#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi9 s ASP 2 N 0.00 6.88 0.22 1.61 -1.08 -1.26 -4.71 116.67 118.33 1fi9 s ASP 2 Ca 0.00 1.07 -0.08 0.00 -0.52 0.00 0.00 52.55 53.02 1fi9 s ASP 2 Cb 0.00 -2.41 0.18 0.00 -1.46 0.00 0.00 42.92 39.23 1fi9 s ASP 2 CO 0.00 -0.29 1.83 0.58 0.52 0.00 0.00 175.17 177.81 1fi9 h VAL 3 N 5.08 1.25 0.61 1.11 2.07 -1.83 0.12 116.25 124.67 1fi9 h VAL 3 Ca -0.33 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1fi9 h VAL 3 Cb 1.15 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1fi9 h VAL 3 CO 0.80 0.30 -0.29 -0.33 0.02 0.00 0.00 177.57 178.06 1fi9 h GLU 4 N 1.19 -0.79 -0.51 1.57 4.39 -1.94 0.21 114.58 118.69 1fi9 h GLU 4 Ca 0.29 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.10 1fi9 h GLU 4 Cb 0.08 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1fi9 h GLU 4 CO -0.04 -0.48 0.25 0.87 -1.16 0.00 0.00 179.01 178.45 1fi9 h LYS 5 N -0.99 0.47 -0.80 2.33 1.79 -1.91 -2.30 116.57 115.16 1fi9 h LYS 5 Ca -0.08 -0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.53 1fi9 h LYS 5 Cb 0.68 -0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 31.11 1fi9 h LYS 5 CO 0.14 0.31 0.30 0.78 -1.08 0.00 0.00 179.45 179.90 1fi9 h GLY 6 N 0.49 1.24 0.99 3.86 0.00 -0.44 0.35 103.07 109.55 1fi9 h GLY 6 Ca 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1fi9 h GLY 6 CO -0.17 -0.17 -0.35 1.70 0.00 0.00 0.00 176.54 177.55 1fi9 h LYS 7 N 0.39 -0.93 -0.73 4.80 3.64 -0.09 0.83 116.57 124.47 1fi9 h LYS 7 Ca 0.46 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1fi9 h LYS 7 Cb 0.78 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1fi9 h LYS 7 CO -0.47 -0.61 0.45 0.87 -2.27 0.00 0.00 179.45 177.42 1fi9 h LYS 8 N -0.99 0.99 0.46 1.90 6.56 -0.81 -0.68 116.57 124.00 1fi9 h LYS 8 Ca -0.10 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.39 1fi9 h LYS 8 Cb 0.75 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1fi9 h LYS 8 CO 0.16 0.68 -0.22 0.82 -2.06 0.00 0.00 179.45 178.83 1fi9 h ILE 9 N 1.01 0.00 -0.91 1.86 2.04 -0.15 0.17 117.51 121.53 1fi9 h ILE 9 Ca 0.27 -0.06 0.25 0.00 1.00 0.00 0.00 64.86 66.31 1fi9 h ILE 9 Cb -0.06 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.87 1fi9 h ILE 9 CO -0.05 0.00 0.14 0.15 0.00 0.00 0.00 178.15 178.39 1fi9 h PHE 10 N -0.68 0.17 0.86 1.37 3.57 -0.61 0.32 116.94 121.94 1fi9 h PHE 10 Ca -0.06 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1fi9 h PHE 10 Cb 0.48 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1fi9 h PHE 10 CO 0.10 -0.31 -0.41 0.28 -2.23 0.00 0.00 178.31 175.74 1fi9 h VAL 11 N 0.11 0.00 0.00 1.41 2.07 -1.06 0.20 116.25 118.98 1fi9 h VAL 11 Ca 0.56 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.98 1fi9 h VAL 11 Cb 1.16 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1fi9 h VAL 11 CO -0.76 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 178.35 1fi9 h GLN 12 N -1.25 0.00 0.01 1.57 1.08 0.12 -2.73 115.11 113.91 1fi9 h GLN 12 Ca -0.12 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.71 1fi9 h GLN 12 Cb 0.88 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.26 1fi9 h GLN 12 CO 0.19 0.04 -2.06 1.63 -0.95 0.00 0.00 178.83 177.69 1fi9 n LYS 13 N -3.43 0.60 0.00 1.46 4.01 0.93 -4.93 118.16 116.81 1fi9 n LYS 13 Ca -0.02 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 1fi9 n LYS 13 Cb 0.16 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fi9 