 n ASP 177 Ca -0.01 -0.70 -0.26 0.00 0.71 0.00 0.00 54.79 54.53 3hf9 n ASP 177 Cb 0.80 0.98 -0.17 0.00 -0.02 0.00 0.00 41.12 42.70 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 -1.70 2.04 0.06 -2.24 2.15 -0.52 -5.03 116.67 111.44 3hf9 s ASP 178 Ca 0.03 -0.34 0.27 0.00 0.43 0.00 0.00 52.55 52.94 3hf9 s ASP 178 Cb 0.06 -0.91 0.81 0.00 -0.30 0.00 0.00 42.92 42.58 3hf9 s ASP 178 CO 0.31 0.01 1.66 -1.54 -0.17 0.00 0.00 175.17 175.44 3hf9 n SER 179 N 4.10 0.41 -0.08 -0.34 3.41 -1.26 -3.10 113.62 116.75 3hf9 n SER 179 Ca -0.20 0.26 0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3hf9 n SER 179 Cb 0.51 -0.25 0.34 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 -1.61 3.27 -2.86 7.33 0.00 -1.26 -4.76 120.51 120.61 3hf9 n ALA 180 Ca 0.06 -0.35 -0.34 0.00 0.00 0.00 0.00 53.44 52.81 3hf9 n ALA 180 Cb 0.37 -1.16 -0.11 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 -2.81 4.39 0.02 0.00 2.01 -1.18 -4.69 115.64 113.38 3hf9 s THR 181 Ca 0.17 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 3hf9 s THR 181 Cb 0.18 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 3hf9 s THR 181 CO 0.62 0.49 0.45 -0.83 -0.69 0.00 0.00 174.62 174.66 3hf9 s GLY 182 N 0.24 2.52 0.35 4.40 0.00 -1.26 -4.48 107.32 109.08 3hf9 s GLY 182 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 3hf9 s GLY 182 CO 0.01 0.21 0.48 0.61 0.00 0.00 0.00 173.10 174.42 3hf9 n GLY 183 N 1.74 0.52 3.65 0.20 0.00 -1.26 -4.59 105.19 105.45 3hf9 n GLY 183 Ca -0.13 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.72 4.05 -0.67 1.61 0.02 -1.26 -4.89 135.00 130.13 3hf9 s PRO 184 Ca 0.31 2.02 -0.23 0.00 0.02 0.00 0.00 61.00 63.12 3hf9 s PRO 184 Cb -0.02 -4.00 0.07 0.00 0.02 0.00 0.00 34.50 30.57 3hf9 s PRO 184 CO 0.21 -1.00 1.00 0.34 -0.33 0.00 0.00 177.00 177.21 3hf9 s ASP 185 N 3.68 6.18 0.20 2.53 3.68 -0.72 -4.89 116.67 127.32 3hf9 s ASP 185 Ca 0.73 -0.96 0.04 0.00 2.13 0.00 0.00 52.55 54.49 3hf9 s ASP 185 Cb -0.30 -2.43 0.10 0.00 -1.45 0.00 0.00 42.92 38.83 3hf9 s ASP 185 CO 0.29 -1.47 1.45 -0.07 0.13 0.00 0.00 175.17 175.50 3hf9 h LEU 186 N 11.49 0.22 -0.71 -1.34 3.38 -1.93 0.30 115.31 126.72 3hf9 h LEU 186 Ca -0.28 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.56 3hf9 h LEU 186 Cb 1.07 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3hf9 h LEU 186 CO 1.19 0.91 0.44 0.58 0.09 0.00 0.00 178.44 181.65 3hf9 h VAL 187 N 0.11 1.10 0.00 1.22 2.07 -1.98 -3.04 116.25 115.74 3hf9 h VAL 187 Ca -0.03 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3hf9 h VAL 187 Cb 1.35 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3hf9 h VAL 187 CO 0.12 0.16 -1.16 0.54 0.02 0.00 0.00 177.57 177.24 3hf9 n ARG 188 N -4.66 0.17 -3.03 1.57 1.74 -1.19 -4.99 116.66 106.27 3hf9 n ARG 188 Ca 0.08 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3hf9 n ARG 188 Cb 0.09 -1.52 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.43 -0.07 3.24 -0.13 0.00 0.99 -5.03 105.19 105.61 3hf9 n GLY 189 Ca 0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.23 