#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 6.41 0.18 1.61 -1.08 -1.26 -4.69 116.67 117.83 1fi9 s ASP 2 Ca 0.00 2.45 -0.07 0.00 -0.52 0.00 0.00 52.55 54.41 1fi9 s ASP 2 Cb 0.00 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 39.00 1fi9 s ASP 2 CO 0.00 -1.12 1.54 0.58 0.52 0.00 0.00 175.17 176.69 1fi9 h VAL 3 N 5.78 1.28 0.52 1.11 2.07 -1.88 0.22 116.25 125.36 1fi9 h VAL 3 Ca -0.46 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 1fi9 h VAL 3 Cb 1.22 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1fi9 h VAL 3 CO 0.95 0.50 -0.25 -0.33 0.02 0.00 0.00 177.57 178.45 1fi9 h GLU 4 N 0.69 -0.68 -0.70 1.57 4.39 -1.92 0.12 114.58 118.05 1fi9 h GLU 4 Ca 0.07 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1fi9 h GLU 4 Cb 0.90 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1fi9 h GLU 4 CO 0.08 -0.37 0.44 0.87 -1.16 0.00 0.00 179.01 178.87 1fi9 h LYS 5 N -1.02 0.83 -0.73 2.33 1.57 -1.93 -1.25 116.57 116.37 1fi9 h LYS 5 Ca -0.07 -0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.80 1fi9 h LYS 5 Cb 0.62 -0.19 -0.10 0.00 0.08 0.00 0.00 32.23 32.64 1fi9 h LYS 5 CO 0.12 0.55 0.26 0.78 -0.57 0.00 0.00 179.45 180.58 1fi9 h GLY 6 N 0.85 1.08 0.96 3.86 0.00 -0.45 0.30 103.07 109.67 1fi9 h GLY 6 Ca 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1fi9 h GLY 6 CO -0.11 -0.12 -0.17 1.70 0.00 0.00 0.00 176.54 177.83 1fi9 h LYS 7 N 0.38 -0.46 -0.39 4.80 3.64 0.17 0.09 116.57 124.80 1fi9 h LYS 7 Ca 0.40 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1fi9 h LYS 7 Cb 0.63 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1fi9 h LYS 7 CO -0.43 -0.28 0.22 0.87 -2.27 0.00 0.00 179.45 177.57 1fi9 h LYS 8 N -0.53 0.54 0.03 1.90 6.56 -0.63 -2.51 116.57 121.93 1fi9 h LYS 8 Ca -0.05 -0.06 0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1fi9 h LYS 8 Cb 0.40 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.91 1fi9 h LYS 8 CO 0.08 0.43 -0.28 0.82 -2.06 0.00 0.00 179.45 178.43 1fi9 h ILE 9 N 0.51 0.37 -0.72 1.86 2.04 -0.26 0.25 117.51 121.55 1fi9 h ILE 9 Ca 0.14 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.16 1fi9 h ILE 9 Cb 0.04 0.37 -0.12 0.00 -0.74 0.00 0.00 36.82 36.36 1fi9 h ILE 9 CO -0.02 0.00 0.01 0.15 0.00 0.00 0.00 178.15 178.29 1fi9 h PHE 10 N -0.45 -0.04 0.00 1.37 3.57 -0.75 0.48 116.94 121.12 1fi9 h PHE 10 Ca 0.06 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1fi9 h PHE 10 Cb 0.52 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1fi9 h PHE 10 CO -0.30 -0.21 -0.43 0.28 -2.23 0.00 0.00 178.31 175.42 1fi9 h VAL 11 N 0.11 1.05 0.00 1.41 2.07 -0.88 0.13 116.25 120.14 1fi9 h VAL 11 Ca 0.39 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1fi9 h VAL 11 Cb 0.67 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1fi9 h VAL 11 CO -0.62 0.42 -0.80 0.00 0.02 0.00 0.00 177.57 176.59 1fi9 n GLN 12 N -3.66 0.11 -0.03 1.57 1.13 0.78 -4.43 117.38 112.85 1fi9 n GLN 12 Ca -0.01 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.99 1fi9 n GLN 12 Cb 0.52 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 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 -1.68 0.13 0.00 -1.09 4.76 0.14 -5.00 118.16 115.42 1fi9 n LYS 13 