#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 7.15 0.18 1.61 2.15 -1.26 -4.69 116.67 121.81 1fi9 s ASP 2 Ca 0.00 1.83 -0.12 0.00 0.43 0.00 0.00 52.55 54.69 1fi9 s ASP 2 Cb 0.00 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.15 1fi9 s ASP 2 CO 0.00 -0.46 1.81 0.58 -0.17 0.00 0.00 175.17 176.93 1fi9 h VAL 3 N 4.79 1.19 0.65 1.11 2.07 -1.84 0.11 116.25 124.33 1fi9 h VAL 3 Ca -0.38 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1fi9 h VAL 3 Cb 1.19 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1fi9 h VAL 3 CO 0.83 0.20 -0.31 -0.33 0.02 0.00 0.00 177.57 177.98 1fi9 h GLU 4 N 0.84 -0.84 -0.94 1.57 4.39 -1.92 0.13 114.58 117.81 1fi9 h GLU 4 Ca 0.22 0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.04 1fi9 h GLU 4 Cb 0.01 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1fi9 h GLU 4 CO -0.04 -0.53 0.60 0.87 -1.16 0.00 0.00 179.01 178.75 1fi9 h LYS 5 N -1.14 1.06 -0.68 2.33 1.57 -1.92 -0.33 116.57 117.46 1fi9 h LYS 5 Ca -0.09 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1fi9 h LYS 5 Cb 0.70 -0.24 -0.11 0.00 0.08 0.00 0.00 32.23 32.67 1fi9 h LYS 5 CO 0.15 0.70 0.10 0.78 -0.57 0.00 0.00 179.45 180.61 1fi9 h GLY 6 N 1.09 0.85 0.99 3.86 0.00 -0.56 0.30 103.07 109.60 1fi9 h GLY 6 Ca 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1fi9 h GLY 6 CO -0.17 -0.19 -0.17 1.70 0.00 0.00 0.00 176.54 177.71 1fi9 h LYS 7 N 0.21 -0.45 -0.67 4.80 3.64 0.84 -0.09 116.57 124.85 1fi9 h LYS 7 Ca 0.37 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1fi9 h LYS 7 Cb 0.61 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1fi9 h LYS 7 CO -0.51 -0.29 0.28 0.87 -2.27 0.00 0.00 179.45 177.53 1fi9 h LYS 8 N -0.48 0.98 0.90 1.90 1.79 -0.28 -0.72 116.57 120.66 1fi9 h LYS 8 Ca -0.05 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 1fi9 h LYS 8 Cb 0.36 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1fi9 h LYS 8 CO 0.08 0.79 -0.49 0.82 -1.08 0.00 0.00 179.45 179.57 1fi9 h ILE 9 N 0.97 0.02 -0.44 1.86 2.04 -0.26 -0.53 117.51 121.16 1fi9 h ILE 9 Ca 0.23 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1fi9 h ILE 9 Cb 0.17 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.17 1fi9 h ILE 9 CO -0.02 0.00 -0.24 0.15 0.00 0.00 0.00 178.15 178.04 1fi9 h PHE 10 N -1.28 -0.61 -0.63 1.37 3.57 -0.60 0.23 116.94 118.99 1fi9 h PHE 10 Ca -0.12 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.56 1fi9 h PHE 10 Cb 1.00 0.34 -0.12 0.00 2.79 0.00 0.00 35.95 39.96 1fi9 h PHE 10 CO -0.06 -0.32 -0.12 0.28 -2.23 0.00 0.00 178.31 175.87 1fi9 h VAL 11 N -0.15 0.40 0.00 1.41 2.07 -1.06 0.91 116.25 119.83 1fi9 h VAL 11 Ca 0.21 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1fi9 h VAL 11 Cb 0.48 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1fi9 h VAL 11 CO -0.53 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 176.78 1fi9 n GLN 12 N -5.40 0.04 -0.02 1.57 1.13 -0.19 -4.31 117.38 110.20 1fi9 n GLN 12 Ca 0.08 0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 55.12 1fi9 n GLN 12 Cb 0.34 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fi9 n LYS 13 N -1.59 0.24 0.00 -1.09 4.01 0.64 -4.98 118.16 115.39 1fi9 n LYS 13 Ca 0.06 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1fi9 n LYS 13 Cb 0.35 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.99 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fi9 