#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hf9 n ASP 12 N 0.00 4.39 -0.17 -5.58 10.43 -1.26 -4.63 116.55 119.74 2hf9 n ASP 12 Ca 0.00 -2.36 -0.02 0.00 2.57 0.00 0.00 54.79 54.98 2hf9 n ASP 12 Cb 0.00 -0.55 0.07 0.00 1.84 0.00 0.00 41.12 42.49 2hf9 n ASP 12 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2hf9 h ILE 13 N 3.88 0.79 0.00 0.53 1.08 -2.04 -2.66 117.51 119.08 2hf9 h ILE 13 Ca 0.00 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 64.24 2hf9 h ILE 13 Cb 1.32 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 2hf9 h ILE 13 CO 0.19 0.06 -0.54 -0.07 -0.69 0.00 0.00 178.15 177.10 2hf9 h LEU 14 N 0.33 0.00 -0.15 1.44 3.38 -1.94 -1.71 115.31 116.66 2hf9 h LEU 14 Ca 0.26 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.02 2hf9 h LEU 14 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2hf9 h LEU 14 CO -0.28 0.54 -0.72 0.11 0.09 0.00 0.00 178.44 178.18 2hf9 h LYS 15 N 0.00 0.75 -0.45 1.13 6.56 -1.84 -1.85 116.57 120.88 2hf9 h LYS 15 Ca -0.01 -0.61 -0.14 0.00 -1.06 0.00 0.00 60.65 58.84 2hf9 h LYS 15 Cb 1.11 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 2hf9 h LYS 15 CO 0.07 1.22 -0.26 0.00 -2.06 0.00 0.00 179.45 178.42 2hf9 h ALA 16 N 0.54 0.70 -0.47 3.86 0.00 -1.44 -2.84 119.26 119.61 2hf9 h ALA 16 Ca -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2hf9 h ALA 16 Cb 1.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2hf9 h ALA 16 CO 0.15 0.67 0.27 -0.97 0.00 0.00 0.00 179.25 179.37 2hf9 h ASN 17 N 0.81 0.58 -0.78 0.00 -1.24 -1.31 -2.68 115.58 110.96 2hf9 h ASN 17 Ca 0.10 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2hf9 h ASN 17 Cb 0.83 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 2hf9 h ASN 17 CO 0.07 0.49 0.50 0.50 -1.29 0.00 0.00 177.43 177.70 2hf9 h LYS 18 N 0.63 1.04 -0.54 6.67 1.63 -1.30 0.17 116.57 124.87 2hf9 h LYS 18 Ca 0.17 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2hf9 h LYS 18 Cb 0.03 -0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 31.38 2hf9 h LYS 18 CO -0.03 0.71 0.27 0.00 -3.45 0.00 0.00 179.45 176.96 2hf9 h ARG 19 N 1.06 0.51 -0.14 1.90 3.08 -1.41 -1.07 114.38 118.32 2hf9 h ARG 19 Ca 0.28 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.15 2hf9 h ARG 19 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2hf9 h ARG 19 CO -0.06 0.34 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.54 2hf9 h LEU 20 N 0.53 0.51 -0.55 3.04 3.38 -1.04 -2.34 115.31 118.83 2hf9 h LEU 20 Ca 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2hf9 h LEU 20 Cb 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2hf9 h LEU 20 CO -0.17 0.97 0.29 0.00 0.09 0.00 0.00 178.44 179.62 2hf9 h ALA 21 N 1.03 0.71 -0.49 1.53 0.00 -0.39 -0.04 119.26 121.61 2hf9 h ALA 21 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2hf9 h ALA 21 Cb 1.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2hf9 h ALA 21 CO 0.10 0.25 -0.02 -0.44 0.00 0.00 0.00 179.25 179.14 2hf9 h ASP 22 N 0.74 0.80 -0.60 0.00 3.32 -1.10 -0.94 116.42 118.65 2hf9 h ASP 22 Ca 0.19 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2hf9 h ASP 22 Cb 0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2hf9 h ASP 22 CO -0.03 0.88 0.04 0.11 -1.72 0.00 0.00 179.24 178.52 2hf9 h LYS 23 N 0.77 1.03 -0.24 3.56 1.57 -1.20 -1.34 116.57 120.71 2hf9 h LYS 23 Ca 0.14 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2hf9 h LYS 23 Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2hf9 h LYS 23 CO 0.02 0.99 0.14 -0.91 -0.57 0.00 0.00 179.45 179.13 2hf9 h ASN 24 N 0.93 0.23 -0.61 0.86 2.35 -0.69 -1.06 115.58 117.58 2hf9 h ASN 24 Ca 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2hf9 h ASN 24 Cb 0.51 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2hf9 h ASN 24 CO 0.02 0.17 0.36 0.03 -1.65 0.00 0.00 177.43 176.36 2hf9 h ARG 25 N 0.29 0.84 -0.54 0.81 3.08 -1.04 -0.53 114.38 117.30 2hf9 h ARG 25 Ca 0.09 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2hf9 h ARG 25 Cb -0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2hf9 h ARG 25 CO -0.04 0.62 0.32 -0.22 -1.07 0.00 0.00 179.97 179.58 2hf9 h LYS 26 N 0.83 0.73 -0.54 0.04 1.63 -1.14 0.63 116.57 118.75 2hf9 h LYS 26 Ca 0.22 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2hf9 h LYS 26 Cb 0.01 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 2hf9 h LYS 26 CO -0.04 0.53 0.31 1.25 -3.45 0.00 0.00 179.45 178.05 2hf9 h LEU 27 N 0.72 0.67 -0.28 5.20 5.85 -0.85 -0.77 115.31 125.86 2hf9 h LEU 27 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2hf9 h LEU 27 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2hf9 h LEU 27 CO -0.04 0.56 0.11 -0.07 -0.34 0.00 0.00 178.44 178.66 2hf9 h LEU 28 N 0.73 0.38 -1.26 2.25 3.38 -0.86 -2.82 115.31 117.12 2hf9 h LEU 28 Ca 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hf9 h LEU 28 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2hf9 h LEU 28 CO -0.03 0.45 0.44 0.78 0.09 0.00 0.00 178.44 180.17 2hf9 h ASN 29 N 0.29 0.82 -0.62 -0.43 2.35 -0.69 0.87 115.58 118.18 2hf9 h ASN 29 Ca 0.09 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2hf9 h ASN 29 Cb 0.19 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2hf9 h ASN 29 CO -0.01 0.62 0.41 0.50 -1.65 0.00 0.00 177.43 177.30 2hf9 h LYS 30 N 0.96 0.82 -0.55 0.81 3.64 -0.99 -2.59 116.57 118.67 2hf9 h LYS 30 Ca 0.26 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2hf9 h LYS 30 Cb -0.07 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2hf9 h LYS 30 CO -0.05 0.54 0.00 0.72 -2.27 0.00 0.00 179.45 178.39 2hf9 n HIS 31 N -4.44 0.73 -3.29 1.91 8.25 -0.79 -4.98 115.22 112.62 2hf9 n HIS 31 Ca 0.06 -0.44 -0.17 0.00 -0.26 0.00 0.00 57.72 56.91 2hf9 n HIS 31 Cb 0.04 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.20 2hf9 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hf9 n GLY 32 N 1.29 -0.15 3.57 -1.41 0.00 -0.19 -4.66 105.19 103.64 2hf9 n GLY 32 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2hf9 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hf9 s VAL 33 N -3.24 4.20 -0.24 1.61 1.01 0.13 -4.65 120.40 119.23 2hf9 s VAL 33 Ca 0.40 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2hf9 s VAL 33 Cb -0.18 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2hf9 s VAL 33 CO 0.54 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 175.53 2hf9 s VAL 34 N 0.10 4.45 -0.04 2.92 1.01 -0.35 -4.27 120.40 124.23 2hf9 s VAL 34 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2hf9 s VAL 34 Cb -0.13 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2hf9 s VAL 34 CO 0.02 0.36 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 2hf9 s ALA 35 N 1.36 3.04 -0.08 5.51 0.00 -1.26 -1.00 121.76 129.33 2hf9 s ALA 35 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2hf9 s ALA 35 Cb -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.77 2hf9 s ALA 35 CO 0.04 0.59 -0.14 -0.06 0.00 0.00 0.00 175.76 176.19 2hf9 s PHE 36 N -0.90 1.65 -0.40 0.00 0.40 0.44 -1.17 117.98 118.00 2hf9 s PHE 36 Ca 0.15 -0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 55.65 2hf9 s PHE 36 Cb -0.11 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.23 2hf9 s PHE 36 CO 0.04 -0.33 0.43 0.34 0.70 0.00 0.00 175.22 176.40 2hf9 s ASP 37 N 0.73 6.20 -0.49 1.36 2.15 -0.19 -0.59 116.67 125.84 2hf9 s ASP 37 Ca -0.13 -0.55 -0.18 