2.53 0.28 -0.61 1.01 -0.73 -5.02 121.20 115.44 3hf9 s ILE 190 Ca 0.12 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3hf9 s ILE 190 Cb -0.05 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.30 3hf9 s ILE 190 CO 0.48 0.52 -0.01 -0.36 0.00 0.00 0.00 174.94 175.57 3hf9 s PHE 191 N 0.88 1.84 0.69 3.97 0.40 -1.26 -1.76 117.98 122.74 3hf9 s PHE 191 Ca -0.04 -0.83 -0.17 0.00 -0.60 0.00 0.00 56.93 55.29 3hf9 s PHE 191 Cb -0.15 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.28 3hf9 s PHE 191 CO -0.02 0.12 1.12 -2.30 0.70 0.00 0.00 175.22 174.84 3hf9 n PRO 192 N -0.56 0.75 -3.51 0.24 -0.02 -1.26 -4.76 135.00 125.88 3hf9 n PRO 192 Ca -0.05 0.31 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 3hf9 n PRO 192 Cb 0.64 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 3hf9 n PRO 192 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hf9 s THR 193 N -1.64 5.02 0.14 3.45 -4.23 -0.93 -4.92 115.64 112.52 3hf9 s THR 193 Ca 0.77 0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 3hf9 s THR 193 Cb -0.36 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 3hf9 s THR 193 CO 0.46 0.13 0.11 0.00 -0.54 0.00 0.00 174.62 174.77 3hf9 s ALA 194 N -1.58 0.72 -0.01 3.99 0.00 -1.26 -1.62 121.76 122.00 3hf9 s ALA 194 Ca 0.40 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3hf9 s ALA 194 Cb -0.13 0.91 0.02 0.00 0.00 0.00 0.00 23.12 23.91 3hf9 s ALA 194 CO 0.20 -0.53 0.01 0.08 0.00 0.00 0.00 175.76 175.52 3hf9 s VAL 195 N -4.04 0.05 0.03 0.00 1.01 0.63 -1.65 120.40 116.43 3hf9 s VAL 195 Ca 0.24 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3hf9 s VAL 195 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 3hf9 s VAL 195 CO 0.02 0.07 -0.18 -0.63 0.00 0.00 0.00 175.10 174.39 3hf9 s ILE 196 N 0.59 2.78 -0.15 2.22 1.01 -0.40 -1.17 121.20 126.08 3hf9 s ILE 196 Ca -0.05 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 3hf9 s ILE 196 Cb -0.08 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.29 3hf9 s ILE 196 CO -0.01 0.39 -0.04 -0.63 0.00 0.00 0.00 174.94 174.64 3hf9 s ILE 197 N -0.88 0.98 0.19 2.92 1.01 -0.40 -0.18 121.20 124.84 3hf9 s ILE 197 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3hf9 s ILE 197 Cb -0.10 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 3hf9 s ILE 197 CO 0.04 0.13 0.02 -0.90 0.00 0.00 0.00 174.94 174.23 3hf9 n ASP 198 N 4.92 2.14 0.00 3.58 5.75 -1.01 -2.03 116.55 129.90 3hf9 n ASP 198 Ca -0.11 -1.89 0.02 0.00 -0.01 0.00 0.00 54.79 52.80 3hf9 n ASP 198 Cb 0.48 0.22 0.07 0.00 -1.03 0.00 0.00 41.12 40.86 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hf9 n ALA 199 N -2.31 1.17 1.23 2.12 0.00 -1.26 0.10 120.51 121.56 3hf9 n ALA 199 Ca -0.08 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3hf9 n ALA 199 Cb 0.25 -1.05 0.29 0.00 0.00 0.00 0.00 19.45 18.94 3hf9 n ALA 199 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hf9 n ASP 200 N -1.48 2.18 0.00 0.00 10.43 -1.26 -5.06 116.55 121.36 3hf9 n ASP 200 Ca 0.01 -1.69 0.00 0.00 2.57 0.00 0.00 54.79 55.68 3hf9 n ASP 