n ALA 15 N -2.47 0.00 -0.57 0.00 0.00 -0.63 -3.59 120.51 113.25 1fi9 n ALA 15 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1fi9 n ALA 15 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1fi9 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fi9 n GLN 16 N 0.00 1.14 0.00 0.00 10.64 -1.26 -2.76 117.38 125.14 1fi9 n GLN 16 Ca 0.00 -0.25 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 1fi9 n GLN 16 Cb 0.00 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fi9 s HIS 18 N -1.00 0.89 -0.04 0.00 3.76 -1.11 -3.33 115.29 114.46 1fi9 s HIS 18 Ca 0.00 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.54 1fi9 s HIS 18 Cb 0.00 -0.52 -0.08 0.00 1.11 0.00 0.00 32.58 33.09 1fi9 s HIS 18 CO 0.00 -0.02 0.06 2.41 -0.85 0.00 0.00 174.74 176.34 1fi9 n THR 19 N 1.64 0.26 -2.81 1.30 -1.04 -1.26 -4.12 114.28 108.25 1fi9 n THR 19 Ca -0.21 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.05 61.40 1fi9 n THR 19 Cb 0.55 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1fi9 n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1fi9 n VAL 20 N -2.04 -1.14 -4.09 12.58 0.24 -1.26 -4.94 118.33 117.68 1fi9 n VAL 20 Ca -0.07 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.16 1fi9 n VAL 20 Cb 0.51 -2.46 -0.10 0.00 -1.47 0.00 0.00 33.84 30.31 1fi9 n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1fi9 s GLU 21 N -5.45 0.60 0.48 7.34 2.12 -1.26 -3.50 118.70 119.04 1fi9 s GLU 21 Ca 0.18 -1.18 0.33 0.00 0.36 0.00 0.00 54.97 54.66 1fi9 s GLU 21 Cb -0.09 0.16 1.58 0.00 0.26 0.00 0.00 34.13 36.05 1fi9 s GLU 21 CO 0.22 -0.10 1.98 1.57 -0.54 0.00 0.00 175.26 178.40 1fi9 h LYS 22 N 3.27 0.00 -0.43 4.30 5.09 -1.89 -1.22 116.57 125.69 1fi9 h LYS 22 Ca -0.34 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.33 1fi9 h LYS 22 Cb 1.15 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.44 1fi9 h LYS 22 CO 0.64 0.00 0.05 0.41 -2.09 0.00 0.00 179.45 178.46 1fi9 n GLY 23 N -0.58 3.89 3.62 0.07 0.00 -1.26 -5.01 105.19 105.92 1fi9 n GLY 23 Ca -0.01 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1fi9 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fi9 s GLY 24 N -1.62 1.05 0.46 -0.02 0.00 -0.46 -4.98 107.32 101.75 1fi9 s GLY 24 Ca 0.48 0.55 -0.21 0.00 0.00 0.00 0.00 44.72 45.53 1fi9 s GLY 24 CO 0.10 3.21 1.03 0.54 0.00 0.00 0.00 173.10 177.98 1fi9 s LYS 25 N 5.09 3.94 0.03 2.90 1.02 -1.26 -4.59 119.74 126.87 1fi9 s LYS 25 Ca 0.79 1.36 -0.30 0.00 0.02 0.00 0.00 55.97 57.84 1fi9 s LYS 25 Cb -0.27 -2.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1fi9 s LYS 25 CO 0.32 -0.31 1.14 -3.38 -0.92 0.00 0.00 175.35 172.20 1fi9 s HIS 26 N -1.93 3.47 0.02 3.18 -3.43 -1.26 -4.66 115.29 110.68 1fi9 s HIS 26 Ca 0.64 1.39 0.00 0.00 -0.80 0.00 0.00 55.06 56.30 1fi9 s HIS 26 Cb -0.17 -3.34 0.00 0.00 -1.43 0.00 0.00 32.58 27.64 1fi9 s HIS 26 CO 0.21 -0.96 0.00 1.63 -2.00 0.00 0.00 174.74 173.62 1fi9 n LYS 27 N 4.06 0.00 0.00 -0.38 5.02 -1.26 -5.03 118.16 120.57 1fi9 n LYS 27 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1fi9 n LYS 27 Cb 0.47 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fi9 n THR 28 N -2.58 0.09 -4.20 -0.18 -1.04 -1.26 -5.08 114.28 100.03 1fi9 n THR 28 Ca 0.00 0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.81 1fi9 n THR 28 Cb 0.00 -1.41 -0.07 0.00 -1.82 0.00 0.00 70.33 67.03 1fi9 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fi9 