0.00 0.43 0.00 0.00 52.55 52.12 2hf9 s ASP 37 Cb -0.16 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 2hf9 s ASP 37 CO 0.03 -0.53 0.56 -0.36 -0.17 0.00 0.00 175.17 174.70 2hf9 s PHE 38 N 2.14 3.10 0.32 -5.34 0.40 0.62 0.09 117.98 119.32 2hf9 s PHE 38 Ca 0.13 -0.59 0.08 0.00 -0.60 0.00 0.00 56.93 55.94 2hf9 s PHE 38 Cb -0.17 -3.41 -0.03 0.00 0.51 0.00 0.00 43.02 39.93 2hf9 s PHE 38 CO 0.13 -0.95 0.25 -1.64 0.70 0.00 0.00 175.22 173.71 2hf9 s MET 39 N 2.39 2.67 0.00 0.44 -1.94 0.87 -0.95 119.30 122.78 2hf9 s MET 39 Ca 0.13 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 2hf9 s MET 39 Cb -0.20 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.22 2hf9 s MET 39 CO 0.11 0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 2hf9 n GLY 40 N -1.30 -2.09 3.82 -0.03 0.00 -1.26 -0.31 105.19 104.01 2hf9 n GLY 40 Ca -0.03 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2hf9 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hf9 s ALA 41 N -1.90 1.65 -0.03 4.61 0.00 -1.19 -0.43 121.76 124.48 2hf9 s ALA 41 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 2hf9 s ALA 41 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2hf9 s ALA 41 CO 0.00 -2.88 1.48 0.42 0.00 0.00 0.00 175.76 174.78 2hf9 s ILE 42 N -3.60 3.67 -0.93 0.00 -1.09 -1.26 -3.22 121.20 114.77 2hf9 s ILE 42 Ca 0.74 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.13 2hf9 s ILE 42 Cb -0.05 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2hf9 s ILE 42 CO 0.54 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2hf9 n GLY 43 N 3.82 1.04 0.24 6.18 0.00 -1.26 -4.92 105.19 110.29 2hf9 n GLY 43 Ca 0.15 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.60 2hf9 n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hf9 h SER 44 N 0.00 0.00 0.00 1.61 0.02 -1.85 -3.46 113.55 109.87 2hf9 h SER 44 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2hf9 h SER 44 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2hf9 h SER 44 CO 0.26 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 2hf9 n GLY 45 N -1.03 1.46 0.09 -3.77 0.00 -1.26 -4.58 105.19 96.09 2hf9 n GLY 45 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2hf9 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hf9 h LYS 46 N 0.00 0.06 -0.20 1.61 1.57 -1.93 -0.55 116.57 117.14 2hf9 h LYS 46 Ca 0.00 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2hf9 h LYS 46 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2hf9 h LYS 46 CO 0.00 0.04 -0.02 1.15 -0.57 0.00 0.00 179.45 180.05 2hf9 h THR 47 N 0.06 1.27 -1.00 -0.16 2.02 -1.99 -0.58 112.91 112.53 2hf9 h THR 47 Ca 0.07 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.36 2hf9 h THR 47 Cb 0.09 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 2hf9 h THR 47 CO -0.12 0.28 0.66 0.25 0.37 0.00 0.00 175.52 176.96 2hf9 h LEU 48 N 0.10 1.10 -0.23 2.58 5.85 -1.97 0.19 115.31 122.93 2hf9 h LEU 48 Ca 0.05 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2hf9 h LEU 48 Cb 0.43 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2hf9 h LEU 48 CO 0.01 0.76 0.11 0.25 -0.34 0.00 0.00 178.44 179.24 2hf9 h LEU 49 N 1.28 0.31 -0.58 2.25 5.85 -0.91 -1.32 115.31 122.19 2hf9 h LEU 49 Ca 0.39 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2hf9 h LEU 49 Cb -0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2hf9 h LEU 49 CO -0.12 0.35 0.33 0.40 -0.34 0.00 0.00 178.44 179.06 2hf9 h ILE 50 N 0.25 1.18 -0.20 4.05 2.04 -0.48 0.35 117.51 124.70 2hf9 h ILE 50 Ca 0.08 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.55 2hf9 h ILE 50 Cb 0.12 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2hf9 h ILE 50 CO -0.01 0.19 -0.04 -0.33 0.00 0.00 0.00 178.15 177.96 2hf9 h GLU 51 N 0.78 0.01 -0.75 2.37 5.08 -0.54 0.85 114.58 122.38 2hf9 h GLU 51 Ca 0.20 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2hf9 h GLU 51 Cb 0.02 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2hf9 h GLU 51 CO -0.04 0.01 0.34 0.87 -1.00 0.00 0.00 179.01 179.19 2hf9 h LYS 52 N 0.01 1.10 -0.43 2.33 1.79 -0.94 -1.84 116.57 118.60 2hf9 h LYS 52 Ca 0.10 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2hf9 h LYS 52 Cb 0.14 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2hf9 h LYS 52 CO -0.20 0.88 0.20 -0.07 -1.08 0.00 0.00 179.45 179.17 2hf9 h LEU 53 N 1.07 0.57 0.17 2.94 3.38 -0.51 -2.21 115.31 120.72 2hf9 h LEU 53 Ca 0.26 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2hf9 h LEU 53 Cb 0.16 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2hf9 h LEU 53 CO -0.03 0.55 -0.34 0.40 0.09 0.00 0.00 178.44 179.11 2hf9 h ILE 54 N 0.55 0.29 -1.00 1.22 2.04 -0.66 -1.07 117.51 118.88 2hf9 h ILE 54 Ca 0.15 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.20 2hf9 h ILE 54 Cb 0.14 0.29 -0.11 0.00 -0.74 0.00 0.00 36.82 36.40 2hf9 h ILE 54 CO -0.02 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.19 2hf9 h ASP 55 N -0.60 0.79 0.18 1.72 3.32 -1.24 -0.96 116.42 119.63 2hf9 h ASP 55 Ca 0.02 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2hf9 h ASP 55 Cb 0.61 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2hf9 h ASP 55 CO -0.17 0.28 -0.65 0.59 -1.72 0.00 0.00 179.24 177.57 2hf9 n ASN 56 N -4.77 1.06 -0.00 6.45 3.02 -0.84 -4.25 115.26 115.93 2hf9 n ASN 56 Ca 0.23 -0.87 0.01 0.00 -0.03 0.00 0.00 54.58 53.93 2hf9 n ASN 56 Cb 0.57 0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 40.29 2hf9 n ASN 56 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2hf9 n LEU 57 N -1.09 0.09 0.26 3.41 4.77 -0.43 -4.73 117.00 119.29 2hf9 n LEU 57 Ca 0.07 -0.48 0.17 0.00 -0.03 0.00 0.00 56.01 55.74 2hf9 n LEU 57 Cb 0.36 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.23 2hf9 n LEU 57 CO 0.35 0.02 1.01 0.07 -1.33 0.00 0.00 177.39 177.51 2hf9 h LYS 58 N 0.00 0.00 0.00 3.23 2.10 -1.35 0.12 116.57 120.67 2hf9 h LYS 58 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2hf9 h LYS 58 Cb 0.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2hf9 h LYS 58 CO 0.00 0.00 -0.24 0.38 -2.00 0.00 0.00 179.45 177.59 2hf9 h ASP 59 N 0.00 0.00 0.00 7.07 2.03 -1.85 -3.33 116.42 120.34 2hf9 h ASP 59 Ca 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 2hf9 h ASP 59 Cb 0.32 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.78 2hf9 h ASP 59 CO 0.00 0.24 -1.82 1.17 -1.03 0.00 0.00 179.24 177.80 2hf9 n LYS 60 N -3.30 1.78 -4.28 4.15 4.81 -0.54 -5.03 118.16 115.75 2hf9 n LYS 60 Ca 0.01 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.27 2hf9 n LYS 60 Cb 0.50 -1.30 -0.13 0.00 0.02 0.00 0.00 35.03 34.12 2hf9 n LYS 60 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hf9 s TYR 61 N -2.29 1.18 -0.19 5.64 1.51 0.30 -5.11 117.35 118.41 2hf9 s TYR 61 Ca -0.08 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.36 2hf9 s TYR 61 Cb 0.04 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 2hf9 s TYR 61 CO 0.46 0.04 0.73 0.15 -1.11 0.00 0.00 175.55 175.82 2hf9 s LYS 62 N -1.33 4.25 -0.08 -0.62 1.02 -1.26 -4.19 119.74 117.52 2hf9 s LYS 62 Ca -0.00 0.81 0.04 0.00 0.02 0.00 0.00 55.97 56.84 2hf9 s LYS 62 Cb -0.09 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 2hf9 s LYS 62 CO 0.02 -0.29 -0.21 0.42 -0.92 0.00 0.00 175.35 174.37 2hf9 s ILE 63 N 2.05 2.41 0.20 2.17 1.01 -1.26 0.21 121.20 127.99 2hf9 s ILE 63 Ca 0.33 -0.92 0.11 0.00 0.00 0.00 0.00 60.65 