h ALA 15 N 0.00 1.24 0.00 0.00 0.00 -1.25 -0.07 119.26 119.18 1fi9 h ALA 15 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1fi9 h ALA 15 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1fi9 h ALA 15 CO 0.00 -0.42 -0.25 1.96 0.00 0.00 0.00 179.25 180.54 1fi9 h GLN 16 N 0.26 0.00 0.14 0.00 4.20 -1.86 -3.19 115.11 114.66 1fi9 h GLN 16 Ca 0.53 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 59.04 1fi9 h GLN 16 Cb 1.02 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.82 1fi9 h GLN 16 CO -0.60 0.25 -0.90 0.00 -0.67 0.00 0.00 178.83 176.90 1fi9 n HIS 18 N -4.09 -0.14 0.03 0.00 8.25 -1.13 -0.94 115.22 117.20 1fi9 n HIS 18 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1fi9 n HIS 18 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 1fi9 n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1fi9 n THR 19 N -0.06 0.00 -3.74 1.59 -1.04 -1.26 -4.88 114.28 104.89 1fi9 n THR 19 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1fi9 n THR 19 Cb 0.00 -0.25 0.06 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.66 -2.62 -4.13 12.58 0.24 -1.26 -4.87 118.33 115.61 1fi9 n VAL 20 Ca 0.00 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 1fi9 n VAL 20 Cb 0.00 -3.50 -0.09 0.00 -1.47 0.00 0.00 33.84 28.78 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1fi9 s GLU 21 N -6.44 1.13 -0.16 7.34 4.04 -1.26 -4.31 118.70 119.04 1fi9 s GLU 21 Ca 0.61 -1.47 0.01 0.00 0.04 0.00 0.00 54.97 54.16 1fi9 s GLU 21 Cb -0.29 0.29 0.22 0.00 0.02 0.00 0.00 34.13 34.37 1fi9 s GLU 21 CO 0.77 -0.37 1.37 0.36 -1.84 0.00 0.00 175.26 175.55 1fi9 n LYS 22 N -0.21 1.44 -2.72 -4.83 0.00 -1.26 -3.23 118.16 107.34 1fi9 n LYS 22 Ca -0.02 -1.03 -0.02 0.00 -0.00 0.00 0.00 58.31 57.25 1fi9 n LYS 22 Cb 0.64 -1.40 0.11 0.00 -0.00 0.00 0.00 35.03 34.38 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N 0.00 1.96 3.51 2.58 0.00 -1.26 -5.14 105.19 106.85 1fi9 n GLY 23 Ca 0.20 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1fi9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLY 24 N -1.25 -1.18 3.39 -0.02 0.00 -1.20 -5.05 105.19 99.89 1fi9 n GLY 24 Ca -0.10 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fi9 s LYS 25 N -2.81 1.55 -1.51 1.61 1.02 -1.26 -5.05 119.74 113.29 1fi9 s LYS 25 Ca 0.69 -1.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.72 1fi9 s LYS 25 Cb -0.36 -0.60 -0.06 0.00 -0.52 0.00 0.00 37.83 36.28 1fi9 s LYS 25 CO 0.55 -0.24 2.71 0.72 -0.92 0.00 0.00 175.35 178.17 1fi9 n HIS 26 N -0.59 2.58 -2.93 3.18 8.25 -1.26 -4.68 115.22 119.77 1fi9 n HIS 26 Ca -0.01 -2.95 -0.21 0.00 -0.26 0.00 0.00 57.72 54.29 1fi9 n HIS 26 Cb 0.66 -2.43 0.02 0.00 1.12 0.00 0.00 29.99 29.36 1fi9 n HIS 26 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1fi9 s LYS 27 N 2.58 2.86 0.18 -0.41 1.02 -1.26 -5.02 119.74 119.68 1fi9 s LYS 27 Ca 0.62 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.74 1fi9 s LYS 27 Cb 0.16 -2.59 0.17 0.00 -0.52 0.00 0.00 37.83 35.06 1fi9 s LYS 27 CO -0.06 -0.38 1.72 1.15 -0.92 0.00 0.00 175.35 176.85 1fi9 h THR 28 N 0.37 0.73 -3.33 2.17 2.02 -1.91 -3.38 112.91 109.59 1fi9 h THR 28 Ca -0.44 -0.08 -0.56 0.00 0.77 0.00 0.00 66.41 66.10 1fi9 h THR 28 Cb 1.27 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 1fi9 h THR 28 CO 0.54 0.04 0.36 -0.83 0.37 0.00 0.00 175.52 