#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf6 h VAL 5 N 0.00 0.48 -0.06 -3.33 2.07 -1.89 -0.98 116.25 112.54 1hf6 h VAL 5 Ca 0.00 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1hf6 h VAL 5 Cb 0.00 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1hf6 h VAL 5 CO 0.00 0.04 -0.62 0.58 0.02 0.00 0.00 177.57 177.59 1hf6 h VAL 6 N -0.82 1.39 -0.52 2.57 2.07 -1.76 -0.64 116.25 118.54 1hf6 h VAL 6 Ca -0.07 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 1hf6 h VAL 6 Cb 0.58 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1hf6 h VAL 6 CO 0.11 0.60 0.32 -0.08 0.02 0.00 0.00 177.57 178.54 1hf6 h GLU 7 N 0.17 0.71 0.03 1.57 4.81 -1.81 0.23 114.58 120.29 1hf6 h GLU 7 Ca -0.01 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1hf6 h GLU 7 Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1hf6 h GLU 7 CO 0.10 0.51 -0.02 1.49 -0.73 0.00 0.00 179.01 180.36 1hf6 h GLU 8 N 0.70 -0.04 0.01 1.92 4.81 -0.93 -3.37 114.58 117.69 1hf6 h GLU 8 Ca 0.19 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.15 1hf6 h GLU 8 Cb -0.02 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1hf6 h GLU 8 CO -0.04 0.52 -1.55 0.45 -0.73 0.00 0.00 179.01 177.67 1hf6 h HIS 9 N -0.64 0.03 0.00 0.92 3.86 -1.15 -3.46 115.15 114.71 1hf6 h HIS 9 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1hf6 h HIS 9 Cb 0.58 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1hf6 h HIS 9 CO 0.12 1.03 0.00 0.41 0.86 0.00 0.00 177.93 180.36 1hf6 n GLY 10 N 1.52 3.38 3.64 2.45 0.00 0.82 -1.92 105.19 115.09 1hf6 n GLY 10 Ca -0.13 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1hf6 n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hf6 s GLN 11 N 0.00 3.92 0.32 1.61 2.00 -1.26 -4.81 119.66 121.44 1hf6 s GLN 11 Ca 0.00 1.96 -0.13 0.00 -2.00 0.00 0.00 55.36 55.19 1hf6 s GLN 11 Cb 0.00 -4.05 -0.08 0.00 0.80 0.00 0.00 33.01 29.68 1hf6 s GLN 11 CO 0.00 -1.16 0.72 -0.51 -0.50 0.00 0.00 175.29 173.84 1hf6 s LEU 12 N 4.94 4.04 0.30 3.68 1.43 -1.26 -1.96 118.68 129.84 1hf6 s LEU 12 Ca 0.76 1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 1hf6 s LEU 12 Cb -0.30 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 41.92 1hf6 s LEU 12 CO 0.31 -0.22 0.59 -0.94 0.23 0.00 0.00 176.35 176.32 1hf6 s SER 13 N -2.43 0.07 -0.20 2.29 1.04 -0.52 -4.62 113.70 109.33 1hf6 s SER 13 Ca 0.53 -1.01 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 1hf6 s SER 13 Cb -0.10 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1hf6 s SER 13 CO 0.20 -1.32 0.05 -0.63 0.98 0.00 0.00 173.24 172.52 1hf6 s ILE 14 N -3.49 4.45 -0.09 -1.02 -1.09 -1.26 -1.07 121.20 117.64 1hf6 s ILE 14 Ca 0.20 -0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1hf6 s ILE 14 Cb -0.03 -3.03 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1hf6 s ILE 14 CO 0.11 0.42 -0.06 -0.55 -1.23 0.00 0.00 174.94 173.63 1hf6 s SER 15 N 0.84 1.88 -1.60 3.58 0.15 -0.28 -4.81 113.70 113.46 1hf6 s SER 15 Ca 0.03 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 1hf6 s SER 15 Cb -0.14 -0.72 0.11 0.00 -1.71 0.00 0.00 66.02 63.56 1hf6 s SER 15 CO 0.02 -0.11 0.76 -3.20 1.20 0.00 0.00 173.24 171.92 1hf6 n ASN 16 N 4.74 -3.04 0.00 5.45 5.15 -1.26 -1.40 115.26 124.89 1hf6 n ASN 16 Ca -0.14 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 1hf6 n ASN 16 Cb 0.50 -3.09 0.00 0.00 -0.53 0.00 0.00 39.78 36.66 1hf6 n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hf6 n GLY 17 N -1.58 0.52 3.22 8.20 0.00 -1.26 -4.99 105.19 109.30 1hf6 n GLY 17 Ca -0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1hf6 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hf6 s GLU 18 N -0.18 1.50 -0.01 1.61 0.41 -0.50 -3.96 118.70 117.57 1hf6 s GLU 18 Ca 0.00 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 1hf6 s GLU 18 Cb 0.00 -1.51 -0.05 0.00 -1.78 0.00 0.00 34.13 30.79 1hf6 s GLU 18 CO 0.00 0.40 1.41 -1.17 -0.49 0.00 0.00 175.26 175.41 1hf6 s LEU 19 N -0.76 4.31 0.17 1.80 2.96 -1.26 -1.12 118.68 124.78 1hf6 s LEU 19 Ca 0.07 2.10 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 1hf6 s LEU 19 Cb -0.08 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1hf6 s LEU 19 CO 0.00 -0.73 -0.09 0.68 -1.32 0.00 0.00 176.35 174.89 1hf6 s VAL 20 N 2.55 1.23 0.58 1.68 -7.23 -0.23 -2.19 120.40 116.79 1hf6 s VAL 20 Ca 0.64 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1hf6 s VAL 20 Cb -0.31 -1.99 0.12 0.00 0.56 0.00 0.00 36.38 34.76 1hf6 s VAL 20 CO 0.26 -0.63 0.79 -0.46 -0.31 0.00 0.00 175.10 174.75 1hf6 n ASN 21 N -0.28 0.71 0.00 4.85 0.23 -0.02 -1.44 115.26 119.31 1hf6 n ASN 21 Ca -0.09 -1.68 0.08 0.00 -0.53 0.00 0.00 54.58 52.36 1hf6 n ASN 21 Cb 0.61 -0.55 0.36 0.00 -2.08 0.00 0.00 39.78 38.13 1hf6 n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1hf6 n GLU 22 N -2.54 0.04 -0.34 -3.83 0.28 -0.81 -1.09 120.64 112.36 1hf6 n GLU 22 Ca 0.12 0.20 0.09 0.00 -0.16 0.00 0.00 57.16 57.41 1hf6 n GLU 22 Cb 0.42 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 32.05 1hf6 n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1hf6 n ARG 23 N -1.46 2.98 -0.82 3.44 1.74 -1.26 -4.97 116.66 116.31 1hf6 n ARG 23 Ca 0.05 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 1hf6 n ARG 23 Cb 0.18 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1hf6 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hf6 n GLY 24 N 0.91 0.66 3.83 -0.13 0.00 -0.25 -5.04 105.19 105.17 1hf6 n GLY 24 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1hf6 n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hf6 s GLU 25 N -0.18 4.12 0.44 1.61 2.02 -1.26 -4.75 118.70 120.70 1hf6 s GLU 25 Ca 0.00 0.68 -0.26 0.00 0.02 0.00 0.00 54.97 55.41 1hf6 s GLU 25 Cb 0.00 -2.94 -0.09 0.00 0.10 0.00 0.00 34.13 31.20 1hf6 s GLU 25 CO 0.00 0.46 1.45 -0.65 0.02 0.00 0.00 175.26 176.54 1hf6 s GLN 26 N -1.88 3.73 0.02 1.61 -0.21 -1.26 -0.84 119.66 120.82 1hf6 s GLN 26 Ca 0.39 2.47 0.02 0.00 0.02 0.00 0.00 55.36 58.26 1hf6 s GLN 26 Cb -0.16 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.14 1hf6 s GLN 26 CO 0.20 -0.80 -0.07 0.14 -2.12 0.00 0.00 175.29 172.64 1hf6 s VAL 27 N -1.18 0.52 -0.15 1.09 -7.23 -0.93 -4.81 120.40 107.71 1hf6 s VAL 27 Ca 0.60 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1hf6 s VAL 27 Cb -0.45 -0.50 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1hf6 s VAL 27 CO 0.58 -0.07 -0.16 -1.58 -0.31 0.00 0.00 175.10 173.57 1hf6 s GLN 28 N -0.73 2.43 0.00 4.82 0.74 -1.26 -4.71 119.66 120.95 1hf6 s GLN 28 Ca -0.02 -0.61 -0.16 0.00 0.05 0.00 0.00 55.36 54.61 1hf6 s GLN 28 Cb -0.05 -2.16 -0.06 0.00 1.10 0.00 0.00 33.01 31.84 1hf6 s GLN 28 CO 0.00 -0.20 0.45 -0.51 -0.55 0.00 0.00 175.29 174.49 1hf6 s LEU 29 N 1.35 4.47 -0.03 3.68 1.43 -1.26 -4.98 118.68 123.33 1hf6 s LEU 29 Ca 0.03 1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1hf6 s LEU 29 Cb -0.13 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1hf6 s LEU 29 CO -0.09 0.28 0.02 -0.54 0.23 0.00 0.00 176.35 176.25 1hf6 s LYS 30 N -0.90 0.11 0.00 1.70 1.02 -1.25 -0.89 119.74 119.51 1hf6 s LYS 30 Ca 0.25 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1hf6 s LYS 30 Cb -0.17 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1hf6 s LYS 30 CO 0.14 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1hf6 n GLY 31 N 4.43 2.12 3.58 -3.33 0.00 -0.67 -2.05 105.19 109.27 1hf6 n GLY 31 Ca -0.22 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1hf6 n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hf6 s MET 32 N 0.03 2.44 -0.02 1.61 -1.94 -1.21 -1.39 119.30 118.82 1hf6 s MET 32 Ca 0.00 -0.80 -0.11 0.00 -1.71 0.00 0.00 55.69 53.07 1hf6 s MET 32 Cb 0.00 -2.44 -0.05 0.00 2.01 0.00 0.00 34.83 34.35 1hf6 s MET 32 CO 0.00 0.58 0.32 0.45 -0.01 0.00 0.00 175.02 176.36 1hf6 s SER 33 N -1.58 6.65 0.97 3.03 0.15 0.09 -1.05 113.70 121.96 1hf6 s SER 33 Ca 0.18 0.77 -0.11 0.00 0.70 0.00 0.00 55.95 57.49 1hf6 s SER 33 Cb -0.11 -2.18 0.18 0.00 -1.71 0.00 0.00 66.02 62.20 1hf6 s SER 33 CO 0.09 0.32 1.09 -0.94 1.20 0.00 0.00 173.24 175.00 1hf6 s SER 34 N -1.22 2.59 0.56 5.45 1.04 0.15 -0.75 113.70 121.52 1hf6 s SER 34 Ca 0.23 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1hf6 s SER 34 Cb -0.15 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1hf6 s SER 34 CO 0.12 -3.24 0.00 1.57 0.98 0.00 0.00 173.24 172.66 1hf6 n HIS 35 N -4.30 -2.30 -1.78 5.02 -0.00 -1.26 -4.54 115.22 106.05 1hf6 n HIS 35 Ca 0.08 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.84 1hf6 n HIS 35 Cb 0.53 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.37 1hf6 n HIS 35 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1hf6 s GLY 36 N -2.14 1.31 0.42 1.57 0.00 -1.26 -4.40 107.32 102.81 1hf6 s GLY 36 Ca 0.00 1.53 0.29 0.00 0.00 0.00 0.00 44.72 46.54 1hf6 s GLY 36 CO 0.00 2.82 1.88 1.41 0.00 0.00 0.00 173.10 179.21 1hf6 h LEU 37 N 6.87 0.00 0.00 0.66 3.38 -1.81 -0.45 115.31 123.96 1hf6 h LEU 37 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1hf6 h LEU 37 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1hf6 h LEU 37 CO 0.95 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 179.42 1hf6 n GLN 38 N -2.64 0.07 -0.02 1.13 0.00 -1.26 -3.22 117.38 111.43 1hf6 n GLN 38 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 57.00 57.03 1hf6 n GLN 38 Cb 0.22 -1.58 -0.02 0.00 0.00 0.00 0.00 30.24 28.86 1hf6 n GLN 38 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1hf6 n TRP 39 N -1.70 0.00 -2.41 2.61 8.01 -0.47 -4.86 117.44 118.61 1hf6 n TRP 39 Ca 0.06 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.23 1hf6 n TRP 39 Cb 0.36 -0.18 0.06 0.00 -2.01 0.00 0.00 31.31 29.55 1hf6 n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1hf6 n TYR 40 N -2.67 1.05 0.32 -5.99 4.01 -0.30 -4.86 117.16 108.71 1hf6 n TYR 40 Ca -0.08 -1.63 0.21 0.00 -0.16 0.00 0.00 57.90 56.24 1hf6 n TYR 40 Cb 0.58 -0.23 1.01 0.00 -0.31 0.00 0.00 39.34 40.40 1hf6 n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1hf6 h GLY 41 N 1.87 0.00 2.00 2.72 0.00 -1.69 -2.80 103.07 105.17 1hf6 h GLY 41 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1hf6 h GLY 41 CO 0.25 0.00 -0.00 0.06 0.00 0.00 0.00 176.54 176.85 1hf6 h GLN 42 N 0.00 0.00 -0.01 4.80 -0.00 -1.89 -1.48 115.11 116.54 1hf6 h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1hf6 h GLN 42 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1hf6 h GLN 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 180.02 1hf6 n PHE 43 N -3.10 0.01 -3.76 0.06 3.72 -1.06 -4.66 