60.17 2hf9 s ILE 63 Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2hf9 s ILE 63 CO 0.11 0.56 -0.21 0.00 0.00 0.00 0.00 174.94 175.41 2hf9 s ALA 64 N -0.03 2.64 0.09 9.38 0.00 -0.25 -3.08 121.76 130.51 2hf9 s ALA 64 Ca -0.06 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.33 2hf9 s ALA 64 Cb -0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2hf9 s ALA 64 CO 0.05 0.42 -0.16 0.00 0.00 0.00 0.00 175.76 176.07 2hf9 s ILE 66 N -1.39 2.21 -0.32 0.00 1.01 -0.32 -0.82 121.20 121.57 2hf9 s ILE 66 Ca 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2hf9 s ILE 66 Cb -0.09 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.51 2hf9 s ILE 66 CO 0.03 0.53 0.04 0.00 0.00 0.00 0.00 174.94 175.54 2hf9 s ALA 67 N 1.24 2.90 -0.18 9.38 0.00 -0.65 -0.17 121.76 134.28 2hf9 s ALA 67 Ca 0.03 -1.87 -0.06 0.00 0.00 0.00 0.00 51.96 50.07 2hf9 s ALA 67 Cb -0.13 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2hf9 s ALA 67 CO -0.10 -1.36 0.02 0.20 0.00 0.00 0.00 175.76 174.52 2hf9 s GLY 68 N 1.35 1.80 0.18 0.00 0.00 -0.68 -0.59 107.32 109.38 2hf9 s GLY 68 Ca -0.03 -0.85 -0.24 0.00 0.00 0.00 0.00 44.72 43.60 2hf9 s GLY 68 CO -0.01 0.09 0.94 -0.35 0.00 0.00 0.00 173.10 173.77 2hf9 s ASP 69 N 0.60 -0.15 0.16 1.64 2.15 -0.76 -3.88 116.67 116.42 2hf9 s ASP 69 Ca 0.01 -0.49 -0.22 0.00 0.43 0.00 0.00 52.55 52.27 2hf9 s ASP 69 Cb -0.14 0.53 0.05 0.00 -0.30 0.00 0.00 42.92 43.06 2hf9 s ASP 69 CO 0.02 -0.99 1.62 0.58 -0.17 0.00 0.00 175.17 176.23 2hf9 h VAL 70 N 2.00 0.35 -3.53 1.11 2.07 -1.85 -0.83 116.25 115.57 2hf9 h VAL 70 Ca -0.24 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.60 2hf9 h VAL 70 Cb 1.23 0.35 -0.37 0.00 -1.52 0.00 0.00 31.29 30.98 2hf9 h VAL 70 CO 0.27 0.00 -0.56 -0.63 0.02 0.00 0.00 177.57 176.67 2hf9 s ILE 71 N -6.07 3.04 0.10 4.57 1.01 -1.26 -4.21 121.20 118.38 2hf9 s ILE 71 Ca -0.15 -2.54 0.34 0.00 0.00 0.00 0.00 60.65 58.30 2hf9 s ILE 71 Cb 0.13 -3.09 0.39 0.00 0.01 0.00 0.00 42.46 39.90 2hf9 s ILE 71 CO 0.68 -0.73 1.98 0.00 0.00 0.00 0.00 174.94 176.87 2hf9 h ALA 72 N 7.46 1.00 -0.72 9.38 0.00 -1.80 -3.29 119.26 131.29 2hf9 h ALA 72 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hf9 h ALA 72 Cb 0.99 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2hf9 h ALA 72 CO 0.66 0.00 0.46 1.57 0.00 0.00 0.00 179.25 181.94 2hf9 h LYS 73 N 0.00 0.96 -0.26 0.00 2.10 -1.92 -1.84 116.57 115.61 2hf9 h LYS 73 Ca 0.00 -0.07 0.06 0.00 -2.00 0.00 0.00 60.65 58.64 2hf9 h LYS 73 Cb 0.51 -0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 31.57 2hf9 h LYS 73 CO 0.00 0.66 -0.12 0.74 -2.00 0.00 0.00 179.45 178.73 2hf9 h PHE 74 N 0.99 -0.28 0.06 0.07 -1.00 -2.01 0.71 116.94 115.49 2hf9 h PHE 74 Ca 0.26 0.03 -0.27 0.00 2.81 0.00 0.00 57.97 60.81 2hf9 h PHE 74 Cb -0.08 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 2hf9 h PHE 74 CO 0.00 -0.18 -1.33 -0.44 -1.61 0.00 0.00 178.31 174.75 2hf9 h ASP 75 N -0.08 0.20 -0.21 2.17 3.32 -1.80 -3.06 116.42 116.96 2hf9 h ASP 75 Ca 0.14 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.96 2hf9 h ASP 75 Cb 0.28 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2hf9 h ASP 75 CO -0.31 1.21 0.03 0.00 -1.72 0.00 0.00 179.24 178.45 2hf9 h ALA 76 N 0.76 0.20 -0.88 3.45 0.00 -1.14 -1.35 119.26 120.31 2hf9 h ALA 76 Ca -0.15 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hf9 h ALA 76 Cb 1.92 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 2hf9 h ALA 76 CO 0.15 -0.40 0.53 0.93 0.00 0.00 0.00 179.25 180.46 2hf9 h GLU 77 N 0.11 1.19 -0.31 0.00 5.08 -0.94 -0.32 114.58 119.39 2hf9 h GLU 77 Ca 0.09 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hf9 h GLU 77 Cb 0.10 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2hf9 h GLU 77 CO -0.13 0.83 0.17 0.00 -1.00 0.00 0.00 179.01 178.88 2hf9 h ARG 78 N 1.21 0.44 -0.17 2.33 3.08 -1.39 -2.82 114.38 117.06 2hf9 h ARG 78 Ca 0.32 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 2hf9 h ARG 78 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2hf9 h ARG 78 CO -0.06 0.37 -0.36 0.52 -1.07 0.00 0.00 179.97 179.36 2hf9 h MET 79 N 0.39 0.36 -0.73 0.04 2.86 -0.84 -3.17 114.93 113.85 2hf9 h MET 79 Ca 0.11 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2hf9 h MET 79 Cb 0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2hf9 h MET 79 CO -0.02 0.68 0.40 0.93 1.06 0.00 0.00 176.91 179.96 2hf9 h GLU 80 N 0.31 1.01 0.00 1.72 5.08 -0.94 -2.71 114.58 119.06 2hf9 h GLU 80 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2hf9 h GLU 80 Cb 0.79 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2hf9 h GLU 80 CO 0.06 0.76 0.00 0.36 -1.00 0.00 0.00 179.01 179.19 2hf9 n LYS 81 N -4.47 0.16 -0.02 2.33 2.85 -1.08 -1.92 118.16 116.02 2hf9 n LYS 81 Ca 0.06 0.40 0.13 0.00 -1.05 0.00 0.00 58.31 57.85 2hf9 n LYS 81 Cb 0.09 -1.81 0.45 0.00 -0.65 0.00 0.00 35.03 33.10 2hf9 n LYS 81 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2hf9 n HIS 82 N -2.12 0.05 -0.70 5.58 8.25 -1.02 -4.95 115.22 120.30 2hf9 n HIS 82 Ca 0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2hf9 n HIS 82 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2hf9 n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hf9 n GLY 83 N 1.19 0.96 3.81 -1.41 0.00 -0.81 -4.70 105.19 104.24 2hf9 n GLY 83 Ca 0.18 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2hf9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hf9 s ALA 84 N -2.00 3.66 0.00 4.61 0.00 -1.21 -4.87 121.76 121.95 2hf9 s ALA 84 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2hf9 s ALA 84 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2hf9 s ALA 84 CO 0.00 0.76 1.01 0.21 0.00 0.00 0.00 175.76 177.74 2hf9 s LYS 85 N -2.38 4.54 -0.07 0.00 2.20 -1.18 -4.43 119.74 118.43 2hf9 s LYS 85 Ca 0.30 1.46 0.04 0.00 -0.36 0.00 0.00 55.97 57.41 2hf9 s LYS 85 Cb -0.12 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2hf9 s LYS 85 CO 0.23 -0.08 -0.18 0.08 -0.36 0.00 0.00 175.35 175.03 2hf9 s VAL 86 N 1.05 1.59 -0.32 4.02 1.01 -1.26 0.13 120.40 126.63 2hf9 s VAL 86 Ca 0.53 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2hf9 s VAL 86 Cb -0.22 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2hf9 s VAL 86 CO 0.28 0.45 0.14 -0.69 0.00 0.00 0.00 175.10 175.28 2hf9 s VAL 87 N 0.37 4.32 0.28 2.92 1.01 -0.00 -4.98 120.40 124.32 2hf9 s VAL 87 Ca -0.13 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 2hf9 s VAL 87 Cb -0.16 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 2hf9 s VAL 87 CO 0.05 -0.01 0.83 -2.16 0.00 0.00 0.00 175.10 173.81 2hf9 s PRO 88 N 1.55 4.37 -0.23 2.72 0.04 -1.26 -1.63 135.00 140.55 2hf9 s PRO 88 Ca 0.03 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 2hf9 s PRO 88 Cb -0.18 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.65 2hf9 s PRO 88 CO 0.05 0.31 -0.00 -0.51 0.04 0.00 0.00 177.00 176.88 2hf9 s LEU 89 N -2.14 2.06 -0.37 -3.56 1.43 0.25 -4.91 118.68 111.43 2hf9 s LEU 89 Ca 0.48 -1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 2hf9 s LEU 89 Cb -0.17 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.13 2hf9 s LEU 89 CO 0.21 -0.28 1.28 0.20 0.23 0.00 0.00 176.35 177.99 2hf9 s ASN 90 N 1.58 6.59 0.00 2.29 0.01 -1.26 -1.83 114.94 122.32 2hf9 s ASN 90 Ca -0.02 0.93 0.25 0.00 -0.71 0.00 0.00 52.86 53.31 2hf9 s ASN 90 Cb -0.18 -2.54 