175.99 1fi9 s GLY 29 N -3.00 2.40 0.55 2.16 0.00 -0.11 -5.01 107.32 104.30 1fi9 s GLY 29 Ca -0.13 0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 1fi9 s GLY 29 CO 0.72 1.61 1.37 2.56 0.00 0.00 0.00 173.10 179.37 1fi9 s PRO 30 N 1.64 3.13 -0.58 2.90 0.04 -1.26 -4.33 135.00 136.55 1fi9 s PRO 30 Ca 0.42 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 1fi9 s PRO 30 Cb -0.18 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1fi9 s PRO 30 CO 0.17 -1.20 2.14 1.21 0.04 0.00 0.00 177.00 179.36 1fi9 s ASN 31 N -0.92 4.81 0.00 6.66 2.47 -1.26 -4.33 114.94 122.37 1fi9 s ASN 31 Ca 0.71 0.61 0.00 0.00 0.42 0.00 0.00 52.86 54.61 1fi9 s ASN 31 Cb -0.41 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 36.87 1fi9 s ASN 31 CO 0.49 -2.70 1.53 0.18 -3.72 0.00 0.00 177.10 172.87 1fi9 n LEU 32 N 14.55 4.20 -3.62 3.21 4.77 -1.26 -4.67 117.00 134.17 1fi9 n LEU 32 Ca 0.30 -1.94 -0.41 0.00 -0.03 0.00 0.00 56.01 53.93 1fi9 n LEU 32 Cb 0.53 -0.84 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1fi9 n LEU 32 CO 0.70 0.77 2.74 1.57 -1.33 0.00 0.00 177.39 181.84 1fi9 n HIS 33 N 1.17 3.07 0.00 -1.77 -0.00 -1.26 -2.93 115.22 113.50 1fi9 n HIS 33 Ca 0.00 -2.83 0.00 0.00 0.46 0.00 0.00 57.72 55.35 1fi9 n HIS 33 Cb 0.47 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 4.05 0.00 0.21 1.57 0.00 -1.01 -4.94 105.19 105.07 1fi9 n GLY 34 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.38 -4.99 0.99 5.85 -1.78 -3.36 115.31 111.64 1fi9 h LEU 35 Ca 0.00 -0.13 -0.50 0.00 0.84 0.00 0.00 57.88 58.09 1fi9 h LEU 35 Cb 0.00 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.14 1fi9 h LEU 35 CO 0.00 0.07 2.82 0.49 -0.34 0.00 0.00 178.44 181.48 1fi9 n PHE 36 N -5.09 1.71 0.00 1.25 3.72 -1.26 -2.78 117.46 115.01 1fi9 n PHE 36 Ca -0.08 -2.47 0.00 0.00 -0.05 0.00 0.00 57.45 54.86 1fi9 n PHE 36 Cb 0.25 -2.08 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 1fi9 n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fi9 n GLY 37 N 3.47 0.00 3.54 1.37 0.00 -1.26 -4.95 105.19 107.36 1fi9 n GLY 37 Ca 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 1fi9 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fi9 s ARG 38 N 0.00 1.41 0.84 1.61 0.52 -1.12 -5.10 118.95 117.11 1fi9 s ARG 38 Ca 0.00 -0.89 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 1fi9 s ARG 38 Cb 0.00 0.52 0.12 0.00 0.52 0.00 0.00 34.95 36.11 1fi9 s ARG 38 CO 0.00 -0.60 1.19 0.15 0.02 0.00 0.00 175.30 176.06 1fi9 s LYS 39 N -3.88 1.54 0.00 3.54 3.01 -1.26 -3.70 119.74 118.98 1fi9 s LYS 39 Ca 0.10 -0.21 0.00 0.00 -1.01 0.00 0.00 55.97 54.85 1fi9 s LYS 39 Cb -0.01 -1.98 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 1fi9 s LYS 39 CO -0.02 -1.80 0.30 0.25 0.51 0.00 0.00 175.35 174.59 1fi9 n THR 40 N -3.37 0.00 -0.34 2.17 -2.24 -0.92 -4.37 114.28 105.21 1fi9 n THR 40 Ca 0.11 0.80 -0.05 0.00 -2.27 0.00 0.00 64.05 62.63 1fi9 n THR 40 Cb 0.60 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.27 1fi9 n THR 40 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1fi9 h GLY 41 N 0.00 -0.25 -1.74 3.38 0.00 -1.81 -3.44 103.07 99.20 1fi9 h GLY 41 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1fi9 h GLY 41 CO 0.00 -0.14 0.00 -1.06 0.00 0.00 0.00 176.54 175.34 1fi9 n GLN 42 N -5.41 0.00 -3.81 4.80 1.13 -1.26 -4.81 117.38 108.02 1fi9 n GLN 42 Ca 0.06 