s GLY 29 N -4.93 1.77 0.72 3.41 0.00 -1.21 -5.13 107.32 101.96 1fi9 s GLY 29 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 42.89 1fi9 s GLY 29 CO 0.00 -1.72 1.08 2.56 0.00 0.00 0.00 173.10 175.02 1fi9 s PRO 30 N -3.76 2.60 0.03 2.90 0.04 -1.26 -4.74 135.00 130.81 1fi9 s PRO 30 Ca 0.34 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1fi9 s PRO 30 Cb -0.05 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1fi9 s PRO 30 CO 0.21 -1.38 1.79 0.54 0.04 0.00 0.00 177.00 178.21 1fi9 s ASN 31 N -3.33 6.54 -0.41 6.66 4.22 -1.26 -4.66 114.94 122.71 1fi9 s ASN 31 Ca 0.61 2.51 -0.04 0.00 -2.14 0.00 0.00 52.86 53.81 1fi9 s ASN 31 Cb -0.17 -2.54 -0.07 0.00 1.28 0.00 0.00 41.25 39.75 1fi9 s ASN 31 CO 0.52 -0.97 1.86 0.18 -2.04 0.00 0.00 177.10 176.65 1fi9 n LEU 32 N 6.77 3.17 -4.43 3.54 4.77 -1.26 -4.83 117.00 124.72 1fi9 n LEU 32 Ca 0.18 -2.13 -0.34 0.00 -0.03 0.00 0.00 56.01 53.69 1fi9 n LEU 32 Cb 0.41 -0.82 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1fi9 n LEU 32 CO 0.65 0.31 -0.35 -2.28 -1.33 0.00 0.00 177.39 174.39 1fi9 s HIS 33 N 3.06 3.01 -0.86 -1.77 2.46 -1.26 -4.15 115.29 115.78 1fi9 s HIS 33 Ca 0.30 -0.51 0.00 0.00 0.47 0.00 0.00 55.06 55.32 1fi9 s HIS 33 Cb 0.10 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 1fi9 s HIS 33 CO -0.01 -0.24 0.00 0.41 -2.47 0.00 0.00 174.74 172.43 1fi9 n GLY 34 N 4.12 0.66 0.39 1.59 0.00 0.34 -4.96 105.19 107.32 1fi9 n GLY 34 Ca -0.17 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1fi9 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fi9 h LEU 35 N 0.00 -0.98 -8.86 0.99 5.85 -1.78 -3.37 115.31 107.17 1fi9 h LEU 35 Ca -0.19 0.06 -0.57 0.00 0.84 0.00 0.00 57.88 58.02 1fi9 h LEU 35 Cb 0.79 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1fi9 h LEU 35 CO 0.25 -0.54 1.19 -0.36 -0.34 0.00 0.00 178.44 178.65 1fi9 s PHE 36 N -5.15 2.03 0.00 1.25 0.08 -1.26 -2.77 117.98 112.16 1fi9 s PHE 36 Ca -0.14 0.63 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1fi9 s PHE 36 Cb 0.03 -4.18 0.00 0.00 -0.57 0.00 0.00 43.02 38.29 1fi9 s PHE 36 CO 0.45 -2.62 0.00 0.41 -0.10 0.00 0.00 175.22 173.35 1fi9 n GLY 37 N 5.25 1.93 3.38 4.36 0.00 -1.24 -4.94 105.19 113.92 1fi9 n GLY 37 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1fi9 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fi9 s ARG 38 N -0.42 0.75 0.85 1.61 3.52 -1.12 -5.10 118.95 119.05 1fi9 s ARG 38 Ca 0.00 0.27 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 1fi9 s ARG 38 Cb 0.00 0.35 0.10 0.00 -1.56 0.00 0.00 34.95 33.84 1fi9 s ARG 38 CO 0.00 -0.18 1.12 0.15 -0.81 0.00 0.00 175.30 175.58 1fi9 s LYS 39 N -0.69 1.68 1.20 5.12 1.02 -1.26 -3.42 119.74 123.39 1fi9 s LYS 39 Ca -0.08 0.41 -0.19 0.00 0.02 0.00 0.00 55.97 56.13 1fi9 s LYS 39 Cb -0.03 -1.89 0.29 0.00 -0.52 0.00 0.00 37.83 35.68 1fi9 s LYS 39 CO 0.05 -1.85 1.12 0.95 -0.92 0.00 0.00 175.35 174.70 1fi9 s THR 40 N -3.27 1.60 -1.54 2.17 -4.23 0.26 -4.21 115.64 106.42 1fi9 s THR 40 Ca 0.62 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 1fi9 s THR 40 Cb -0.14 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1fi9 s THR 40 CO 0.53 0.00 0.75 0.61 -0.54 0.00 0.00 174.62 175.97 1fi9 n GLY 41 N -1.12 -0.47 2.25 3.99 0.00 -1.20 -4.80 105.19 103.84 1fi9 n GLY 41 Ca 0.14 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1fi9 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fi9 