#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 3.05 0.02 12.58 -1.09 -0.41 -2.76 121.20 132.59 3hf9 s ILE 3 Ca 0.00 -1.26 0.02 0.00 -2.23 0.00 0.00 60.65 57.18 3hf9 s ILE 3 Cb 0.00 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.50 3hf9 s ILE 3 CO 0.00 0.21 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.17 3hf9 s VAL 4 N -1.07 0.43 -0.15 2.92 1.01 0.36 -1.68 120.40 122.21 3hf9 s VAL 4 Ca 0.18 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 3hf9 s VAL 4 Cb -0.11 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.86 3hf9 s VAL 4 CO 0.09 -0.18 0.38 0.00 0.00 0.00 0.00 175.10 175.39 3hf9 s ALA 5 N -0.84 -0.95 0.03 5.51 0.00 -0.37 -0.94 121.76 124.20 3hf9 s ALA 5 Ca -0.05 1.19 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 3hf9 s ALA 5 Cb -0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3hf9 s ALA 5 CO 0.00 -0.20 0.13 -0.48 0.00 0.00 0.00 175.76 175.21 3hf9 s LEU 6 N 0.59 1.63 0.03 0.00 0.05 -0.52 -0.93 118.68 119.52 3hf9 s LEU 6 Ca -0.03 -0.41 -0.17 0.00 0.05 0.00 0.00 54.13 53.57 3hf9 s LEU 6 Cb -0.05 0.71 -0.06 0.00 -2.05 0.00 0.00 46.19 44.74 3hf9 s LEU 6 CO -0.04 -0.49 0.48 -0.54 -0.55 0.00 0.00 176.35 175.21 3hf9 s LYS 7 N -2.30 4.05 0.36 1.48 1.02 0.97 -1.05 119.74 124.26 3hf9 s LYS 7 Ca -0.07 0.55 0.04 0.00 0.02 0.00 0.00 55.97 56.51 3hf9 s LYS 7 Cb -0.03 -3.23 -0.06 0.00 -0.52 0.00 0.00 37.83 33.99 3hf9 s LYS 7 CO -0.03 0.66 0.06 1.52 -0.92 0.00 0.00 175.35 176.63 3hf9 s TYR 8 N -1.05 2.03 -0.30 3.18 -0.85 -0.80 -4.92 117.35 114.64 3hf9 s TYR 8 Ca 0.26 -0.95 -0.29 0.00 -0.52 0.00 0.00 57.07 55.58 3hf9 s TYR 8 Cb -0.18 -1.36 -0.02 0.00 0.38 0.00 0.00 41.96 40.78 3hf9 s TYR 8 CO 0.16 0.05 1.75 -2.14 -1.52 0.00 0.00 175.55 173.85 3hf9 s PRO 9 N -3.84 3.47 0.00 -3.49 0.02 -1.26 -2.16 135.00 127.73 3hf9 s PRO 9 Ca 0.33 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.85 3hf9 s PRO 9 Cb 0.08 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.45 3hf9 s PRO 9 CO 0.15 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 3hf9 n GLY 10 N 5.22 0.48 0.00 0.52 0.00 0.10 -4.74 105.19 106.78 3hf9 n GLY 10 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3hf9 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 11 N -1.79 1.25 3.14 -0.02 0.00 -0.92 -4.12 105.19 102.73 3hf9 n GLY 11 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.41 0.63 0.07 1.61 -7.23 -0.80 -1.90 120.40 110.36 3hf9 s VAL 12 Ca 0.00 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 3hf9 s VAL 12 Cb 0.00 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 3hf9 s VAL 12 CO 0.00 -0.78 -0.18 0.54 -0.31 0.00 0.00 175.10 174.37 3hf9 s VAL 13 N -3.18 1.45 0.01 1.32 0.11 -0.22 -1.38 120.40 118.51 3hf9 s VAL 13 Ca 0.07 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 3hf9 s VAL 13 Cb 0.02 -1.31 -0.01 0.00 -1.53 0.00 0.00 36.38 33.55 3hf9 s VAL 13 CO -0.04 -0.02 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.38 3hf9 s MET 14 N -1.54 0.09 -0.01 1.54 1.75 -0.46 -1.44 119.30 119.23 3hf9 s MET 14 Ca 0.04 -0.18 -0.15 0.00 -1.25 0.00 0.00 55.69 54.15 3hf9 s MET 14 Cb -0.09 0.03 0.02 0.00 2.84 0.00 0.00 34.83 37.63 3hf9 s MET 14 CO 0.03 -0.01 0.31 0.00 -0.65 0.00 0.00 175.02 174.69 3hf9 s ALA 15 N -0.43 -0.78 -0.14 4.11 0.00 -0.12 -0.39 121.76 124.01 3hf9 s ALA 15 Ca -0.05 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 3hf9 s ALA 15 Cb -0.03 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.20 3hf9 s ALA 15 CO -0.00 -0.26 0.37 0.20 0.00 0.00 0.00 175.76 176.06 3hf9 s GLY 16 N -1.32 -0.28 1.33 0.00 0.00 -0.67 -0.49 107.32 105.89 3hf9 s GLY 16 Ca -0.14 1.08 -0.20 0.00 0.00 0.00 0.00 44.72 45.47 3hf9 s GLY 16 CO 0.04 0.98 0.98 0.51 0.00 0.00 0.00 173.10 175.61 3hf9 s ASP 17 N 0.34 -0.26 0.00 1.64 3.84 -1.11 -2.02 116.67 119.10 3hf9 s ASP 17 Ca -0.01 0.98 0.02 0.00 -0.00 0.00 0.00 52.55 53.53 3hf9 s ASP 17 Cb -0.03 -1.44 0.01 0.00 -1.38 0.00 0.00 42.92 40.08 3hf9 s ASP 17 CO -0.01 -4.89 0.52 0.54 -0.00 0.00 0.00 175.17 171.33 3hf9 n ARG 18 N -5.33 -0.31 -1.88 2.11 5.12 -1.26 -4.56 116.66 110.54 3hf9 n ARG 18 Ca 0.10 -0.55 -0.31 0.00 -1.93 0.00 0.00 57.85 55.16 3hf9 n ARG 18 Cb 0.59 -1.00 0.01 0.00 -1.16 0.00 0.00 32.46 30.90 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 -0.19 3.60 -0.19 5.56 6.06 -1.26 -1.71 118.95 130.81 3hf9 s ARG 19 Ca 0.02 0.76 -0.17 0.00 -2.50 0.00 0.00 55.73 53.84 3hf9 s ARG 19 Cb 0.01 -2.08 0.05 0.00 0.06 0.00 0.00 34.95 32.99 3hf9 s ARG 19 CO 0.02 -0.57 0.50 -1.54 -2.50 0.00 0.00 175.30 171.21 3hf9 s SER 20 N -4.12 -0.53 0.22 -2.12 1.04 -0.90 -4.85 113.70 102.44 3hf9 s SER 20 Ca 0.55 1.02 0.11 0.00 0.48 0.00 0.00 55.95 58.11 3hf9 s SER 20 Cb -0.11 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.99 3hf9 s SER 20 CO 0.53 -0.18 -0.20 0.42 0.98 0.00 0.00 173.24 174.80 3hf9 s THR 21 N 0.34 2.56 -0.61 2.02 -4.23 -1.26 -1.00 115.64 113.47 3hf9 s THR 21 Ca -0.01 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 3hf9 s THR 21 Cb -0.04 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.68 3hf9 s THR 21 CO -0.00 -0.22 0.40 -1.58 -0.54 0.00 0.00 174.62 172.68 3hf9 s GLN 22 N -3.02 2.07 6.90 3.99 0.74 -0.34 -4.83 119.66 125.17 3hf9 s GLN 22 Ca 0.25 -2.93 0.00 0.00 0.05 0.00 0.00 55.36 52.73 3hf9 s GLN 22 Cb -0.07 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.98 3hf9 s GLN 22 CO 0.13 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.03 3hf9 n GLY 23 N 2.46 2.00 0.08 2.59 0.00 -1.26 -3.17 105.19 107.89 3hf9 n GLY 23 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 8.45 0.84 -4.77 1.61 3.02 -1.26 -4.94 115.26 118.22 3hf9 n ASN 24 Ca 0.00 0.40 -0.41 0.00 -0.03 0.00 0.00 54.58 54.54 3hf9 n ASN 24 Cb 0.00 -0.01 -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 -2.63 4.27 -0.29 3.52 -1.94 -1.19 -4.98 119.30 116.06 3hf9 s MET 25 Ca -0.05 2.28 -0.24 0.00 -1.71 0.00 0.00 55.69 55.98 3hf9 s MET 25 Cb 0.08 -3.02 -0.00 0.00 2.01 0.00 0.00 34.83 33.90 3hf9 s MET 25 CO 0.82 -0.29 0.80 0.42 -0.01 0.00 0.00 175.02 176.77 3hf9 s ILE 26 N -1.15 4.79 -0.80 2.53 1.01 -1.26 -1.20 121.20 125.12 3hf9 s ILE 26 Ca 0.50 1.28 0.14 0.00 0.00 0.00 0.00 60.65 62.58 3hf9 s ILE 26 Cb -0.41 -4.15 -0.12 0.00 0.01 0.00 0.00 42.46 37.79 3hf9 s ILE 26 CO 0.55 -0.22 0.64 -1.54 0.00 0.00 0.00 174.94 174.37 3hf9 n SER 27 N 6.18 0.83 -3.65 3.58 3.41 -0.17 -4.92 113.62 118.88 3hf9 n SER 27 Ca 0.04 -0.92 -0.14 0.00 -0.26 0.00 0.00 58.87 57.59 3hf9 n SER 27 Cb 0.48 0.90 -0.08 0.00 -0.26 0.00 0.00 64.21 65.25 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 -2.23 -0.44 0.00 5.00 0.00 -0.66 -4.93 107.32 104.06 3hf9 s GLY 28 Ca 0.07 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.29 3hf9 s GLY 28 CO 0.54 1.25 0.25 0.54 0.00 0.00 0.00 173.10 175.67 3hf9 n ARG 29 N 2.30 3.37 0.00 2.90 1.74 -1.26 -2.12 116.66 123.59 3hf9 n ARG 29 Ca -0.15 -0.24 0.02 0.00 -0.77 0.00 0.00 57.85 56.71 3hf9 n ARG 29 Cb 0.56 -0.74 0.01 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.54 1.02 -4.66 0.55 5.68 -1.15 -4.60 116.55 112.85 3hf9 n ASP 30 Ca 0.00 -1.01 -0.42 0.00 -0.50 0.00 0.00 54.79 52.86 3hf9 n ASP 30 Cb 0.01 0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.28 3hf9 n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hf9 s VAL 