117.46 108.67 1hf6 n PHE 43 Ca -0.01 -0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 1hf6 n PHE 43 Cb 0.21 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.63 1hf6 n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1hf6 s VAL 44 N -1.99 3.53 0.10 -4.37 1.01 -0.56 -4.77 120.40 113.35 1hf6 s VAL 44 Ca 0.43 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 1hf6 s VAL 44 Cb 0.21 -3.22 0.08 0.00 0.00 0.00 0.00 36.38 33.45 1hf6 s VAL 44 CO 0.35 -0.46 0.87 0.54 0.00 0.00 0.00 175.10 176.40 1hf6 s ASN 45 N 1.74 -0.30 0.20 3.32 2.20 -1.26 -4.88 114.94 115.96 1hf6 s ASN 45 Ca 0.03 -0.22 -0.10 0.00 -0.94 0.00 0.00 52.86 51.63 1hf6 s ASN 45 Cb -0.22 0.48 0.23 0.00 -2.00 0.00 0.00 41.25 39.74 1hf6 s ASN 45 CO -0.01 -0.84 1.77 0.22 -2.94 0.00 0.00 177.10 175.30 1hf6 h TYR 46 N 2.00 0.49 -0.42 1.54 3.20 -1.95 -1.64 116.97 120.19 1hf6 h TYR 46 Ca -0.24 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.57 1hf6 h TYR 46 Cb 1.25 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1hf6 h TYR 46 CO 0.32 0.19 -0.08 0.93 -1.64 0.00 0.00 178.16 177.88 1hf6 h GLU 47 N 0.50 0.79 -0.49 1.82 4.39 -1.95 0.63 114.58 120.28 1hf6 h GLU 47 Ca 0.28 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1hf6 h GLU 47 Cb 0.27 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1hf6 h GLU 47 CO -0.23 0.91 -0.07 0.66 -1.16 0.00 0.00 179.01 179.11 1hf6 h SER 48 N 0.62 0.85 0.08 1.42 4.64 -1.50 -1.41 113.55 118.25 1hf6 h SER 48 Ca 0.11 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1hf6 h SER 48 Cb 0.60 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1hf6 h SER 48 CO 0.04 0.96 -0.40 -0.03 -0.87 0.00 0.00 176.83 176.53 1hf6 h MET 49 N 0.79 0.41 -0.36 4.77 1.85 -1.11 -0.94 114.93 120.35 1hf6 h MET 49 Ca 0.14 -0.20 -0.08 0.00 -0.61 0.00 0.00 59.70 58.94 1hf6 h MET 49 Cb 0.57 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 1hf6 h MET 49 CO 0.03 0.74 -0.10 -0.22 -0.40 0.00 0.00 176.91 176.97 1hf6 h LYS 50 N 0.34 0.70 -0.62 0.39 3.64 -0.67 -0.32 116.57 120.03 1hf6 h LYS 50 Ca 0.03 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1hf6 h LYS 50 Cb 0.85 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1hf6 h LYS 50 CO 0.07 0.87 0.28 2.35 -2.27 0.00 0.00 179.45 180.74 1hf6 h TRP 51 N 0.49 0.92 -0.56 1.91 2.91 -1.04 0.14 115.95 120.73 1hf6 h TRP 51 Ca 0.09 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1hf6 h TRP 51 Cb 0.62 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 1hf6 h TRP 51 CO 0.05 0.71 0.31 -0.07 -1.03 0.00 0.00 178.44 178.42 1hf6 h LEU 52 N 0.86 0.70 0.03 0.65 3.38 -0.96 0.15 115.31 120.13 1hf6 h LEU 52 Ca 0.21 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1hf6 h LEU 52 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1hf6 h LEU 52 CO -0.02 0.59 -0.01 -0.09 0.09 0.00 0.00 178.44 178.99 1hf6 h ARG 53 N 0.76 -0.04 0.18 1.13 2.43 -0.64 -1.38 114.38 116.83 1hf6 h ARG 53 Ca 0.20 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.04 1hf6 h ARG 53 Cb 0.04 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1hf6 h ARG 53 CO -0.03 0.05 -1.58 -0.44 -1.51 0.00 0.00 179.97 176.45 1hf6 h ASP 54 N -0.11 0.61 0.14 -3.80 3.32 -0.78 -2.24 116.42 113.56 1hf6 h ASP 54 Ca -0.00 -0.79 -0.36 0.00 0.02 0.00 0.00 57.03 55.90 1hf6 h ASP 54 Cb 0.10 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1hf6 h ASP 54 CO 0.01 1.64 -2.05 -0.67 -1.72 0.00 0.00 179.24 176.46 1hf6 n ASP 55 N -3.58 1.95 0.02 6.45 2.03 0.51 -4.40 116.55 119.52 1hf6 n ASP 55 Ca -0.19 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.28 1hf6 n ASP 55 Cb 1.07 -0.70 -0.10 0.00 -0.72 0.00 0.00 41.12 40.68 1hf6 n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1hf6 n TRP 56 N -3.40 0.94 -0.67 -0.67 7.02 -0.70 -4.92 117.44 115.04 1hf6 n TRP 56 Ca -0.32 0.32 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1hf6 n TRP 56 Cb 1.04 -1.10 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 1hf6 n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1hf6 n GLY 57 N 1.44 0.59 3.75 6.99 0.00 -0.60 -2.76 105.19 114.60 1hf6 n GLY 57 Ca -0.12 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1hf6 n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hf6 s ILE 58 N -2.00 2.36 0.00 -0.61 -4.36 -1.02 -4.92 121.20 110.65 1hf6 s ILE 58 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 1hf6 s ILE 58 Cb 0.00 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.60 1hf6 s ILE 58 CO 0.00 -0.03 0.76 -0.46 0.24 0.00 0.00 174.94 175.45 1hf6 n ASN 59 N -1.35 1.28 -3.69 4.36 0.23 -0.87 -4.53 115.26 110.69 1hf6 n ASN 59 Ca 0.12 -1.57 -0.15 0.00 -0.53 0.00 0.00 54.58 52.46 1hf6 n ASN 59 Cb 0.48 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.10 1hf6 n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1hf6 s VAL 60 N -0.57 0.04 -0.02 3.53 0.11 -1.25 -1.83 120.40 120.40 1hf6 s VAL 60 Ca 0.00 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1hf6 s VAL 60 Cb 0.00 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1hf6 s VAL 60 CO 0.00 -0.16 -0.05 0.12 -3.33 0.00 0.00 175.10 171.67 1hf6 s PHE 61 N -1.16 0.65 -0.21 1.54 5.36 -0.61 -3.32 117.98 120.23 1hf6 s PHE 61 Ca -0.12 -0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.65 1hf6 s PHE 61 Cb -0.04 -0.51 -0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1hf6 s PHE 61 CO 0.06 -0.10 0.01 0.50 -1.46 0.00 0.00 175.22 174.23 1hf6 s ARG 62 N 0.38 3.58 -0.49 10.12 3.52 -0.21 -0.92 118.95 134.93 1hf6 s ARG 62 Ca -0.05 -0.53 -0.18 0.00 -0.13 0.00 0.00 55.73 54.84 1hf6 s ARG 62 Cb -0.09 -3.12 0.06 0.00 -1.56 0.00 0.00 34.95 30.24 1hf6 s ARG 62 CO -0.00 -0.07 0.56 0.00 -0.81 0.00 0.00 175.30 174.98 1hf6 s ALA 63 N 1.22 3.43 -0.89 6.12 0.00 -0.24 -0.68 121.76 130.72 1hf6 s ALA 63 Ca 0.03 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 1hf6 s ALA 63 Cb -0.15 -3.26 0.13 0.00 0.00 0.00 0.00 23.12 19.84 1hf6 s ALA 63 CO 0.01 -1.90 1.09 0.00 0.00 0.00 0.00 175.76 174.96 1hf6 s ALA 64 N 2.37 3.38 -0.87 0.00 0.00 -1.26 -2.01 121.76 123.38 1hf6 s ALA 64 Ca 0.13 -2.70 -0.18 0.00 0.00 0.00 0.00 51.96 49.21 1hf6 s ALA 64 Cb -0.20 -4.00 0.15 0.00 0.00 0.00 0.00 23.12 19.08 1hf6 s ALA 64 CO 0.11 -2.92 0.99 1.41 0.00 0.00 0.00 175.76 175.35 1hf6 s MET 65 N 2.69 3.55 0.29 0.00 1.75 -0.55 -2.35 119.30 124.68 1hf6 s MET 65 Ca 0.31 -1.90 -0.28 0.00 -1.25 0.00 0.00 55.69 52.57 1hf6 s MET 65 Cb -0.06 -4.71 -0.14 0.00 2.84 0.00 0.00 34.83 32.75 1hf6 s MET 65 CO -0.08 -1.62 0.97 0.66 -0.65 0.00 0.00 175.02 174.30 1hf6 n TYR 66 N 5.84 1.11 -0.09 4.11 4.02 -1.26 -1.10 117.16 129.78 1hf6 n TYR 66 Ca 0.18 0.71 -0.18 0.00 -0.01 0.00 0.00 57.90 58.60 1hf6 n TYR 66 Cb 0.48 -2.22 -0.10 0.00 -0.02 0.00 0.00 39.34 37.47 1hf6 n TYR 66 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1hf6 h THR 67 N 1.87 0.95 -3.14 -0.72 1.35 -1.88 -0.30 112.91 111.05 1hf6 h THR 67 Ca -0.39 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1hf6 h THR 67 Cb 1.35 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1hf6 h THR 67 CO 0.60 0.32 0.00 -0.24 -0.25 0.00 0.00 175.52 175.95 1hf6 n SER 68 N -4.50 0.00 -3.74 5.36 2.88 -1.26 -1.24 113.62 111.12 1hf6 n SER 68 Ca -0.24 -0.16 -0.27 0.00 -1.33 0.00 0.00 58.87 56.87 1hf6 n SER 68 Cb 0.58 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.09 1hf6 n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1hf6 n SER 69 N -0.48 -5.66 0.00 -3.46 7.64 -1.26 -0.94 113.62 109.46 1hf6 n SER 69 Ca 0.00 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1hf6 n SER 69 Cb 0.00 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 1hf6 n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hf6 n GLY 70 N -1.85 0.73 0.00 0.23 0.00 -1.26 -5.02 105.19 98.01 1hf6 n GLY 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1hf6 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf6 n GLY 71 N -2.48 0.98 0.33 -0.02 0.00 -0.11 -4.47 105.19 99.43 1hf6 n GLY 71 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.57 1hf6 n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1hf6 h TYR 72 N 0.00 1.02 -0.58 1.61 3.20 -0.81 -0.21 116.97 121.19 1hf6 h TYR 72 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1hf6 h TYR 72 Cb 0.00 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 1hf6 h TYR 72 CO 0.00 0.46 0.10 0.82 -1.64 0.00 0.00 178.16 177.90 1hf6 h ILE 73 N 0.95 1.26 -0.05 1.81 1.08 -1.44 -2.49 117.51 118.63 1hf6 h ILE 73 Ca 0.42 -0.97 -0.23 0.00 -0.39 0.00 0.00 64.86 63.69 1hf6 h ILE 73 Cb 0.31 0.76 0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1hf6 h ILE 73 CO -0.22 0.36 -0.89 0.44 -0.69 0.00 0.00 178.15 177.15 1hf6 h ASP 74 N 0.86 0.71 -1.90 1.72 3.32 -1.50 -3.43 116.42 116.20 1hf6 h ASP 74 Ca 0.18 -0.53 -0.24 0.00 0.02 0.00 0.00 57.03 56.46 1hf6 h ASP 74 Cb 0.41 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 39.44 1hf6 h ASP 74 CO 0.01 1.32 -0.57 -0.62 -1.72 0.00 0.00 179.24 177.66 1hf6 s ASP 75 N -7.12 0.87 0.00 6.45 -1.08 -0.17 -5.02 116.67 110.59 1hf6 s ASP 75 Ca -0.08 -0.47 0.24 0.00 -0.52 0.00 0.00 52.55 51.72 1hf6 s ASP 75 Cb 0.09 0.87 1.27 0.00 -1.46 0.00 0.00 42.92 43.68 1hf6 s ASP 75 CO 0.88 -0.36 1.79 -0.81 0.52 0.00 0.00 175.17 177.19 1hf6 n PRO 76 N 5.34 0.46 0.26 4.34 -0.04 -0.94 -3.39 135.00 141.03 1hf6 n PRO 76 Ca -0.01 0.05 0.18 0.00 -0.04 0.00 0.00 63.50 63.67 1hf6 n PRO 76 Cb 0.48 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.36 1hf6 n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hf6 h SER 77 N 0.00 0.00 0.27 3.54 4.64 -1.93 -0.84 113.55 119.23 1hf6 h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hf6 h SER 77 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1hf6 h SER 77 CO 0.00 0.00 0.00 1.62 -0.87 0.00 0.00 176.83 177.58 1hf6 h VAL 78 N 0.00 0.00 -0.06 0.95 3.04 -1.93 -1.04 116.25 117.22 1hf6 h VAL 78 Ca 0.04 -0.13 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1hf6 h VAL 78 Cb 0.31 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1hf6 h VAL 78 CO -0.00 0.00 0.05 0.50 -1.01 0.00 0.00 177.57 177.10 1hf6 h LYS 79 N 0.00 0.00 0.00 4.17 3.64 -1.45 -1.57 116.57 121.35 1hf6 h LYS 79 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1hf6 h LYS 79 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1hf6 h LYS 79 CO 0.00 0.00 -0.45 0.93 -2.27 0.00 0.00 179.45 177.66 1hf6 h GLU 80 N 0.00 0.00 -0.32 1.90 4.39 -1.40 -1.65 114.58 117.50 1hf6 h GLU 80 Ca 0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1hf6 h GLU 80 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1hf6 