0.65 0.00 0.41 0.00 0.00 41.25 39.58 2hf9 s ASN 90 CO -0.09 -1.20 1.51 0.35 -1.51 0.00 0.00 177.10 176.17 2hf9 n THR 91 N 6.56 0.11 -0.06 1.60 -2.24 -0.32 -4.96 114.28 114.97 2hf9 n THR 91 Ca 0.14 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2hf9 n THR 91 Cb 0.48 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2hf9 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hf9 n GLY 92 N 1.27 3.34 0.70 3.38 0.00 -1.26 -2.01 105.19 110.61 2hf9 n GLY 92 Ca 0.17 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2hf9 n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hf9 n LYS 93 N 14.00 1.95 -2.14 1.61 5.02 -1.26 -4.63 118.16 132.71 2hf9 n LYS 93 Ca 0.00 -1.40 -0.42 0.00 -2.02 0.00 0.00 58.31 54.47 2hf9 n LYS 93 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 2hf9 n LYS 93 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2hf9 s GLU 94 N -1.90 4.33 -0.15 1.97 2.56 -0.85 -4.92 118.70 119.74 2hf9 s GLU 94 Ca 0.34 2.13 0.10 0.00 0.00 0.00 0.00 54.97 57.54 2hf9 s GLU 94 Cb 0.20 -3.20 0.55 0.00 2.00 0.00 0.00 34.13 33.69 2hf9 s GLU 94 CO 0.31 -0.37 1.35 0.00 -0.56 0.00 0.00 175.26 175.98 2hf9 s HIS 96 N -2.13 -0.38 0.61 0.00 -3.43 -1.26 -4.11 115.29 104.59 2hf9 s HIS 96 Ca 0.37 0.51 -0.10 0.00 -0.80 0.00 0.00 55.06 55.03 2hf9 s HIS 96 Cb 0.27 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.87 2hf9 s HIS 96 CO 0.12 -0.43 1.01 -0.51 -2.00 0.00 0.00 174.74 172.93 2hf9 s LEU 97 N -1.61 3.24 0.28 5.38 1.43 -1.26 -4.93 118.68 121.20 2hf9 s LEU 97 Ca 0.00 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 2hf9 s LEU 97 Cb -0.01 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 2hf9 s LEU 97 CO -0.02 -0.89 0.06 1.51 0.23 0.00 0.00 176.35 177.25 2hf9 s ASP 98 N -4.19 1.79 0.41 2.29 1.47 -1.26 -4.88 116.67 112.30 2hf9 s ASP 98 Ca 0.55 -1.35 0.09 0.00 1.18 0.00 0.00 52.55 53.01 2hf9 s ASP 98 Cb -0.11 0.03 0.87 0.00 -0.34 0.00 0.00 42.92 43.37 2hf9 s ASP 98 CO 0.53 -0.64 2.00 0.00 0.68 0.00 0.00 175.17 177.74 2hf9 h ALA 99 N 2.29 1.64 0.46 2.11 0.00 -1.79 -2.35 119.26 121.62 2hf9 h ALA 99 Ca -0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2hf9 h ALA 99 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2hf9 h ALA 99 CO 0.65 0.28 -0.22 1.25 0.00 0.00 0.00 179.25 181.20 2hf9 h HIS 100 N 0.35 -0.58 -0.70 0.00 -0.00 -1.90 0.43 115.15 112.75 2hf9 h HIS 100 Ca 0.09 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2hf9 h HIS 100 Cb 0.14 0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 2hf9 h HIS 100 CO 0.00 -0.34 0.21 -0.07 -0.00 0.00 0.00 177.93 177.73 2hf9 h LEU 101 N -0.66 1.03 -0.64 0.26 4.07 -1.96 -2.52 115.31 114.89 2hf9 h LEU 101 Ca -0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 2hf9 h LEU 101 Cb 0.49 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 2hf9 h LEU 101 CO 0.10 0.97 0.30 0.58 -1.08 0.00 0.00 178.44 179.32 2hf9 h VAL 102 N 1.04 1.22 -0.57 1.22 2.07 -1.33 -1.24 116.25 118.65 2hf9 h VAL 102 Ca 0.22 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 67.21 2hf9 h VAL 102 Cb 0.32 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 2hf9 h VAL 102 CO -0.01 0.26 0.14 1.23 0.02 0.00 0.00 177.57 179.22 2hf9 h GLY 103 N 0.89 0.74 1.67 2.17 0.00 0.20 -0.99 103.07 107.75 2hf9 h GLY 103 Ca 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 2hf9 h GLY 103 CO -0.03 -0.08 -0.50 0.45 0.00 0.00 0.00 176.54 176.38 2hf9 h HIS 104 N 0.28 0.43 -0.88 5.60 -0.00 -1.24 -2.74 115.15 116.61 2hf9 h HIS 104 Ca 0.29 -0.14 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 2hf9 h HIS 104 Cb 0.41 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.69 2hf9 h HIS 104 CO -0.22 0.78 0.58 0.00 -0.00 0.00 0.00 177.93 179.07 2hf9 h ALA 105 N 1.19 1.40 -0.04 2.45 0.00 -0.54 -2.23 119.26 121.49 2hf9 h ALA 105 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hf9 h ALA 105 Cb 0.98 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2hf9 h ALA 105 CO 0.08 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 179.85 2hf9 h LEU 106 N 1.16 0.00 -1.68 0.00 3.38 -0.89 -1.29 115.31 115.99 2hf9 h LEU 106 Ca 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2hf9 h LEU 106 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2hf9 h LEU 106 CO -0.08 0.00 -0.13 -0.33 0.09 0.00 0.00 178.44 177.99 2hf9 h GLU 107 N 0.00 0.00 -0.12 1.13 5.08 -1.38 -2.54 114.58 116.74 2hf9 h GLU 107 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2hf9 h GLU 107 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2hf9 h GLU 107 CO -0.00 0.13 0.00 -0.25 -1.00 0.00 0.00 179.01 177.89 2hf9 n ASP 108 N -3.46 1.45 -4.51 1.42 8.00 -0.49 -4.87 116.55 114.09 2hf9 n ASP 108 Ca -0.01 -1.63 -0.32 0.00 0.71 0.00 0.00 54.79 53.54 2hf9 n ASP 108 Cb 0.30 -0.08 -0.12 0.00 -0.02 0.00 0.00 41.12 41.20 2hf9 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hf9 s LEU 109 N -1.65 2.85 -0.80 0.64 1.43 -0.96 -5.02 118.68 115.18 2hf9 s LEU 109 Ca 0.33 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.97 2hf9 s LEU 109 Cb 0.18 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 44.85 2hf9 s LEU 109 CO 0.27 0.29 1.06 0.21 0.23 0.00 0.00 176.35 178.42 2hf9 s ASN 110 N -1.21 6.39 0.26 2.29 2.47 -1.26 -4.90 114.94 118.98 2hf9 s ASN 110 Ca 0.14 -1.47 0.24 0.00 0.42 0.00 0.00 52.86 52.19 2hf9 s ASN 110 Cb -0.11 -2.42 0.98 0.00 -1.45 0.00 0.00 41.25 38.25 2hf9 s ASN 110 CO 0.05 -1.29 1.71 0.18 -3.72 0.00 0.00 177.10 174.03 2hf9 n LEU 111 N 7.30 0.67 -0.16 3.21 4.77 -1.26 -1.22 117.00 130.31 2hf9 n LEU 111 Ca 0.10 0.67 0.15 0.00 -0.03 0.00 0.00 56.01 56.90 2hf9 n LEU 111 Cb 0.47 -0.58 0.69 0.00 -2.33 0.00 0.00 43.42 41.68 2hf9 n LEU 111 CO 0.58 -0.56 0.94 0.47 -1.33 0.00 0.00 177.39 177.49 2hf9 n ASP 112 N -2.24 0.56 -0.22 -1.43 8.00 -1.26 -3.33 116.55 116.62 2hf9 n ASP 112 Ca 0.02 -0.90 0.09 0.00 0.71 0.00 0.00 54.79 54.71 2hf9 n ASP 112 Cb 0.23 -0.04 0.14 0.00 -0.02 0.00 0.00 41.12 41.43 2hf9 n ASP 112 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2hf9 n GLU 113 N -0.72 1.23 -4.43 -1.24 -0.58 -0.35 -5.02 120.64 109.52 2hf9 n GLU 113 Ca 0.18 -2.59 -0.20 0.00 -0.42 0.00 0.00 57.16 54.13 2hf9 n GLU 113 Cb 0.25 -1.43 -0.15 0.00 -0.57 0.00 0.00 31.44 29.53 2hf9 n GLU 113 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2hf9 s ILE 114 N -2.70 0.82 -0.15 -3.67 -1.09 -1.19 -4.77 121.20 108.45 2hf9 s ILE 114 Ca 0.31 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 2hf9 s ILE 114 Cb 0.28 -0.71 -0.10 0.00 -1.58 0.00 0.00 42.46 40.34 2hf9 s ILE 114 CO 0.01 0.25 -0.12 0.47 -1.23 0.00 0.00 174.94 174.32 2hf9 n ASP 115 N 3.10 2.79 -4.22 3.58 8.00 0.13 -4.56 116.55 125.38 2hf9 n ASP 115 Ca -0.16 -0.07 -0.28 0.00 0.71 0.00 0.00 54.79 54.98 2hf9 n ASP 115 Cb 0.55 -0.15 -0.16 0.00 -0.02 0.00 0.00 41.12 41.34 2hf9 n ASP 115 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hf9 s LEU 116 N -5.79 2.02 -0.17 0.64 1.43 -0.78 -1.21 118.68 114.81 2hf9 s LEU 116 Ca -0.19 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2hf9 s LEU 116 Cb 0.05 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.16 2hf9 s LEU 116 CO 0.35 0.23 -0.20 -0.22 0.23 0.00 0.00 176.35 176.75 2hf9 s LEU 117 N -0.30 2.10 -0.26 1.79 2.96 -0.17 -1.09 118.68 123.70 2hf9 s LEU 117 Ca 0.03 -0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2hf9 s LEU 117 Cb -0.10 