n GLN 42 N -4.25 0.92 -2.23 1.61 1.13 -1.26 -4.77 117.38 108.54 1fi9 n GLN 42 Ca 0.05 -3.18 -0.36 0.00 -1.94 0.00 0.00 57.00 51.56 1fi9 n GLN 42 Cb 0.51 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s ALA 43 N -1.89 2.80 -0.06 -1.58 0.00 -1.26 -5.00 121.76 114.77 1fi9 s ALA 43 Ca 0.37 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 1fi9 s ALA 43 Cb 0.31 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 1fi9 s ALA 43 CO -0.09 -0.77 0.53 -1.00 0.00 0.00 0.00 175.76 174.44 1fi9 h PRO 44 N 1.54 -0.27 -1.64 0.00 0.13 -1.95 -3.42 132.00 126.40 1fi9 h PRO 44 Ca -0.50 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.21 1fi9 h PRO 44 Cb 1.26 0.06 -0.35 0.00 0.13 0.00 0.00 31.00 32.10 1fi9 h PRO 44 CO 0.58 -0.02 -1.06 0.41 -0.23 0.00 0.00 178.00 177.68 1fi9 n GLY 45 N 0.90 3.02 3.08 1.56 0.00 -1.26 -5.08 105.19 107.42 1fi9 n GLY 45 Ca -0.05 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -1.87 0.11 1.21 1.61 5.36 -1.26 -5.01 117.98 118.12 1fi9 s PHE 46 Ca 0.37 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 55.91 1fi9 s PHE 46 Cb 0.33 -0.09 0.29 0.00 -0.34 0.00 0.00 43.02 43.21 1fi9 s PHE 46 CO -0.08 -0.28 1.03 -0.08 -1.46 0.00 0.00 175.22 174.35 1fi9 s THR 47 N -1.56 1.75 0.50 0.12 -1.32 -1.26 -4.76 115.64 109.11 1fi9 s THR 47 Ca -0.14 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.32 1fi9 s THR 47 Cb -0.07 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 1fi9 s THR 47 CO 0.00 0.00 0.75 -0.31 -2.21 0.00 0.00 174.62 172.86 1fi9 s TYR 48 N -2.61 3.23 -0.12 9.09 1.51 -1.26 -4.89 117.35 122.30 1fi9 s TYR 48 Ca 0.68 0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 57.05 1fi9 s TYR 48 Cb -0.18 -2.47 0.04 0.00 -0.11 0.00 0.00 41.96 39.24 1fi9 s TYR 48 CO 0.60 -0.52 0.30 0.99 -1.11 0.00 0.00 175.55 175.80 1fi9 s THR 49 N -2.71 -0.02 -0.60 -0.71 2.01 -1.26 -5.06 115.64 107.29 1fi9 s THR 49 Ca 0.50 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.48 1fi9 s THR 49 Cb -0.10 -0.44 -0.10 0.00 0.01 0.00 0.00 72.50 71.87 1fi9 s THR 49 CO 0.41 0.04 1.78 0.47 -0.69 0.00 0.00 174.62 176.62 1fi9 n ASP 50 N 3.83 2.90 0.00 3.53 9.92 -1.26 -1.73 116.55 133.74 1fi9 n ASP 50 Ca -0.21 -2.36 0.00 0.00 -0.53 0.00 0.00 54.79 51.69 1fi9 n ASP 50 Cb 0.55 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fi9 n ALA 51 N 5.66 0.00 0.06 2.24 0.00 -1.26 -4.87 120.51 122.34 1fi9 n ALA 51 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1fi9 n ALA 51 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 1fi9 n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1fi9 h ASN 52 N 0.00 -0.13 -0.82 0.00 -0.73 -1.72 -2.45 115.58 109.73 1fi9 h ASN 52 Ca 0.00 -0.26 -0.03 0.00 1.87 0.00 0.00 56.30 57.88 1fi9 h ASN 52 Cb 0.00 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 1fi9 h ASN 52 CO 0.00 0.20 0.39 0.50 -0.37 0.00 0.00 177.43 178.15 1fi9 h LYS 53 N -0.48 1.18 -0.31 6.67 3.11 -1.86 -2.61 116.57 122.27 1fi9 h LYS 53 Ca -0.02 -0.17 0.09 0.00 -2.81 0.00 0.00 60.65 57.74 1fi9 h LYS 53 Cb 0.39 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1fi9 h LYS 53 CO 0.03 0.91 0.31 -0.97 -2.81 0.00 0.00 179.45 176.91 1fi9 h ASN 54 N 1.17 0.00 0.39 4.20 -0.73 -1.77 -2.51 115.58 116.33 1fi9 h ASN 54 Ca 0.28 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.43 1fi9 h ASN 54 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1fi9 h ASN 54 