h GLU 80 CO -0.00 0.45 -0.44 -0.22 -1.16 0.00 0.00 179.01 177.64 1hf6 h LYS 81 N 0.00 0.83 -0.42 2.33 1.63 -1.42 -0.70 116.57 118.83 1hf6 h LYS 81 Ca -0.00 -0.46 0.06 0.00 -0.85 0.00 0.00 60.65 59.39 1hf6 h LYS 81 Cb 0.91 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.52 1hf6 h LYS 81 CO 0.06 1.10 0.13 0.28 -3.45 0.00 0.00 179.45 177.57 1hf6 h VAL 82 N 0.67 0.85 -0.52 2.00 2.07 -1.10 -1.39 116.25 118.82 1hf6 h VAL 82 Ca 0.04 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1hf6 h VAL 82 Cb 1.02 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1hf6 h VAL 82 CO 0.10 0.05 0.31 0.11 0.02 0.00 0.00 177.57 178.16 1hf6 h LYS 83 N 0.29 0.60 -0.63 1.57 1.57 -1.09 -0.61 116.57 118.26 1hf6 h LYS 83 Ca 0.20 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1hf6 h LYS 83 Cb 0.20 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1hf6 h LYS 83 CO -0.21 0.39 0.32 1.49 -0.57 0.00 0.00 179.45 180.87 1hf6 h GLU 84 N 0.61 0.57 -0.54 3.15 4.81 -0.79 -0.54 114.58 121.85 1hf6 h GLU 84 Ca 0.21 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1hf6 h GLU 84 Cb 0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1hf6 h GLU 84 CO -0.10 0.38 0.06 0.00 -0.73 0.00 0.00 179.01 178.62 1hf6 h ALA 85 N 1.36 0.72 -0.37 2.92 0.00 -0.57 -0.61 119.26 122.71 1hf6 h ALA 85 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1hf6 h ALA 85 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hf6 h ALA 85 CO -0.21 0.48 0.13 0.28 0.00 0.00 0.00 179.25 179.93 1hf6 h VAL 86 N 0.79 1.20 -0.48 0.00 2.07 -0.82 -1.03 116.25 117.98 1hf6 h VAL 86 Ca 0.16 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1hf6 h VAL 86 Cb 0.45 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1hf6 h VAL 86 CO 0.02 0.22 -0.04 -0.33 0.02 0.00 0.00 177.57 177.46 1hf6 h GLU 87 N 0.44 0.83 -0.61 1.57 5.08 -0.98 -0.79 114.58 120.12 1hf6 h GLU 87 Ca 0.12 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1hf6 h GLU 87 Cb 0.22 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1hf6 h GLU 87 CO -0.01 0.85 0.33 0.00 -1.00 0.00 0.00 179.01 179.19 1hf6 h ALA 88 N 1.19 0.79 -0.70 3.43 0.00 -0.89 -0.62 119.26 122.46 1hf6 h ALA 88 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1hf6 h ALA 88 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1hf6 h ALA 88 CO 0.03 0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.91 1hf6 h ALA 89 N 1.15 0.90 -0.52 0.00 0.00 -0.68 0.77 119.26 120.89 1hf6 h ALA 89 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hf6 h ALA 89 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1hf6 h ALA 89 CO -0.03 0.49 0.31 0.82 0.00 0.00 0.00 179.25 180.84 1hf6 h ILE 90 N 0.98 1.16 -0.03 0.00 2.04 -0.90 0.53 117.51 121.28 1hf6 h ILE 90 Ca 0.24 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1hf6 h ILE 90 Cb 0.15 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1hf6 h ILE 90 CO -0.03 0.16 -0.40 0.44 0.00 0.00 0.00 178.15 178.32 1hf6 h ASP 91 N 0.69 0.06 0.41 1.72 3.32 -0.52 -2.70 116.42 119.40 1hf6 h ASP 91 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1hf6 h ASP 91 Cb -0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1hf6 h ASP 91 CO -0.04 0.46 -0.42 0.18 -1.72 0.00 0.00 179.24 177.70 1hf6 n LEU 92 N -4.05 0.67 -3.03 1.55 4.77 0.21 -4.97 117.00 112.15 1hf6 n LEU 92 Ca -0.02 -0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.72 1hf6 n LEU 92 Cb 0.44 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1hf6 n LEU 92 CO 0.40 0.15 0.14 -0.67 -1.33 0.00 0.00 177.39 176.07 1hf6 n ASP 93 N -1.22 -3.45 -4.41 -1.43 2.03 0.08 -4.57 116.55 103.57 1hf6 n ASP 93 Ca 0.08 -0.49 -0.20 0.00 0.52 0.00 0.00 54.79 54.70 1hf6 n ASP 93 Cb 0.34 -4.29 -0.10 0.00 -0.72 0.00 0.00 41.12 36.34 1hf6 n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1hf6 s ILE 94 N -3.28 1.39 0.64 5.18 -4.36 -0.61 -2.00 121.20 118.16 1hf6 s ILE 94 Ca 0.19 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 1hf6 s ILE 94 Cb -0.08 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 1hf6 s ILE 94 CO 0.60 -0.24 1.03 -0.31 0.24 0.00 0.00 174.94 176.26 1hf6 s TYR 95 N -3.17 3.51 -0.05 1.37 2.02 -0.76 -4.38 117.35 115.89 1hf6 s TYR 95 Ca 0.31 1.15 -0.03 0.00 -0.37 0.00 0.00 57.07 58.13 1hf6 s TYR 95 Cb 0.05 -2.81 0.02 0.00 -0.40 0.00 0.00 41.96 38.83 1hf6 s TYR 95 CO 0.12 -0.83 0.12 0.54 -1.57 0.00 0.00 175.55 173.92 1hf6 s VAL 96 N -3.20 -0.03 -0.22 0.71 0.11 -0.25 -1.58 120.40 115.94 1hf6 s VAL 96 Ca 0.55 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.63 1hf6 s VAL 96 Cb -0.11 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1hf6 s VAL 96 CO 0.52 0.04 0.08 -0.63 -3.33 0.00 0.00 175.10 171.79 1hf6 s ILE 97 N 0.66 4.68 -0.54 7.04 1.01 -0.10 -0.81 121.20 133.15 1hf6 s ILE 97 Ca -0.05 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 1hf6 s ILE 97 Cb -0.07 -3.16 0.06 0.00 0.01 0.00 0.00 42.46 39.31 1hf6 s ILE 97 CO -0.03 0.38 0.72 -0.63 0.00 0.00 0.00 174.94 175.38 1hf6 s ILE 98 N 1.07 4.73 -0.35 2.92 1.01 -0.10 -1.08 121.20 129.40 1hf6 s ILE 98 Ca 0.05 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1hf6 s ILE 98 Cb -0.14 -4.40 0.02 0.00 0.01 0.00 0.00 42.46 37.95 1hf6 s ILE 98 CO 0.03 -0.97 0.17 -0.62 0.00 0.00 0.00 174.94 173.56 1hf6 s ASP 99 N 2.95 5.58 -0.89 3.58 2.15 -0.85 -0.59 116.67 128.61 1hf6 s ASP 99 Ca 0.18 -0.90 -0.25 0.00 0.43 0.00 0.00 52.55 52.01 1hf6 s ASP 99 Cb -0.19 -1.98 0.03 0.00 -0.30 0.00 0.00 42.92 40.48 1hf6 s ASP 99 CO 0.12 -0.32 1.46 0.86 -0.17 0.00 0.00 175.17 177.12 1hf6 s TRP 100 N 1.54 2.33 -1.19 -5.34 -0.11 -0.19 -1.48 118.94 114.49 1hf6 s TRP 100 Ca 0.02 -0.34 -0.10 0.00 1.22 0.00 0.00 56.10 56.90 1hf6 s TRP 100 Cb -0.19 -4.58 0.21 0.00 -1.50 0.00 0.00 33.47 27.42 1hf6 s TRP 100 CO 0.06 -1.99 1.47 1.58 -4.62 0.00 0.00 176.95 173.44 1hf6 n HIS 101 N 9.72 4.24 -2.38 5.86 -0.00 -0.26 -1.60 115.22 130.80 1hf6 n HIS 101 Ca 0.22 -3.26 -0.34 0.00 0.46 0.00 0.00 57.72 54.80 1hf6 n HIS 101 Cb 0.50 -1.90 -0.02 0.00 -0.12 0.00 0.00 29.99 28.46 1hf6 n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1hf6 s ILE 102 N 0.03 3.60 0.00 3.57 -4.36 -1.26 -2.95 121.20 119.83 1hf6 s ILE 102 Ca 0.38 0.96 0.00 0.00 -0.26 0.00 0.00 60.65 61.72 1hf6 s ILE 102 Cb -0.01 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.32 1hf6 s ILE 102 CO -0.00 -0.25 0.00 -0.11 0.24 0.00 0.00 174.94 174.81 1hf6 n LEU 103 N -1.24 0.00 0.08 0.37 7.94 -1.26 -3.18 117.00 119.70 1hf6 n LEU 103 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1hf6 n LEU 103 Cb 0.52 0.06 0.31 0.00 0.53 0.00 0.00 43.42 44.84 1hf6 n LEU 103 CO 0.41 -0.06 0.82 0.77 -1.11 0.00 0.00 177.39 178.23 1hf6 h SER 104 N 0.00 0.31 -0.77 1.96 4.64 -1.92 -3.14 113.55 114.64 1hf6 h SER 104 Ca 0.00 -0.08 -0.66 0.00 -0.47 0.00 0.00 61.79 60.58 1hf6 h SER 104 Cb 0.00 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 61.93 1hf6 h SER 104 CO 0.00 0.52 2.19 -0.90 -0.87 0.00 0.00 176.83 177.77 1hf6 n ASP 105 N -4.20 4.72 0.19 4.97 5.75 -1.26 -4.82 116.55 121.90 1hf6 n ASP 105 Ca -0.00 -2.90 0.13 0.00 -0.01 0.00 0.00 54.79 52.00 1hf6 n ASP 105 Cb 0.33 -1.74 0.26 0.00 -1.03 0.00 0.00 41.12 38.94 1hf6 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1hf6 h ASN 106 N 7.63 0.00 -3.77 -1.12 -1.07 -1.85 -3.40 115.58 112.00 1hf6 h ASN 106 Ca 0.44 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 56.17 1hf6 h ASN 106 Cb 0.86 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.92 1hf6 h ASN 106 CO 1.47 0.00 -0.55 -0.62 0.07 0.00 0.00 177.43 177.80 1hf6 s ASP 107 N -5.68 5.73 0.62 6.14 -1.08 -1.26 -1.69 116.67 119.45 1hf6 s ASP 107 Ca 0.08 -0.06 0.42 0.00 -0.52 0.00 0.00 52.55 52.47 1hf6 s ASP 107 Cb 0.07 -2.05 2.26 0.00 -1.46 0.00 0.00 42.92 41.75 1hf6 s ASP 107 CO 0.64 -0.03 2.28 1.55 0.52 0.00 0.00 175.17 180.13 1hf6 h PRO 108 N 8.18 0.00 0.00 4.34 0.13 -1.91 -1.91 132.00 140.83 1hf6 h PRO 108 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1hf6 h PRO 108 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hf6 h PRO 108 CO 0.57 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.43 1hf6 n ASN 109 N -2.97 0.73 -0.19 1.44 3.02 -1.26 -3.35 115.26 112.69 1hf6 n ASN 109 Ca -0.03 0.66 -0.05 0.00 -0.03 0.00 0.00 54.58 55.13 1hf6 n ASN 109 Cb 0.07 -0.82 0.05 0.00 -0.61 0.00 0.00 39.78 38.46 1hf6 n ASN 109 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1hf6 h ILE 110 N 0.00 1.07 -0.60 2.41 2.04 -1.71 -2.81 117.51 117.91 1hf6 h ILE 110 Ca 0.00 -0.23 -0.42 0.00 1.00 0.00 0.00 64.86 65.21 1hf6 h ILE 110 Cb 0.42 0.34 -0.29 0.00 -0.74 0.00 0.00 36.82 36.55 1hf6 h ILE 110 CO 0.00 0.12 -0.41 -1.22 0.00 0.00 0.00 178.15 176.65 1hf6 n TYR 111 N -4.76 2.10 -0.22 1.37 4.01 -1.23 -4.79 117.16 113.63 1hf6 n TYR 111 Ca 0.04 -2.11 -0.04 0.00 -0.16 0.00 0.00 57.90 55.64 1hf6 n TYR 111 Cb 0.07 -0.51 0.14 0.00 -0.31 0.00 0.00 39.34 38.74 1hf6 n TYR 111 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1hf6 h LYS 112 N 1.76 1.03 -0.39 -0.72 3.64 -1.50 0.12 116.57 120.52 1hf6 h LYS 112 Ca 0.32 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1hf6 h LYS 112 Cb 1.39 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1hf6 h LYS 112 CO 0.69 0.84 0.19 0.93 -2.27 0.00 0.00 179.45 179.83 1hf6 h GLU 113 N 1.01 0.56 -0.62 1.90 4.39 -1.86 -0.85 114.58 119.10 1hf6 h GLU 113 Ca 0.24 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1hf6 h GLU 113 Cb 0.20 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1hf6 h GLU 113 CO -0.02 0.49 0.13 0.93 -1.16 0.00 0.00 179.01 179.38 1hf6 h GLU 114 N 0.49 0.99 -0.39 2.33 3.07 -1.83 -2.37 114.58 116.88 1hf6 h GLU 114 Ca 0.13 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1hf6 h GLU 114 Cb 0.11 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1hf6 h GLU 114 CO -0.02 0.89 0.24 0.00 -1.40 0.00 0.00 179.01 178.72 1hf6 h ALA 115 N 1.20 0.49 -0.46 3.43 0.00 -0.66 -0.48 119.26 122.78 1hf6 h ALA 115 Ca 0.20 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1hf6 h ALA 115 Cb 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1hf6 h ALA 115 CO 0.00 -0.02 0.23 0.87 0.00 0.00 0.00 179.25 180.33 1hf6 h LYS 116 N 0.51 0.44 -0.64 0.00 1.57 -0.97 0.48 116.57 117.96 1hf6 h LYS 116 Ca 0.14 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1hf6 h LYS 116 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1hf6 h LYS 116 CO -0.03 0.29 0.09 -0.44 -0.57 0.00 0.00 179.45 178.79 1hf6 h ASP 117 N 0.45 1.03 -0.33 0.86 3.32 -1.24 0.08 116.42 120.60 1hf6 h ASP 117 Ca 0.20 