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 2hf9 s LEU 117 CO 0.01 0.00 0.08 -0.36 -1.32 0.00 0.00 176.35 174.76 2hf9 s PHE 118 N 1.26 3.10 -0.26 5.38 2.99 -0.33 -0.42 117.98 129.70 2hf9 s PHE 118 Ca 0.04 -0.53 -0.07 0.00 0.00 0.00 0.00 56.93 56.37 2hf9 s PHE 118 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 43.02 40.63 2hf9 s PHE 118 CO -0.12 -0.41 0.06 0.42 -0.00 0.00 0.00 175.22 175.18 2hf9 s ILE 119 N 1.59 4.10 -0.47 0.64 1.01 0.25 -1.18 121.20 127.14 2hf9 s ILE 119 Ca 0.06 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 2hf9 s ILE 119 Cb -0.16 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.37 2hf9 s ILE 119 CO 0.03 0.26 0.72 -0.70 0.00 0.00 0.00 174.94 175.26 2hf9 s GLU 120 N 1.56 3.30 0.99 2.79 2.12 0.76 -0.27 118.70 129.95 2hf9 s GLU 120 Ca 0.05 -0.36 -0.13 0.00 0.36 0.00 0.00 54.97 54.89 2hf9 s GLU 120 Cb -0.16 -3.98 0.18 0.00 0.26 0.00 0.00 34.13 30.43 2hf9 s GLU 120 CO 0.02 -1.14 1.12 1.21 -0.54 0.00 0.00 175.26 175.93 2hf9 s ASN 121 N 2.26 2.73 0.48 -1.70 3.84 -0.12 -1.69 114.94 120.74 2hf9 s ASN 121 Ca 0.25 1.01 -0.22 0.00 0.21 0.00 0.00 52.86 54.11 2hf9 s ASN 121 Cb -0.14 -1.59 -0.07 0.00 -0.55 0.00 0.00 41.25 38.90 2hf9 s ASN 121 CO 0.19 -3.04 1.13 0.68 -2.79 0.00 0.00 177.10 173.26 2hf9 s VAL 122 N -3.11 3.28 -0.56 -5.21 -7.23 -1.25 -4.77 120.40 101.54 2hf9 s VAL 122 Ca 0.66 0.90 -0.27 0.00 -1.81 0.00 0.00 61.98 61.45 2hf9 s VAL 122 Cb -0.16 -3.42 -0.00 0.00 0.56 0.00 0.00 36.38 33.36 2hf9 s VAL 122 CO 0.56 -0.07 1.59 -0.83 -0.31 0.00 0.00 175.10 176.04 2hf9 s GLY 123 N -1.56 0.66 -0.29 2.32 0.00 -1.26 -4.56 107.32 102.63 2hf9 s GLY 123 Ca 0.66 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 44.60 2hf9 s GLY 123 CO 0.30 3.04 1.11 0.21 0.00 0.00 0.00 173.10 177.76 2hf9 s ASN 124 N 5.74 -0.32 0.00 1.64 3.84 0.43 -4.49 114.94 121.78 2hf9 s ASN 124 Ca 0.59 0.52 0.22 0.00 0.21 0.00 0.00 52.86 54.40 2hf9 s ASN 124 Cb -0.13 1.04 0.51 0.00 -0.55 0.00 0.00 41.25 42.13 2hf9 s ASN 124 CO 0.24 -0.08 1.45 0.18 -2.79 0.00 0.00 177.10 176.09 2hf9 n LEU 125 N 3.23 3.28 0.00 3.21 4.77 -1.26 -4.41 117.00 125.82 2hf9 n LEU 125 Ca -0.17 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2hf9 n LEU 125 Cb 0.57 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2hf9 n LEU 125 CO 0.04 0.74 0.00 -0.38 -1.33 0.00 0.00 177.39 176.46 2hf9 n ILE 126 N 1.34 0.00 -0.17 -0.08 -0.00 -1.26 -4.48 119.36 114.72 2hf9 n ILE 126 Ca 0.20 0.29 -0.08 0.00 -0.00 0.00 0.00 62.75 63.15 2hf9 n ILE 126 Cb 0.56 -1.28 0.01 0.00 -0.00 0.00 0.00 39.64 38.93 2hf9 n ILE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2hf9 h PRO 128 N 0.65 0.00 -0.91 0.00 0.11 -1.81 -2.90 132.00 127.14 2hf9 h PRO 128 Ca 0.17 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.36 2hf9 h PRO 128 Cb 0.13 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 2hf9 h PRO 128 CO -0.02 0.00 0.56 0.00 -0.21 0.00 0.00 178.00 178.33 2hf9 h ALA 129 N 2.01 1.29 -0.01 -0.75 0.00 -1.85 -2.59 119.26 117.37 2hf9 h ALA 129 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hf9 h ALA 129 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2hf9 h ALA 129 CO 0.00 0.24 -0.22 -0.25 0.00 0.00 0.00 179.25 179.02 2hf9 n ASP 130 N -4.64 0.79 -4.06 0.00 8.00 -1.09 -4.74 116.55 110.81 2hf9 n ASP 130 Ca 0.15 -0.71 -0.35 0.00 0.71 0.00 0.00 54.79 54.59 2hf9 n ASP 130 Cb 0.25 0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 2hf9 n ASP 130 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2hf9 s PHE 131 N -2.54 3.40 0.13 1.24 0.40 -0.98 -4.97 117.98 114.66 2hf9 s PHE 131 Ca 0.24 -2.79 -0.31 0.00 -0.60 0.00 0.00 56.93 53.47 2hf9 s PHE 131 Cb 0.19 -3.11 -0.10 0.00 0.51 0.00 0.00 43.02 40.51 2hf9 s PHE 131 CO 0.52 -0.84 1.72 0.34 0.70 0.00 0.00 175.22 177.66 2hf9 s ASP 132 N 0.64 6.49 0.00 1.36 -1.08 -1.26 -4.88 116.67 117.94 2hf9 s ASP 132 Ca 0.15 2.69 0.25 0.00 -0.52 0.00 0.00 52.55 55.12 2hf9 s ASP 132 Cb -0.22 -2.58 0.42 0.00 -1.46 0.00 0.00 42.92 39.09 2hf9 s ASP 132 CO -0.03 -0.94 1.36 0.18 0.52 0.00 0.00 175.17 176.26 2hf9 n LEU 133 N 5.02 0.55 0.00 -1.34 4.77 -1.26 -3.79 117.00 120.96 2hf9 n LEU 133 Ca 0.16 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2hf9 n LEU 133 Cb 0.38 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2hf9 n LEU 133 CO 0.64 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2hf9 n GLY 134 N 1.50 1.27 3.95 -0.72 0.00 -1.26 -4.50 105.19 105.44 2hf9 n GLY 134 Ca 0.05 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2hf9 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hf9 s THR 135 N -2.00 4.19 0.03 2.61 -4.23 -1.26 -3.43 115.64 111.54 2hf9 s THR 135 Ca 0.00 -0.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.86 2hf9 s THR 135 Cb 0.00 -3.54 -0.35 0.00 1.34 0.00 0.00 72.50 69.94 2hf9 s THR 135 CO 0.00 -0.38 1.00 0.45 -0.54 0.00 0.00 174.62 175.15 2hf9 h HIS 136 N 0.46 0.96 -3.90 3.99 3.86 -1.53 -3.48 115.15 115.51 2hf9 h HIS 136 Ca -0.47 -0.70 -0.30 0.00 -1.16 0.00 0.00 60.37 57.75 2hf9 h HIS 136 Cb 1.25 -0.04 -0.20 0.00 1.06 0.00 0.00 27.41 29.48 2hf9 h HIS 136 CO 0.46 1.54 -0.74 0.15 0.86 0.00 0.00 177.93 180.21 2hf9 s LYS 137 N -2.61 0.67 -0.12 2.45 -0.14 -1.05 -5.05 119.74 113.89 2hf9 s LYS 137 Ca -0.09 -0.93 0.01 0.00 -1.36 0.00 0.00 55.97 53.60 2hf9 s LYS 137 Cb 0.04 -0.41 -0.01 0.00 -1.68 0.00 0.00 37.83 35.77 2hf9 s LYS 137 CO 0.94 0.07 -0.15 1.03 -0.76 0.00 0.00 175.35 176.48 2hf9 s ARG 138 N -2.10 3.22 -0.15 1.68 0.52 -1.26 -1.02 118.95 119.84 2hf9 s ARG 138 Ca -0.03 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2hf9 s ARG 138 Cb -0.07 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.87 2hf9 s ARG 138 CO -0.00 0.26 -0.21 0.42 0.02 0.00 0.00 175.30 175.78 2hf9 s ILE 139 N 0.22 2.12 -0.25 1.52 1.01 0.11 -0.66 121.20 125.28 2hf9 s ILE 139 Ca -0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 2hf9 s ILE 139 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2hf9 s ILE 139 CO 0.06 0.54 0.06 -0.69 0.00 0.00 0.00 174.94 174.92 2hf9 s VAL 140 N 0.88 4.26 -0.30 2.92 1.01 -0.17 -0.09 120.40 128.91 2hf9 s VAL 140 Ca -0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2hf9 s VAL 140 Cb -0.15 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2hf9 s VAL 140 CO -0.03 0.34 0.13 -0.69 0.00 0.00 0.00 175.10 174.84 2hf9 s VAL 141 N 1.61 4.52 0.41 2.92 1.01 0.57 -0.72 120.40 130.72 2hf9 s VAL 141 Ca 0.06 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2hf9 s VAL 141 Cb -0.15 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 2hf9 s VAL 141 CO 0.03 0.13 0.01 0.27 0.00 0.00 0.00 175.10 175.55 2hf9 s ILE 142 N 1.61 1.97 0.06 2.22 -0.00 -0.29 -3.15 121.20 123.61 2hf9 s ILE 142 Ca 0.05 -2.00 0.01 0.00 -0.00 0.00 0.00 60.65 58.71 2hf9 s ILE 142 Cb -0.17 -2.96 -0.03 0.00 -0.00 0.00 0.00 42.46 39.30 2hf9 s ILE 142 CO 0.06 0.00 -0.05 -0.94 -0.00 0.00 0.00 174.94 174.00 2hf9 s SER 143 N -3.72 0.76 0.50 4.36 1.04 -1.26 -0.25 113.70 115.13 2hf9 s SER 143 Ca 0.34 -0.82 0.20 0.00 0.48 0.00 0.00 55.95 56.15 2hf9 s SER 143 Cb 0.10 0.11 1.28 0.00 0.10 0.00 0.00 66.02 67.61 2hf9 s SER 143 CO 0.17 -0.42 2.03 0.71 0.98 0.00 0.00 173.24 176.72 2hf9 h THR 144 N 3.63 0.84 0.00 2.02 1.35 -1.45 -2.32 112.91 116.98 2hf9 h THR 144 Ca -0.35 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2hf9 h THR 