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.80 1fi9 n GLN 42 Cb 0.36 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.60 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 -0.41 3.81 -1.24 -1.58 0.00 -1.26 -5.02 121.76 116.06 1fi9 s ALA 43 Ca 0.00 -3.65 -0.19 0.00 0.00 0.00 0.00 51.96 48.11 1fi9 s ALA 43 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1fi9 s ALA 43 CO 0.00 -2.10 1.86 -0.35 0.00 0.00 0.00 175.76 175.17 1fi9 n PRO 44 N 2.50 2.54 -2.07 0.00 -0.04 -1.26 -3.82 135.00 132.85 1fi9 n PRO 44 Ca 0.16 -2.86 -0.03 0.00 -0.04 0.00 0.00 63.50 60.73 1fi9 n PRO 44 Cb 0.35 -3.51 0.01 0.00 -0.04 0.00 0.00 33.50 30.31 1fi9 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 45 N 5.33 -0.18 3.32 0.55 0.00 -1.26 -5.09 105.19 107.86 1fi9 n GLY 45 Ca 0.48 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.07 -0.25 -0.55 1.61 5.36 -1.25 -5.04 117.98 114.79 1fi9 s PHE 46 Ca 0.09 0.17 -0.21 0.00 -0.96 0.00 0.00 56.93 56.02 1fi9 s PHE 46 Cb -0.01 0.22 0.06 0.00 -0.34 0.00 0.00 43.02 42.95 1fi9 s PHE 46 CO 0.26 -0.59 0.76 0.99 -1.46 0.00 0.00 175.22 175.18 1fi9 s THR 47 N -2.67 4.67 0.40 0.12 2.01 -1.26 -4.93 115.64 113.98 1fi9 s THR 47 Ca -0.04 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.69 1fi9 s THR 47 Cb -0.00 -4.44 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1fi9 s THR 47 CO -0.04 -1.01 0.43 -0.72 -0.69 0.00 0.00 174.62 172.59 1fi9 s TYR 48 N 3.16 2.79 -0.10 4.92 1.13 -1.26 -5.08 117.35 122.90 1fi9 s TYR 48 Ca 0.19 -0.43 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 1fi9 s TYR 48 Cb -0.18 -2.17 -0.03 0.00 -1.10 0.00 0.00 41.96 38.48 1fi9 s TYR 48 CO 0.13 -0.16 -0.02 0.95 -2.51 0.00 0.00 175.55 173.93 1fi9 s THR 49 N -2.40 4.09 -0.99 -3.49 -4.23 -1.26 -5.03 115.64 102.33 1fi9 s THR 49 Ca 0.49 -0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1fi9 s THR 49 Cb -0.06 -2.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.94 1fi9 s THR 49 CO 0.29 0.57 1.93 -0.67 -0.54 0.00 0.00 174.62 176.20 1fi9 n ASP 50 N 2.59 2.93 0.00 3.99 2.03 -1.26 -2.22 116.55 124.61 1fi9 n ASP 50 Ca -0.18 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.42 1fi9 n ASP 50 Cb 0.53 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fi9 n ALA 51 N 10.14 0.00 0.05 -1.67 0.00 -1.26 -4.88 120.51 122.89 1fi9 n ALA 51 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.79 1fi9 n ALA 51 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.04 -0.29 0.00 -1.24 -1.77 0.46 115.58 112.70 1fi9 h ASN 52 Ca 0.00 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.02 1fi9 h ASN 52 Cb 0.00 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 1fi9 h ASN 52 CO 0.00 0.01 0.02 0.50 -1.29 0.00 0.00 177.43 176.66 1fi9 h LYS 53 N -0.08 0.10 -0.90 6.67 3.11 -1.88 -2.07 116.57 121.52 1fi9 h LYS 53 Ca -0.00 -0.01 0.25 0.00 -2.81 0.00 0.00 60.65 58.08 1fi9 h LYS 53 Cb 0.07 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.24 1fi9 h LYS 53 CO 0.01 0.07 0.64 -0.97 -2.81 0.00 0.00 179.45 176.38 1fi9 h ASN 54 N 0.11 0.08 -0.52 4.20 -0.73 -1.66 0.12 115.58 117.18 1fi9 h ASN 54 Ca 0.14 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.38 1fi9 h ASN 54 Cb 0.17 -0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.70 1fi9 h ASN 54 CO -0.21 0.03 0.23 0.50 -0.37 0.00 0.00 177.43 177.60 1fi9 h LYS 55 N 0.08 