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1hf6 h ASP 117 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1hf6 h ASP 117 CO -0.15 1.04 0.07 0.15 -1.72 0.00 0.00 179.24 178.64 1hf6 h PHE 118 N 0.98 0.56 0.00 4.55 3.57 -0.83 -1.78 116.94 123.99 1hf6 h PHE 118 Ca 0.19 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1hf6 h PHE 118 Cb 0.46 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1hf6 h PHE 118 CO 0.03 0.58 -0.54 0.74 -2.23 0.00 0.00 178.31 176.90 1hf6 h PHE 119 N 0.37 0.00 -0.12 0.41 0.04 -0.81 -0.46 116.94 116.38 1hf6 h PHE 119 Ca 0.10 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.89 1hf6 h PHE 119 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1hf6 h PHE 119 CO 0.02 0.54 0.03 0.22 -0.60 0.00 0.00 178.31 178.52 1hf6 h ASP 120 N 0.00 0.03 -0.11 2.17 3.58 -0.82 -1.35 116.42 119.92 1hf6 h ASP 120 Ca -0.01 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1hf6 h ASP 120 Cb 0.99 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1hf6 h ASP 120 CO 0.07 0.03 0.06 -0.08 -2.88 0.00 0.00 179.24 176.44 1hf6 h GLU 121 N 0.09 0.15 -0.45 0.28 4.81 -0.85 -0.22 114.58 118.39 1hf6 h GLU 121 Ca 0.05 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1hf6 h GLU 121 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1hf6 h GLU 121 CO -0.06 0.17 -0.20 0.52 -0.73 0.00 0.00 179.01 178.71 1hf6 h MET 122 N 0.09 0.89 -0.01 1.92 2.86 -1.04 -1.54 114.93 118.11 1hf6 h MET 122 Ca 0.04 -0.36 -0.15 0.00 -2.06 0.00 0.00 59.70 57.17 1hf6 h MET 122 Cb 0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1hf6 h MET 122 CO -0.01 1.01 -0.69 0.66 1.06 0.00 0.00 176.91 178.94 1hf6 h SER 123 N 0.78 0.04 -0.44 1.22 4.64 -1.19 -0.36 113.55 118.25 1hf6 h SER 123 Ca 0.11 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1hf6 h SER 123 Cb 0.75 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1hf6 h SER 123 CO 0.06 0.72 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.59 1hf6 h GLU 124 N 0.03 0.82 -0.25 4.77 4.57 -0.81 -0.27 114.58 123.43 1hf6 h GLU 124 Ca -0.01 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 57.81 1hf6 h GLU 124 Cb 1.23 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1hf6 h GLU 124 CO 0.09 0.92 -0.08 1.25 -1.18 0.00 0.00 179.01 180.02 1hf6 h LEU 125 N 0.65 0.50 -1.84 1.64 5.85 -1.11 -3.38 115.31 117.63 1hf6 h LEU 125 Ca 0.11 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1hf6 h LEU 125 Cb 0.60 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1hf6 h LEU 125 CO 0.04 0.77 0.00 -1.22 -0.34 0.00 0.00 178.44 177.68 1hf6 n TYR 126 N -4.53 0.05 0.38 1.25 4.01 -0.16 -4.73 117.16 113.43 1hf6 n TYR 126 Ca -0.04 -0.20 0.08 0.00 -0.16 0.00 0.00 57.90 57.58 1hf6 n TYR 126 Cb 0.31 -0.02 0.34 0.00 -0.31 0.00 0.00 39.34 39.67 1hf6 n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hf6 n GLY 127 N 0.01 -1.00 1.79 2.72 0.00 -0.11 -1.78 105.19 106.82 1hf6 n GLY 127 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1hf6 n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hf6 n ASP 128 N -1.76 4.49 -4.55 1.61 2.03 -1.26 -4.73 116.55 112.38 1hf6 n ASP 128 Ca 0.02 -3.26 -0.31 0.00 0.52 0.00 0.00 54.79 51.76 1hf6 n ASP 128 Cb 0.15 -0.71 -0.11 0.00 -0.72 0.00 0.00 41.12 39.73 1hf6 n ASP 128 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1hf6 s TYR 129 N -3.01 2.75 -1.47 -0.67 2.02 -0.73 -5.03 117.35 111.20 1hf6 s TYR 129 Ca 0.53 -0.14 0.29 0.00 -0.37 0.00 0.00 57.07 57.38 1hf6 s TYR 129 Cb 0.43 -1.52 1.26 0.00 -0.40 0.00 0.00 41.96 41.72 1hf6 s TYR 129 CO 0.12 0.34 1.89 -0.35 -1.57 0.00 0.00 175.55 175.98 1hf6 n PRO 130 N 1.36 0.49 0.19 -1.71 -0.04 -1.26 -3.98 135.00 130.05 1hf6 n PRO 130 Ca -0.15 -0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.24 1hf6 n PRO 130 Cb 0.52 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.82 1hf6 n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1hf6 h ASN 131 N 0.31 0.00 -3.45 3.54 4.21 -1.88 -3.43 115.58 114.88 1hf6 h ASN 131 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 1hf6 h ASN 131 Cb 0.36 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.53 1hf6 h ASN 131 CO 0.00 0.36 0.16 0.68 -1.29 0.00 0.00 177.43 177.34 1hf6 s VAL 132 N -3.58 4.63 -0.08 2.81 -7.23 -1.26 -1.10 120.40 114.61 1hf6 s VAL 132 Ca 0.00 1.64 0.02 0.00 -1.81 0.00 0.00 61.98 61.83 1hf6 s VAL 132 Cb 0.11 -4.11 0.01 0.00 0.56 0.00 0.00 36.38 32.94 1hf6 s VAL 132 CO 0.68 0.41 -0.15 -0.63 -0.31 0.00 0.00 175.10 175.11 1hf6 s ILE 133 N -0.39 1.33 -0.24 -0.62 1.01 0.01 -4.21 121.20 118.10 1hf6 s ILE 133 Ca 0.37 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 1hf6 s ILE 133 Cb -0.21 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1hf6 s ILE 133 CO 0.24 0.40 0.18 -0.31 0.00 0.00 0.00 174.94 175.45 1hf6 s TYR 134 N 0.66 3.32 -0.38 3.97 2.02 -0.49 -0.92 117.35 125.52 1hf6 s TYR 134 Ca -0.14 0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.78 1hf6 s TYR 134 Cb -0.16 -2.29 0.09 0.00 -0.40 0.00 0.00 41.96 39.20 1hf6 s TYR 134 CO 0.04 0.05 0.15 -2.00 -1.57 0.00 0.00 175.55 172.22 1hf6 s GLU 135 N 1.11 2.08 0.06 -0.62 2.12 0.25 -0.28 118.70 123.42 1hf6 s GLU 135 Ca 0.08 -1.68 0.27 0.00 0.36 0.00 0.00 54.97 54.00 1hf6 s GLU 135 Cb -0.14 -3.47 0.81 0.00 0.26 0.00 0.00 34.13 31.60 1hf6 s GLU 135 CO 0.05 -0.95 1.66 0.44 -0.54 0.00 0.00 175.26 175.92 1hf6 n ILE 136 N 4.59 0.18 -3.10 -3.70 -5.35 -0.86 -1.03 119.36 110.09 1hf6 n ILE 136 Ca -0.04 -0.11 0.03 0.00 -0.27 0.00 0.00 62.75 62.35 1hf6 n ILE 136 Cb 0.42 -0.26 -0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1hf6 n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1hf6 s ALA 137 N -3.05 -3.04 0.00 -1.28 0.00 -1.25 -4.72 121.76 108.43 1hf6 s ALA 137 Ca 0.11 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1hf6 s ALA 137 Cb 0.16 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1hf6 s ALA 137 CO 0.62 -2.16 0.99 -1.71 0.00 0.00 0.00 175.76 173.50 1hf6 n ASN 138 N 4.61 0.00 -3.40 0.00 5.15 -0.63 -3.18 115.26 117.80 1hf6 n ASN 138 Ca 0.08 0.99 -0.27 0.00 -0.60 0.00 0.00 54.58 54.78 1hf6 n ASN 138 Cb 0.58 -0.49 -0.10 0.00 -0.53 0.00 0.00 39.78 39.23 1hf6 n ASN 138 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1hf6 s GLU 139 N -2.97 0.86 0.41 1.20 2.02 -1.19 -4.63 118.70 114.41 1hf6 s GLU 139 Ca 0.00 -2.01 -0.25 0.00 0.02 0.00 0.00 54.97 52.73 1hf6 s GLU 139 Cb 0.00 -1.40 -0.11 0.00 0.10 0.00 0.00 34.13 32.72 1hf6 s GLU 139 CO 0.00 -1.37 1.06 -2.30 0.02 0.00 0.00 175.26 172.68 1hf6 n PRO 140 N 2.99 1.46 -3.66 0.39 -0.02 -1.26 -4.49 135.00 130.42 1hf6 n PRO 140 Ca 0.28 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1hf6 n PRO 140 Cb 0.47 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 1hf6 n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hf6 s ASN 141 N -0.69 -0.39 0.00 2.55 2.20 -0.68 -0.56 114.94 117.37 1hf6 s ASN 141 Ca 0.63 -0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 1hf6 s ASN 141 Cb -0.55 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 39.35 1hf6 s ASN 141 CO 0.57 -1.14 0.00 0.61 -2.94 0.00 0.00 177.10 174.20 1hf6 n GLY 142 N -0.41 2.33 0.25 0.45 0.00 -1.26 -4.51 105.19 102.04 1hf6 n GLY 142 Ca -0.10 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.38 1hf6 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hf6 h SER 143 N 0.00 0.00 -0.29 1.61 4.64 -2.01 -2.07 113.55 115.43 1hf6 h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hf6 h SER 143 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hf6 h SER 143 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1hf6 n ASP 144 N -2.87 2.01 -4.06 4.97 5.75 -1.26 -4.70 116.55 116.38 1hf6 n ASP 144 Ca 0.00 -1.86 -0.32 0.00 -0.01 0.00 0.00 54.79 52.60 1hf6 n ASP 144 Cb 0.25 -0.19 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 1hf6 n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1hf6 s VAL 145 N -1.62 2.28 0.29 2.12 1.01 -0.78 -4.95 120.40 118.76 1hf6 s VAL 145 Ca 0.30 -1.91 0.10 0.00 0.00 0.00 0.00 61.98 60.47 1hf6 s VAL 145 Cb 0.16 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1hf6 s VAL 145 CO 0.23 -0.27 -0.08 0.42 0.00 0.00 0.00 175.10 175.39 1hf6 s THR 146 N 1.03 2.89 0.11 3.92 -4.23 -1.26 -4.69 115.64 113.40 1hf6 s THR 146 Ca -0.01 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 1hf6 s THR 146 Cb -0.20 -2.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.93 1hf6 s THR 146 CO -0.06 -0.35 1.60 -0.25 -0.54 0.00 0.00 174.62 175.02 1hf6 h TRP 147 N 2.03 -1.01 -0.31 3.99 2.91 -1.96 -0.58 115.95 121.02 1hf6 h TRP 147 Ca -0.42 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.50 1hf6 h TRP 147 Cb 1.25 0.42 -0.01 0.00 -0.51 0.00 0.00 29.16 30.31 1hf6 h TRP 147 CO 0.74 -0.48 -0.30 0.78 -1.03 0.00 0.00 178.44 178.16 1hf6 h GLY 148 N -0.63 0.71 0.81 2.65 0.00 -1.96 0.14 103.07 104.79 1hf6 h GLY 148 Ca 0.02 -0.63 -0.32 0.00 0.00 0.00 0.00 47.33 46.39 1hf6 h GLY 148 CO -0.19 0.58 -1.84 0.70 0.00 0.00 0.00 176.54 175.79 1hf6 n ASN 149 N -4.08 1.21 0.00 0.19 3.02 -1.21 -4.53 115.26 109.86 1hf6 n ASN 149 Ca -0.01 0.33 -0.02 0.00 -0.03 0.00 0.00 54.58 54.85 1hf6 n ASN 149 Cb 0.46 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 1hf6 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hf6 n GLN 150 N -3.16 0.05 -0.05 3.52 3.00 -0.34 -4.76 117.38 115.64 1hf6 n GLN 150 Ca -0.22 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.67 1hf6 n GLN 150 Cb 1.05 -0.58 -0.11 0.00 0.00 0.00 0.00 30.24 30.61 1hf6 n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1hf6 h ILE 151 N -0.08 1.45 -0.31 5.09 2.04 -1.06 -2.67 117.51 121.97 1hf6 h ILE 151 Ca -0.04 -1.96 0.03 0.00 1.00 0.00 0.00 64.86 63.89 1hf6 h ILE 151 Cb 0.79 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 39.51 1hf6 h ILE 151 CO -0.03 0.47 0.12 0.50 0.00 0.00 0.00 178.15 179.22 1hf6 h LYS 152 N -0.94 0.26 -0.52 2.37 3.64 -0.97 -0.80 116.57 119.61 1hf6 h LYS 152 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1hf6 h LYS 152 Cb 0.78 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1hf6 h LYS 152 CO 0.00 0.17 0.11 -1.35 -2.27 0.00 0.00 179.45 176.12 1hf6 h PRO 153 N 0.27 0.80 -0.40 1.90 0.11 -1.77 -0.54 132.00 132.37 1hf6 h PRO 153 Ca 0.13 -0.17 0.04 0.00 0.11 0.00 0.00 66.00 66.11 1hf6 h PRO 153 Cb 0.08 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.03 1hf6 h PRO 153 CO -0.12 0.73 0.18 -0.92 -0.21 0.00 0.00 178.00 177.66 1hf6 h TYR 154 N 0.77 0.33 -0.44 0.65 3.20 -1.09 -2.28 116.97 118.10 1hf6 h TYR 154 