144 Cb 1.17 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2hf9 h THR 144 CO 0.56 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 176.20 2hf9 n THR 145 N -4.44 0.67 1.02 6.82 -2.24 -1.26 -1.49 114.28 113.36 2hf9 n THR 145 Ca 0.07 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 2hf9 n THR 145 Cb 0.43 -0.85 0.43 0.00 -2.10 0.00 0.00 70.33 68.24 2hf9 n THR 145 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hf9 n GLU 146 N -1.46 0.03 0.00 -0.78 1.02 -0.87 -5.05 120.64 113.53 2hf9 n GLU 146 Ca 0.05 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2hf9 n GLU 146 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2hf9 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hf9 n GLY 147 N 1.49 2.41 0.30 0.62 0.00 -0.55 -4.73 105.19 104.72 2hf9 n GLY 147 Ca 0.07 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.36 2hf9 n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hf9 n ASP 148 N 0.00 0.89 -0.53 1.61 5.68 -1.26 -3.03 116.55 119.90 2hf9 n ASP 148 Ca 0.00 -1.77 0.11 0.00 -0.50 0.00 0.00 54.79 52.63 2hf9 n ASP 148 Cb 0.00 -0.08 0.07 0.00 -1.14 0.00 0.00 41.12 39.96 2hf9 n ASP 148 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2hf9 n ASP 149 N -0.11 2.03 -0.33 -1.12 8.00 -1.26 -4.62 116.55 119.13 2hf9 n ASP 149 Ca 0.11 -1.51 0.04 0.00 0.71 0.00 0.00 54.79 54.14 2hf9 n ASP 149 Cb 0.17 0.36 0.23 0.00 -0.02 0.00 0.00 41.12 41.86 2hf9 n ASP 149 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2hf9 h THR 150 N 2.60 1.04 -0.08 -3.53 2.02 -1.83 0.29 112.91 113.42 2hf9 h THR 150 Ca 0.00 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2hf9 h THR 150 Cb 0.75 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2hf9 h THR 150 CO 0.00 0.19 -0.12 0.40 0.37 0.00 0.00 175.52 176.36 2hf9 h ILE 151 N 1.05 1.39 0.00 3.11 2.04 -1.85 -3.04 117.51 120.21 2hf9 h ILE 151 Ca 0.42 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2hf9 h ILE 151 Cb 0.25 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2hf9 h ILE 151 CO -0.17 0.38 0.00 1.05 0.00 0.00 0.00 178.15 179.41 2hf9 h GLU 152 N -0.22 0.00 0.00 2.37 4.11 -1.78 -2.67 114.58 116.39 2hf9 h GLU 152 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2hf9 h GLU 152 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2hf9 h GLU 152 CO 0.03 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.74 2hf9 n LYS 153 N -2.93 0.26 -3.15 1.06 5.02 0.05 -4.26 118.16 114.22 2hf9 n LYS 153 Ca 0.02 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.35 2hf9 n LYS 153 Cb 0.36 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 2hf9 n LYS 153 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2hf9 n HIS 154 N -2.26 0.80 0.22 2.13 8.25 -1.01 -4.96 115.22 118.39 2hf9 n HIS 154 Ca 0.05 -3.84 0.08 0.00 -0.26 0.00 0.00 57.72 53.75 2hf9 n HIS 154 Cb 0.41 -0.43 0.52 0.00 1.12 0.00 0.00 29.99 31.61 2hf9 n HIS 154 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2hf9 h PRO 155 N 3.00 0.00 0.16 -0.41 0.13 -1.74 -3.15 132.00 129.99 2hf9 h PRO 155 Ca 0.10 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.25 2hf9 h PRO 155 Cb 0.90 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 2hf9 h PRO 155 CO 0.55 0.25 -0.33 0.78 -0.23 0.00 0.00 178.00 179.02 2hf9 h GLY 156 N 1.17 -0.66 1.55 1.56 0.00 -1.92 -1.38 103.07 103.39 2hf9 h GLY 156 Ca -0.00 0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.60 2hf9 h GLY 156 CO 0.03 -0.26 -0.33 1.19 0.00 0.00 0.00 176.54 177.17 2hf9 h ILE 157 N -0.58 1.29 -0.79 2.60 2.10 -1.78 -3.06 117.51 117.29 2hf9 h ILE 157 Ca 0.02 -1.44 0.02 0.00 1.08 0.00 0.00 64.86 64.54 2hf9 h ILE 157 Cb 0.59 1.47 -0.04 0.00 -1.09 0.00 0.00 36.82 37.75 2hf9 h ILE 157 CO -0.17 0.45 0.52 0.24 -1.08 0.00 0.00 178.15 178.11 2hf9 h MET 158 N 0.44 1.01 0.00 2.19 2.86 -1.46 -1.09 114.93 118.89 2hf9 h MET 158 Ca 0.05 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2hf9 h MET 158 Cb 0.79 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2hf9 h MET 158 CO 0.06 0.67 0.00 0.87 1.06 0.00 0.00 176.91 179.57 2hf9 h LYS 159 N 1.04 0.00 -0.01 1.72 1.57 -1.15 -2.55 116.57 117.19 2hf9 h LYS 159 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2hf9 h LYS 159 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2hf9 h LYS 159 CO -0.07 0.00 -0.37 0.25 -0.57 0.00 0.00 179.45 178.69 2hf9 n THR 160 N -2.58 0.00 -2.99 -0.16 -2.24 -0.42 -4.94 114.28 100.95 2hf9 n THR 160 Ca 0.01 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 2hf9 n THR 160 Cb 0.22 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 2hf9 n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hf9 s ALA 161 N -2.59 3.45 -0.10 6.98 0.00 -0.96 -4.71 121.76 123.83 2hf9 s ALA 161 Ca 0.21 0.34 0.15 0.00 0.00 0.00 0.00 51.96 52.65 2hf9 s ALA 161 Cb 0.19 -2.94 -0.23 0.00 0.00 0.00 0.00 23.12 20.14 2hf9 s ALA 161 CO 0.57 0.30 0.50 -0.25 0.00 0.00 0.00 175.76 176.87 2hf9 n ASP 162 N 1.50 0.59 -3.94 0.00 8.00 0.17 -4.55 116.55 118.32 2hf9 n ASP 162 Ca -0.05 0.28 -0.21 0.00 0.71 0.00 0.00 54.79 55.51 2hf9 n ASP 162 Cb 0.49 0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.74 2hf9 n ASP 162 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hf9 s LEU 163 N -5.85 1.46 -0.23 0.64 2.96 -0.95 -0.90 118.68 115.80 2hf9 s LEU 163 Ca -0.06 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2hf9 s LEU 163 Cb 0.08 -0.57 -0.00 0.00 0.50 0.00 0.00 46.19 46.20 2hf9 s LEU 163 CO 0.83 -0.02 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.17 2hf9 s ILE 164 N 0.79 3.35 -0.27 6.68 1.01 0.92 -1.00 121.20 132.68 2hf9 s ILE 164 Ca -0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 2hf9 s ILE 164 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2hf9 s ILE 164 CO 0.01 0.35 0.10 -0.69 0.00 0.00 0.00 174.94 174.71 2hf9 s VAL 165 N 1.45 4.50 -0.62 2.92 1.01 0.10 -0.97 120.40 128.79 2hf9 s VAL 165 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 2hf9 s VAL 165 Cb -0.15 -3.15 0.14 0.00 0.00 0.00 0.00 36.38 33.22 2hf9 s VAL 165 CO -0.03 0.26 0.61 -0.63 0.00 0.00 0.00 175.10 175.32 2hf9 s ILE 166 N 1.63 5.20 0.57 2.22 1.01 -0.13 -1.14 121.20 130.56 2hf9 s ILE 166 Ca 0.06 -1.59 0.01 0.00 0.00 0.00 0.00 60.65 59.12 2hf9 s ILE 166 Cb -0.16 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 37.95 2hf9 s ILE 166 CO 0.05 -0.97 0.80 0.21 0.00 0.00 0.00 174.94 175.03 2hf9 s ASN 167 N 3.32 5.19 -1.34 3.58 3.04 0.65 -0.51 114.94 128.88 2hf9 s ASN 167 Ca 0.09 -0.03 -0.07 0.00 0.04 0.00 0.00 52.86 52.89 2hf9 s ASN 167 Cb -0.24 -0.81 0.01 0.00 -1.54 0.00 0.00 41.25 38.67 2hf9 s ASN 167 CO 0.01 -1.21 0.91 0.29 -3.04 0.00 0.00 177.10 174.06 2hf9 n LYS 168 N -2.40 -6.40 0.31 0.43 5.02 -0.65 -1.41 118.16 113.08 2hf9 n LYS 168 Ca 0.09 0.80 0.20 0.00 -2.02 0.00 0.00 58.31 57.38 2hf9 n LYS 168 Cb 0.60 -5.63 1.00 0.00 -0.02 0.00 0.00 35.03 30.98 2hf9 n LYS 168 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2hf9 h ILE 169 N -2.08 0.09 0.00 -0.18 3.07 -1.60 -0.78 117.51 116.03 2hf9 h ILE 169 Ca -0.52 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2hf9 h ILE 169 Cb 1.34 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 2hf9 h ILE 169 CO 0.53 0.01 0.00 -0.90 -1.05 0.00 0.00 178.15 176.74 2hf9 n ASP 170 N -3.18 0.64 -0.60 2.16 5.75 -1.26 -2.88 116.55 117.18 2hf9 n ASP 170 Ca -0.02 0.70 0.06 0.00 -0.01 0.00 