CO -0.04 0.00 -0.19 0.50 -0.37 0.00 0.00 177.43 177.34 1fi9 h LYS 55 N 0.00 -0.50 -4.70 6.67 3.64 -1.04 -3.48 116.57 117.15 1fi9 h LYS 55 Ca 0.15 0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.25 1fi9 h LYS 55 Cb 0.76 0.11 0.11 0.00 -0.41 0.00 0.00 32.23 32.80 1fi9 h LYS 55 CO -0.00 -0.20 -0.52 0.41 -2.27 0.00 0.00 179.45 176.86 1fi9 n GLY 56 N 0.07 -0.21 1.69 5.01 0.00 -0.95 -5.02 105.19 105.77 1fi9 n GLY 56 Ca -0.09 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1fi9 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fi9 n ILE 57 N -4.44 0.00 -4.29 -0.61 -6.64 -1.26 -4.93 119.36 97.19 1fi9 n ILE 57 Ca 0.00 -1.14 -0.24 0.00 -1.77 0.00 0.00 62.75 59.60 1fi9 n ILE 57 Cb 0.55 0.30 -0.08 0.00 -1.44 0.00 0.00 39.64 38.97 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1fi9 s THR 58 N -2.03 3.41 -0.21 7.28 -1.32 -1.26 -0.57 115.64 120.94 1fi9 s THR 58 Ca 0.04 -1.87 -0.06 0.00 -1.21 0.00 0.00 61.69 58.59 1fi9 s THR 58 Cb 0.00 -2.80 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 1fi9 s THR 58 CO 0.03 -0.33 0.04 0.26 -2.21 0.00 0.00 174.62 172.41 1fi9 s TRP 59 N -2.22 3.10 0.15 9.09 0.52 -1.22 -4.78 118.94 123.58 1fi9 s TRP 59 Ca 0.30 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.10 1fi9 s TRP 59 Cb -0.07 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.11 1fi9 s TRP 59 CO 0.19 -0.20 0.00 1.63 0.02 0.00 0.00 176.95 178.59 1fi9 n LYS 60 N 4.35 0.00 0.00 4.98 4.76 -1.26 -3.69 118.16 127.29 1fi9 n LYS 60 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1fi9 n LYS 60 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1fi9 n GLU 61 N -2.95 0.00 0.41 1.97 0.28 -1.26 -4.98 120.64 114.11 1fi9 n GLU 61 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1fi9 n GLU 61 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 1fi9 n GLU 61 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1fi9 h GLU 62 N 0.00 -1.02 -0.52 3.44 4.22 -1.97 0.54 114.58 119.27 1fi9 h GLU 62 Ca 0.00 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1fi9 h GLU 62 Cb 0.00 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1fi9 h GLU 62 CO 0.00 -0.68 0.34 1.15 -2.18 0.00 0.00 179.01 177.64 1fi9 h THR 63 N -1.06 1.13 -0.76 0.32 2.02 -1.96 -2.86 112.91 109.74 1fi9 h THR 63 Ca -0.10 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 66.92 1fi9 h THR 63 Cb 0.82 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1fi9 h THR 63 CO 0.16 0.13 0.42 0.25 0.37 0.00 0.00 175.52 176.84 1fi9 h LEU 64 N 0.70 0.58 -0.54 2.58 6.46 -1.80 0.73 115.31 124.02 1fi9 h LEU 64 Ca 0.19 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 58.11 1fi9 h LEU 64 Cb -0.08 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.70 1fi9 h LEU 64 CO -0.04 0.34 -0.05 0.24 -0.62 0.00 0.00 178.44 178.30 1fi9 h MET 65 N 0.71 0.07 -0.06 1.25 2.86 0.32 0.85 114.93 120.93 1fi9 h MET 65 Ca 0.37 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.94 1fi9 h MET 65 Cb 0.35 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1fi9 h MET 65 CO -0.25 0.04 -0.21 0.93 1.06 0.00 0.00 176.91 178.49 1fi9 h GLU 66 N 0.07 0.24 -0.79 1.72 5.08 -1.35 -2.37 114.58 117.17 1fi9 h GLU 66 Ca 0.27 -0.18 0.19 0.00 -1.00 0.00 0.00 59.36 58.64 1fi9 h GLU 66 Cb 0.42 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 1fi9 h GLU 66 CO -0.50 0.81 0.10 -0.92 -1.00 0.00 0.00 179.01 177.51 1fi9 h TYR 67 N -0.28 0.12 -0.15 