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1hf6 h TYR 154 Cb 0.30 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1hf6 h TYR 154 CO 0.02 0.16 0.15 0.00 -1.64 0.00 0.00 178.16 176.85 1hf6 h ALA 155 N 1.23 1.45 0.00 1.82 0.00 -0.59 -1.08 119.26 122.09 1hf6 h ALA 155 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hf6 h ALA 155 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1hf6 h ALA 155 CO -0.14 0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.91 1hf6 n GLU 156 N -4.35 0.55 -0.09 0.00 1.02 -0.26 -0.69 120.64 116.82 1hf6 n GLU 156 Ca 0.03 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 1hf6 n GLU 156 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1hf6 n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hf6 n GLU 157 N -1.17 0.68 0.07 3.49 1.02 -0.51 -4.52 120.64 119.70 1hf6 n GLU 157 Ca 0.15 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.23 1hf6 n GLU 157 Cb 0.16 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 1hf6 n GLU 157 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hf6 h VAL 158 N 0.02 1.46 -0.80 2.62 2.07 -0.99 -3.33 116.25 117.29 1hf6 h VAL 158 Ca -0.52 -2.57 0.06 0.00 0.82 0.00 0.00 66.70 64.49 1hf6 h VAL 158 Cb 2.01 3.16 -0.06 0.00 -1.52 0.00 0.00 31.29 34.88 1hf6 h VAL 158 CO -0.02 0.74 0.48 0.40 0.02 0.00 0.00 177.57 179.19 1hf6 h ILE 159 N -0.25 1.02 -0.59 4.57 2.04 -1.16 -1.95 117.51 121.19 1hf6 h ILE 159 Ca -0.17 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1hf6 h ILE 159 Cb 1.76 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1hf6 h ILE 159 CO 0.18 0.16 0.39 -0.65 0.00 0.00 0.00 178.15 178.23 1hf6 h PRO 160 N 0.88 0.78 -0.11 2.37 0.11 -1.79 0.44 132.00 134.67 1hf6 h PRO 160 Ca 0.35 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.43 1hf6 h PRO 160 Cb 0.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1hf6 h PRO 160 CO -0.18 0.52 0.02 0.82 -0.21 0.00 0.00 178.00 178.97 1hf6 h ILE 161 N 0.80 0.95 -0.21 4.15 1.08 -1.48 -1.51 117.51 121.29 1hf6 h ILE 161 Ca 0.22 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1hf6 h ILE 161 Cb -0.09 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1hf6 h ILE 161 CO -0.05 0.01 0.12 0.40 -0.69 0.00 0.00 178.15 177.95 1hf6 h ILE 162 N 0.07 1.10 0.00 -0.67 2.04 -0.91 -3.10 117.51 116.05 1hf6 h ILE 162 Ca 0.05 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1hf6 h ILE 162 Cb 0.04 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1hf6 h ILE 162 CO -0.06 0.10 -0.10 0.03 0.00 0.00 0.00 178.15 178.11 1hf6 h ARG 163 N 0.25 0.00 0.00 2.37 2.47 -0.74 0.13 114.38 118.86 1hf6 h ARG 163 Ca 0.08 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1hf6 h ARG 163 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1hf6 h ARG 163 CO -0.01 0.10 -0.16 -0.97 0.56 0.00 0.00 179.97 179.50 1hf6 h ASN 164 N 0.00 0.00 0.00 7.04 -1.24 -1.19 -3.24 115.58 116.95 1hf6 h ASN 164 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1hf6 h ASN 164 Cb 0.36 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1hf6 h ASN 164 CO 0.01 0.16 -1.82 0.59 -1.29 0.00 0.00 177.43 175.08 1hf6 n ASN 165 N -3.80 1.56 -3.37 1.15 3.02 -0.33 -4.95 115.26 108.55 1hf6 n ASN 165 Ca -0.02 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 1hf6 n ASN 165 Cb 0.26 1.27 -0.08 0.00 -0.61 0.00 0.00 39.78 40.62 1hf6 n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1hf6 s ASP 166 N -4.22 1.21 0.37 6.41 -1.08 0.32 -4.74 116.67 114.94 1hf6 s ASP 166 Ca -0.06 -1.08 0.28 0.00 -0.52 0.00 0.00 52.55 51.16 1hf6 s ASP 166 Cb 0.07 0.64 1.07 0.00 -1.46 0.00 0.00 42.92 43.24 1hf6 s ASP 166 CO 0.60 -0.32 1.81 -0.65 0.52 0.00 0.00 175.17 177.13 1hf6 h PRO 167 N 7.68 0.00 0.00 4.34 0.11 -1.82 -3.33 132.00 138.98 1hf6 h PRO 167 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1hf6 h PRO 167 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1hf6 h PRO 167 CO 0.26 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.32 1hf6 n ASN 168 N -2.61 0.00 -4.73 -2.05 0.23 -1.26 -4.96 115.26 99.88 1hf6 n ASN 168 Ca 0.02 -1.00 -0.34 0.00 -0.53 0.00 0.00 54.58 52.73 1hf6 n ASN 168 Cb 0.29 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.09 1hf6 n ASN 168 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1hf6 s ASN 169 N 0.00 4.23 0.38 0.53 0.01 -1.26 -4.86 114.94 113.97 1hf6 s ASN 169 Ca 0.00 2.26 -0.28 0.00 -0.71 0.00 0.00 52.86 54.14 1hf6 s ASN 169 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 1hf6 s ASN 169 CO 0.00 -2.23 1.42 -0.63 -1.51 0.00 0.00 177.10 174.14 1hf6 s ILE 170 N -2.14 2.26 -0.14 0.60 -1.09 -1.26 -4.91 121.20 114.51 1hf6 s ILE 170 Ca 0.72 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 1hf6 s ILE 170 Cb -0.27 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.47 1hf6 s ILE 170 CO 0.46 0.05 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.38 1hf6 s ILE 171 N -1.15 2.06 -0.24 2.92 1.01 -0.81 -1.39 121.20 123.60 1hf6 s ILE 171 Ca 0.54 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1hf6 s ILE 171 Cb -0.44 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1hf6 s ILE 171 CO 0.58 0.55 0.16 -0.63 0.00 0.00 0.00 174.94 175.60 1hf6 s ILE 172 N 0.86 5.36 -0.18 2.92 1.01 0.61 -0.90 121.20 130.89 1hf6 s ILE 172 Ca -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1hf6 s ILE 172 Cb -0.15 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1hf6 s ILE 172 CO -0.03 0.35 -0.09 -0.69 0.00 0.00 0.00 174.94 174.48 1hf6 s VAL 173 N 1.00 3.20 0.88 2.92 1.01 0.25 -2.04 120.40 127.62 1hf6 s VAL 173 Ca 0.08 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1hf6 s VAL 173 Cb -0.13 -2.40 0.13 0.00 0.00 0.00 0.00 36.38 33.97 1hf6 s VAL 173 CO 0.04 0.48 1.15 -0.83 0.00 0.00 0.00 175.10 175.93 1hf6 s GLY 174 N 0.95 1.75 0.37 4.51 0.00 -1.19 -1.13 107.32 112.58 1hf6 s GLY 174 Ca -0.01 0.59 0.05 0.00 0.00 0.00 0.00 44.72 45.35 1hf6 s GLY 174 CO -0.00 1.00 0.04 -0.51 0.00 0.00 0.00 173.10 173.63 1hf6 s THR 175 N -2.61 1.47 0.94 0.90 -4.23 -1.26 -4.79 115.64 106.06 1hf6 s THR 175 Ca 0.67 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 1hf6 s THR 175 Cb -0.23 -2.83 0.15 0.00 1.34 0.00 0.00 72.50 70.93 1hf6 s THR 175 CO 0.57 0.00 1.09 -0.83 -0.54 0.00 0.00 174.62 174.91 1hf6 s GLY 176 N -3.59 1.61 -1.16 3.99 0.00 -1.26 -1.17 107.32 105.75 1hf6 s GLY 176 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 44.72 45.03 1hf6 s GLY 176 CO 0.16 0.52 0.90 2.41 0.00 0.00 0.00 173.10 177.08 1hf6 n THR 177 N -4.07 -6.83 -3.49 0.90 -1.04 -1.21 -1.25 114.28 97.29 1hf6 n THR 177 Ca 0.07 -0.84 -0.20 0.00 -2.04 0.00 0.00 64.05 61.04 1hf6 n THR 177 Cb 0.55 -5.25 0.09 0.00 -1.82 0.00 0.00 70.33 63.89 1hf6 n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1hf6 n TRP 178 N -3.85 -2.44 -3.62 -1.42 8.01 0.28 -2.77 117.44 111.64 1hf6 n TRP 178 Ca -0.20 0.97 -0.24 0.00 -1.31 0.00 0.00 57.50 56.72 1hf6 n TRP 178 Cb 0.65 -5.07 0.07 0.00 -2.01 0.00 0.00 31.31 24.95 1hf6 n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1hf6 n SER 179 N -3.09 -5.36 -0.03 -0.99 7.64 -0.31 -4.55 113.62 106.93 1hf6 n SER 179 Ca -0.18 -0.59 -0.00 0.00 1.01 0.00 0.00 58.87 59.10 1hf6 n SER 179 Cb 0.63 -4.88 -0.08 0.00 -1.01 0.00 0.00 64.21 58.87 1hf6 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hf6 n GLN 180 N -4.81 1.41 -2.19 1.43 6.02 -0.47 -0.80 117.38 117.97 1hf6 n GLN 180 Ca -0.04 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 1hf6 n GLN 180 Cb 0.58 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.58 1hf6 n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1hf6 n ASP 181 N -2.14 5.28 0.24 1.08 2.03 -0.38 -4.60 116.55 118.06 1hf6 n ASP 181 Ca -0.10 -3.07 0.14 0.00 0.52 0.00 0.00 54.79 52.29 1hf6 n ASP 181 Cb 0.57 -1.49 0.41 0.00 -0.72 0.00 0.00 41.12 39.89 1hf6 n ASP 181 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1hf6 h VAL 182 N 3.64 0.00 -0.24 5.18 -1.51 -1.87 -3.24 116.25 118.21 1hf6 h VAL 182 Ca 0.46 -0.76 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 1hf6 h VAL 182 Cb 0.59 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 1hf6 h VAL 182 CO 1.66 0.00 0.13 -0.74 -1.23 0.00 0.00 177.57 177.38 1hf6 h HIS 183 N 0.00 0.34 -0.48 5.19 -0.00 -1.83 0.19 115.15 118.56 1hf6 h HIS 183 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.25 1hf6 h HIS 183 Cb 0.77 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.05 1hf6 h HIS 183 CO 0.00 0.32 -0.14 0.45 -0.00 0.00 0.00 177.93 178.56 1hf6 h HIS 184 N 0.27 1.02 -0.65 5.26 3.86 -1.96 -2.31 115.15 120.64 1hf6 h HIS 184 Ca 0.08 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 59.03 1hf6 h HIS 184 Cb 0.09 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1hf6 h HIS 184 CO -0.03 0.98 0.21 0.00 0.86 0.00 0.00 177.93 179.96 1hf6 h ALA 185 N 1.02 0.86 0.00 2.45 0.00 -1.54 -2.88 119.26 119.16 1hf6 h ALA 185 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1hf6 h ALA 185 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1hf6 h ALA 185 CO 0.05 0.52 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1hf6 h ALA 186 N 1.09 1.24 -0.00 0.00 0.00 -0.72 -1.28 119.26 119.58 1hf6 h ALA 186 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hf6 h ALA 186 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1hf6 h ALA 186 CO -0.01 0.25 -0.13 -0.25 0.00 0.00 0.00 179.25 179.11 1hf6 n ASP 187 N -3.68 0.42 -2.96 0.00 8.00 -0.89 -4.34 116.55 113.10 1hf6 n ASP 187 Ca -0.01 -0.43 -0.14 0.00 0.71 0.00 0.00 54.79 54.92 1hf6 n ASP 187 Cb 0.32 -0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1hf6 n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hf6 n ASN 188 N -1.06 -0.76 -4.79 -2.24 5.15 -0.51 -5.10 115.26 105.95 1hf6 n ASN 188 Ca 0.13 -3.34 -0.32 0.00 -0.60 0.00 0.00 54.58 50.44 1hf6 n ASN 188 Cb 0.29 0.64 0.04 0.00 -0.53 0.00 0.00 39.78 40.22 1hf6 n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1hf6 s GLN 189 N -1.06 2.94 0.74 1.20 -0.21 -1.04 -4.85 119.66 117.37 1hf6 s GLN 189 Ca 0.31 1.23 -0.12 0.00 0.02 0.00 0.00 55.36 56.81 1hf6 s GLN 189 Cb 0.32 -1.98 0.04 0.00 1.00 0.00 0.00 33.01 32.39 1hf6 s GLN 189 CO -0.07 -1.12 1.10 -0.51 -2.12 0.00 0.00 175.29 172.56 1hf6 s LEU 190 N -4.96 3.13 0.13 2.90 1.43 -1.26 -5.00 118.68 115.05 1hf6 s LEU 190 Ca 0.64 1.86 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 1hf6 s LEU 190 Cb -0.18 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.39 1hf6 s LEU 190 CO 0.44 -1.92 1.30 0.00 0.23 0.00 0.00 176.35 176.40 1hf6 h ALA 191 N -0.82 0.39 -2.72 4.21 0.00 -2.02 -3.46 119.26 114.84 1hf6 h ALA 191 Ca -0.44 -0.82 -0.53 0.00 0.00 0.00 0.00 54.91 53.12 1hf6 h ALA 191 Cb 1.23 -0.09 0.07 0.00 0.00 0.00 0.00 17.79 19.00 1hf6 h ALA 191 CO 0.52 1.04 0.91 0.34 0.00 0.00 0.00 179.25 182.06 1hf6 s ASP 192 N -6.90 6.44 0.06 0.00 -1.08 -1.26 -4.87 116.67 109.06 1hf6 s ASP 192 Ca -0.02 2.84 0.25 0.00 -0.52 0.00 0.00 52.55 55.10 1hf6 s ASP 192 Cb 0.10 -2.62 1.00 0.00 -1.46 0.00 0.00 42.92 39.94 1hf6 s ASP 192 CO 0.83 -0.89 1.78 -0.81 0.52 0.00 0.00 175.17 176.60 1hf6 n PRO 193 N 3.02 0.06 -1.93 4.34 -0.04 -1.26 -3.41 135.00 135.78 1hf6 n PRO 193 Ca 0.11 0.13 -0.26 0.00 -0.04 0.00 0.00 63.50 63.44 1hf6 n PRO 193 Cb 0.37 -1.58 0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1hf6 n PRO 193 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1hf6 n ASN 194 N -1.69 5.45 -4.88 3.54 3.02 -1.26 -4.38 115.26 115.06 1hf6 n ASN 194 Ca 0.06 -3.76 -0.33 0.00 -0.03 0.00 0.00 54.58 50.52 1hf6 n ASN 194 Cb 0.31 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 1hf6 n ASN 194 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1hf6 s VAL 195 N -4.72 5.24 0.14 2.41 -7.23 -1.22 -1.93 120.40 113.09 1hf6 s VAL 195 Ca 0.53 -0.29 0.06 0.00 -1.81 0.00 0.00 61.98 60.48 1hf6 s VAL 195 Cb 0.43 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1hf6 s VAL 195 CO 0.01 0.28 -0.14 -0.04 -0.31 0.00 0.00 175.10 174.90 1hf6 s MET 196 N -2.03 1.10 -0.13 4.82 -1.94 -0.08 -4.58 119.30 116.47 1hf6 s MET 196 Ca 0.28 -1.35 -0.04 0.00 -1.71 0.00 0.00 55.69 52.87 1hf6 s MET 196 Cb -0.13 -0.92 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 1hf6 s MET 196 CO 0.20 0.16 0.02 0.71 -0.01 0.00 0.00 175.02 176.10 1hf6 s TYR 197 N -2.50 3.21 0.25 -0.03 2.02 0.06 -0.58 117.35 119.76 1hf6 s TYR 197 Ca 0.13 0.12 -0.30 0.00 -0.37 0.00 0.00 57.07 56.65 1hf6 s TYR 197 Cb -0.03 -1.91 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1hf6 s TYR 197 CO 0.03 0.33 1.13 0.00 -1.57 0.00 0.00 175.55 175.48 1hf6 s ALA 198 N -0.38 3.41 -0.08 3.71 0.00 -0.28 -1.58 121.76 126.57 1hf6 s ALA 198 Ca 0.08 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1hf6 s ALA 198 Cb -0.12 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1hf6 s ALA 198 CO 0.02 -0.23 -0.09 0.12 0.00 0.00 0.00 175.76 175.58 1hf6 s PHE 199 N -0.80 1.30 -0.03 0.00 5.36 -0.93 -4.26 117.98 118.62 1hf6 s PHE 199 Ca 0.47 -0.52 0.07 0.00 -0.96 0.00 0.00 56.93 55.99 1hf6 s PHE 199 Cb -0.32 -1.03 -0.02 0.00 -0.34 0.00 0.00 43.02 41.31 1hf6 s PHE 199 CO 0.40 -0.33 -0.25 -1.01 -1.46 0.00 0.00 175.22 172.57 1hf6 s HIS 200 N 1.09 2.26 0.13 10.12 3.76 0.02 -3.70 115.29 128.96 1hf6 s HIS 200 Ca -0.07 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1hf6 s HIS 200 Cb -0.14 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1hf6 s HIS 200 CO -0.01 -0.07 0.01 -0.59 -0.85 0.00 0.00 174.74 173.23 1hf6 s PHE 201 N -0.50 0.91 -0.05 1.40 -0.12 -1.20 -4.66 117.98 113.75 1hf6 s PHE 201 Ca 0.07 -1.11 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 1hf6 s PHE 201 Cb -0.10 -0.53 0.03 0.00 -0.63 0.00 0.00 43.02 41.78 1hf6 s PHE 201 CO -0.00 -0.37 -0.01 0.71 -0.05 0.00 0.00 175.22 175.50 1hf6 s TYR 202 N -3.87 0.54 -0.39 3.49 2.02 -1.26 -1.48 117.35 116.41 1hf6 s TYR 202 Ca 0.20 -0.10 0.23 0.00 -0.37 0.00 0.00 57.07 57.02 1hf6 s TYR 202 Cb 0.07 -0.61 1.04 0.00 -0.40 0.00 0.00 41.96 42.06 1hf6 s TYR 202 CO -0.00 -0.21 1.70 0.00 -1.57 0.00 0.00 175.55 175.47 1hf6 n ALA 203 N 4.44 1.48 0.44 3.71 0.00 -0.25 -1.45 120.51 128.87 1hf6 n ALA 203 Ca -0.20 0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1hf6 n ALA 203 Cb 0.50 -1.37 0.41 0.00 0.00 0.00 0.00 19.45 19.00 1hf6 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hf6 n GLY 204 N -0.38 -1.15 3.78 0.00 0.00 -0.07 -4.63 105.19 102.74 1hf6 n GLY 204 Ca 0.01 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1hf6 n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hf6 s THR 205 N -3.18 5.28 0.03 2.61 2.01 -0.53 -4.91 115.64 116.95 1hf6 s THR 205 Ca 0.05 0.55 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1hf6 s THR 205 Cb 0.09 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 1hf6 s THR 205 CO 0.33 0.47 1.77 -1.00 -0.69 0.00 0.00 174.62 175.50 1hf6 s HIS 206 N -0.12 1.92 -1.27 4.92 3.76 -1.26 -4.89 115.29 118.34 1hf6 s HIS 206 Ca 0.18 0.01 0.16 0.00 -0.15 0.00 0.00 55.06 55.25 1hf6 s HIS 206 Cb -0.14 -4.06 0.46 0.00 1.11 0.00 0.00 32.58 29.95 1hf6 s HIS 206 CO 0.06 -4.49 1.38 0.41 -0.85 0.00 0.00 174.74 171.25 1hf6 n GLY 207 N 4.23 2.72 0.30 -2.22 0.00 -1.26 -4.71 105.19 104.25 1hf6 n GLY 207 Ca 0.18 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1hf6 n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1hf6 h GLN 208 N 2.93 1.06 -0.09 1.61 4.15 -2.00 -1.12 115.11 121.64 1hf6 h GLN 208 Ca 0.00 -0.35 -0.16 0.00 0.77 0.00 0.00 58.65 58.91 1hf6 h GLN 208 Cb 0.89 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1hf6 h GLN 208 CO 0.02 1.05 -0.62 -0.97 -1.93 0.00 0.00 178.83 176.39 1hf6 h ASN 209 N 0.96 0.37 -0.70 -0.69 -1.24 -2.00 -2.56 115.58 109.73 1hf6 h ASN 209 Ca 0.16 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 56.91 1hf6 h ASN 209 Cb 0.60 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 1hf6 h ASN 209 CO 0.04 0.90 0.27 -0.07 -1.29 0.00 0.00 177.43 177.27 1hf6 h LEU 210 N 0.24 0.99 -0.40 0.34 3.38 -1.75 0.30 115.31 118.40 1hf6 h LEU 210 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1hf6 h LEU 210 Cb 1.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1hf6 h LEU 210 CO 0.10 0.89 0.23 0.03 0.09 0.00 0.00 178.44 179.79 1hf6 h ARG 211 N 1.05 0.55 -0.27 1.13 3.08 -1.13 -1.45 114.38 117.34 1hf6 h ARG 211 Ca 0.24 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1hf6 h ARG 211 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1hf6 h ARG 211 CO -0.02 0.43 -0.01 0.22 -1.07 0.00 0.00 179.97 179.52 1hf6 h ASP 212 N 0.52 0.39 -0.07 7.04 3.58 -0.94 -1.43 116.42 125.51 1hf6 h ASP 212 Ca 0.14 -0.06 -0.15 0.00 0.42 0.00 0.00 57.03 57.38 1hf6 h ASP 212 Cb 0.02 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1hf6 h ASP 212 CO -0.03 0.46 -0.46 1.56 -2.88 0.00 0.00 179.24 177.89 1hf6 h GLN 213 N 0.40 0.62 -0.49 0.28 1.08 -0.52 -0.50 115.11 115.98 1hf6 h GLN 213 Ca 0.09 -0.35 0.02 0.00 -1.45 0.00 0.00 58.65 56.96 1hf6 h GLN 213 Cb 0.29 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1hf6 h GLN 213 CO 0.01 0.95 0.30 0.28 -0.95 0.00 0.00 178.83 179.42 1hf6 h VAL 214 N 0.50 1.06 -0.66 -0.54 2.07 -0.89 -1.48 116.25 116.31 1hf6 h VAL 214 Ca 0.03 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1hf6 h VAL 214 Cb 0.99 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1hf6 h VAL 214 CO 0.09 0.11 0.23 0.44 0.02 0.00 0.00 177.57 178.46 1hf6 h ASP 215 N 0.60 0.92 -0.34 0.57 3.32 -0.94 -0.69 116.42 119.87 1hf6 h ASP 215 Ca 0.20 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1hf6 h ASP 215 Cb 0.00 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1hf6 h ASP 215 CO -0.08 0.84 0.17 0.22 -1.72 0.00 0.00 179.24 178.67 1hf6 h TYR 216 N 0.97 0.31 -0.48 4.55 3.20 -0.64 -0.21 116.97 124.67 1hf6 h TYR 216 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1hf6 h TYR 216 Cb 0.24 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1hf6 h TYR 216 CO 0.02 0.17 0.23 0.00 -1.64 0.00 0.00 178.16 176.94 1hf6 h ALA 217 N 1.18 0.62 -0.63 1.82 0.00 -0.54 -2.12 119.26 119.58 1hf6 h ALA 217 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hf6 h ALA 217 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1hf6 h ALA 217 CO -0.10 0.18 0.37 -0.07 0.00 0.00 0.00 179.25 179.63 1hf6 h LEU 218 N 0.63 0.76 -0.73 0.00 3.38 -0.84 -1.34 115.31 117.17 1hf6 h LEU 218 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1hf6 h LEU 218 Cb 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1hf6 h LEU 218 CO -0.02 0.60 0.00 0.47 0.09 0.00 0.00 178.44 179.58 1hf6 n ASP 219 N -4.40 0.57 -0.67 -0.43 8.00 -0.12 -1.25 116.55 118.25 1hf6 n ASP 219 Ca 0.06 0.66 0.10 0.00 0.71 0.00 0.00 54.79 56.32 1hf6 n ASP 219 Cb 0.08 -0.77 0.32 0.00 -0.02 0.00 0.00 41.12 40.73 1hf6 n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hf6 n GLN 220 N -2.15 1.87 -0.92 -1.24 1.13 -0.53 -4.92 117.38 110.63 1hf6 n GLN 220 Ca 0.02 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.75 1hf6 n GLN 220 Cb 0.19 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1hf6 n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hf6 n GLY 221 N 1.19 0.57 3.75 1.08 0.00 -0.38 -5.02 105.19 106.37 1hf6 n GLY 221 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1hf6 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf6 s ALA 222 N -2.12 3.33 0.05 4.61 0.00 -1.09 -4.13 121.76 122.40 1hf6 s ALA 222 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 1hf6 s ALA 222 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1hf6 s ALA 222 CO 0.00 0.16 0.54 0.00 0.00 0.00 0.00 175.76 176.46 1hf6 s ALA 223 N -0.97 3.60 -0.08 0.00 0.00 -1.25 -4.17 121.76 118.89 1hf6 s ALA 223 Ca 0.42 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.41 1hf6 s ALA 223 Cb -0.26 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1hf6 s ALA 223 CO 0.32 0.38 -0.19 0.42 0.00 0.00 0.00 175.76 176.69 1hf6 s ILE 224 N -0.99 1.68 -0.16 0.00 -1.09 -1.26 -0.76 121.20 118.62 1hf6 s ILE 224 Ca 0.28 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1hf6 s ILE 224 Cb -0.19 -1.47 0.00 0.00 -1.58 0.00 0.00 42.46 39.22 1hf6 s ILE 224 CO 0.18 0.48 -0.16 0.12 -1.23 0.00 0.00 174.94 174.32 1hf6 s PHE 225 N 0.38 2.77 -1.28 3.97 2.19 -0.61 -4.53 117.98 120.86 1hf6 s PHE 225 Ca -0.15 -1.14 -0.14 0.00 0.33 0.00 0.00 56.93 55.83 1hf6 s PHE 225 Cb -0.16 -1.89 0.13 0.00 -1.31 0.00 0.00 43.02 39.79 1hf6 s PHE 225 CO 0.06 -0.53 1.72 0.28 1.83 0.00 0.00 175.22 178.58 1hf6 n VAL 226 N 4.14 4.11 1.13 3.12 0.31 -0.16 -2.19 118.33 128.79 1hf6 n VAL 226 Ca -0.19 -4.29 0.12 0.00 -0.01 0.00 0.00 64.34 59.96 1hf6 n VAL 226 Cb 0.51 -2.43 0.60 0.00 -0.91 0.00 0.00 33.84 31.62 1hf6 n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1hf6 n SER 227 N 5.86 0.00 -3.66 4.52 3.41 -1.24 -1.87 113.62 120.64 1hf6 n SER 227 Ca 0.42 -0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1hf6 n SER 227 Cb 0.41 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1hf6 n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1hf6 s GLU 228 N -2.55 0.60 0.04 4.33 2.12 -1.22 -4.29 118.70 117.71 1hf6 s GLU 228 Ca 0.23 1.03 -0.19 0.00 0.36 0.00 0.00 54.97 