0.00 54.79 55.52 2hf9 n ASP 170 Cb 0.16 -0.82 0.11 0.00 -1.03 0.00 0.00 41.12 39.54 2hf9 n ASP 170 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hf9 n LEU 171 N -2.25 2.52 -0.17 -2.12 4.77 -0.30 -4.74 117.00 114.70 2hf9 n LEU 171 Ca 0.01 -1.49 -0.08 0.00 -0.03 0.00 0.00 56.01 54.42 2hf9 n LEU 171 Cb 0.17 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2hf9 n LEU 171 CO 0.17 0.56 0.98 0.00 -1.33 0.00 0.00 177.39 177.77 2hf9 h ALA 172 N 2.34 0.65 -0.25 -1.18 0.00 -1.60 -2.39 119.26 116.83 2hf9 h ALA 172 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2hf9 h ALA 172 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2hf9 h ALA 172 CO 0.00 0.22 -0.10 -0.44 0.00 0.00 0.00 179.25 178.92 2hf9 h ASP 173 N 0.66 0.39 0.97 0.00 3.32 -1.84 0.23 116.42 120.15 2hf9 h ASP 173 Ca 0.17 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2hf9 h ASP 173 Cb 0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2hf9 h ASP 173 CO -0.02 0.53 -0.26 0.00 -1.72 0.00 0.00 179.24 177.77 2hf9 h ALA 174 N 1.51 0.99 -0.00 3.45 0.00 -1.77 -2.90 119.26 120.55 2hf9 h ALA 174 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hf9 h ALA 174 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2hf9 h ALA 174 CO 0.02 0.33 -0.78 1.33 0.00 0.00 0.00 179.25 180.15 2hf9 n VAL 175 N -3.40 0.00 -1.67 0.00 0.24 -1.07 -4.99 118.33 107.44 2hf9 n VAL 175 Ca 0.00 -0.11 -0.03 0.00 -2.04 0.00 0.00 64.34 62.17 2hf9 n VAL 175 Cb 0.46 1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 33.89 2hf9 n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hf9 n GLY 176 N 1.42 0.39 3.76 7.63 0.00 -0.23 -5.00 105.19 113.16 2hf9 n GLY 176 Ca 0.05 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2hf9 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hf9 s ALA 177 N -2.13 3.43 -0.55 4.61 0.00 0.65 -4.91 121.76 122.86 2hf9 s ALA 177 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 2hf9 s ALA 177 Cb 0.00 -2.88 0.09 0.00 0.00 0.00 0.00 23.12 20.33 2hf9 s ALA 177 CO 0.00 0.14 0.61 0.34 0.00 0.00 0.00 175.76 176.86 2hf9 s ASP 178 N -0.28 6.19 0.30 0.00 -1.08 -1.26 -4.47 116.67 116.07 2hf9 s ASP 178 Ca 0.35 -1.33 0.07 0.00 -0.52 0.00 0.00 52.55 51.12 2hf9 s ASP 178 Cb -0.20 -2.27 0.48 0.00 -1.46 0.00 0.00 42.92 39.47 2hf9 s ASP 178 CO 0.21 -0.96 1.71 0.16 0.52 0.00 0.00 175.17 176.82 2hf9 h ILE 179 N 5.88 1.31 -0.69 4.11 3.07 -1.96 -2.00 117.51 127.24 2hf9 h ILE 179 Ca -0.29 -1.49 -0.06 0.00 1.55 0.00 0.00 64.86 64.57 2hf9 h ILE 179 Cb 1.09 1.68 -0.03 0.00 -0.27 0.00 0.00 36.82 39.29 2hf9 h ILE 179 CO 1.03 0.44 0.19 0.11 -1.05 0.00 0.00 178.15 178.87 2hf9 h LYS 180 N 0.18 1.09 -0.14 0.16 1.57 -1.99 -0.03 116.57 117.41 2hf9 h LYS 180 Ca 0.02 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2hf9 h LYS 180 Cb 0.80 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2hf9 h LYS 180 CO 0.06 0.96 0.09 -0.22 -0.57 0.00 0.00 179.45 179.77 2hf9 h LYS 181 N 1.02 0.19 -0.66 3.15 3.64 -1.89 -1.97 116.57 120.06 2hf9 h LYS 181 Ca 0.22 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2hf9 h LYS 181 Cb 0.34 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2hf9 h LYS 181 CO -0.00 0.14 0.38 0.52 -2.27 0.00 0.00 179.45 178.22 2hf9 h MET 182 N 0.18 0.90 -0.69 1.90 2.86 -1.08 0.13 114.93 119.13 2hf9 h MET 182 Ca 0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2hf9 h MET 182 Cb -0.01 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 2hf9 h MET 182 CO -0.01 0.66 0.39 1.49 1.06 0.00 0.00 176.91 180.50 2hf9 h GLU 183 N 0.89 0.96 -0.54 1.72 4.81 -0.94 -1.19 114.58 120.29 2hf9 h GLU 183 Ca 0.23 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 2hf9 h GLU 183 Cb 0.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2hf9 h GLU 183 CO -0.04 0.71 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.93 2hf9 h ASN 184 N 0.95 1.03 -0.33 1.04 2.35 -0.97 -2.10 115.58 117.55 2hf9 h ASN 184 Ca 0.25 -0.34 0.06 0.00 -0.55 0.00 0.00 56.30 55.72 2hf9 h ASN 184 Cb 0.02 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.05 2hf9 h ASN 184 CO -0.04 1.13 -0.03 0.44 -1.65 0.00 0.00 177.43 177.28 2hf9 h ASP 185 N 0.91 -0.21 -0.26 5.81 3.45 -0.38 -0.85 116.42 124.89 2hf9 h ASP 185 Ca 0.14 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 2hf9 h ASP 185 Cb 0.67 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.59 2hf9 h ASP 185 CO 0.05 -0.07 0.09 0.00 -1.57 0.00 0.00 179.24 177.74 2hf9 h ALA 186 N 1.31 0.35 -0.85 3.45 0.00 -1.13 -1.20 119.26 121.19 2hf9 h ALA 186 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2hf9 h ALA 186 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2hf9 h ALA 186 CO -0.30 -0.03 0.42 0.87 0.00 0.00 0.00 179.25 180.21 2hf9 h LYS 187 N 0.27 1.21 -0.15 0.00 1.57 -1.24 -1.02 116.57 117.22 2hf9 h LYS 187 Ca 0.09 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 2hf9 h LYS 187 Cb 0.22 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.31 2hf9 h LYS 187 CO -0.00 0.92 -0.58 -0.09 -0.57 0.00 0.00 179.45 179.13 2hf9 h ARG 188 N 1.21 0.65 -0.11 3.15 2.43 -1.02 -2.01 114.38 118.67 2hf9 h ARG 188 Ca 0.29 -0.50 -0.20 0.00 -0.81 0.00 0.00 59.98 58.76 2hf9 h ARG 188 Cb 0.10 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2hf9 h ARG 188 CO -0.04 1.12 -0.74 0.82 -1.51 0.00 0.00 179.97 179.62 2hf9 h ILE 189 N 0.32 1.34 -2.71 1.20 2.04 -1.17 -3.38 117.51 115.15 2hf9 h ILE 189 Ca -0.03 -2.06 -0.60 0.00 1.00 0.00 0.00 64.86 63.16 2hf9 h ILE 189 Cb 1.21 2.05 -0.40 0.00 -0.74 0.00 0.00 36.82 38.94 2hf9 h ILE 189 CO 0.12 0.63 -0.80 0.21 0.00 0.00 0.00 178.15 178.31 2hf9 s ASN 190 N -7.02 2.95 0.65 1.72 3.84 -0.39 -4.75 114.94 111.94 2hf9 s ASN 190 Ca -0.07 -3.16 0.40 0.00 0.21 0.00 0.00 52.86 50.24 2hf9 s ASN 190 Cb 0.10 -0.90 2.22 0.00 -0.55 0.00 0.00 41.25 42.12 2hf9 s ASN 190 CO 0.86 -0.17 2.29 -0.65 -2.79 0.00 0.00 177.10 176.65 2hf9 h PRO 191 N 5.86 0.00 0.00 0.43 0.11 -1.55 -2.36 132.00 134.50 2hf9 h PRO 191 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2hf9 h PRO 191 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2hf9 h PRO 191 CO 0.49 0.00 -0.71 -0.44 -0.21 0.00 0.00 178.00 177.13 2hf9 h ASP 192 N 0.00 0.00 -4.14 -2.05 3.32 -1.94 -3.48 116.42 108.14 2hf9 h ASP 192 Ca 0.00 -0.13 -0.47 0.00 0.02 0.00 0.00 57.03 56.46 2hf9 h ASP 192 Cb 0.