Ca 0.04 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1fi9 n LYS 13 Cb 0.37 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fi9 n ALA 15 N -2.24 0.00 -0.91 0.00 0.00 -0.48 -3.81 120.51 113.07 1fi9 n ALA 15 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1fi9 n ALA 15 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1fi9 n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fi9 n GLN 16 N 0.00 1.82 0.00 0.00 1.13 -1.26 -2.16 117.38 116.90 1fi9 n GLN 16 Ca 0.00 -0.90 0.00 0.00 -1.94 0.00 0.00 57.00 54.16 1fi9 n GLN 16 Cb 0.00 -1.94 0.00 0.00 0.11 0.00 0.00 30.24 28.41 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s HIS 18 N -0.04 -0.10 -0.03 0.00 3.76 -0.92 -0.53 115.29 117.43 1fi9 s HIS 18 Ca 0.00 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1fi9 s HIS 18 Cb 0.00 0.05 -0.03 0.00 1.11 0.00 0.00 32.58 33.71 1fi9 s HIS 18 CO 0.00 -0.36 0.01 2.41 -0.85 0.00 0.00 174.74 175.95 1fi9 n THR 19 N 1.30 0.18 -2.47 1.30 -1.04 -1.26 -4.14 114.28 108.16 1fi9 n THR 19 Ca -0.22 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 1fi9 n THR 19 Cb 0.56 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 68.16 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 -2.13 -0.68 -4.06 12.58 0.24 -1.26 -4.87 118.33 118.16 1fi9 n VAL 20 Ca -0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 1fi9 n VAL 20 Cb 0.58 -1.96 -0.03 0.00 -1.47 0.00 0.00 33.84 30.96 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 -5.07 1.98 0.91 7.34 -1.05 -1.26 -3.09 118.70 118.46 1fi9 s GLU 21 Ca 0.01 -1.74 -0.12 0.00 -0.15 0.00 0.00 54.97 52.97 1fi9 s GLU 21 Cb -0.01 0.47 0.14 0.00 -0.44 0.00 0.00 34.13 34.29 1fi9 s GLU 21 CO 0.02 -0.84 1.12 0.21 0.95 0.00 0.00 175.26 176.72 1fi9 s LYS 22 N -2.91 1.16 -0.53 -4.83 2.20 -1.26 -3.91 119.74 109.66 1fi9 s LYS 22 Ca 0.29 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1fi9 s LYS 22 Cb -0.01 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 1fi9 s LYS 22 CO 0.20 -2.20 0.00 0.41 -0.36 0.00 0.00 175.35 173.39 1fi9 n GLY 23 N -1.97 0.51 0.74 5.54 0.00 -1.26 -4.81 105.19 103.94 1fi9 n GLY 23 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.33 1.73 2.28 -0.02 0.00 -1.25 -4.78 105.19 103.48 1fi9 n GLY 24 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fi9 n LYS 25 N 0.24 -2.05 0.00 1.61 4.76 -1.26 -4.27 118.16 117.19 1fi9 n LYS 25 Ca 0.00 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1fi9 n LYS 25 Cb 0.37 -5.02 0.00 0.00 -1.84 0.00 0.00 35.03 28.53 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1fi9 n HIS 26 N -2.85 0.00 -2.91 2.13 8.25 -1.26 -4.82 115.22 113.75 1fi9 n HIS 26 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 1fi9 n HIS 26 Cb 0.53 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.65 1fi9 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fi9 n LYS 27 N 0.00 -2.28 0.00 -0.41 5.02 -1.26 -3.91 118.16 115.31 1fi9 n LYS 27 Ca 0.00 2.03 0.00 0.00 -2.02 0.00 0.00 58.31 58.32 1fi9 n LYS 27 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 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 -0.41 0.00 -2.30 -0.18 -1.04 -1.26 -3.83 114.28 105.26 1fi9 n THR 28 Ca 0.10 