56.40 1hf6 s GLU 228 Cb 0.16 0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.69 1hf6 s GLU 228 CO 0.36 -0.14 0.42 1.67 -0.54 0.00 0.00 175.26 177.03 1hf6 s TRP 229 N 1.39 -0.28 0.17 5.30 1.48 -0.97 -3.26 118.94 122.78 1hf6 s TRP 229 Ca -0.09 0.28 0.07 0.00 -1.06 0.00 0.00 56.10 55.30 1hf6 s TRP 229 Cb -0.06 0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 32.43 1hf6 s TRP 229 CO -0.15 -0.56 -0.14 0.20 -4.06 0.00 0.00 176.95 172.24 1hf6 s GLY 230 N -1.91 1.28 0.00 3.67 0.00 -0.55 -0.57 107.32 109.25 1hf6 s GLY 230 Ca -0.06 -1.55 0.28 0.00 0.00 0.00 0.00 44.72 43.40 1hf6 s GLY 230 CO -0.01 -1.63 1.84 -1.30 0.00 0.00 0.00 173.10 172.00 1hf6 n THR 231 N -0.13 0.00 -2.54 0.90 -2.24 -1.26 -1.10 114.28 107.91 1hf6 n THR 231 Ca -0.10 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1hf6 n THR 231 Cb 0.60 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1hf6 n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hf6 n SER 232 N -1.46 0.00 -4.17 3.42 3.41 -1.26 -0.94 113.62 112.62 1hf6 n SER 232 Ca 0.08 -0.99 -0.30 0.00 -0.26 0.00 0.00 58.87 57.40 1hf6 n SER 232 Cb 0.33 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.48 1hf6 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hf6 s ALA 233 N -2.44 1.24 -0.45 7.33 0.00 -0.46 -0.89 121.76 126.08 1hf6 s ALA 233 Ca 0.00 -0.87 0.23 0.00 0.00 0.00 0.00 51.96 51.32 1hf6 s ALA 233 Cb 0.00 -2.91 0.99 0.00 0.00 0.00 0.00 23.12 21.20 1hf6 s ALA 233 CO 0.00 -3.00 1.69 0.00 0.00 0.00 0.00 175.76 174.45 1hf6 n ALA 234 N -4.28 1.54 1.07 0.00 0.00 -1.26 -1.03 120.51 116.55 1hf6 n ALA 234 Ca 0.11 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1hf6 n ALA 234 Cb 0.59 -1.37 0.64 0.00 0.00 0.00 0.00 19.45 19.31 1hf6 n ALA 234 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hf6 n THR 235 N -2.22 0.05 -0.40 0.00 -2.24 -1.26 -4.90 114.28 103.32 1hf6 n THR 235 Ca 0.01 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1hf6 n THR 235 Cb 0.19 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1hf6 n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hf6 n GLY 236 N 1.38 0.91 0.00 3.38 0.00 -0.20 -5.02 105.19 105.64 1hf6 n GLY 236 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1hf6 n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hf6 n ASP 237 N 0.00 0.43 0.00 1.61 2.03 -1.26 -1.90 116.55 117.47 1hf6 n ASP 237 Ca 0.00 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1hf6 n ASP 237 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1hf6 n ASP 237 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hf6 n GLY 238 N 1.09 0.54 0.00 0.27 0.00 -1.26 -1.36 105.19 104.47 1hf6 n GLY 238 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1hf6 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf6 n GLY 239 N -1.49 2.41 3.56 -0.02 0.00 -1.26 -4.67 105.19 103.72 1hf6 n GLY 239 Ca 0.00 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1hf6 n GLY 239 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hf6 s VAL 240 N -2.64 3.62 -0.61 1.61 -7.23 -1.26 -4.06 120.40 109.83 1hf6 s VAL 240 Ca 0.00 -0.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 1hf6 s VAL 240 Cb 0.00 -2.48 0.24 0.00 0.56 0.00 0.00 36.38 34.70 1hf6 s VAL 240 CO 0.00 0.59 0.69 0.49 -0.31 0.00 0.00 175.10 176.56 1hf6 n PHE 241 N 2.36 3.03 0.17 2.82 3.01 -0.12 -4.95 117.46 123.79 1hf6 n PHE 241 Ca -0.18 -4.08 0.02 0.00 1.01 0.00 0.00 57.45 54.22 1hf6 n PHE 241 Cb 0.53 -0.53 0.28 0.00 -0.01 0.00 0.00 39.48 39.76 1hf6 n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1hf6 h LEU 242 N 4.28 0.00 0.28 4.37 3.38 -1.93 -1.05 115.31 124.64 1hf6 h LEU 242 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1hf6 h LEU 242 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1hf6 h LEU 242 CO 0.77 0.47 -0.13 0.44 0.09 0.00 0.00 178.44 180.08 1hf6 h ASP 243 N 0.00 -0.32 0.45 -0.43 3.32 -1.96 -1.23 116.42 116.25 1hf6 h ASP 243 Ca -0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1hf6 h ASP 243 Cb 0.92 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1hf6 h ASP 243 CO 0.06 -0.14 -0.49 -0.08 -1.72 0.00 0.00 179.24 176.87 1hf6 h GLU 244 N -0.47 0.05 -0.87 3.56 4.57 -1.83 -2.39 114.58 117.20 1hf6 h GLU 244 Ca -0.04 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1hf6 h GLU 244 Cb 0.36 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1hf6 h GLU 244 CO 0.06 0.53 0.58 0.00 -1.18 0.00 0.00 179.01 179.00 1hf6 h ALA 245 N 1.47 1.11 -0.60 2.92 0.00 -1.06 -1.55 119.26 121.54 1hf6 h ALA 245 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1hf6 h ALA 245 Cb 0.88 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hf6 h ALA 245 CO 0.07 0.51 -0.00 0.37 0.00 0.00 0.00 179.25 180.19 1hf6 h GLN 246 N 1.18 1.06 -0.39 0.00 5.75 -0.88 0.87 115.11 122.71 1hf6 h GLN 246 Ca 0.32 -0.34 0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1hf6 h GLN 246 Cb -0.14 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.27 1hf6 h GLN 246 CO -0.07 1.04 0.09 0.28 -2.65 0.00 0.00 178.83 177.52 1hf6 h VAL 247 N 0.97 0.82 -0.52 2.39 2.07 -0.93 -0.96 116.25 120.09 1hf6 h VAL 247 Ca 0.17 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1hf6 h VAL 247 Cb 0.56 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1hf6 h VAL 247 CO 0.03 0.04 0.30 -0.50 0.02 0.00 0.00 177.57 177.46 1hf6 h TRP 248 N 0.22 0.70 -0.54 1.57 4.06 -0.81 -1.15 115.95 120.01 1hf6 h TRP 248 Ca 0.18 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.19 1hf6 h TRP 248 Cb 0.21 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.08 1hf6 h TRP 248 CO -0.18 0.50 0.23 0.82 -3.56 0.00 0.00 178.44 176.24 1hf6 h ILE 249 N 0.70 0.87 -0.65 1.49 1.08 -0.40 -0.12 117.51 120.49 1hf6 h ILE 249 Ca 0.19 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.42 1hf6 h ILE 249 Cb 0.02 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1hf6 h ILE 249 CO -0.03 0.08 0.07 0.44 -0.69 0.00 0.00 178.15 178.02 1hf6 h ASP 250 N 0.44 1.06 -0.54 1.72 3.32 -1.03 -1.29 116.42 120.10 1hf6 h ASP 250 Ca 0.25 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1hf6 h ASP 250 Cb 0.24 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1hf6 h ASP 250 CO -0.23 1.07 0.35 0.15 -1.72 0.00 0.00 179.24 178.87 1hf6 h PHE 251 N 1.01 0.68 -0.71 4.55 3.57 -0.87 -0.97 116.94 124.20 1hf6 h PHE 251 Ca 0.19 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1hf6 h PHE 251 Cb 0.49 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1hf6 h PHE 251 CO 0.04 0.43 0.17 0.52 -2.23 0.00 0.00 178.31 177.24 1hf6 h MET 252 N 0.73 1.14 -0.51 1.11 2.86 -0.75 -1.55 114.93 117.96 1hf6 h MET 252 Ca 0.20 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1hf6 h MET 252 Cb -0.08 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1hf6 h MET 252 CO -0.04 1.00 0.14 -0.44 1.06 0.00 0.00 176.91 178.63 1hf6 h ASP 253 N 1.08 0.75 -0.33 1.22 3.32 -0.90 0.72 116.42 122.28 1hf6 h ASP 253 Ca 0.22 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1hf6 h ASP 253 Cb 0.37 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1hf6 h ASP 253 CO 0.00 0.77 0.14 -0.33 -1.72 0.00 0.00 179.24 178.11 1hf6 h GLU 254 N 0.69 0.55 -0.38 3.56 5.08 -0.84 -2.52 114.58 120.73 1hf6 h GLU 254 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1hf6 h GLU 254 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1hf6 h GLU 254 CO -0.00 0.47 0.00 0.54 -1.00 0.00 0.00 179.01 179.01 1hf6 n ARG 255 N -4.37 2.35 -3.98 2.33 3.00 -0.61 -4.97 116.66 110.41 1hf6 n ARG 255 Ca 0.02 -2.05 -0.27 0.00 -0.01 0.00 0.00 57.85 55.55 1hf6 n ARG 255 Cb 0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 1hf6 n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1hf6 n ASN 256 N 1.25 -0.51 -4.71 0.55 5.15 -0.08 -4.95 115.26 111.95 1hf6 n ASN 256 Ca 0.19 -1.05 -0.37 0.00 -0.60 0.00 0.00 54.58 52.76 1hf6 n ASN 256 Cb 0.54 -2.88 -0.07 0.00 -0.53 0.00 0.00 39.78 36.84 1hf6 n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1hf6 s LEU 257 N -7.00 4.22 0.58 1.20 1.43 0.05 -4.84 118.68 114.32 1hf6 s LEU 257 Ca 0.04 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 1hf6 s LEU 257 Cb -0.02 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 1hf6 s LEU 257 CO 0.90 0.07 1.03 -0.44 0.23 0.00 0.00 176.35 178.14 1hf6 s SER 258 N 0.59 6.08 0.07 2.29 0.01 -1.26 -4.71 113.70 116.77 1hf6 s SER 258 Ca 0.16 1.67 -0.22 0.00 1.31 0.00 0.00 55.95 58.87 1hf6 s SER 258 Cb -0.13 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.64 1hf6 s SER 258 CO 0.04 -0.96 0.53 -1.66 0.41 0.00 0.00 173.24 171.60 1hf6 s TRP 259 N -2.64 -0.43 -0.05 2.43 1.48 -0.07 -0.99 118.94 118.66 1hf6 s TRP 259 Ca 0.61 0.41 0.01 0.00 -1.06 0.00 0.00 56.10 56.06 1hf6 s TRP 259 Cb -0.13 0.37 0.02 0.00 -1.16 0.00 0.00 33.47 32.57 1hf6 s TRP 259 CO 0.38 -0.69 -0.04 0.00 -4.06 0.00 0.00 176.95 172.54 1hf6 s ALA 260 N -2.78 0.72 0.16 2.67 0.00 -0.78 -1.67 121.76 120.09 1hf6 s ALA 260 Ca -0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1hf6 s ALA 260 Cb -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 1hf6 s ALA 260 CO -0.04 -0.08 0.71 1.21 0.00 0.00 0.00 175.76 177.56 1hf6 s ASN 261 N 1.06 7.22 -0.35 0.00 3.84 -0.49 -2.28 114.94 123.94 1hf6 s ASN 261 Ca -0.09 1.49 -0.14 0.00 0.21 0.00 0.00 52.86 54.33 1hf6 s ASN 261 Cb -0.14 -2.44 -0.01 0.00 -0.55 0.00 0.00 41.25 38.10 1hf6 s ASN 261 CO -0.01 0.18 0.27 0.86 -2.79 0.00 0.00 177.10 175.61 1hf6 s TRP 262 N -1.24 3.23 0.18 0.43 -0.11 0.26 -0.74 118.94 120.95 1hf6 s TRP 262 Ca 0.36 -0.21 -0.23 0.00 1.22 0.00 0.00 56.10 57.24 1hf6 s TRP 262 Cb -0.20 -2.53 0.06 0.00 -1.50 0.00 0.00 33.47 29.29 1hf6 s TRP 262 CO 0.23 -0.40 0.72 -1.54 -4.62 0.00 0.00 176.95 171.34 1hf6 s SER 263 N 1.72 -0.39 -1.02 5.86 1.04 -1.07 -4.57 113.70 115.27 1hf6 s SER 263 Ca 0.07 -0.26 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 1hf6 s SER 263 Cb -0.17 0.61 0.10 0.00 0.10 0.00 0.00 66.02 66.66 1hf6 s SER 263 CO 0.11 -1.05 1.32 -0.22 0.98 0.00 0.00 173.24 174.38 1hf6 s LEU 264 N -2.80 4.45 0.17 2.42 2.96 0.07 -1.20 118.68 124.76 1hf6 s LEU 264 Ca 0.06 -2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 51.77 1hf6 s LEU 264 Cb -0.03 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.24 1hf6 s LEU 264 CO -0.04 -1.18 0.55 0.28 -1.32 0.00 0.00 176.35 174.65 1hf6 s THR 265 N 3.42 0.02 -1.77 3.68 -1.32 -1.26 -3.99 115.64 114.42 1hf6 s THR 265 Ca 0.40 -0.37 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 1hf6 s THR 265 Cb -0.02 -1.25 0.63 0.00 -1.51 0.00 0.00 72.50 70.36 