31 N -0.71 3.00 -0.15 2.12 1.01 -0.69 -4.98 120.40 119.99 3hf9 s VAL 31 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 3hf9 s VAL 31 Cb 0.04 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3hf9 s VAL 31 CO 0.10 -0.00 0.73 -0.13 0.00 0.00 0.00 175.10 175.79 3hf9 s ARG 32 N 4.62 4.30 -0.00 2.72 0.52 -1.26 -4.28 118.95 125.57 3hf9 s ARG 32 Ca 0.90 0.84 0.04 0.00 -0.52 0.00 0.00 55.73 56.99 3hf9 s ARG 32 Cb -0.42 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 3hf9 s ARG 32 CO 0.41 -0.20 0.17 1.63 0.02 0.00 0.00 175.30 177.33 3hf9 n LYS 33 N 4.81 4.75 -4.53 3.54 5.02 -1.26 -4.75 118.16 125.73 3hf9 n LYS 33 Ca 0.01 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3hf9 n LYS 33 Cb 0.50 -0.76 -0.14 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.54 3.21 0.09 -0.18 1.01 -1.26 -2.53 120.40 119.20 3hf9 s VAL 34 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3hf9 s VAL 34 Cb 0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3hf9 s VAL 34 CO 0.18 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.38 3hf9 s TYR 35 N 0.60 0.97 -0.49 5.22 1.51 -0.72 -4.99 117.35 119.45 3hf9 s TYR 35 Ca -0.06 -0.70 -0.19 0.00 -1.01 0.00 0.00 57.07 55.10 3hf9 s TYR 35 Cb -0.15 -0.54 0.05 0.00 -0.11 0.00 0.00 41.96 41.21 3hf9 s TYR 35 CO 0.03 -0.05 0.62 0.42 -1.11 0.00 0.00 175.55 175.46 3hf9 s ILE 36 N -2.61 4.88 0.19 2.71 1.01 -1.26 -1.06 121.20 125.06 3hf9 s ILE 36 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3hf9 s ILE 36 Cb -0.02 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.24 3hf9 s ILE 36 CO -0.01 -0.74 1.63 0.71 0.00 0.00 0.00 174.94 176.53 3hf9 h THR 37 N 5.86 1.27 -2.68 2.92 1.35 -1.56 -3.48 112.91 116.58 3hf9 h THR 37 Ca -0.27 -1.24 -0.08 0.00 -0.55 0.00 0.00 66.41 64.27 3hf9 h THR 37 Cb 1.10 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 3hf9 h THR 37 CO 0.94 0.43 -0.01 -0.90 -0.25 0.00 0.00 175.52 175.73 3hf9 n ASP 38 N -4.15 -0.63 -0.34 5.36 3.85 -0.93 -4.41 116.55 115.31 3hf9 n ASP 38 Ca 0.02 -1.71 -0.03 0.00 -0.71 0.00 0.00 54.79 52.35 3hf9 n ASP 38 Cb 0.39 1.13 0.09 0.00 -1.35 0.00 0.00 41.12 41.38 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3hf9 h ASP 39 N 0.77 1.04 -0.37 -1.12 3.32 -1.93 -3.15 116.42 114.99 3hf9 h ASP 39 Ca -0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3hf9 h ASP 39 Cb 0.47 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3hf9 h ASP 39 CO 0.15 0.76 0.00 -1.22 -1.72 0.00 0.00 179.24 177.21 3hf9 n TYR 40 N -4.45 0.62 -4.01 4.55 4.02 -1.26 0.14 117.16 116.78 3hf9 n TYR 40 Ca 0.10 -0.57 -0.08 0.00 -0.01 0.00 0.00 57.90 57.34 3hf9 n TYR 40 Cb 0.02 -0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.15 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 -1.34 0.15 -0.05 -0.72 -4.23 -1.19 -1.05 115.64 107.21 3hf9 s THR 41 Ca 0.29 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 3hf9 s THR 41 Cb 0.17 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 73.21 3hf9 s THR 41 CO 0.16 -0.70 0.29 0.00 -0.54 0.00 0.00 174.62 173.83 3hf9 s ALA 42 N -2.55 -0.72 -0.02 3.99 0.00 0.47 -1.37 121.76 121.56 3hf9 s ALA 42 Ca -0.06 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.44 3hf9 s ALA 42 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3hf9 s ALA 42 CO -0.05 -0.21 -0.25 0.95 0.00 0.00 0.00 175.76 176.20 3hf9 s THR 43 N -0.80 2.01 -0.06 0.00 -4.23 -0.23 -0.72 115.64 111.63 3hf9 s THR 43 Ca -0.09 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 3hf9 s THR 43 Cb -0.04 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.11 3hf9 s THR 43 CO 0.03 0.57 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.61 3hf9 s GLY 44 N -0.55 1.22 -0.08 3.99 0.00 -0.43 -1.75 107.32 109.72 3hf9 s GLY 44 Ca 0.08 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.88 3hf9 s GLY 44 CO -0.01 -0.57 -0.22 -0.42 0.00 0.00 0.00 173.10 171.88 3hf9 s ILE 45 N -0.10 1.90 -1.46 0.90 1.09 -1.05 -0.99 121.20 121.50 3hf9 s ILE 45 Ca -0.04 -0.95 -0.12 0.00 -1.10 0.00 0.00 60.65 58.44 3hf9 s ILE 45 Cb -0.13 -1.63 0.04 0.00 -1.06 0.00 0.00 42.46 39.67 3hf9 s ILE 45 CO 0.04 0.53 2.35 0.00 -0.10 0.00 0.00 174.94 177.76 3hf9 n ALA 46 N 3.33 6.10 -3.00 9.38 0.00 -1.26 -4.81 120.51 130.25 3hf9 n ALA 46 Ca -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.36 3hf9 n ALA 46 Cb 0.53 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.64 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 3.55 4.31 3.71 0.00 0.00 -1.26 -4.92 105.19 110.59 3hf9 n GLY 47 Ca 0.57 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.71 2.66 0.24 2.61 -4.23 -1.26 -4.80 115.64 109.16 3hf9 s THR 48 Ca 0.00 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 3hf9 s THR 48 Cb 0.00 -2.47 0.21 0.00 1.34 0.00 0.00 72.50 71.59 3hf9 s THR 48 CO 0.00 -0.28 1.73 0.00 -0.54 0.00 0.00 174.62 175.53 3hf9 h ALA 49 N -1.54 1.03 -0.32 3.99 0.00 -1.96 -2.41 119.26 118.05 3hf9 h ALA 49 Ca -0.44 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3hf9 h ALA 49 Cb 1.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3hf9 h ALA 49 CO 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.46 3hf9 h ALA 50 N 1.54 0.43 -0.29 0.00 0.00 -1.92 -2.89 119.26 116.13 3hf9 h ALA 50 Ca 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 50 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hf9 h ALA 50 CO -0.41 0.22 0.19 0.28 0.00 0.00 0.00 179.25 179.53 3hf9 h VAL 51 N 0.37 1.08 -0.83 0.00 2.07 -1.83 0.19 116.25 117.31 3hf9 h VAL 51 Ca 0.09 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hf9 h VAL 51 Cb 0.50 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3hf9 h VAL 51 CO 0.02 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.21 3hf9 h ALA 52 N 1.09 1.11 0.04 1.67 0.00 -1.41 -1.75 119.26 120.01 3hf9 h ALA 52 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 52 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hf9 h ALA 52 CO -0.02 0.29 -0.02 0.28 0.00 0.00 0.00 179.25 179.78 3hf9 h VAL 53 N 0.97 1.24 -0.51 0.00 2.07 -1.24 -2.70 116.25 116.08 3hf9 h VAL 53 Ca 0.35 -1.70 0.11 0.00 0.82 0.00 0.00 66.70 66.27 3hf9 h VAL 53 Cb 0.10 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3hf9 h VAL 53 CO -0.15 0.38 0.35 -0.33 0.02 0.00 0.00 177.57 177.85 3hf9 h GLU 54 N -0.91 0.21 0.08 1.57 4.39 -0.58 0.47 114.58 119.80 3hf9 h GLU 54 Ca -0.01 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3hf9 h GLU 54 Cb 0.67 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3hf9 h GLU 54 CO 0.01 0.14 -0.04 0.35 -1.16 0.00 0.00 179.01 178.31 3hf9 h PHE 55 N 0.21 -0.10 -0.69 4.33 3.04 -1.39 -2.61 116.94 119.74 3hf9 h PHE 55 Ca 0.24 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.28 3hf9 h PHE 55 Cb 0.67 0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.14 3hf9 h PHE 55 CO -0.00 0.45 0.32 0.00 -2.02 0.00 0.00 178.31 177.06 3hf9 h ALA 56 N -0.24 0.93 -0.31 2.41 0.00 -1.05 -0.97 119.26 120.03 3hf9 h ALA 56 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 56 Cb 0.59 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hf9 h ALA 56 CO 0.02 -0.09 0.04 -0.09 0.00 0.00 0.00 179.25 179.13 3hf9 h ARG 57 N 0.55 0.14 -0.32 0.00 2.43 -0.13 0.11 114.38 117.16 3hf9 h ARG 57 Ca 0.34 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 3hf9 h ARG 