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.74 1fi9 n THR 28 Cb 0.48 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.00 2.77 0.52 3.41 0.00 0.30 -4.96 107.32 109.37 1fi9 s GLY 29 Ca 0.00 0.90 -0.23 0.00 0.00 0.00 0.00 44.72 45.40 1fi9 s GLY 29 CO 0.00 1.36 1.39 -1.55 0.00 0.00 0.00 173.10 174.30 1fi9 n PRO 30 N -0.42 1.86 -1.89 2.90 -0.04 -1.26 -4.50 135.00 131.65 1fi9 n PRO 30 Ca 0.07 0.68 -0.38 0.00 -0.04 0.00 0.00 63.50 63.82 1fi9 n PRO 30 Cb 0.48 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1fi9 n PRO 30 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fi9 s ASN 31 N -0.79 5.11 0.00 3.54 4.22 -1.25 -4.46 114.94 121.30 1fi9 s ASN 31 Ca 0.69 0.71 -0.05 0.00 -2.14 0.00 0.00 52.86 52.07 1fi9 s ASN 31 Cb -0.42 -2.52 -0.23 0.00 1.28 0.00 0.00 41.25 39.36 1fi9 s ASN 31 CO 0.51 -2.43 3.33 0.18 -2.04 0.00 0.00 177.10 176.66 1fi9 n LEU 32 N 13.32 5.06 -3.50 3.54 4.77 -1.26 -4.70 117.00 134.22 1fi9 n LEU 32 Ca 0.26 -2.99 -0.40 0.00 -0.03 0.00 0.00 56.01 52.84 1fi9 n LEU 32 Cb 0.52 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1fi9 n LEU 32 CO 0.71 1.55 3.05 1.57 -1.33 0.00 0.00 177.39 182.93 1fi9 n HIS 33 N 2.40 2.91 0.00 -1.77 -0.00 -1.26 -3.00 115.22 114.51 1fi9 n HIS 33 Ca 0.37 -3.04 0.00 0.00 0.46 0.00 0.00 57.72 55.51 1fi9 n HIS 33 Cb 0.84 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 28.21 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 3.74 0.00 0.16 1.57 0.00 -0.89 -4.91 105.19 104.85 1fi9 n GLY 34 Ca 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.26 -5.05 0.99 5.85 -1.79 -3.37 115.31 111.69 1fi9 h LEU 35 Ca 0.00 -0.20 -0.52 0.00 0.84 0.00 0.00 57.88 57.99 1fi9 h LEU 35 Cb 0.00 0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.11 1fi9 h LEU 35 CO 0.00 0.26 3.02 0.49 -0.34 0.00 0.00 178.44 181.88 1fi9 n PHE 36 N -4.97 1.82 0.00 1.25 3.72 -1.26 -3.00 117.46 115.02 1fi9 n PHE 36 Ca -0.07 -2.54 0.00 0.00 -0.05 0.00 0.00 57.45 54.79 1fi9 n PHE 36 Cb 0.22 -2.12 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 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 3.53 0.00 3.79 1.37 0.00 -1.26 -5.01 105.19 107.61 1fi9 n GLY 37 Ca 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 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 1.07 0.31 1.61 0.52 -1.16 -5.08 118.95 116.21 1fi9 s ARG 38 Ca 0.00 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1fi9 s ARG 38 Cb 0.00 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.77 1fi9 s ARG 38 CO 0.00 -0.49 0.22 0.15 0.02 0.00 0.00 175.30 175.20 1fi9 s LYS 39 N -2.70 2.71 0.04 3.54 1.02 -1.26 -3.56 119.74 119.53 1fi9 s LYS 39 Ca 0.17 -1.27 -0.09 0.00 0.02 0.00 0.00 55.97 54.80 1fi9 s LYS 39 Cb -0.01 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1fi9 s LYS 39 CO 0.02 0.21 1.15 1.79 -0.92 0.00 0.00 175.35 177.59 1fi9 h THR 40 N 1.40 0.00 0.00 2.17 1.35 -1.80 -2.83 112.91 113.20 1fi9 h THR 40 Ca -0.46 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.16 1fi9 h THR 40 Cb 1.25 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 1fi9 h THR 40 CO 0.60 0.00 0.75 0.61 -0.25 0.00 0.00 175.52 177.23 1fi9 n GLY 41 N -1.08 2.81 2.62 5.82 0.00 -1.26 -4.08 105.19 110.02 1fi9 