0.43 -6.34 6.67 3.64 -0.19 -3.47 116.57 117.40 1fi9 h LYS 55 Ca 0.44 -0.03 -0.48 0.00 -1.27 0.00 0.00 60.65 59.32 1fi9 h LYS 55 Cb 1.61 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1fi9 h LYS 55 CO -0.04 0.28 -0.80 0.41 -2.27 0.00 0.00 179.45 177.03 1fi9 n GLY 56 N -1.26 -0.40 3.67 5.01 0.00 0.42 -4.99 105.19 107.63 1fi9 n GLY 56 Ca 0.05 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1fi9 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fi9 s ILE 57 N -3.47 3.59 0.55 -0.61 -4.36 -1.26 -4.93 121.20 110.71 1fi9 s ILE 57 Ca 0.43 -1.82 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1fi9 s ILE 57 Cb -0.22 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.59 1fi9 s ILE 57 CO 0.85 -0.36 0.81 0.42 0.24 0.00 0.00 174.94 176.91 1fi9 s THR 58 N -2.26 3.30 0.13 8.37 -4.23 -1.26 -2.17 115.64 117.51 1fi9 s THR 58 Ca 0.31 -0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1fi9 s THR 58 Cb -0.07 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1fi9 s THR 58 CO 0.20 -0.24 -0.25 0.26 -0.54 0.00 0.00 174.62 174.06 1fi9 s TRP 59 N -2.83 2.35 0.22 3.99 0.52 -1.24 -4.78 118.94 117.16 1fi9 s TRP 59 Ca 0.54 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.30 1fi9 s TRP 59 Cb -0.10 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 1fi9 s TRP 59 CO 0.41 0.36 0.00 0.36 0.02 0.00 0.00 176.95 178.10 1fi9 n LYS 60 N 0.84 0.00 0.00 4.98 2.85 -1.26 -4.35 118.16 121.22 1fi9 n LYS 60 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1fi9 n LYS 60 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1fi9 n GLU 61 N -2.95 0.00 0.15 -1.58 0.28 -1.26 -4.99 120.64 110.29 1fi9 n GLU 61 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 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 -0.70 -0.47 3.44 4.57 -1.97 0.11 114.58 119.56 1fi9 h GLU 62 Ca 0.00 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1fi9 h GLU 62 Cb 0.00 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 1fi9 h GLU 62 CO 0.00 -0.47 0.17 1.79 -1.18 0.00 0.00 179.01 179.32 1fi9 h THR 63 N -0.73 0.85 -0.38 0.32 1.35 -1.95 -1.09 112.91 111.27 1fi9 h THR 63 Ca 0.00 -0.12 0.07 0.00 -0.55 0.00 0.00 66.41 65.82 1fi9 h THR 63 Cb 0.72 0.48 -0.07 0.00 -1.73 0.00 0.00 68.15 67.55 1fi9 h THR 63 CO -0.22 0.06 -0.04 -0.07 -0.25 0.00 0.00 175.52 175.00 1fi9 h LEU 64 N 0.34 -0.24 -1.04 3.87 4.07 -1.82 -0.11 115.31 120.38 1fi9 h LEU 64 Ca 0.22 0.10 0.19 0.00 0.08 0.00 0.00 57.88 58.48 1fi9 h LEU 64 Cb 0.22 0.19 -0.11 0.00 1.08 0.00 0.00 40.66 42.05 1fi9 h LEU 64 CO -0.22 -0.08 0.61 0.24 -1.08 0.00 0.00 178.44 177.91 1fi9 h MET 65 N 0.05 0.71 0.02 1.13 2.86 0.55 0.15 114.93 120.40 1fi9 h MET 65 Ca 0.19 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1fi9 h MET 65 Cb 0.27 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1fi9 h MET 65 CO -0.35 0.47 -0.01 0.93 1.06 0.00 0.00 176.91 179.01 1fi9 h GLU 66 N 0.73 -0.03 -0.44 1.72 5.08 -1.21 -2.64 114.58 117.79 1fi9 h GLU 66 Ca 0.58 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.02 1fi9 h GLU 66 Cb 0.94 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1fi9 h GLU 66 CO -0.37 0.64 0.01 -0.92 -1.00 0.00 0.00 179.01 177.36 1fi9 h TYR 67 N -0.75 -0.01 -0.40 4.33 3.20 0.21 0.13 116.97 123.68 1fi9 h TYR 67 Ca -0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1fi9 h TYR 67 Cb 0.68 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1fi9 h TYR 67 CO 0.16 -0.08 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.44 1fi9 h LEU 68 N 0.12 0.78 -0.27 2.82 3.38 -0.90 -2.91 115.31 118.33 1fi9 h LEU 68 Ca 0.22 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1fi9 h LEU 68 Cb 0.