57 Cb 0.38 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3hf9 h ARG 57 CO -0.28 0.09 0.14 1.25 -1.51 0.00 0.00 179.97 179.66 3hf9 h LEU 58 N 0.15 0.44 -0.49 3.80 5.85 -1.03 -1.78 115.31 122.24 3hf9 h LEU 58 Ca 0.15 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hf9 h LEU 58 Cb 0.17 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hf9 h LEU 58 CO -0.21 0.47 0.30 0.22 -0.34 0.00 0.00 178.44 178.88 3hf9 h TYR 59 N 0.38 0.63 -0.67 1.25 3.20 -0.67 -0.99 116.97 120.10 3hf9 h TYR 59 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3hf9 h TYR 59 Cb 0.17 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3hf9 h TYR 59 CO -0.01 0.43 0.37 0.00 -1.64 0.00 0.00 178.16 177.31 3hf9 h ALA 60 N 1.15 0.86 -0.25 1.82 0.00 -0.58 -0.69 119.26 121.57 3hf9 h ALA 60 Ca 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 60 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3hf9 h ALA 60 CO -0.03 0.37 0.16 0.28 0.00 0.00 0.00 179.25 180.03 3hf9 h VAL 61 N 0.92 1.09 -0.30 0.00 2.07 -0.96 -1.49 116.25 117.57 3hf9 h VAL 61 Ca 0.24 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3hf9 h VAL 61 Cb 0.03 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3hf9 h VAL 61 CO -0.04 0.08 -0.10 -0.33 0.02 0.00 0.00 177.57 177.21 3hf9 h GLU 62 N 0.32 -0.03 -0.09 1.57 5.08 -0.46 0.23 114.58 121.20 3hf9 h GLU 62 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hf9 h GLU 62 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hf9 h GLU 62 CO -0.02 -0.02 0.06 -0.07 -1.00 0.00 0.00 179.01 177.96 3hf9 h LEU 63 N -0.03 0.09 -0.35 1.33 3.38 -0.81 -1.66 115.31 117.26 3hf9 h LEU 63 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3hf9 h LEU 63 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3hf9 h LEU 63 CO -0.33 0.07 -0.11 -0.08 0.09 0.00 0.00 178.44 178.08 3hf9 h GLU 64 N 0.12 0.69 -0.75 1.13 4.81 -1.13 -2.38 114.58 117.06 3hf9 h GLU 64 Ca 0.04 -0.27 0.17 0.00 -0.13 0.00 0.00 59.36 59.16 3hf9 h GLU 64 Cb -0.01 -0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.21 3hf9 h GLU 64 CO -0.02 0.86 -0.03 1.25 -0.73 0.00 0.00 179.01 180.34 3hf9 h HIS 65 N 0.47 -0.12 -0.69 0.92 2.76 -0.38 0.78 115.15 118.90 3hf9 h HIS 65 Ca 0.09 0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3hf9 h HIS 65 Cb 0.62 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 3hf9 h HIS 65 CO 0.05 -0.26 0.17 -0.92 -1.30 0.00 0.00 177.93 175.68 3hf9 h TYR 66 N 0.08 1.15 -0.48 5.26 3.20 -0.96 -1.59 116.97 123.63 3hf9 h TYR 66 Ca 0.40 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 3hf9 h TYR 66 Cb 0.69 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3hf9 h TYR 66 CO -0.46 0.94 0.07 1.49 -1.64 0.00 0.00 178.16 178.56 3hf9 h GLU 67 N 1.03 0.80 -0.67 1.82 4.81 -0.69 0.82 114.58 122.50 3hf9 h GLU 67 Ca 0.22 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3hf9 h GLU 67 Cb 0.36 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3hf9 h GLU 67 CO 0.00 0.81 0.18 0.87 -0.73 0.00 0.00 179.01 180.15 3hf9 h LYS 68 N 0.67 1.05 -0.44 1.92 1.57 -0.74 0.29 116.57 120.89 3hf9 h LYS 68 Ca 0.14 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3hf9 h LYS 68 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hf9 h LYS 68 CO 0.01 0.92 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.53 3hf9 h LEU 69 N 1.01 0.95 -1.29 2.94 3.38 -0.97 -3.35 115.31 117.97 3hf9 h LEU 69 Ca 0.22 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hf9 h LEU 69 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hf9 h LEU 69 CO -0.00 1.14 -0.08 -0.62 0.09 0.00 0.00 178.44 178.96 3hf9 n GLU 70 N -4.17 1.19 0.00 1.13 -0.58 0.25 -4.98 120.64 113.48 3hf9 n GLU 70 Ca -0.01 -1.10 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 3hf9 n GLU 70 Cb 0.44 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.83 2.86 3.32 0.62 0.00 0.10 -4.96 105.19 107.96 3hf9 n GLY 71 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.11 1.39 0.60 1.61 -7.23 -1.24 -4.95 120.40 109.46 3hf9 s VAL 72 Ca 0.00 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 57.91 3hf9 s VAL 72 Cb 0.00 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3hf9 s VAL 72 CO 0.00 -0.57 1.04 -2.84 -0.31 0.00 0.00 175.10 172.42 3hf9 s PRO 73 N -3.73 3.42 0.62 4.82 0.02 -1.26 -4.01 135.00 134.87 3hf9 s PRO 73 Ca 0.22 1.06 -0.19 0.00 0.02 0.00 0.00 61.00 62.12 3hf9 s PRO 73 Cb 0.02 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 3hf9 s PRO 73 CO 0.05 -0.72 1.28 -0.51 -0.33 0.00 0.00 177.00 176.78 3hf9 s LEU 74 N -4.65 3.64 0.96 -5.54 1.43 -1.26 -5.02 118.68 108.23 3hf9 s LEU 74 Ca 0.61 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 56.19 3hf9 s LEU 74 Cb -0.14 -4.56 0.17 0.00 0.03 0.00 0.00 46.19 41.68 3hf9 s LEU 74 CO 0.40 -1.85 1.10 0.42 0.23 0.00 0.00 176.35 176.65 3hf9 s THR 75 N -1.42 2.35 0.16 5.49 -4.23 -1.26 -4.71 115.64 112.03 3hf9 s THR 75 Ca 0.80 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 61.27 3hf9 s THR 75 Cb -0.36 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.20 3hf9 s THR 75 CO 0.39 -0.15 1.77 0.15 -0.54 0.00 0.00 174.62 176.24 3hf9 h PHE 76 N -1.90 0.34 -0.71 3.99 3.57 -1.96 -0.13 116.94 120.15 3hf9 h PHE 76 Ca -0.49 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.18 3hf9 h PHE 76 Cb 1.28 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 3hf9 h PHE 76 CO 0.43 0.16 0.11 0.00 -2.23 0.00 0.00 178.31 176.79 3hf9 h ALA 77 N 1.24 0.85 -0.59 2.41 0.00 -2.00 0.11 119.26 121.28 3hf9 h ALA 77 Ca 0.18 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.32 3hf9 h ALA 77 Cb 0.12 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hf9 h ALA 77 CO -0.15 -0.37 0.33 0.78 0.00 0.00 0.00 179.25 179.85 3hf9 h GLY 78 N 0.21 0.85 0.76 0.00 0.00 -1.43 -0.16 103.07 103.31 3hf9 h GLY 78 Ca 0.39 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3hf9 h GLY 78 CO -0.53 0.17 0.28 0.50 0.00 0.00 0.00 176.54 176.96 3hf9 h LYS 79 N 0.64 0.54 -0.32 4.80 1.57 0.73 -1.40 116.57 123.13 3hf9 h LYS 79 Ca 0.26 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3hf9 h LYS 79 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3hf9 h LYS 79 CO -0.15 0.36 0.20 0.82 -0.57 0.00 0.00 179.45 180.11 3hf9 h ILE 80 N 0.55 1.10 0.16 1.86 2.04 -0.49 -1.82 117.51 120.92 3hf9 h ILE 80 Ca 0.23 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3hf9 h ILE 80 Cb 0.11 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3hf9 h ILE 80 CO -0.14 0.10 -0.50 -1.13 0.00 0.00 0.00 178.15 176.48 3hf9 h ASN 81 N 0.42 -1.49 -1.00 1.72 -1.24 -0.47 0.13 115.58 113.65 3hf9 h ASN 81 Ca 0.11 0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.41 3hf9 h ASN 81 Cb -0.00 0.54 -0.09 0.00 0.73 0.00 0.00 38.32 39.50 3hf9 h ASN 81 CO -0.02 -0.56 0.62 0.03 -1.29 0.00 0.00 177.43 176.21 3hf9 h ARG 82 N -0.76 0.93 -0.01 6.67 2.47 -1.23 0.78 114.38 123.23 3hf9 h ARG 82 Ca -0.00 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3hf9 h ARG 82 Cb 0.76 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 3hf9 h ARG 82 CO -0.26 0.61 -0.07 1.25 0.56 0.00 0.00 179.97 182.07 3hf9 h LEU 83 N 0.96 -0.20 -0.49 3.04 6.46 -0.46 -0.58 115.31 124.03 3hf9 h LEU 83 Ca 0.50 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.29 3hf9 h LEU 83 Cb 0.54 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 