n GLY 41 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 2.99 1.13 -2.79 1.61 1.13 -1.07 -4.98 117.38 115.39 1fi9 n GLN 42 Ca 0.40 -3.24 -0.32 0.00 -1.94 0.00 0.00 57.00 51.89 1fi9 n GLN 42 Cb 0.55 -1.27 -0.06 0.00 0.11 0.00 0.00 30.24 29.57 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 -3.02 3.13 -1.16 -1.58 0.00 -1.26 -4.92 121.76 112.96 1fi9 s ALA 43 Ca 0.28 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 1fi9 s ALA 43 Cb 0.45 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1fi9 s ALA 43 CO 0.03 0.08 1.93 -0.35 0.00 0.00 0.00 175.76 177.45 1fi9 n PRO 44 N -0.85 2.19 0.00 0.00 -0.04 -1.26 -4.51 135.00 130.52 1fi9 n PRO 44 Ca 0.06 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1fi9 n PRO 44 Cb 0.54 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 5.09 1.63 2.89 0.55 0.00 -1.26 -4.96 105.19 109.13 1fi9 n GLY 45 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 1fi9 n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fi9 n PHE 46 N 0.00 -0.42 -2.17 1.61 7.35 -1.26 -4.79 117.46 117.77 1fi9 n PHE 46 Ca 0.00 0.82 -0.31 0.00 -0.76 0.00 0.00 57.45 57.20 1fi9 n PHE 46 Cb 0.00 -1.66 -0.04 0.00 0.35 0.00 0.00 39.48 38.12 1fi9 n PHE 46 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1fi9 s THR 47 N -0.85 3.55 0.30 -2.13 -4.23 -1.26 -4.83 115.64 106.19 1fi9 s THR 47 Ca 0.54 -0.39 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 1fi9 s THR 47 Cb -0.79 -4.26 -0.09 0.00 1.34 0.00 0.00 72.50 68.70 1fi9 s THR 47 CO 0.48 -1.19 1.00 -0.72 -0.54 0.00 0.00 174.62 173.65 1fi9 s TYR 48 N 8.75 3.67 0.46 3.99 -0.85 -1.26 -5.04 117.35 127.07 1fi9 s TYR 48 Ca 0.64 1.78 -0.20 0.00 -0.52 0.00 0.00 57.07 58.76 1fi9 s TYR 48 Cb -0.06 -3.07 -0.10 0.00 0.38 0.00 0.00 41.96 39.12 1fi9 s TYR 48 CO -0.01 -0.07 0.97 0.99 -1.52 0.00 0.00 175.55 175.92 1fi9 s THR 49 N -1.39 4.31 0.12 -3.49 2.01 -1.26 -4.89 115.64 111.04 1fi9 s THR 49 Ca 0.48 1.35 -0.33 0.00 0.31 0.00 0.00 61.69 63.50 1fi9 s THR 49 Cb -0.25 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 1fi9 s THR 49 CO 0.31 -0.39 1.56 0.44 -0.69 0.00 0.00 174.62 175.86 1fi9 h ASP 50 N 1.60 -1.54 -0.76 3.53 3.32 -1.99 0.39 116.42 120.96 1fi9 h ASP 50 Ca -0.49 0.18 0.09 0.00 0.02 0.00 0.00 57.03 56.83 1fi9 h ASP 50 Cb 1.19 0.60 -0.07 0.00 0.22 0.00 0.00 39.33 41.26 1fi9 h ASP 50 CO 0.61 -0.49 0.42 0.00 -1.72 0.00 0.00 179.24 178.05 1fi9 h ALA 51 N -0.24 1.07 0.26 3.45 0.00 -1.96 0.21 119.26 122.05 1fi9 h ALA 51 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1fi9 h ALA 51 Cb 0.69 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1fi9 h ALA 51 CO -0.37 0.04 -0.45 -0.97 0.00 0.00 0.00 179.25 177.50 1fi9 h ASN 52 N 0.71 -1.29 -0.66 0.00 -0.73 -1.85 -2.81 115.58 108.95 1fi9 h ASN 52 Ca 0.37 0.13 0.09 0.00 1.87 0.00 0.00 56.30 58.76 1fi9 h ASN 52 Cb 0.34 0.46 -0.07 0.00 0.27 0.00 0.00 38.32 39.32 1fi9 h ASN 52 CO -0.24 -0.55 0.29 0.50 -0.37 0.00 0.00 177.43 177.06 1fi9 h LYS 53 N -0.78 0.49 -0.16 6.67 3.64 0.46 -1.31 116.57 125.58 1fi9 h LYS 53 Ca -0.01 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1fi9 h LYS 53 Cb 0.75 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1fi9 h LYS 53 CO -0.17 