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1fi9 h LEU 68 CO -0.36 0.96 0.00 1.21 0.09 0.00 0.00 178.44 180.34 1fi9 n GLU 69 N -4.34 1.17 -2.71 1.13 2.13 -0.61 -3.48 120.64 113.94 1fi9 n GLU 69 Ca -0.01 -0.27 -0.08 0.00 0.66 0.00 0.00 57.16 57.47 1fi9 n GLU 69 Cb 0.36 -1.16 0.10 0.00 0.27 0.00 0.00 31.44 31.01 1fi9 n GLU 69 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1fi9 n ASN 70 N -0.37 -2.07 -1.01 4.31 2.85 0.37 -4.71 115.26 114.63 1fi9 n ASN 70 Ca 0.07 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.32 1fi9 n ASN 70 Cb 0.09 1.71 0.00 0.00 1.24 0.00 0.00 39.78 42.82 1fi9 n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1fi9 n PRO 71 N 0.33 0.98 -2.73 1.20 -0.04 -1.13 -2.89 135.00 130.72 1fi9 n PRO 71 Ca 0.03 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1fi9 n PRO 71 Cb 0.72 -1.01 0.09 0.00 -0.04 0.00 0.00 33.50 33.26 1fi9 n PRO 71 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1fi9 n LYS 72 N 0.54 1.14 0.08 0.54 -0.00 -1.26 -3.79 118.16 115.40 1fi9 n LYS 72 Ca 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 58.31 56.12 1fi9 n LYS 72 Cb 0.49 -0.53 0.00 0.00 -0.00 0.00 0.00 35.03 34.99 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 -0.28 0.00 0.29 -1.58 0.00 -1.14 -4.96 118.16 110.49 1fi9 n LYS 73 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 58.31 58.16 1fi9 n LYS 73 Cb 0.81 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.75 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1fi9 h TYR 74 N 0.00 -1.20 -3.23 5.64 0.05 -1.93 -3.42 116.97 112.87 1fi9 h TYR 74 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.31 1fi9 h TYR 74 Cb 0.00 0.46 -0.38 0.00 1.01 0.00 0.00 36.73 37.82 1fi9 h TYR 74 CO 0.00 -0.61 -0.78 0.96 -1.05 0.00 0.00 178.16 176.68 1fi9 s ILE 75 N -5.94 0.65 -1.52 -2.88 -4.36 -1.26 -5.06 121.20 100.84 1fi9 s ILE 75 Ca -0.18 -0.09 -0.11 0.00 -0.26 0.00 0.00 60.65 60.01 1fi9 s ILE 75 Cb 0.05 -0.78 -0.06 0.00 1.25 0.00 0.00 42.46 42.93 1fi9 s ILE 75 CO 0.62 0.28 2.69 -0.81 0.24 0.00 0.00 174.94 177.96 1fi9 n PRO 76 N 5.06 3.32 0.00 0.37 -0.04 -1.26 -3.98 135.00 138.46 1fi9 n PRO 76 Ca -0.09 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1fi9 n PRO 76 Cb 0.50 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 3.75 -1.85 0.00 0.55 0.00 -1.26 -5.13 105.19 101.25 1fi9 n GLY 77 Ca 0.69 0.84 0.00 0.00 0.00 0.00 0.00 46.02 47.55 1fi9 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fi9 n THR 78 N 0.00 0.00 -2.69 2.61 -1.04 -1.26 -4.85 114.28 107.05 1fi9 n THR 78 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1fi9 n THR 78 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1fi9 n LYS 79 N 0.00 0.49 -1.74 -2.82 0.00 -1.26 -5.14 118.16 107.68 1fi9 n LYS 79 Ca 0.00 -1.21 -0.42 0.00 -0.00 0.00 0.00 58.31 56.68 1fi9 n LYS 79 Cb 0.00 -0.61 -0.01 0.00 -0.00 0.00 0.00 35.03 34.42 1fi9 n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fi9 n MET 80 N 0.80 2.49 0.00 -1.58 0.00 -1.25 -4.90 117.12 112.68 1fi9 n MET 80 Ca 0.01 0.88 0.00 