3hf9 h LEU 83 CO -0.28 -0.10 0.29 0.00 -0.62 0.00 0.00 178.44 177.73 3hf9 h ALA 84 N 0.88 0.63 -0.36 1.25 0.00 0.49 0.11 119.26 122.25 3hf9 h ALA 84 Ca 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hf9 h ALA 84 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3hf9 h ALA 84 CO -0.08 0.12 0.09 0.82 0.00 0.00 0.00 179.25 180.21 3hf9 h ILE 85 N 0.66 0.85 -0.63 0.00 2.04 -0.73 0.95 117.51 120.65 3hf9 h ILE 85 Ca 0.18 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3hf9 h ILE 85 Cb 0.00 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 3hf9 h ILE 85 CO -0.03 0.04 0.36 -0.03 0.00 0.00 0.00 178.15 178.49 3hf9 h MET 86 N 0.22 0.67 0.04 2.37 4.05 -0.24 0.35 114.93 122.40 3hf9 h MET 86 Ca 0.17 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3hf9 h MET 86 Cb 0.18 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3hf9 h MET 86 CO -0.21 0.45 -0.02 0.28 0.23 0.00 0.00 176.91 177.64 3hf9 h VAL 87 N 0.69 1.09 -0.09 -5.77 2.07 0.10 -2.41 116.25 111.93 3hf9 h VAL 87 Ca 0.27 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3hf9 h VAL 87 Cb 0.10 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3hf9 h VAL 87 CO -0.14 0.11 0.01 0.03 0.02 0.00 0.00 177.57 177.59 3hf9 h ARG 88 N -0.25 0.13 -0.55 1.57 3.08 -0.71 -1.95 114.38 115.70 3hf9 h ARG 88 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 88 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3hf9 h ARG 88 CO 0.01 0.14 0.31 0.78 -1.07 0.00 0.00 179.97 180.14 3hf9 h GLY 89 N 0.28 0.80 1.27 0.04 0.00 -0.44 -2.87 103.07 102.14 3hf9 h GLY 89 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3hf9 h GLY 89 CO 0.00 0.33 -0.68 3.43 0.00 0.00 0.00 176.54 179.62 3hf9 h ASN 90 N 0.76 0.00 1.03 0.19 2.35 -1.01 -3.14 115.58 115.76 3hf9 h ASN 90 Ca 0.20 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3hf9 h ASN 90 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3hf9 h ASN 90 CO -0.03 0.03 -0.39 0.18 -1.65 0.00 0.00 177.43 175.57 3hf9 n LEU 91 N -2.61 0.68 -0.02 1.61 4.77 -0.98 -3.72 117.00 116.73 3hf9 n LEU 91 Ca 0.02 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 3hf9 n LEU 91 Cb 0.52 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3hf9 n LEU 91 CO 0.38 -0.08 -0.73 0.00 -1.33 0.00 0.00 177.39 175.63 3hf9 n ALA 92 N -1.77 0.85 -0.03 -1.18 0.00 -1.10 -5.10 120.51 112.18 3hf9 n ALA 92 Ca 0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 3hf9 n ALA 92 Cb 0.42 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 3hf9 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hf9 h ALA 93 N -0.07 -0.37 -2.12 0.00 0.00 -1.63 -3.52 119.26 111.55 3hf9 h ALA 93 Ca -0.40 0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.95 3hf9 h ALA 93 Cb 1.86 0.68 -0.42 0.00 0.00 0.00 0.00 17.79 19.91 3hf9 h ALA 93 CO 0.02 -0.81 -0.62 1.28 0.00 0.00 0.00 179.25 179.12 3hf9 n LEU 99 N -5.42 4.61 -4.38 0.00 4.77 -1.26 -5.07 117.00 110.25 3hf9 n LEU 99 Ca -0.02 -5.59 -0.45 0.00 -0.03 0.00 0.00 56.01 49.92 3hf9 n LEU 99 Cb 0.34 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3hf9 n LEU 99 CO 0.12 2.33 0.47 0.00 -1.33 0.00 0.00 177.39 178.98 3hf9 s ALA 100 N -3.51 3.47 -0.30 -1.18 0.00 -1.26 -5.03 121.76 113.94 3hf9 s ALA 100 Ca 0.49 -2.38 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 3hf9 s ALA 100 Cb 0.30 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3hf9 s ALA 100 CO -0.15 -2.41 0.21 -0.51 0.00 0.00 0.00 175.76 172.90 3hf9 s LEU 101 N 2.47 4.22 0.69 0.00 2.01 -1.26 -5.01 118.68 121.80 3hf9 s LEU 101 Ca 0.14 -0.20 -0.11 0.00 0.01 0.00 0.00 54.13 53.97 3hf9 s LEU 101 Cb -0.21 -2.12 0.01 0.00 0.01 0.00 0.00 46.19 43.87 3hf9 s LEU 101 CO 0.03 -0.13 1.06 -2.84 1.01 0.00 0.00 176.35 175.49 3hf9 s PRO 102 N 1.74 2.98 -0.09 1.29 0.02 -1.26 -4.30 135.00 135.37 3hf9 s PRO 102 Ca 0.07 0.78 -0.00 0.00 0.02 0.00 0.00 61.00 61.87 3hf9 s PRO 102 Cb -0.17 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3hf9 s PRO 102 CO 0.11 -1.03 -0.06 -1.17 -0.33 0.00 0.00 177.00 174.52 3hf9 s LEU 103 N -5.46 1.12 -0.14 -5.54 0.20 -0.16 -3.02 118.68 105.69 3hf9 s LEU 103 Ca 0.58 -0.24 -0.02 0.00 0.69 0.00 0.00 54.13 55.14 3hf9 s LEU 103 Cb -0.13 -0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 44.89 3hf9 s LEU 103 CO 0.54 -0.11 -0.08 -0.22 -0.29 0.00 0.00 176.35 176.19 3hf9 s LEU 104 N 1.58 3.02 -0.06 -0.68 2.96 0.97 -1.31 118.68 125.16 3hf9 s LEU 104 Ca 0.01 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3hf9 s LEU 104 Cb -0.13 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3hf9 s LEU 104 CO -0.05 0.19 -0.17 0.00 -1.32 0.00 0.00 176.35 174.99 3hf9 s ALA 105 N 0.24 2.53 0.25 5.97 0.00 0.11 -1.17 121.76 129.69 3hf9 s ALA 105 Ca -0.05 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 3hf9 s ALA 105 Cb -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3hf9 s ALA 105 CO 0.04 0.50 0.62 0.20 0.00 0.00 0.00 175.76 177.12 3hf9 s GLY 106 N -0.51 0.06 -0.07 0.00 0.00 -0.81 -0.39 107.32 105.59 3hf9 s GLY 106 Ca 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3hf9 s GLY 106 CO 0.01 -0.25 -0.16 -0.47 0.00 0.00 0.00 173.10 172.23 3hf9 s TYR 107 N -3.93 1.83 -0.50 1.90 5.04 -0.22 -0.49 117.35 120.98 3hf9 s TYR 107 Ca 0.13 -0.70 -0.16 0.00 -2.44 0.00 0.00 57.07 53.90 3hf9 s TYR 107 Cb -0.04 -1.28 0.08 0.00 0.35 0.00 0.00 41.96 41.07 3hf9 s TYR 107 CO 0.05 -0.32 0.48 0.34 -1.34 0.00 0.00 175.55 174.77 3hf9 s ASP 108 N 0.52 6.17 0.29 4.32 2.15 -0.20 -4.87 116.67 125.05 3hf9 s ASP 108 Ca -0.15 -1.34 0.05 0.00 0.43 0.00 0.00 52.55 51.53 3hf9 s ASP 108 Cb -0.16 -2.22 0.44 0.00 -0.30 0.00 0.00 42.92 40.68 3hf9 s ASP 108 CO 0.05 -0.76 1.71 0.16 -0.17 0.00 0.00 175.17 176.16 3hf9 h ILE 109 N 5.81 1.28 0.00 4.11 3.07 -1.98 -2.23 117.51 127.57 3hf9 h ILE 109 Ca -0.29 -1.38 0.00 0.00 1.55 0.00 0.00 64.86 64.74 3hf9 h ILE 109 Cb 1.10 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 3hf9 h ILE 109 CO 0.94 0.42 0.00 1.41 -1.05 0.00 0.00 178.15 179.87 3hf9 n HIS 110 N -4.08 0.00 -2.38 0.16 8.25 -1.26 -4.80 115.22 111.11 3hf9 n HIS 110 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3hf9 n HIS 110 Cb 0.44 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.27 3.43 0.11 -1.41 0.00 -0.84 -4.94 121.76 115.84 3hf9 s ALA 111 Ca 0.18 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 3hf9 s ALA 111 Cb 0.10 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3hf9 s ALA 111 CO 0.19 -0.32 1.68 0.66 0.00 0.00 0.00 175.76 177.97 3hf9 h SER 112 N 4.39 -0.43 -3.57 0.00 4.64 -1.89 -3.39 113.55 113.30 3hf9 h SER 112 Ca -0.46 0.06 -0.71 0.00 -0.47 0.00 0.00 61.79 60.21 3hf9 h SER 112 Cb 1.21 0.17 -0.20 0.00 -0.31 0.00 0.00 62.40 63.28 3hf9 h SER 112 CO 0.70 -0.22 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.39 3hf9 s ASP 113 N -4.97 6.10 0.33 4.97 3.68 -1.26 -4.97 116.67 120.55 3hf9 s ASP 113 Ca -0.15 -0.75 0.26 0.00 2.13 0.00 0.00 52.55 54.04 3hf9 s ASP 113 Cb 0.08 -2.16 1.10 0.00 -1.45 0.00 0.00 42.92 40.49 3hf9 s ASP 113 CO 0.66 -0.39 1.78 -0.65 0.13 0.00 0.00 175.17 176.70 3hf9 h PRO 114 N 8.59 0.00 -0.33 4.34 0.11 -1.95 -2.84 132.00 139.92 3hf9 h PRO 114 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 3hf9 h PRO 114 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hf9 