4.33 3.20 0.20 0.52 116.97 124.91 1fi9 h TYR 67 Ca -0.01 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1fi9 h TYR 67 Cb 0.84 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 1fi9 h TYR 67 CO 0.13 -0.21 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.28 1fi9 h LEU 68 N 0.16 0.34 -1.70 2.82 3.38 -0.92 -2.62 115.31 116.77 1fi9 h LEU 68 Ca 0.46 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fi9 h LEU 68 Cb 0.84 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1fi9 h LEU 68 CO -0.64 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 1fi9 n GLU 69 N -4.62 2.11 -2.66 1.13 1.02 0.10 -4.04 120.64 113.68 1fi9 n GLU 69 Ca -0.06 -0.91 -0.03 0.00 -0.02 0.00 0.00 57.16 56.14 1fi9 n GLU 69 Cb 0.31 -1.70 0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fi9 n ASN 70 N 0.18 -1.19 -0.00 1.62 3.02 0.16 -4.75 115.26 114.30 1fi9 n ASN 70 Ca 0.08 -1.79 -0.06 0.00 -0.03 0.00 0.00 54.58 52.78 1fi9 n ASN 70 Cb 0.51 1.11 0.14 0.00 -0.61 0.00 0.00 39.78 40.93 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fi9 h PRO 71 N 1.92 0.54 -2.17 3.52 0.13 -1.66 -3.01 132.00 131.28 1fi9 h PRO 71 Ca -0.38 -0.25 -0.66 0.00 -0.87 0.00 0.00 66.00 63.84 1fi9 h PRO 71 Cb 1.22 -0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1fi9 h PRO 71 CO -0.05 0.81 1.09 0.36 -0.23 0.00 0.00 178.00 179.98 1fi9 n LYS 72 N -4.06 3.42 0.08 0.86 0.00 -1.26 -4.24 118.16 112.96 1fi9 n LYS 72 Ca -0.01 -3.22 0.00 0.00 -0.00 0.00 0.00 58.31 55.08 1fi9 n LYS 72 Cb 0.48 -2.33 0.00 0.00 -0.00 0.00 0.00 35.03 33.18 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1fi9 n LYS 73 N 0.57 0.00 0.17 -1.58 4.81 -1.14 -4.84 118.16 116.16 1fi9 n LYS 73 Ca 0.53 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.83 1fi9 n LYS 73 Cb 0.36 -0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.33 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fi9 h TYR 74 N 0.00 -0.37 -2.75 5.64 -1.99 -1.74 -3.40 116.97 112.36 1fi9 h TYR 74 Ca 0.00 -0.01 -0.58 0.00 2.00 0.00 0.00 58.73 60.14 1fi9 h TYR 74 Cb 0.00 0.12 -0.39 0.00 2.00 0.00 0.00 36.73 38.46 1fi9 h TYR 74 CO 0.00 -0.14 -0.81 0.96 -0.00 0.00 0.00 178.16 178.17 1fi9 s ILE 75 N -5.56 0.52 -1.07 -2.88 -4.36 -1.26 -5.05 121.20 101.54 1fi9 s ILE 75 Ca -0.15 -1.84 -0.19 0.00 -0.26 0.00 0.00 60.65 58.21 1fi9 s ILE 75 Cb 0.04 -1.38 -0.07 0.00 1.25 0.00 0.00 42.46 42.29 1fi9 s ILE 75 CO 0.61 -0.92 2.04 -0.81 0.24 0.00 0.00 174.94 176.10 1fi9 n PRO 76 N 4.06 2.08 0.00 0.37 -0.04 -1.26 -3.56 135.00 136.65 1fi9 n PRO 76 Ca 0.09 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1fi9 n PRO 76 Cb 0.37 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 1fi9 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 77 N 4.44 -0.58 0.81 0.55 0.00 -1.26 -5.07 105.19 104.09 1fi9 n GLY 77 Ca 0.50 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1fi9 n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fi9 n THR 78 N 0.00 0.00 0.00 2.61 5.66 -1.23 -4.73 114.28 116.58 1fi9 n THR 78 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fi9 n THR 78 Cb 0.00 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1fi9 n LYS 79 N -2.76 0.00 -2.90 1.09 0.00 -1.26 -5.09 118.16 107.23 1fi9 n LYS 79 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1fi9 n LYS 79 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.47 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1fi9 