0.00 0.00 0.00 0.00 57.70 58.59 1fi9 n MET 80 Cb 0.71 -2.57 0.00 0.00 0.00 0.00 0.00 33.22 31.36 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1fi9 n ILE 81 N 0.79 0.00 -3.98 3.17 -5.35 -1.26 -5.11 119.36 107.62 1fi9 n ILE 81 Ca 0.04 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.43 1fi9 n ILE 81 Cb 0.37 -0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 38.17 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1fi9 s PHE 82 N -1.09 0.34 0.19 4.28 -0.71 -1.26 -5.06 117.98 114.67 1fi9 s PHE 82 Ca 0.00 -0.70 -0.14 0.00 -1.04 0.00 0.00 56.93 55.05 1fi9 s PHE 82 Cb 0.00 0.18 0.19 0.00 -1.21 0.00 0.00 43.02 42.18 1fi9 s PHE 82 CO 0.00 -0.97 1.67 0.00 -1.34 0.00 0.00 175.22 174.58 1fi9 h ALA 83 N 2.27 0.44 0.00 1.99 0.00 -1.96 -3.44 119.26 118.56 1fi9 h ALA 83 Ca -0.27 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fi9 h ALA 83 Cb 1.25 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1fi9 h ALA 83 CO 0.36 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1fi9 n GLY 84 N -1.33 -1.75 3.64 0.00 0.00 -1.26 -3.99 105.19 100.50 1fi9 n GLY 84 Ca 0.05 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1fi9 n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fi9 n ILE 85 N 5.25 3.33 -0.20 -0.61 2.08 -1.23 -4.85 119.36 123.15 1fi9 n ILE 85 Ca 0.00 -0.41 -0.00 0.00 0.56 0.00 0.00 62.75 62.90 1fi9 n ILE 85 Cb 0.00 -1.18 0.03 0.00 -0.75 0.00 0.00 39.64 37.74 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1fi9 n LYS 86 N -1.79 -0.11 -2.90 0.38 5.02 -1.26 -4.78 118.16 112.72 1fi9 n LYS 86 Ca 0.14 0.79 0.01 0.00 -2.02 0.00 0.00 58.31 57.23 1fi9 n LYS 86 Cb 0.49 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 34.33 1fi9 n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi9 n LYS 87 N -4.77 0.13 -0.21 1.97 2.85 -1.26 -5.04 118.16 111.84 1fi9 n LYS 87 Ca 0.06 -0.46 -0.06 0.00 -1.05 0.00 0.00 58.31 56.80 1fi9 n LYS 87 Cb 0.21 0.72 0.04 0.00 -0.65 0.00 0.00 35.03 35.35 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 0.78 -0.06 -1.58 3.64 -1.99 -1.76 116.57 115.59 1fi9 h LYS 88 Ca -0.11 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1fi9 h LYS 88 Cb 0.60 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1fi9 h LYS 88 CO 0.16 0.51 -0.15 1.15 -2.27 0.00 0.00 179.45 178.86 1fi9 h THR 89 N 0.80 0.00 -0.61 1.00 2.02 -1.99 0.11 112.91 114.25 1fi9 h THR 89 Ca 0.22 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.53 1fi9 h THR 89 Cb -0.08 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.22 1fi9 h THR 89 CO -0.05 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.37 1fi9 h GLU 90 N -0.14 0.01 -0.83 6.66 3.07 -1.96 -0.93 114.58 120.46 1fi9 h GLU 90 Ca 0.01 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.99 1fi9 h GLU 90 Cb 0.18 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.00 1fi9 h GLU 90 CO -0.13 0.01 0.45 0.00 -1.40 0.00 0.00 179.01 177.94 1fi9 h ARG 91 N 0.01 0.69 0.04 2.33 3.08 -0.46 0.16 114.38 120.23 1fi9 h ARG 91 Ca 0.30 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1fi9 h ARG 91 Cb 0.46 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1fi9 h ARG 91 CO -0.61 0.46 -0.02 1.49 -1.07 0.00 0.00 179.97 180.21 1fi9 h GLU 92 N 0.71 -0.05 -0.45 0.04 4.22 0.51 0.16 114.58 119.72 1fi9 h GLU 92 Ca 0.42 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.96 