h PRO 114 CO 0.70 0.00 -0.16 1.96 -0.21 0.00 0.00 178.00 180.29 3hf9 h GLN 115 N 0.00 0.69 -0.98 1.05 1.08 -1.93 -3.29 115.11 111.73 3hf9 h GLN 115 Ca 0.00 -0.30 -0.62 0.00 -1.45 0.00 0.00 58.65 56.28 3hf9 h GLN 115 Cb 0.37 -0.02 -0.37 0.00 -0.05 0.00 0.00 27.48 27.41 3hf9 h GLN 115 CO 0.00 0.90 -0.05 -1.13 -0.95 0.00 0.00 178.83 177.61 3hf9 n SER 116 N -4.35 6.14 -0.42 1.46 3.41 -1.08 0.02 113.62 118.80 3hf9 n SER 116 Ca -0.03 -3.77 0.14 0.00 -0.26 0.00 0.00 58.87 54.95 3hf9 n SER 116 Cb 0.39 -0.64 0.48 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.76 2.72 -1.76 7.33 0.00 -1.16 -4.86 120.51 122.01 3hf9 n ALA 117 Ca 0.52 -0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3hf9 n ALA 117 Cb 0.78 -1.15 0.00 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 -2.15 2.86 -0.01 0.00 0.00 -1.26 -1.03 107.32 105.73 3hf9 s GLY 118 Ca 0.34 1.13 0.01 0.00 0.00 0.00 0.00 44.72 46.20 3hf9 s GLY 118 CO 0.39 1.65 -0.03 0.50 0.00 0.00 0.00 173.10 175.61 3hf9 s ARG 119 N -2.54 0.31 -0.07 2.90 1.81 0.36 -4.90 118.95 116.81 3hf9 s ARG 119 Ca 0.62 -0.09 0.02 0.00 -1.72 0.00 0.00 55.73 54.56 3hf9 s ARG 119 Cb -0.35 -0.33 0.01 0.00 -0.45 0.00 0.00 34.95 33.83 3hf9 s ARG 119 CO 0.43 0.03 -0.12 0.42 -0.68 0.00 0.00 175.30 175.38 3hf9 s ILE 120 N 0.15 1.13 -0.04 1.52 1.01 -1.26 -1.92 121.20 121.79 3hf9 s ILE 120 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3hf9 s ILE 120 Cb -0.04 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3hf9 s ILE 120 CO -0.00 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.52 3hf9 s VAL 121 N 0.82 0.81 0.32 2.92 1.01 -0.32 -1.39 120.40 124.57 3hf9 s VAL 121 Ca -0.12 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3hf9 s VAL 121 Cb -0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 3hf9 s VAL 121 CO 0.02 0.27 0.03 -0.94 0.00 0.00 0.00 175.10 174.48 3hf9 s SER 122 N 0.59 2.53 -0.01 3.32 1.04 -0.59 -0.02 113.70 120.56 3hf9 s SER 122 Ca -0.10 -1.33 0.07 0.00 0.48 0.00 0.00 55.95 55.06 3hf9 s SER 122 Cb -0.13 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 3hf9 s SER 122 CO 0.01 -0.54 -0.21 -0.36 0.98 0.00 0.00 173.24 173.12 3hf9 s PHE 123 N -3.21 1.87 0.80 5.02 0.40 -1.17 -1.51 117.98 120.19 3hf9 s PHE 123 Ca 0.35 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.24 3hf9 s PHE 123 Cb 0.08 -1.19 0.13 0.00 0.51 0.00 0.00 43.02 42.55 3hf9 s PHE 123 CO 0.15 -0.01 1.12 0.16 0.70 0.00 0.00 175.22 177.33 3hf9 s ASP 124 N -0.59 4.06 0.44 1.36 1.47 -0.69 -4.83 116.67 117.90 3hf9 s ASP 124 Ca 0.08 0.13 0.24 0.00 1.18 0.00 0.00 52.55 54.19 3hf9 s ASP 124 Cb -0.08 -0.48 1.26 0.00 -0.34 0.00 0.00 42.92 43.28 3hf9 s ASP 124 CO -0.00 -2.09 1.77 0.00 0.68 0.00 0.00 175.17 175.52 3hf9 h ALA 125 N -0.95 2.52 -0.55 2.11 0.00 -2.01 -1.44 119.26 118.94 3hf9 h ALA 125 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 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 0.46 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3hf9 n ALA 126 N -2.56 2.41 -0.59 0.00 0.00 -1.26 -4.93 120.51 113.58 3hf9 n ALA 126 Ca 0.27 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3hf9 n ALA 126 Cb 1.03 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.53 0.65 3.74 0.00 0.00 -0.54 -4.97 105.19 105.60 3hf9 n GLY 127 Ca 0.21 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.46 2.31 0.77 -0.02 0.00 -1.26 -4.62 107.32 102.04 3hf9 s GLY 128 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 3hf9 s GLY 128 CO 0.00 0.50 1.14 0.66 0.00 0.00 0.00 173.10 175.40 3hf9 s TRP 129 N 0.28 3.10 -0.26 1.90 1.48 -1.26 -1.70 118.94 122.48 3hf9 s TRP 129 Ca 0.21 0.90 -0.14 0.00 -1.06 0.00 0.00 56.10 56.01 3hf9 s TRP 129 Cb -0.14 -3.29 0.08 0.00 -1.16 0.00 0.00 33.47 28.95 3hf9 s TRP 129 CO 0.07 -1.53 0.63 1.21 -4.06 0.00 0.00 176.95 173.27 3hf9 s ASN 130 N -4.44 -0.87 -0.07 -2.66 3.04 -0.57 -4.89 114.94 104.49 3hf9 s ASN 130 Ca 0.60 1.39 -0.15 0.00 0.04 0.00 0.00 52.86 54.74 3hf9 s ASN 130 Cb -0.11 1.31 -0.05 0.00 -1.54 0.00 0.00 41.25 40.86 3hf9 s ASN 130 CO 0.51 -0.23 0.40 -0.63 -3.04 0.00 0.00 177.10 174.10 3hf9 s ILE 131 N 1.67 5.14 -0.33 -5.21 1.01 -1.26 -1.55 121.20 120.67 3hf9 s ILE 131 Ca -0.10 0.79 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 3hf9 s ILE 131 Cb -0.06 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3hf9 s ILE 131 CO -0.18 0.47 0.65 -1.61 0.00 0.00 0.00 174.94 174.27 3hf9 s GLU 132 N -0.30 3.78 0.00 2.79 0.41 -0.49 -4.89 118.70 120.00 3hf9 s GLU 132 Ca 0.23 0.18 0.16 0.00 -0.41 0.00 0.00 54.97 55.13 3hf9 s GLU 132 Cb -0.15 -3.77 0.10 0.00 -1.78 0.00 0.00 34.13 28.52 3hf9 s GLU 132 CO 0.10 -0.68 0.97 0.39 -0.49 0.00 0.00 175.26 175.55 3hf9 n GLU 133 N 6.01 1.34 0.02 1.61 1.02 -1.26 -4.34 120.64 125.04 3hf9 n GLU 133 Ca -0.01 -1.30 0.13 0.00 -0.02 0.00 0.00 57.16 55.96 3hf9 n GLU 133 Cb 0.49 -1.29 0.43 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.67 0.06 0.00 3.49 1.02 -1.26 -4.95 120.64 119.66 3hf9 n GLU 134 Ca 0.09 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3hf9 n GLU 134 Cb 0.38 -1.55 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 1.46 3.14 3.21 0.62 0.00 -1.26 -5.02 105.19 107.34 3hf9 n GLY 135 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hf9 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 136 N -2.89 1.20 -0.07 1.61 1.13 -1.26 -0.02 117.35 117.05 3hf9 s TYR 136 Ca 0.00 -1.38 -0.30 0.00 -1.41 0.00 0.00 57.07 53.97 3hf9 s TYR 136 Cb 0.00 -0.58 0.11 0.00 -1.10 0.00 0.00 41.96 40.40 3hf9 s TYR 136 CO 0.00 -0.64 0.98 -1.14 -2.51 0.00 0.00 175.55 172.24 3hf9 s GLN 137 N -4.13 0.67 -0.08 -3.49 2.00 -0.11 -4.94 119.66 109.58 3hf9 s GLN 137 Ca 0.39 -0.21 -0.21 0.00 -2.00 0.00 0.00 55.36 53.33 3hf9 s GLN 137 Cb 0.07 0.31 0.05 0.00 0.80 0.00 0.00 33.01 34.23 3hf9 s GLN 137 CO 0.13 -0.28 0.50 0.00 -0.50 0.00 0.00 175.29 175.13 3hf9 s ALA 138 N -2.75 -1.27 0.09 1.58 0.00 -1.26 -1.24 121.76 116.92 3hf9 s ALA 138 Ca 0.05 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.05 3hf9 s ALA 138 Cb -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3hf9 s ALA 138 CO -0.07 -0.29 -0.07 0.14 0.00 0.00 0.00 175.76 175.47 3hf9 s VAL 139 N -0.78 0.68 0.00 0.00 -7.23 -0.68 -4.89 120.40 107.51 3hf9 s VAL 139 Ca -0.08 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3hf9 s VAL 139 Cb -0.03 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.39 3hf9 s VAL 139 CO 0.05 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 3hf9 n GLY 140 N 0.19 0.56 0.30 2.32 0.00 -1.26 -1.29 105.19 106.02 3hf9 n GLY 140 Ca -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 46.02 43.66 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 0.83 -0.18 1.61 4.64 -1.97 -0.89 113.55 117.60 3hf9 h SER 141 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3hf9 h SER 141 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3hf9 h SER 141 CO 0.00 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 3hf9 n GLY 142 N -0.76 0.26 0.28 -0.77 0.00 -1.26 -4.42 105.19 98.52 3hf9 n GLY 142 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.90 3hf9 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 143 N 1.05 0.33 -0.24 1.61 4.64 -1.39 -1.85 113.55 117.70 3hf9 h SER 143 Ca 0.00 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3hf9 