200 Cb 0.04 0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.04 3hf9 n ASP 200 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hf9 n GLY 201 N 1.28 0.79 3.72 0.44 0.00 0.12 -5.00 105.19 106.54 3hf9 n GLY 201 Ca 0.16 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.27 3.23 0.01 4.61 0.00 0.19 -2.40 121.76 126.13 3hf9 s ALA 202 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.52 3hf9 s ALA 202 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3hf9 s ALA 202 CO 0.00 -0.08 -0.08 0.08 0.00 0.00 0.00 175.76 175.68 3hf9 s VAL 203 N 0.29 0.62 0.07 0.00 1.01 0.75 -4.99 120.40 118.14 3hf9 s VAL 203 Ca 0.48 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3hf9 s VAL 203 Cb -0.22 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3hf9 s VAL 203 CO 0.29 -0.01 1.01 -1.81 0.00 0.00 0.00 175.10 174.57 3hf9 s ASP 204 N -0.68 7.38 0.06 3.32 1.01 -1.26 -1.27 116.67 125.23 3hf9 s ASP 204 Ca -0.01 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.75 3hf9 s ASP 204 Cb -0.05 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3hf9 s ASP 204 CO 0.00 -0.20 1.00 -0.69 0.21 0.00 0.00 175.17 175.49 3hf9 s VAL 205 N 0.47 4.58 0.18 -1.27 1.01 -0.66 -4.91 120.40 119.80 3hf9 s VAL 205 Ca 0.50 1.97 -0.31 0.00 0.00 0.00 0.00 61.98 64.15 3hf9 s VAL 205 Cb -0.24 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.78 3hf9 s VAL 205 CO 0.30 0.22 1.49 -2.84 0.00 0.00 0.00 175.10 174.27 3hf9 s PRO 206 N 0.54 4.25 0.58 2.72 0.02 -1.26 -4.55 135.00 137.29 3hf9 s PRO 206 Ca 0.51 2.29 0.29 0.00 0.02 0.00 0.00 61.00 64.11 3hf9 s PRO 206 Cb -0.23 -3.15 1.47 0.00 0.02 0.00 0.00 34.50 32.60 3hf9 s PRO 206 CO 0.29 -0.51 1.90 1.49 -0.33 0.00 0.00 177.00 179.84 3hf9 h GLU 207 N 6.20 0.00 -0.63 5.54 4.81 -1.94 0.65 114.58 129.21 3hf9 h GLU 207 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hf9 h GLU 207 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3hf9 h GLU 207 CO 0.86 0.00 0.34 0.77 -0.73 0.00 0.00 179.01 180.25 3hf9 h SER 208 N 0.00 0.79 0.24 1.04 0.02 -1.99 -1.98 113.55 111.68 3hf9 h SER 208 Ca 0.24 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3hf9 h SER 208 Cb 1.23 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 3hf9 h SER 208 CO -0.00 0.67 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.14 3hf9 h ARG 209 N 0.86 0.00 0.00 3.45 9.65 -0.04 -2.45 114.38 125.85 3hf9 h ARG 209 Ca 0.22 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 3hf9 h ARG 209 Cb 0.05 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3hf9 h ARG 209 CO -0.03 0.12 -0.28 0.82 2.80 0.00 0.00 179.97 183.39 3hf9 h ILE 210 N 0.00 0.30 0.00 1.20 2.04 -1.29 -2.93 117.51 116.83 3hf9 h ILE 210 Ca -0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3hf9 h ILE 210 Cb 0.27 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3hf9 h ILE 210 CO 0.02 0.10 0.06 0.00 0.00 0.00 0.00 178.15 178.33 3hf9 n ALA 211 N -3.10 0.88 0.07 1.87 0.00 -0.91 0.50 120.51 119.82 3hf9 n ALA 211 Ca -0.07 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 