1fi9 h GLU 92 Cb 0.49 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 1fi9 h GLU 92 CO -0.30 0.16 -0.16 -0.44 -2.18 0.00 0.00 179.01 176.10 1fi9 h ASP 93 N -0.26 -0.56 -0.16 1.04 3.32 -0.93 -1.37 116.42 117.51 1fi9 h ASP 93 Ca -0.01 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1fi9 h ASP 93 Cb 0.24 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 40.05 1fi9 h ASP 93 CO 0.01 -0.19 -0.32 0.25 -1.72 0.00 0.00 179.24 177.27 1fi9 h LEU 94 N -0.06 -1.00 -0.79 1.55 6.46 -0.04 -1.32 115.31 120.12 1fi9 h LEU 94 Ca 0.22 0.15 0.15 0.00 -0.12 0.00 0.00 57.88 58.28 1fi9 h LEU 94 Cb 0.39 0.43 -0.10 0.00 -0.73 0.00 0.00 40.66 40.65 1fi9 h LEU 94 CO -0.49 -0.35 0.33 0.40 -0.62 0.00 0.00 178.44 177.70 1fi9 h ILE 95 N -0.38 0.63 -0.14 4.05 5.03 -0.24 -0.62 117.51 125.84 1fi9 h ILE 95 Ca 0.10 -0.16 0.03 0.00 -0.12 0.00 0.00 64.86 64.71 1fi9 h ILE 95 Cb 0.54 0.14 -0.02 0.00 -3.03 0.00 0.00 36.82 34.45 1fi9 h ILE 95 CO -0.37 0.08 -0.02 0.00 -0.68 0.00 0.00 178.15 177.17 1fi9 h ALA 96 N 1.58 0.11 0.49 1.87 0.00 -0.14 0.19 119.26 123.36 1fi9 h ALA 96 Ca 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1fi9 h ALA 96 Cb 0.70 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1fi9 h ALA 96 CO -0.42 -0.47 -0.42 -0.92 0.00 0.00 0.00 179.25 177.02 1fi9 h TYR 97 N 0.02 -1.15 -0.82 0.00 3.20 -0.89 -2.67 116.97 114.65 1fi9 h TYR 97 Ca 0.07 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.14 1fi9 h TYR 97 Cb 0.09 0.44 -0.14 0.00 1.54 0.00 0.00 36.73 38.66 1fi9 h TYR 97 CO -0.16 -0.60 0.06 -0.07 -1.64 0.00 0.00 178.16 175.75 1fi9 h LEU 98 N -0.91 -0.30 -0.62 2.82 4.07 -0.88 0.17 115.31 119.67 1fi9 h LEU 98 Ca -0.05 0.21 0.13 0.00 0.08 0.00 0.00 57.88 58.25 1fi9 h LEU 98 Cb 0.79 0.35 -0.11 0.00 1.08 0.00 0.00 40.66 42.77 1fi9 h LEU 98 CO -0.03 -0.20 -0.04 0.11 -1.08 0.00 0.00 178.44 177.20 1fi9 h LYS 99 N 0.11 0.08 0.13 1.13 1.57 -0.26 0.15 116.57 119.49 1fi9 h LYS 99 Ca 0.47 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.97 1fi9 h LYS 99 Cb 0.88 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.20 1fi9 h LYS 99 CO -0.70 0.05 -1.18 -0.22 -0.57 0.00 0.00 179.45 176.83 1fi9 h LYS 100 N 0.08 0.56 -0.07 3.15 3.64 -1.18 -3.21 116.57 119.54 1fi9 h LYS 100 Ca 0.32 -0.78 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1fi9 h LYS 100 Cb 0.51 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1fi9 h LYS 100 CO -0.56 1.35 0.02 0.00 -2.27 0.00 0.00 179.45 177.99 1fi9 h ALA 101 N 0.24 0.09 -0.06 5.00 0.00 0.38 0.26 119.26 125.18 1fi9 h ALA 101 Ca -0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1fi9 h ALA 101 Cb 1.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1fi9 h ALA 101 CO 0.22 -0.30 -0.21 1.79 0.00 0.00 0.00 179.25 180.76 1fi9 h THR 102 N -0.09 1.45 -0.58 0.00 1.35 -0.93 -3.19 112.91 110.92 1fi9 h THR 102 Ca 0.02 -1.63 0.05 0.00 -0.55 0.00 0.00 66.41 64.30 1fi9 h THR 102 Cb 0.22 2.35 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 1fi9 h THR 102 CO -0.00 0.46 0.32 -1.13 -0.25 0.00 0.00 175.52 174.91 1fi9 h ASN 103 N -0.29 0.48 0.00 5.36 -1.24 -1.56 -2.67 115.58 115.65 1fi9 h ASN 103 Ca -0.01 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1fi9 h ASN 103 Cb 0.85 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1fi9 h ASN 103 CO 0.04 0.32 0.00 1.21 -1.29 0.00 0.00 177.43 177.72