h SER 143 Cb 0.37 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3hf9 h SER 143 CO 0.02 0.29 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.95 3hf9 h LEU 144 N 0.37 0.65 -0.41 5.97 3.38 -1.81 -1.39 115.31 122.07 3hf9 h LEU 144 Ca 0.10 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 3hf9 h LEU 144 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hf9 h LEU 144 CO -0.01 1.00 -0.26 -0.26 0.09 0.00 0.00 178.44 179.00 3hf9 h PHE 145 N 0.31 1.06 -0.46 1.13 0.04 -1.77 -2.23 116.94 115.02 3hf9 h PHE 145 Ca 0.04 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 3hf9 h PHE 145 Cb 0.82 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3hf9 h PHE 145 CO 0.08 1.08 0.21 0.00 -0.60 0.00 0.00 178.31 179.07 3hf9 h ALA 146 N 0.81 0.60 -0.76 2.45 0.00 -1.26 -0.79 119.26 120.30 3hf9 h ALA 146 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hf9 h ALA 146 Cb 0.83 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hf9 h ALA 146 CO 0.07 0.18 0.31 0.87 0.00 0.00 0.00 179.25 180.68 3hf9 h LYS 147 N 0.60 1.12 0.00 0.00 1.57 -1.19 -1.21 116.57 117.47 3hf9 h LYS 147 Ca 0.16 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3hf9 h LYS 147 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hf9 h LYS 147 CO -0.02 0.90 -0.43 0.77 -0.57 0.00 0.00 179.45 180.11 3hf9 h SER 148 N 1.10 0.00 -0.09 0.86 0.02 -1.12 -1.04 113.55 113.29 3hf9 h SER 148 Ca 0.26 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.06 3hf9 h SER 148 Cb 0.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.74 3hf9 h SER 148 CO -0.02 0.43 -0.51 -1.28 -1.14 0.00 0.00 176.83 174.31 3hf9 h SER 149 N 0.00 0.60 -0.73 3.07 0.87 -0.85 -3.23 113.55 113.28 3hf9 h SER 149 Ca -0.00 -0.66 0.01 0.00 -1.23 0.00 0.00 61.79 59.91 3hf9 h SER 149 Cb 1.12 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 3hf9 h SER 149 CO 0.06 1.16 0.48 0.24 -0.53 0.00 0.00 176.83 178.24 3hf9 h MET 150 N 0.08 0.95 -1.00 2.24 2.07 -0.95 -1.88 114.93 116.43 3hf9 h MET 150 Ca -0.04 -0.06 0.18 0.00 -2.07 0.00 0.00 59.70 57.71 3hf9 h MET 150 Cb 1.16 -0.21 -0.10 0.00 -1.87 0.00 0.00 31.60 30.57 3hf9 h MET 150 CO 0.10 0.63 0.62 -0.22 1.07 0.00 0.00 176.91 179.11 3hf9 h LYS 151 N 0.98 0.77 0.05 1.72 3.64 -1.21 0.41 116.57 122.92 3hf9 h LYS 151 Ca 0.27 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.35 3hf9 h LYS 151 Cb -0.11 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3hf9 h LYS 151 CO -0.06 0.51 -1.24 0.87 -2.27 0.00 0.00 179.45 177.26 3hf9 h LYS 152 N 0.80 0.10 0.00 1.90 1.79 -1.43 -3.37 116.57 116.36 3hf9 h LYS 152 Ca 0.56 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3hf9 h LYS 152 Cb 0.84 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 3hf9 h LYS 152 CO -0.36 0.99 -1.17 1.28 -1.08 0.00 0.00 179.45 179.11 3hf9 n LEU 153 N -3.36 0.63 -0.07 2.94 4.77 -0.52 -4.46 117.00 116.94 3hf9 n LEU 153 Ca -0.07 -0.19 0.01 0.00 -0.03 0.00 0.00 56.01 55.73 3hf9 n LEU 153 Cb 0.99 -0.05 0.31 0.00 -2.33 0.00 0.00 43.42 42.34 3hf9 n LEU 153 CO 0.49 0.11 1.07 0.22 -1.33 0.00 0.00 177.39 177.95 3hf9 h TYR 154 N 0.00 0.67 -1.22 -1.77 3.20 -0.41 -1.45 116.97 115.99 3hf9 h TYR 154 Ca 0.00 -0.02 0.35 0.00 3.14 0.00 0.00 58.73 62.20 3hf9 h TYR 154 Cb 0.69 -0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.66 3hf9 h TYR 154 CO 0.00 0.52 0.82 0.66 -1.64 0.00 0.00 178.16 178.52 3hf9 h SER 155 N 0.67 0.23 0.00 -2.11 4.64 -1.83 -0.63 113.55 114.52 3hf9 h SER 155 Ca 0.17 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hf9 h SER 155 Cb 0.12 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3hf9 h SER 155 CO -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3hf9 n GLN 156 N -4.45 0.98 -3.05 4.77 6.02 -0.55 -4.82 117.38 116.28 3hf9 n GLN 156 Ca 0.29 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.87 3hf9 n GLN 156 Cb 1.20 -1.43 -0.06 0.00 1.02 0.00 0.00 30.24 30.98 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 -2.00 4.92 0.00 5.09 1.01 -0.24 -4.84 120.40 124.34 3hf9 s VAL 157 Ca 0.40 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3hf9 s VAL 157 Cb 0.18 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3hf9 s VAL 157 CO 0.31 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.69 3hf9 n THR 158 N 5.30 0.00 -4.11 3.92 -2.24 -1.26 -4.87 114.28 111.02 3hf9 n THR 158 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3hf9 n THR 158 Cb 0.49 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.00 -0.40 0.23 3.42 5.75 -1.26 -4.50 116.55 118.79 3hf9 n ASP 159 Ca 0.00 -2.12 0.09 0.00 -0.01 0.00 0.00 54.79 52.76 3hf9 n ASP 159 Cb 0.13 0.91 0.56 0.00 -1.03 0.00 0.00 41.12 41.70 3hf9 n ASP 159 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 160 N 1.05 0.00 0.86 6.12 0.00 -1.96 -1.86 103.07 107.29 3hf9 h GLY 160 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 3hf9 h GLY 160 CO 0.18 0.00 -0.74 -1.80 0.00 0.00 0.00 176.54 174.18 3hf9 h ASP 161 N 0.00 0.60 -0.07 0.19 -0.00 -1.99 -1.92 116.42 113.23 3hf9 h ASP 161 Ca -0.00 -0.79 -0.16 0.00 -0.00 0.00 0.00 57.03 56.07 3hf9 h ASP 161 Cb 0.52 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 39.66 3hf9 h ASP 161 CO 0.03 1.32 -0.53 0.77 -0.00 0.00 0.00 179.24 180.83 3hf9 h SER 162 N -0.05 0.72 -0.59 2.28 4.64 -1.90 -2.00 113.55 116.66 3hf9 h SER 162 Ca -0.10 -0.38 0.11 0.00 -0.47 0.00 0.00 61.79 60.95 3hf9 h SER 162 Cb 1.46 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 3hf9 h SER 162 CO 0.14 1.11 0.14 1.23 -0.87 0.00 0.00 176.83 178.58 3hf9 h GLY 163 N 0.96 0.76 1.01 -0.77 0.00 -1.37 0.42 103.07 104.09 3hf9 h GLY 163 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3hf9 h GLY 163 CO 0.11 -0.10 0.48 -2.00 0.00 0.00 0.00 176.54 175.03 3hf9 h LEU 164 N 0.27 0.98 -0.11 3.11 6.46 -0.93 -1.22 115.31 123.87 3hf9 h LEU 164 Ca 0.31 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 3hf9 h LEU 164 Cb 0.44 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3hf9 h LEU 164 CO -0.38 0.76 -0.00 -0.09 -0.62 0.00 0.00 178.44 178.11 3hf9 h ARG 165 N 1.11 0.20 -0.45 1.25 2.43 -0.47 -1.57 114.38 116.88 3hf9 h ARG 165 Ca 0.29 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 3hf9 h ARG 165 Cb -0.03 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 3hf9 h ARG 165 CO -0.05 0.45 0.01 0.28 -1.51 0.00 0.00 179.97 179.15 3hf9 h VAL 166 N -0.08 0.67 -0.66 0.20 2.07 -0.91 0.17 116.25 117.72 3hf9 h VAL 166 Ca 0.03 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3hf9 h VAL 166 Cb 0.36 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3hf9 h VAL 166 CO 0.01 0.02 0.33 0.00 0.02 0.00 0.00 177.57 177.95 3hf9 h ALA 167 N 1.39 0.88 -0.14 1.67 0.00 -1.04 0.12 119.26 122.15 3hf9 h ALA 167 Ca 0.22 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 167 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hf9 h ALA 167 CO -0.36 -0.04 -0.49 0.28 0.00 0.00 0.00 179.25 178.64 3hf9 h VAL 168 N 0.59 1.33 -0.35 0.00 2.07 -0.64 -1.99 116.25 117.27 3hf9 h VAL 168 Ca 0.31 -1.