3hf9 n ALA 211 Cb 0.21 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 3hf9 n ALA 211 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hf9 h GLU 212 N 0.00 -0.26 0.00 0.00 4.81 -1.38 -3.14 114.58 114.61 3hf9 h GLU 212 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hf9 h GLU 212 Cb 0.13 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3hf9 h GLU 212 CO 0.00 0.08 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.22 3hf9 h LEU 213 N -0.96 0.00 0.53 1.64 3.38 -0.54 -1.46 115.31 117.90 3hf9 h LEU 213 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hf9 h LEU 213 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hf9 h LEU 213 CO 0.05 0.07 -0.25 0.00 0.09 0.00 0.00 178.44 178.39 3hf9 h ALA 214 N 1.93 -0.71 -0.68 1.53 0.00 -0.06 -0.66 119.26 120.62 3hf9 h ALA 214 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hf9 h ALA 214 Cb 0.18 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hf9 h ALA 214 CO 0.01 -0.76 0.45 0.00 0.00 0.00 0.00 179.25 178.95 3hf9 h ARG 215 N -1.00 0.83 -0.66 0.00 3.08 -1.47 -0.11 114.38 115.06 3hf9 h ARG 215 Ca -0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3hf9 h ARG 215 Cb 0.62 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3hf9 h ARG 215 CO 0.12 0.55 0.30 0.00 -1.07 0.00 0.00 179.97 179.87 3hf9 h ALA 216 N 1.59 0.85 -0.03 0.04 0.00 -1.11 0.41 119.26 121.01 3hf9 h ALA 216 Ca 0.26 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 3hf9 h ALA 216 Cb -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hf9 h ALA 216 CO -0.07 0.43 -0.94 0.82 0.00 0.00 0.00 179.25 179.50 3hf9 h ILE 217 N 0.91 1.33 0.20 0.00 2.04 0.09 -2.59 117.51 119.50 3hf9 h ILE 217 Ca 0.22 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 3hf9 h ILE 217 Cb 0.15 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3hf9 h ILE 217 CO -0.02 0.69 -0.10 0.40 0.00 0.00 0.00 178.15 179.12 3hf9 h ILE 218 N 0.35 0.00 -1.43 -0.67 2.04 -0.97 -3.20 117.51 113.62 3hf9 h ILE 218 Ca -0.09 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.19 3hf9 h ILE 218 Cb 1.57 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3hf9 h ILE 218 CO 0.18 0.00 1.00 -0.33 0.00 0.00 0.00 178.15 178.99 3hf9 h GLU 219 N -0.27 0.06 0.00 2.37 4.39 -0.95 0.69 114.58 120.87 3hf9 h GLU 219 Ca -0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3hf9 h GLU 219 Cb 0.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hf9 h GLU 219 CO 0.04 0.04 0.00 0.45 -1.16 0.00 0.00 179.01 178.38 3hf9 n SER 220 N -4.27 0.00 0.00 1.42 2.88 -0.98 -2.38 113.62 110.29 3hf9 n SER 220 Ca 0.34 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 3hf9 n SER 220 Cb 1.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.93 3hf9 n SER 220 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hf9 n ARG 221 N -0.76 0.38 0.00 -1.46 1.74 0.24 -5.07 116.66 111.73 3hf9 n ARG 221 Ca 0.09 -0.52 0.16 0.00 -0.77 0.00 0.00 57.85 56.81 3hf9 n ARG 221 Cb 0.04 -0.63 0.87 0.00 -1.02 0.00 0.00 32.46 31.73 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54