n MET 80 N -0.46 -2.56 0.00 -1.58 1.56 -1.26 -5.06 117.12 107.76 1fi9 n MET 80 Ca 0.00 2.18 0.00 0.00 -0.27 0.00 0.00 57.70 59.61 1fi9 n MET 80 Cb 0.00 -4.91 0.00 0.00 2.15 0.00 0.00 33.22 30.46 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1fi9 n ILE 81 N 0.13 0.00 -0.82 1.12 -5.35 -1.26 -5.02 119.36 108.16 1fi9 n ILE 81 Ca 0.05 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.19 1fi9 n ILE 81 Cb 0.34 -0.67 0.11 0.00 -1.74 0.00 0.00 39.64 37.69 1fi9 n ILE 81 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1fi9 n PHE 82 N 0.00 -2.12 -0.14 4.28 1.16 -1.26 -4.89 117.46 114.48 1fi9 n PHE 82 Ca 0.00 0.20 -0.13 0.00 -1.87 0.00 0.00 57.45 55.65 1fi9 n PHE 82 Cb 0.00 -1.62 -0.08 0.00 -1.61 0.00 0.00 39.48 36.16 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fi9 h ALA 83 N -1.54 -0.68 -1.41 1.98 0.00 -1.97 -3.46 119.26 112.18 1fi9 h ALA 83 Ca -0.46 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.60 1fi9 h ALA 83 Cb 1.32 1.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.15 1fi9 h ALA 83 CO 0.32 -1.00 0.34 0.41 0.00 0.00 0.00 179.25 179.32 1fi9 n GLY 84 N -1.39 0.36 3.62 0.00 0.00 -1.26 -4.23 105.19 102.30 1fi9 n GLY 84 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1fi9 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fi9 s ILE 85 N -2.04 2.24 0.18 -0.61 -1.09 -1.26 -4.94 121.20 113.69 1fi9 s ILE 85 Ca 0.11 0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.44 1fi9 s ILE 85 Cb -0.00 -2.24 0.14 0.00 -1.58 0.00 0.00 42.46 38.78 1fi9 s ILE 85 CO -0.01 -0.10 1.63 0.11 -1.23 0.00 0.00 174.94 175.34 1fi9 h LYS 86 N -2.05 -0.07 0.00 2.79 1.57 -1.99 -3.47 116.57 113.35 1fi9 h LYS 86 Ca -0.51 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1fi9 h LYS 86 Cb 1.29 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1fi9 h LYS 86 CO 0.48 -0.05 0.37 0.36 -0.57 0.00 0.00 179.45 180.04 1fi9 n LYS 87 N -5.39 0.12 -0.09 3.15 2.85 -1.26 -5.04 118.16 112.49 1fi9 n LYS 87 Ca 0.04 -0.39 -0.06 0.00 -1.05 0.00 0.00 58.31 56.85 1fi9 n LYS 87 Cb 0.30 0.61 0.01 0.00 -0.65 0.00 0.00 35.03 35.30 1fi9 n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1fi9 h LYS 88 N 0.00 0.08 0.00 -1.58 3.64 -1.99 -1.23 116.57 115.50 1fi9 h LYS 88 Ca -0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1fi9 h LYS 88 Cb 0.51 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1fi9 h LYS 88 CO 0.14 0.06 0.00 2.41 -2.27 0.00 0.00 179.45 179.78 1fi9 n THR 89 N -5.18 0.00 -0.27 1.00 -1.04 -1.26 -0.27 114.28 107.26 1fi9 n THR 89 Ca 0.01 1.50 0.01 0.00 -2.04 0.00 0.00 64.05 63.52 1fi9 n THR 89 Cb 0.18 -2.12 0.08 0.00 -1.82 0.00 0.00 70.33 66.64 1fi9 n THR 89 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1fi9 h GLU 90 N 0.00 -0.03 -0.80 -2.82 3.07 -1.94 -0.66 114.58 111.40 1fi9 h GLU 90 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1fi9 h GLU 90 Cb 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 1fi9 h GLU 90 CO 0.00 -0.02 0.48 -0.09 -1.40 0.00 0.00 179.01 177.98 1fi9 h ARG 91 N -0.03 0.85 0.31 2.33 2.43 -0.21 0.16 114.38 120.21 1fi9 h ARG 91 Ca 0.35 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1fi9 h ARG 91 Cb 0.57 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1fi9 h ARG 91 CO -0.80 0.56 -0.15 1.49 -1.51 0.00 0.00 179.97 179.56 1fi9 h GLU 92 N 0.87 -0.40 -0.51 0.20 4.22 0.77 -0.13 114.58 119.61 1fi9 h GLU 92 Ca 0.36 