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 3hf9 h VAL 168 Cb 0.28 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3hf9 h VAL 168 CO -0.23 0.52 -0.22 -0.08 0.02 0.00 0.00 177.57 177.58 3hf9 h GLU 169 N 0.29 0.76 -0.81 1.57 4.81 0.12 -1.00 114.58 120.33 3hf9 h GLU 169 Ca 0.01 -0.36 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3hf9 h GLU 169 Cb 0.97 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 3hf9 h GLU 169 CO 0.08 0.98 0.49 0.00 -0.73 0.00 0.00 179.01 179.83 3hf9 h ALA 170 N 0.77 1.12 0.00 2.92 0.00 -0.66 0.30 119.26 123.70 3hf9 h ALA 170 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hf9 h ALA 170 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hf9 h ALA 170 CO 0.06 0.19 -0.32 -0.07 0.00 0.00 0.00 179.25 179.11 3hf9 h LEU 171 N 0.87 0.00 -0.15 0.00 3.38 -1.16 -1.10 115.31 117.15 3hf9 h LEU 171 Ca 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3hf9 h LEU 171 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hf9 h LEU 171 CO -0.19 0.32 -0.23 0.22 0.09 0.00 0.00 178.44 178.65 3hf9 h TYR 172 N 0.00 0.53 -0.22 1.13 3.20 0.35 -1.95 116.97 120.01 3hf9 h TYR 172 Ca -0.00 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 3hf9 h TYR 172 Cb 0.69 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3hf9 h TYR 172 CO 0.00 0.86 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.91 3hf9 h ASP 173 N 0.04 0.30 -0.33 -2.11 3.32 -0.26 -1.62 116.42 115.76 3hf9 h ASP 173 Ca 0.01 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 3hf9 h ASP 173 Cb 0.80 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3hf9 h ASP 173 CO 0.05 0.37 -0.38 0.00 -1.72 0.00 0.00 179.24 177.57 3hf9 h ALA 174 N 1.67 0.49 0.00 3.45 0.00 -1.08 -2.54 119.26 121.24 3hf9 h ALA 174 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hf9 h ALA 174 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hf9 h ALA 174 CO 0.01 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3hf9 h ALA 175 N 0.72 1.00 0.04 0.00 0.00 -0.87 -1.82 119.26 118.34 3hf9 h ALA 175 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3hf9 h ALA 175 Cb 0.97 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hf9 h ALA 175 CO 0.09 0.00 -1.00 0.22 0.00 0.00 0.00 179.25 178.56 3hf9 h ASP 176 N 0.00 0.35 0.00 0.00 3.58 -0.88 -3.33 116.42 116.14 3hf9 h ASP 176 Ca 0.00 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3hf9 h ASP 176 Cb 0.54 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3hf9 h ASP 176 CO 0.00 1.15 -0.57 0.47 -2.88 0.00 0.00 179.24 177.42 3hf9 n ASP 177 N -3.62 0.62 -4.04 2.28 8.00 -1.14 -4.96 116.55 113.70 3hf9 n ASP 177 Ca -0.05 -0.72 -0.26 0.00 0.71 0.00 0.00 54.79 54.47 3hf9 n ASP 177 Cb 0.88 1.03 -0.17 0.00 -0.02 0.00 0.00 41.12 42.84 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 -2.10 1.96 0.01 -2.24 2.15 -0.69 -5.02 116.67 110.74 3hf9 s ASP 178 Ca 0.04 -0.33 0.27 0.00 0.43 0.00 0.00 52.55 52.95 3hf9 s ASP 178 Cb 0.08 -0.90 0.82 0.00 -0.30 0.00 0.00 42.92 42.62 3hf9 s ASP 178 CO 0.45 0.03 1.64 -1.54 -0.17 0.00 0.00 175.17 175.58 3hf9 n SER 179 N 3.89 0.30 0.05 -0.34 3.41 -1.26 -3.31 113.62 116.36 3hf9 n SER 179 Ca -0.22 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3hf9 n SER 179 Cb 0.52 -0.09 0.22 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.52 2.97 -2.75 7.33 0.00 -1.26 -4.77 120.51 120.50 3hf9 n ALA 180 Ca 0.06 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 3hf9 n ALA 180 Cb 0.34 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.12 5.13 0.08 0.00 2.01 -1.21 -4.65 115.64 113.87 3hf9 s THR 181 Ca 0.08 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 3hf9 s THR 181 Cb 0.14 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.23 3hf9 s THR 181 CO 0.70 0.40 0.64 -0.83 -0.69 0.00 0.00 174.62 174.84 3hf9 s GLY 182 N 0.72 2.74 0.40 4.40 0.00 -1.26 -4.44 107.32 109.88 3hf9 s GLY 182 Ca 0.06 0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.89 3hf9 s GLY 182 CO 0.02 0.65 0.55 0.61 0.00 0.00 0.00 173.10 174.93 3hf9 n GLY 183 N 1.84 0.09 3.66 0.20 0.00 -1.26 -4.54 105.19 105.18 3hf9 n GLY 183 Ca -0.08 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.96 4.22 -0.59 1.61 0.02 -1.26 -4.91 135.00 130.13 3hf9 s PRO 184 Ca 0.34 1.85 -0.23 0.00 0.02 0.00 0.00 61.00 62.99 3hf9 s PRO 184 Cb -0.02 -3.81 0.06 0.00 0.02 0.00 0.00 34.50 30.75 3hf9 s PRO 184 CO 0.23 -0.73 0.92 0.34 -0.33 0.00 0.00 177.00 177.43 3hf9 s ASP 185 N 2.38 6.26 0.18 2.53 3.68 -0.66 -4.89 116.67 126.14 3hf9 s ASP 185 Ca 0.61 -0.68 0.07 0.00 2.13 0.00 0.00 52.55 54.68 3hf9 s ASP 185 Cb -0.26 -2.41 0.02 0.00 -1.45 0.00 0.00 42.92 38.82 3hf9 s ASP 185 CO 0.21 -1.28 1.41 -0.07 0.13 0.00 0.00 175.17 175.57 3hf9 h LEU 186 N 10.99 0.06 -0.34 -1.34 3.38 -1.93 0.10 115.31 126.24 3hf9 h LEU 186 Ca -0.27 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3hf9 h LEU 186 Cb 1.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3hf9 h LEU 186 CO 1.11 0.88 0.20 0.58 0.09 0.00 0.00 178.44 181.30 3hf9 h VAL 187 N 0.02 1.04 -0.01 1.22 2.07 -1.97 -3.05 116.25 115.57 3hf9 h VAL 187 Ca -0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3hf9 h VAL 187 Cb 1.49 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3hf9 h VAL 187 CO 0.12 0.07 -0.58 0.54 0.02 0.00 0.00 177.57 177.73 3hf9 n ARG 188 N -4.90 0.57 -3.30 1.57 1.74 -1.21 -4.98 116.66 106.15 3hf9 n ARG 188 Ca -0.00 -0.43 -0.17 0.00 -0.77 0.00 0.00 57.85 56.48 3hf9 n ARG 188 Cb 0.05 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.07 3hf9 n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hf9 n GLY 189 N 1.44 -0.26 3.32 -0.13 0.00 0.27 -5.02 105.19 104.80 3hf9 n GLY 189 Ca 0.08 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.29 2.82 0.23 -0.61 1.01 -0.65 -5.02 121.20 115.70 3hf9 s ILE 190 Ca 0.21 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.16 3hf9 s ILE 190 Cb -0.09 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3hf9 s ILE 190 CO 0.61 0.52 -0.02 -0.36 0.00 0.00 0.00 174.94 175.70 3hf9 s PHE 191 N 0.51 1.55 0.68 3.97 0.40 -1.26 -1.66 117.98 122.17 3hf9 s PHE 191 Ca -0.10 -0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 55.17 3hf9 s PHE 191 Cb -0.16 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.47 3hf9 s PHE 191 CO 0.04 -0.01 1.06 -2.30 0.70 0.00 0.00 175.22 174.71 3hf9 n PRO 192 N -0.41 0.74 -3.38 0.24 -0.02 -1.26 -4.82 135.00 126.09 3hf9 n PRO 192 Ca -0.06 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 3hf9 n PRO 192 Cb 0.64 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 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 4.89 0.11 3.45 -4.23 -0.86 -4.92 115.64 112.44 3hf9 s THR 193 Ca 0.77 0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 61.97 3hf9 s THR 193 Cb -0.37 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.74 3hf9 s THR 193 CO 0.47 0.13 0.03 0.00 -0.54 0.00 0.00 174.62 174.71 3hf9 s ALA 194 N -1.59 0.81 -0.02 3.99 0.00 -1.26 -1.68 121.76 122.01 3hf9 s ALA 194 Ca 0.41 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3hf9 s ALA 194 Cb -0.14 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3hf9 s ALA 194 CO 0.20 -0.44 0.07 0.08 0.00 0.00 0.00 175.76 175.67 3hf9 s VAL 195 N -3.98 0.03 -0.05 0.00 1.01 0.48 -1.44 120.40 116.44 3hf9 s VAL 195 Ca 0.20 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3hf9 s VAL 195 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.26 3hf9 s VAL 195 CO -0.01 -0.14 -0.16 -0.63 0.00 0.00 0.00 175.10 174.16 3hf9 s ILE 196 N -0.43 1.37 -0.13 2.22 1.01 -0.11 -1.36 