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.67 2hf9 h ASP 192 CO -0.00 0.06 0.37 0.00 -1.72 0.00 0.00 179.24 177.95 2hf9 s ALA 193 N -3.24 2.96 0.19 3.45 0.00 -0.89 -5.01 121.76 119.23 2hf9 s ALA 193 Ca 0.04 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 2hf9 s ALA 193 Cb 0.11 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 2hf9 s ALA 193 CO 0.74 -0.25 0.90 -1.21 0.00 0.00 0.00 175.76 175.93 2hf9 s GLU 194 N -3.67 4.75 -0.15 0.00 0.41 -0.08 -4.94 118.70 115.02 2hf9 s GLU 194 Ca 0.62 1.39 0.01 0.00 -0.41 0.00 0.00 54.97 56.58 2hf9 s GLU 194 Cb -0.12 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 28.95 2hf9 s GLU 194 CO 0.25 0.47 -0.17 0.08 -0.49 0.00 0.00 175.26 175.40 2hf9 s VAL 195 N -0.92 1.74 -0.10 2.63 1.01 -1.26 -0.05 120.40 123.44 2hf9 s VAL 195 Ca 0.41 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2hf9 s VAL 195 Cb -0.25 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2hf9 s VAL 195 CO 0.30 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 175.00 2hf9 s VAL 196 N 1.26 1.77 -0.17 2.92 1.01 -0.14 -4.99 120.40 122.06 2hf9 s VAL 196 Ca 0.01 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2hf9 s VAL 196 Cb -0.14 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2hf9 s VAL 196 CO -0.08 0.50 0.65 -0.76 0.00 0.00 0.00 175.10 175.41 2hf9 s LEU 197 N 0.56 4.18 0.01 3.92 1.43 -1.26 -0.95 118.68 126.57 2hf9 s LEU 197 Ca -0.15 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 2hf9 s LEU 197 Cb -0.17 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 2hf9 s LEU 197 CO 0.05 -0.25 -0.08 -0.22 0.23 0.00 0.00 176.35 176.08 2hf9 s LEU 198 N 1.69 2.09 -0.14 1.79 2.96 0.34 -4.15 118.68 123.26 2hf9 s LEU 198 Ca 0.31 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2hf9 s LEU 198 Cb -0.16 -0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.20 2hf9 s LEU 198 CO 0.12 0.02 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.51 2hf9 s SER 199 N -0.62 2.51 0.00 3.68 0.15 -0.49 -1.63 113.70 117.30 2hf9 s SER 199 Ca -0.00 -0.45 0.31 0.00 0.70 0.00 0.00 55.95 56.51 2hf9 s SER 199 Cb -0.05 -1.00 1.70 0.00 -1.71 0.00 0.00 66.02 64.96 2hf9 s SER 199 CO 0.00 -0.11 2.13 0.18 1.20 0.00 0.00 173.24 176.65 2hf9 n LEU 200 N 4.86 0.00 -0.08 3.45 4.77 -1.26 0.13 117.00 128.86 2hf9 n LEU 200 Ca -0.14 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2hf9 n LEU 200 Cb 0.50 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2hf9 n LEU 200 CO 0.19 -0.00 -0.24 0.50 -1.33 0.00 0.00 177.39 176.51 2hf9 h LYS 201 N 0.00 0.00 0.00 3.23 3.64 -1.96 -3.39 116.57 118.09 2hf9 h LYS 201 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hf9 h LYS 201 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2hf9 h LYS 201 CO 0.00 0.61 -0.50 1.79 -2.27 0.00 0.00 179.45 179.07 2hf9 h THR 202 N -1.00 0.00 0.00 1.00 1.35 -1.99 -3.48 112.91 108.79 2hf9 h THR 202 Ca -0.15 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2hf9 h THR 202 Cb 0.87 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2hf9 h THR 202 CO -0.09 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.41 2hf9 n MET 203 N -2.70 -0.31 -1.82 4.72 2.81 0.12 -5.01 117.12 114.92 2hf9 n MET 203 Ca 0.02 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.57 2hf9 n MET 203 Cb 0.52 -3.35 -0.03 0.00 -0.71 0.00 0.00 33.22 29.65 2hf9 n MET 203 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2hf9 s GLU 204 N -0.44 4.17 0.00 0.03 2.12 -1.17 -1.99 118.70 121.42 2hf9 s GLU 204 Ca 0.00 2.49 0.00 0.00 0.36 0.00 0.00 54.97 57.82 2hf9 s GLU 204 Cb 0.00 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2hf9 s GLU 204 CO 0.00 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 2hf9 n GLY 205 N 3.92 1.38 0.35 -1.50 0.00 -1.26 -1.39 105.19 106.69 2hf9 n GLY 205 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hf9 n GLY 205 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hf9 h PHE 206 N 0.00 1.02 -1.00 1.61 3.57 -1.69 -1.86 116.94 118.58 2hf9 h PHE 206 Ca 0.00 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.71 2hf9 h PHE 206 Cb 0.00 -0.34 -0.11 0.00 2.79 0.00 0.00 35.95 38.29 2hf9 h PHE 206 CO 0.00 0.65 0.61 0.22 -2.23 0.00 0.00 178.31 177.56 2hf9 h ASP 207 N 1.09 0.78 0.48 0.41 3.58 -1.92 -0.84 116.42 120.00 2hf9 h ASP 207 Ca 0.29 0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.72 2hf9 h ASP 207 Cb -0.11 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2hf9 h ASP 207 CO -0.06 0.28 -0.55 0.11 -2.88 0.00 0.00 179.24 176.14 2hf9 h LYS 208 N 0.77 0.07 -0.09 0.28 1.79 -1.75 -0.83 116.57 116.81 2hf9 h LYS 208 Ca 0.57 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.95 2hf9 h LYS 208 Cb 0.89 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2hf9 h LYS 208 CO -0.37 0.60 -0.14 0.28 -1.08 0.00 0.00 179.45 178.74 2hf9 h VAL 209 N 0.06 1.38 -0.81 0.50 2.07 -1.10 -2.12 116.25 116.24 2hf9 h VAL 209 Ca -0.00 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.24 2hf9 h VAL 209 Cb 0.99 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.75 2hf9 h VAL 209 CO 0.08 0.39 0.46 -0.07 0.02 0.00 0.00 177.57 178.44 2hf9 h LEU 210 N -0.18 0.66 -0.43 2.57 3.38 -1.19 -1.19 115.31 118.94 2hf9 h LEU 210 Ca 0.01 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2hf9 h LEU 210 Cb 0.69 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2hf9 h LEU 210 CO 0.03 0.39 0.17 -0.08 0.09 0.00 0.00 178.44 179.04 2hf9 h GLU 211 N 0.78 0.33 -0.46 1.13 4.81 -1.10 -1.34 114.58 118.74 2hf9 h GLU 211 Ca 0.38 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2hf9 h GLU 211 Cb 0.33 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2hf9 h GLU 211 CO -0.24 0.22 0.30 0.35 -0.73 0.00 0.00 179.01 178.91 2hf9 h PHE 212 N 0.34 0.57 -0.09 0.92 3.57 -0.64 -0.68 116.94 120.93 2hf9 h PHE 212 Ca 0.20 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2hf9 h PHE 212 Cb 0.17 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2hf9 h PHE 212 CO -0.14 0.35 -0.02 0.82 -2.23 0.00 0.00 178.31 177.10 2hf9 h ILE 213 N 0.61 0.92 -0.35 1.41 1.08 -0.85 -1.17 117.51 119.15 2hf9 h ILE 213 Ca 0.17 -0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.60 2hf9 h ILE 213 Cb -0.06 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2hf9 h ILE 213 CO -0.04 0.00 0.07 -0.33 -0.69 0.00 0.00 178.15 177.16 2hf9 h GLU 214 N 0.01 0.58 -0.74 2.37 4.39 -1.10 -1.77 114.58 118.32 2hf9 h GLU 214 Ca 0.04 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.64 2hf9 h GLU 214 Cb 0.06 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2hf9 h GLU 214 CO -0.09 0.64 0.45 -0.22 -1.16 0.00 0.00 179.01 178.63 2hf9 h LYS 215 N 0.42 0.83 -0.64 2.33 3.64 -1.07 -1.80 116.57 120.28 2hf9 h LYS 215 Ca 0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2hf9 h LYS 215 Cb 0.33 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2hf9 h LYS 215 CO 0.00 0.55 0.33 0.77 -2.27 0.00 0.00 179.45 178.83 2hf9 h SER 216 N 0.85 0.81 -0.21 4.20 0.02 -0.95 -1.67 113.55 116.60 2hf9 h SER 216 Ca 0.31 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2hf9 h SER 216 Cb 0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2hf9 h SER 216 CO -0.14 0.69 0.13 0.58 -1.14 0.00 0.00 176.83 176.95 2hf9 h VAL 217 N 0.87 1.07 0.00 2.27 2.07 -1.02 -2.91 116.25 118.60 2hf9 h VAL 217 Ca 0.22 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2hf9 h VAL 217 Cb 0.07 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2hf9 h VAL 217 CO -0.03 0.07 -0.28 0.11 0.02 0.00 0.00 177.57 177.46 2hf9 h LYS 218 N 0.27 0.00 0.00 1.57 1.79 -1.08 -3.16 116.57 115.96 2hf9 h LYS 218 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2hf9 h LYS 218 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2hf9 h LYS 218 CO -0.02 0.28 -0.39 -0.85 -1.08 0.00 0.00 179.45 177.39 2hf9 n GLU 219 N -4.05 0.07 -1.64 3.15 0.28 -0.65 -4.96 120.64 112.83 2hf9 n GLU 219 Ca -0.02 0.02 -0.50 0.00 -0.16 0.00 0.00 57.16 56.50 2hf9 n GLU 219 Cb 0.34 -1.55 -0.05 0.00 1.43 0.00 0.00 31.44 31.61 2hf9 n GLU 219 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2hf9 n VAL 220 N -1.65 0.11 -0.42 3.84 0.31 -1.15 -5.09 118.33 114.28 2hf9 n VAL 220 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2hf9 n VAL 220 Cb 0.36 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 2hf9 n VAL 220 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68