0.33 0.18 -0.97 -2.27 0.00 0.00 179.45 176.54 1fi9 h ASN 54 N 0.51 0.00 0.03 4.20 -0.73 -0.50 -2.82 115.58 116.28 1fi9 h ASN 54 Ca 0.33 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.50 1fi9 h ASN 54 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1fi9 h ASN 54 CO -0.29 0.00 -0.02 0.50 -0.37 0.00 0.00 177.43 177.26 1fi9 h LYS 55 N 0.00 -0.04 -2.18 6.67 3.64 -0.98 -3.47 116.57 120.21 1fi9 h LYS 55 Ca 0.08 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.06 1fi9 h LYS 55 Cb 0.43 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1fi9 h LYS 55 CO -0.00 0.16 -0.46 0.41 -2.27 0.00 0.00 179.45 177.29 1fi9 n GLY 56 N -0.57 0.34 3.92 5.01 0.00 -1.06 -4.98 105.19 107.85 1fi9 n GLY 56 Ca -0.08 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.90 5.09 0.08 -0.61 -4.36 -1.26 -4.83 121.20 112.41 1fi9 s ILE 57 Ca 0.00 -0.23 -0.10 0.00 -0.26 0.00 0.00 60.65 60.06 1fi9 s ILE 57 Cb 0.00 -3.79 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 1fi9 s ILE 57 CO 0.00 -0.40 0.41 -0.89 0.24 0.00 0.00 174.94 174.30 1fi9 s THR 58 N -2.15 5.08 -0.08 8.37 2.01 -1.26 -2.56 115.64 125.05 1fi9 s THR 58 Ca 0.41 0.50 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 1fi9 s THR 58 Cb -0.10 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1fi9 s THR 58 CO 0.33 0.31 0.43 0.26 -0.69 0.00 0.00 174.62 175.25 1fi9 s TRP 59 N -1.38 3.58 0.30 4.92 0.52 -1.23 -4.88 118.94 120.77 1fi9 s TRP 59 Ca 0.32 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.33 1fi9 s TRP 59 Cb -0.14 -2.43 0.00 0.00 -1.15 0.00 0.00 33.47 29.75 1fi9 s TRP 59 CO 0.18 0.35 0.00 0.36 0.02 0.00 0.00 176.95 177.85 1fi9 n LYS 60 N 2.99 0.00 0.00 4.98 2.85 -1.26 -4.36 118.16 123.37 1fi9 n LYS 60 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1fi9 n LYS 60 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 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 -3.44 0.00 0.00 -1.58 0.28 -1.26 -5.02 120.64 109.61 1fi9 n GLU 61 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1fi9 n GLU 61 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1fi9 n GLU 62 N 0.00 0.00 -0.24 3.44 1.02 -1.26 -0.12 120.64 123.48 1fi9 n GLU 62 Ca 0.00 0.84 -0.03 0.00 -0.02 0.00 0.00 57.16 57.95 1fi9 n GLU 62 Cb 0.00 -1.42 0.08 0.00 -0.02 0.00 0.00 31.44 30.09 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1fi9 h THR 63 N 0.00 1.05 -0.23 2.62 2.02 -1.96 -2.31 112.91 114.10 1fi9 h THR 63 Ca 0.00 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 66.97 1fi9 h THR 63 Cb 0.00 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.53 1fi9 h THR 63 CO 0.00 0.14 -0.20 0.25 0.37 0.00 0.00 175.52 176.09 1fi9 h LEU 64 N 0.79 -0.64 -0.67 2.58 6.46 -1.84 0.14 115.31 122.13 1fi9 h LEU 64 Ca 0.29 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 58.26 1fi9 h LEU 64 Cb 0.08 0.31 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 1fi9 h LEU 64 CO -0.13 -0.24 -0.47 0.24 -0.62 0.00 0.00 178.44 177.22 1fi9 h MET 65 N -0.20 -0.18 -0.32 1.25 2.86 0.05 0.34 114.93 118.72 1fi9 h MET 65 Ca 0.13 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1fi9 h MET 65 Cb 0.40 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1fi9 h