1hf6 s THR 265 CO -0.07 -0.09 1.53 0.00 -2.21 0.00 0.00 174.62 173.78 1hf6 n HIS 266 N -0.35 1.07 -1.60 9.09 1.44 -1.26 -1.64 115.22 121.96 1hf6 n HIS 266 Ca -0.14 -0.49 -0.41 0.00 -2.01 0.00 0.00 57.72 54.67 1hf6 n HIS 266 Cb 0.64 -0.07 0.01 0.00 0.12 0.00 0.00 29.99 30.69 1hf6 n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1hf6 n LYS 267 N 1.40 1.28 -1.68 -1.40 4.81 -1.26 -4.11 118.16 117.21 1hf6 n LYS 267 Ca 0.24 0.46 -0.42 0.00 -0.87 0.00 0.00 58.31 57.72 1hf6 n LYS 267 Cb 0.66 -2.03 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 1hf6 n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1hf6 n ASP 268 N 0.43 4.72 -4.05 3.14 2.03 -1.26 -4.66 116.55 116.90 1hf6 n ASP 268 Ca 0.10 -2.81 -0.11 0.00 0.52 0.00 0.00 54.79 52.50 1hf6 n ASP 268 Cb 0.40 -1.64 -0.11 0.00 -0.72 0.00 0.00 41.12 39.05 1hf6 n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1hf6 s GLU 269 N 2.93 0.51 0.43 -0.67 -1.05 -1.26 -5.07 118.70 114.52 1hf6 s GLU 269 Ca 0.51 -0.85 0.13 0.00 -0.15 0.00 0.00 54.97 54.61 1hf6 s GLU 269 Cb 0.15 -0.09 0.95 0.00 -0.44 0.00 0.00 34.13 34.70 1hf6 s GLU 269 CO -0.08 -0.01 1.98 0.66 0.95 0.00 0.00 175.26 178.76 1hf6 h SER 270 N 4.17 0.07 1.20 0.83 4.64 -1.85 -1.86 113.55 120.74 1hf6 h SER 270 Ca -0.34 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1hf6 h SER 270 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1hf6 h SER 270 CO 0.47 0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 1hf6 n SER 271 N -4.33 0.78 -4.75 4.97 3.41 -0.80 -4.46 113.62 108.44 1hf6 n SER 271 Ca -0.02 0.61 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 1hf6 n SER 271 Cb 0.24 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 1hf6 n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hf6 s ALA 272 N -3.19 3.57 -0.49 7.33 0.00 -0.70 -2.58 121.76 125.70 1hf6 s ALA 272 Ca 0.08 1.29 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1hf6 s ALA 272 Cb 0.11 -3.52 0.40 0.00 0.00 0.00 0.00 23.12 20.11 1hf6 s ALA 272 CO 0.52 -0.70 1.57 0.00 0.00 0.00 0.00 175.76 177.15 1hf6 h ALA 273 N 4.43 0.93 -3.07 0.00 0.00 -1.15 -3.38 119.26 117.01 1hf6 h ALA 273 Ca -0.47 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.79 1hf6 h ALA 273 Cb 1.22 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 1hf6 h ALA 273 CO 0.73 0.00 -0.81 -0.51 0.00 0.00 0.00 179.25 178.66 1hf6 s LEU 274 N -5.68 2.50 0.43 0.00 1.43 -0.65 -1.44 118.68 115.27 1hf6 s LEU 274 Ca 0.07 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1hf6 s LEU 274 Cb 0.07 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1hf6 s LEU 274 CO 0.67 0.11 0.69 -0.04 0.23 0.00 0.00 176.35 178.01 1hf6 s MET 275 N -2.77 3.43 0.22 1.70 -1.94 0.02 -4.16 119.30 115.80 1hf6 s MET 275 Ca 0.22 -0.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.80 1hf6 s MET 275 Cb -0.08 -2.50 -0.10 0.00 2.01 0.00 0.00 34.83 34.16 1hf6 s MET 275 CO 0.11 -0.10 1.48 -2.14 -0.01 0.00 0.00 175.02 174.35 1hf6 s PRO 276 N -4.57 4.25 0.00 2.03 0.02 -1.26 -1.61 135.00 133.86 1hf6 s PRO 276 Ca 0.45 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1hf6 s PRO 276 Cb -0.10 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1hf6 s PRO 276 CO 0.41 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 1hf6 n GLY 277 N 2.70 3.21 3.70 0.52 0.00 -1.26 -5.04 105.19 109.02 1hf6 n GLY 277 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1hf6 n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf6 n ALA 278 N -1.54 2.17 -2.10 4.61 0.00 -0.63 -4.92 120.51 118.09 1hf6 n ALA 278 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1hf6 n ALA 278 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 1hf6 n ALA 278 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hf6 s ASN 279 N 0.91 6.79 0.00 0.00 3.84 -1.26 -4.89 114.94 120.33 1hf6 s ASN 279 Ca 0.74 2.40 0.12 0.00 0.21 0.00 0.00 52.86 56.33 1hf6 s ASN 279 Cb -0.57 -2.59 0.54 0.00 -0.55 0.00 0.00 41.25 38.08 1hf6 s ASN 279 CO 0.38 -0.66 1.35 -0.81 -2.79 0.00 0.00 177.10 174.57 1hf6 n PRO 280 N 3.68 0.06 -0.40 0.43 -0.04 -1.26 -2.06 135.00 135.41 1hf6 n PRO 280 Ca 0.11 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 1hf6 n PRO 280 Cb 0.42 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.64 1hf6 n PRO 280 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1hf6 n THR 281 N -1.43 1.53 -1.19 0.52 -2.24 -1.26 -4.44 114.28 105.77 1hf6 n THR 281 Ca 0.04 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1hf6 n THR 281 Cb 0.12 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1hf6 n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hf6 n GLY 282 N 0.64 -1.80 1.60 3.38 0.00 -0.88 -3.29 105.19 104.85 1hf6 n GLY 282 Ca 0.20 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1hf6 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf6 n GLY 283 N 0.00 0.58 3.76 -0.02 0.00 -1.26 -4.60 105.19 103.65 1hf6 n GLY 283 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1hf6 n GLY 283 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1hf6 s TRP 284 N -2.00 2.94 0.81 1.61 0.51 -1.26 -5.03 118.94 116.52 1hf6 s TRP 284 Ca 0.00 1.26 -0.12 0.00 -2.12 0.00 0.00 56.10 55.12 1hf6 s TRP 284 Cb 0.00 -3.79 0.08 0.00 -0.81 0.00 0.00 33.47 28.95 1hf6 s TRP 284 CO 0.00 -2.32 1.17 0.95 -0.51 0.00 0.00 176.95 176.25 1hf6 s THR 285 N -0.83 2.02 0.29 2.01 -4.23 -1.26 -4.95 115.64 108.69 1hf6 s THR 285 Ca 0.53 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1hf6 s THR 285 Cb -0.42 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.69 1hf6 s THR 285 CO 0.52 0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 176.46 1hf6 h GLU 286 N -1.05 1.10 0.00 3.99 4.22 -1.96 -1.31 114.58 119.57 1hf6 h GLU 286 Ca -0.46 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 58.90 1hf6 h GLU 286 Cb 1.32 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1hf6 h GLU 286 CO 0.64 0.73 -0.07 0.00 -2.18 0.00 0.00 179.01 178.13 1hf6 h ALA 287 N 1.47 1.09 -0.01 2.92 0.00 -2.01 -2.25 119.26 120.48 1hf6 h ALA 287 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1hf6 h ALA 287 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hf6 h ALA 287 CO -0.10 0.08 -0.18 0.39 0.00 0.00 0.00 179.25 179.44 1hf6 n GLU 288 N -3.30 0.72 -3.57 0.00 1.02 -0.50 -4.81 120.64 110.20 1hf6 n GLU 288 Ca -0.01 -0.34 -0.36 0.00 -0.02 0.00 0.00 57.16 56.43 1hf6 n GLU 288 Cb 0.25 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1hf6 n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hf6 s LEU 289 N -2.51 4.41 0.88 -4.62 1.43 -0.85 -0.80 118.68 116.63 1hf6 s LEU 289 Ca 0.26 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 1hf6 s LEU 289 Cb 0.20 -2.73 0.13 0.00 0.03 0.00 0.00 46.19 43.81 1hf6 s LEU 289 CO 0.50 0.26 1.20 -0.94 0.23 0.00 0.00 176.35 177.60 1hf6 s SER 290 N -1.41 3.83 0.30 2.29 1.04 -0.52 -4.68 113.70 114.55 1hf6 s SER 290 Ca 0.27 0.71 0.02 0.00 0.48 0.00 0.00 55.95 57.44 1hf6 s SER 290 Cb -0.15 -1.11 0.59 0.00 0.10 0.00 0.00 66.02 65.45 1hf6 s SER 290 CO 0.15 -2.32 1.86 -0.65 0.98 0.00 0.00 173.24 173.25 1hf6 h PRO 291 N -1.35 0.93 -0.12 4.02 0.11 -1.88 0.25 132.00 133.96 1hf6 h PRO 291 Ca -0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1hf6 h PRO 291 Cb 1.31 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hf6 h PRO 291 CO 0.58 0.61 0.02 1.03 -0.21 0.00 0.00 178.00 180.04 1hf6 h SER 292 N 0.96 0.18 -0.77 -2.05 0.87 -1.80 -2.91 113.55 108.03 1hf6 h SER 292 Ca 0.47 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1hf6 h SER 292 Cb 0.47 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1hf6 h SER 292 CO -0.23 0.38 0.30 1.23 -0.53 0.00 0.00 176.83 177.97 1hf6 h GLY 293 N -0.02 1.25 0.77 5.77 0.00 -1.48 -0.99 103.07 108.37 1hf6 h GLY 293 Ca 0.04 -0.69 0.05 0.00 0.00 0.00 0.00 47.33 46.73 1hf6 h GLY 293 CO 0.00 0.65 0.51 -0.84 0.00 0.00 0.00 176.54 176.86 1hf6 h THR 294 N 1.12 1.06 0.04 4.70 2.02 -0.96 -0.21 112.91 120.69 1hf6 h THR 294 Ca 0.26 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1hf6 h THR 294 Cb 0.23 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1hf6 h THR 294 CO -0.02 0.18 -0.02 0.15 0.37 0.00 0.00 175.52 176.17 1hf6 h PHE 295 N 0.96 -0.06 -0.47 3.16 3.57 -1.25 -1.74 116.94 121.11 1hf6 h PHE 295 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1hf6 h PHE 295 Cb 0.12 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1hf6 h PHE 295 CO -0.03 0.18 0.26 0.28 -2.23 0.00 0.00 178.31 176.76 1hf6 h VAL 296 N -0.28 1.17 -0.47 1.41 2.07 -0.98 -0.98 116.25 118.19 1hf6 h VAL 296 Ca -0.01 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1hf6 h VAL 296 Cb 0.26 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1hf6 h VAL 296 CO 0.01 0.18 0.17 -0.09 0.02 0.00 0.00 177.57 177.86 1hf6 h ARG 297 N 0.62 0.34 -0.70 1.57 2.43 -1.02 -1.05 114.38 116.57 1hf6 h ARG 297 Ca 0.17 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1hf6 h ARG 297 Cb 0.05 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1hf6 h ARG 297 CO -0.03 0.22 0.45 1.49 -1.51 0.00 0.00 179.97 180.59 1hf6 h GLU 298 N 0.35 0.86 -0.43 0.20 4.81 -0.74 -0.44 114.58 119.18 1hf6 h GLU 298 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1hf6 h GLU 298 Cb 0.21 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1hf6 h GLU 298 CO -0.22 0.57 0.25 0.87 -0.73 0.00 0.00 179.01 179.76 1hf6 h LYS 299 N 0.89 0.59 -0.25 1.92 1.79 -0.45 -1.11 116.57 119.93 1hf6 h LYS 299 Ca 0.28 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.53 1hf6 h LYS 299 Cb -0.01 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1hf6 h LYS 299 CO -0.09 0.44 -0.50 0.82 -1.08 0.00 0.00 179.45 179.04 1hf6 h ILE 300 N 0.57 1.30 -0.49 1.86 2.04 -0.90 -2.96 117.51 118.92 1hf6 h ILE 300 Ca 0.15 -1.70 -0.08 0.00 1.00 0.00 0.00 64.86 64.23 1hf6 h ILE 300 Cb 0.01 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1hf6 h ILE 300 CO -0.03 0.54 -0.01 0.03 0.00 0.00 0.00 178.15 178.68 1hf6 h ARG 301 N 0.55 0.82 0.00 2.37 3.08 -0.89 -2.62 114.38 117.68 1hf6 h ARG 301 Ca 0.02 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1hf6 h ARG 301 Cb 1.06 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1hf6 h ARG 301 CO 0.10 0.83 0.00 1.05 -1.07 0.00 0.00 179.97 180.88 1hf6 h GLU 302 N 0.76 0.00 0.00 0.04 4.11 -1.18 -3.50 114.58 114.81 1hf6 h GLU 302 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1hf6 h GLU 302 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1hf6 h GLU 302 CO 0.02 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.97