121.20 123.77 3hf9 s ILE 196 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3hf9 s ILE 196 Cb -0.03 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 3hf9 s ILE 196 CO 0.00 0.40 -0.17 -0.63 0.00 0.00 0.00 174.94 174.54 3hf9 s ILE 197 N 0.27 2.59 0.37 2.92 1.01 -0.48 -0.83 121.20 127.06 3hf9 s ILE 197 Ca -0.09 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3hf9 s ILE 197 Cb -0.13 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 3hf9 s ILE 197 CO 0.03 0.53 0.23 -0.90 0.00 0.00 0.00 174.94 174.83 3hf9 n ASP 198 N 3.78 0.07 -0.19 3.58 5.75 -0.76 -1.91 116.55 126.86 3hf9 n ASP 198 Ca -0.19 -3.23 0.04 0.00 -0.01 0.00 0.00 54.79 51.40 3hf9 n ASP 198 Cb 0.52 1.44 0.31 0.00 -1.03 0.00 0.00 41.12 42.37 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hf9 h ALA 199 N 1.93 1.61 -0.88 2.12 0.00 -1.94 -0.81 119.26 121.28 3hf9 h ALA 199 Ca -0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3hf9 h ALA 199 Cb 1.23 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3hf9 h ALA 199 CO 0.42 0.31 0.47 -0.44 0.00 0.00 0.00 179.25 180.01 3hf9 h ASP 200 N 0.85 1.11 -1.93 0.00 3.32 -1.95 -3.49 116.42 114.33 3hf9 h ASP 200 Ca 0.30 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3hf9 h ASP 200 Cb 0.11 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3hf9 h ASP 200 CO -0.09 0.90 0.00 0.61 -1.72 0.00 0.00 179.24 178.94 3hf9 n GLY 201 N -1.10 -0.71 3.70 2.75 0.00 -0.31 -5.07 105.19 104.43 3hf9 n GLY 201 Ca 0.09 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.31 3.56 0.06 4.61 0.00 0.38 -1.82 121.76 127.24 3hf9 s ALA 202 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3hf9 s ALA 202 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3hf9 s ALA 202 CO 0.00 -0.10 -0.11 0.08 0.00 0.00 0.00 175.76 175.63 3hf9 s VAL 203 N 0.87 0.84 0.03 0.00 1.01 -0.01 -4.96 120.40 118.19 3hf9 s VAL 203 Ca 0.18 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 3hf9 s VAL 203 Cb -0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3hf9 s VAL 203 CO 0.06 -0.28 0.92 -1.81 0.00 0.00 0.00 175.10 173.99 3hf9 s ASP 204 N -1.61 7.34 0.05 3.32 1.01 -1.26 -0.93 116.67 124.59 3hf9 s ASP 204 Ca -0.05 1.61 -0.30 0.00 0.71 0.00 0.00 52.55 54.52 3hf9 s ASP 204 Cb -0.10 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3hf9 s ASP 204 CO 0.01 -0.16 1.01 -0.69 0.21 0.00 0.00 175.17 175.55 3hf9 s VAL 205 N 0.60 4.58 0.47 -1.27 1.01 -0.52 -4.93 120.40 120.35 3hf9 s VAL 205 Ca 0.47 1.96 -0.24 0.00 0.00 0.00 0.00 61.98 64.17 3hf9 s VAL 205 Cb -0.21 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 3hf9 s VAL 205 CO 0.27 0.21 1.37 -2.84 0.00 0.00 0.00 175.10 174.11 3hf9 s PRO 206 N 0.62 3.59 0.34 2.72 0.02 -1.26 -4.52 135.00 136.51 3hf9 s PRO 206 Ca 0.51 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.84 3hf9 s PRO 206 Cb -0.23 -2.55 0.62 0.00 0.02 0.00 0.00 34.50 32.36 3hf9 s PRO 206 CO 0.29 -0.84 1.96 1.49 -0.33 0.00 0.00 177.00 179.57 3hf9 h GLU 207 N 2.13 0.73 -0.73 5.54 4.81 -1.94 -2.71 114.58 122.42 3hf9 h GLU 207 Ca -0.51 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 3hf9 h GLU 207 Cb 1.27 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3hf9 h GLU 207 CO 0.60 0.56 0.48 0.77 -0.73 0.00 0.00 179.01 180.69 3hf9 h SER 208 N 0.74 0.83 -0.72 1.04 0.02 -1.99 -0.22 113.55 113.24 3hf9 h SER 208 Ca 0.19 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 3hf9 h SER 208 Cb 0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3hf9 h SER 208 CO -0.03 0.59 0.26 -0.09 -1.14 0.00 0.00 176.83 176.42 3hf9 h ARG 209 N 0.98 1.10 -0.70 3.45 2.43 -1.87 -0.74 114.38 119.03 3hf9 h ARG 209 Ca 0.28 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3hf9 h ARG 209 Cb -0.09 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 3hf9 h ARG 209 CO -0.07 0.93 0.31 0.82 -1.51 0.00 0.00 179.97 180.45 3hf9 h ILE 210 N 1.05 1.24 -0.73 1.20 2.04 -1.28 -1.31 117.51 119.71 3hf9 h ILE 210 Ca 0.24 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3hf9 h ILE 210 Cb 0.26 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3hf9 h ILE 210 CO -0.01 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.70 3hf9 h ALA 211 N 1.15 1.10 -0.37 1.87 0.00 -0.63 0.79 119.26 123.16 3hf9 h ALA 211 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 211 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hf9 h ALA 211 CO -0.02 0.63 0.20 1.49 0.00 0.00 0.00 179.25 181.55 3hf9 h GLU 212 N 1.07 0.52 -0.44 0.00 4.81 -0.57 0.28 114.58 120.26 3hf9 h GLU 212 Ca 0.24 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3hf9 h GLU 212 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3hf9 h GLU 212 CO -0.02 0.43 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.56 3hf9 h LEU 213 N 0.47 0.81 -0.43 1.64 3.38 -0.67 -2.26 115.31 118.25 3hf9 h LEU 213 Ca 0.13 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3hf9 h LEU 213 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hf9 h LEU 213 CO -0.02 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.66 3hf9 h ALA 214 N 0.88 0.55 -0.68 1.53 0.00 0.10 -0.72 119.26 120.93 3hf9 h ALA 214 Ca 0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3hf9 h ALA 214 Cb 0.58 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hf9 h ALA 214 CO 0.03 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.53 3hf9 h ARG 215 N 0.55 1.12 -0.76 0.00 3.08 -0.45 -2.72 114.38 115.19 3hf9 h ARG 215 Ca 0.15 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 3hf9 h ARG 215 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hf9 h ARG 215 CO -0.02 1.02 0.26 0.00 -1.07 0.00 0.00 179.97 180.16 3hf9 h ALA 216 N 1.05 1.00 -0.57 0.04 0.00 -1.12 -2.51 119.26 117.15 3hf9 h ALA 216 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 216 Cb 0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hf9 h ALA 216 CO 0.01 0.67 0.25 0.82 0.00 0.00 0.00 179.25 181.00 3hf9 h ILE 217 N 1.13 1.22 -0.14 0.00 2.04 -0.96 -2.79 117.51 118.00 3hf9 h ILE 217 Ca 0.25 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3hf9 h ILE 217 Cb 0.28 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3hf9 h ILE 217 CO -0.01 0.25 0.04 0.40 0.00 0.00 0.00 178.15 178.83 3hf9 h ILE 218 N 0.78 1.20 0.00 -0.67 2.04 -1.23 -2.86 117.51 116.76 3hf9 h ILE 218 Ca 0.19 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3hf9 h ILE 218 Cb 0.16 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3hf9 h ILE 218 CO -0.02 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.70 3hf9 n GLU 219 N -4.83 0.14 0.02 2.37 1.02 -0.97 -1.82 120.64 116.57 3hf9 n GLU 219 Ca -0.05 0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 3hf9 n GLU 219 Cb 0.16 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 30.53 3hf9 n GLU 219 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hf9 n SER 220 N -1.40 0.30 0.00 1.62 2.88 -1.05 -3.49 113.62 112.47 3hf9 n SER 220 Ca 0.08 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 3hf9 n SER 220 Cb 0.22 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.65 -0.23 0.00 -1.46 1.74 -0.96 -5.08 116.66 109.02 3hf9 n ARG 221 Ca 0.06 -0.48 0.15 0.00 -0.77 0.00 0.00 57.85 56.82 3hf9 n ARG 221 Cb 0.36 -0.84 0.76 0.00 -1.02 0.00 0.00 32.46 31.72 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54