0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.93 1fi9 h GLU 92 Cb 0.20 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1fi9 h GLU 92 CO -0.18 -0.18 -0.10 -0.44 -2.18 0.00 0.00 179.01 175.93 1fi9 h ASP 93 N -0.54 -0.42 -0.11 1.04 3.32 -0.78 0.15 116.42 119.08 1fi9 h ASP 93 Ca -0.04 0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1fi9 h ASP 93 Cb 0.40 0.30 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 1fi9 h ASP 93 CO 0.07 -0.15 -0.53 0.25 -1.72 0.00 0.00 179.24 177.16 1fi9 h LEU 94 N 0.02 -1.68 -1.02 1.55 6.46 -0.36 -0.01 115.31 120.27 1fi9 h LEU 94 Ca 0.25 0.20 0.18 0.00 -0.12 0.00 0.00 57.88 58.39 1fi9 h LEU 94 Cb 0.38 0.66 -0.10 0.00 -0.73 0.00 0.00 40.66 40.87 1fi9 h LEU 94 CO -0.51 -0.49 0.62 0.40 -0.62 0.00 0.00 178.44 177.84 1fi9 h ILE 95 N -0.59 0.73 -0.07 4.05 5.03 -0.20 0.24 117.51 126.70 1fi9 h ILE 95 Ca 0.03 -0.27 0.03 0.00 -0.12 0.00 0.00 64.86 64.53 1fi9 h ILE 95 Cb 0.69 -0.12 -0.03 0.00 -3.03 0.00 0.00 36.82 34.32 1fi9 h ILE 95 CO -0.42 0.14 -0.12 0.00 -0.68 0.00 0.00 178.15 177.07 1fi9 h ALA 96 N 1.63 -0.08 0.98 1.87 0.00 0.11 0.26 119.26 124.03 1fi9 h ALA 96 Ca 0.57 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 1fi9 h ALA 96 Cb 0.86 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1fi9 h ALA 96 CO -0.36 -0.59 -0.47 -0.92 0.00 0.00 0.00 179.25 176.90 1fi9 h TYR 97 N -0.18 -1.22 -0.94 0.00 3.20 -0.37 -3.14 116.97 114.33 1fi9 h TYR 97 Ca 0.07 -0.03 0.27 0.00 3.14 0.00 0.00 58.73 62.18 1fi9 h TYR 97 Cb 0.27 0.40 -0.16 0.00 1.54 0.00 0.00 36.73 38.78 1fi9 h TYR 97 CO -0.22 -0.76 0.16 1.25 -1.64 0.00 0.00 178.16 176.96 1fi9 h LEU 98 N -1.32 -0.21 -0.47 2.82 6.46 -0.82 0.96 115.31 122.73 1fi9 h LEU 98 Ca -0.13 0.24 0.09 0.00 -0.12 0.00 0.00 57.88 57.96 1fi9 h LEU 98 Cb 1.01 0.37 -0.10 0.00 -0.73 0.00 0.00 40.66 41.21 1fi9 h LEU 98 CO 0.22 -0.28 -0.34 0.11 -0.62 0.00 0.00 178.44 177.52 1fi9 h LYS 99 N 0.08 -0.22 0.15 1.25 1.57 -0.44 0.16 116.57 119.13 1fi9 h LYS 99 Ca 0.60 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.39 1fi9 h LYS 99 Cb 1.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1fi9 h LYS 99 CO -0.79 -0.15 -0.07 -0.22 -0.57 0.00 0.00 179.45 177.65 1fi9 h LYS 100 N -0.23 -0.19 0.26 3.15 1.63 -1.18 -3.23 116.57 116.79 1fi9 h LYS 100 Ca 0.19 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1fi9 h LYS 100 Cb 0.55 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1fi9 h LYS 100 CO -0.60 0.22 -0.23 0.00 -3.45 0.00 0.00 179.45 175.39 1fi9 h ALA 101 N 0.05 -0.49 -0.13 5.00 0.00 0.16 0.10 119.26 123.94 1fi9 h ALA 101 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1fi9 h ALA 101 Cb 0.50 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1fi9 h ALA 101 CO 0.03 -0.80 -0.10 1.79 0.00 0.00 0.00 179.25 180.18 1fi9 h THR 102 N -0.51 1.15 0.78 0.00 1.35 -0.75 -2.29 112.91 112.63 1fi9 h THR 102 Ca -0.01 -0.64 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 1fi9 h THR 102 Cb 0.46 1.16 0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1fi9 h THR 102 CO -0.03 0.20 -0.38 -1.13 -0.25 0.00 0.00 175.52 173.93 1fi9 h ASN 103 N 0.19 -0.89 0.00 5.36 -0.73 -1.14 0.99 115.58 119.35 1fi9 h ASN 103 Ca 0.04 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1fi9 h ASN 103 Cb 0.30 0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1fi9 h ASN 103 CO 0.02 -0.57 0.00 -0.62 -0.37 0.00 0.00 177.43 175.88