MET 65 CO -0.35 -0.12 -0.16 0.93 1.06 0.00 0.00 176.91 178.27 1fi9 h GLU 66 N -0.19 0.68 -0.21 1.72 5.08 -1.16 -0.98 114.58 119.52 1fi9 h GLU 66 Ca 0.18 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1fi9 h GLU 66 Cb 0.55 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1fi9 h GLU 66 CO -0.75 0.89 -0.37 -0.92 -1.00 0.00 0.00 179.01 176.86 1fi9 h TYR 67 N 0.44 -1.04 0.00 4.33 5.03 -0.16 0.17 116.97 125.75 1fi9 h TYR 67 Ca 0.07 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1fi9 h TYR 67 Cb 0.69 0.49 -0.00 0.00 1.55 0.00 0.00 36.73 39.45 1fi9 h TYR 67 CO 0.06 -0.43 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.29 1fi9 h LEU 68 N -0.39 0.00 -0.98 2.82 3.38 -0.78 -1.04 115.31 118.32 1fi9 h LEU 68 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1fi9 h LEU 68 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1fi9 h LEU 68 CO -0.43 0.11 0.00 1.21 0.09 0.00 0.00 178.44 179.42 1fi9 n GLU 69 N -3.56 1.64 -2.72 1.13 0.00 0.32 -4.04 120.64 113.41 1fi9 n GLU 69 Ca -0.02 -0.97 -0.07 0.00 0.00 0.00 0.00 57.16 56.10 1fi9 n GLU 69 Cb 0.24 -1.33 0.08 0.00 0.00 0.00 0.00 31.44 30.44 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fi9 n ASN 70 N 0.22 -2.19 -3.26 4.31 3.02 0.34 -4.95 115.26 112.75 1fi9 n ASN 70 Ca 0.14 -3.10 -0.36 0.00 -0.03 0.00 0.00 54.58 51.23 1fi9 n ASN 70 Cb 0.27 1.66 -0.03 0.00 -0.61 0.00 0.00 39.78 41.08 1fi9 n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1fi9 n PRO 71 N 0.80 3.43 0.00 3.52 -0.04 -1.08 -2.36 135.00 139.27 1fi9 n PRO 71 Ca 0.04 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1fi9 n PRO 71 Cb 0.69 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.64 0.00 -0.28 0.54 0.00 -1.26 -3.32 118.16 117.47 1fi9 n LYS 72 Ca 0.73 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 59.10 1fi9 n LYS 72 Cb 0.23 0.00 0.29 0.00 -0.00 0.00 0.00 35.03 35.55 1fi9 n LYS 72 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1fi9 h LYS 73 N 0.00 0.89 0.10 -1.58 3.11 -1.86 0.05 116.57 117.27 1fi9 h LYS 73 Ca 0.00 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1fi9 h LYS 73 Cb 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.03 1fi9 h LYS 73 CO 0.00 0.59 -0.05 1.88 -2.81 0.00 0.00 179.45 179.06 1fi9 h TYR 74 N 0.91 -0.13 -1.71 1.91 -1.99 -1.92 -3.42 116.97 110.62 1fi9 h TYR 74 Ca 0.40 -0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.78 1fi9 h TYR 74 Cb 0.35 0.04 -0.28 0.00 2.00 0.00 0.00 36.73 38.85 1fi9 h TYR 74 CO -0.00 0.01 -0.71 0.96 -0.00 0.00 0.00 178.16 178.42 1fi9 s ILE 75 N -5.76 -0.37 -1.26 -2.88 -4.36 -0.37 -5.08 121.20 101.12 1fi9 s ILE 75 Ca -0.14 -1.52 -0.17 0.00 -0.26 0.00 0.00 60.65 58.56 1fi9 s ILE 75 Cb 0.05 -0.60 -0.01 0.00 1.25 0.00 0.00 42.46 43.15 1fi9 s ILE 75 CO 0.65 -0.58 2.04 -0.81 0.24 0.00 0.00 174.94 176.48 1fi9 n PRO 76 N 3.31 2.55 0.00 0.37 -0.04 -0.14 -3.38 135.00 137.67 1fi9 n PRO 76 Ca 0.20 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1fi9 n PRO 76 Cb 0.50 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 4.58 -0.90 2.01 0.55 0.00 -1.26 -5.10 105.19 105.07 1fi9 n GLY 77 Ca 0.50 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.77 2.61 -1.04 -1.22 -5.01 114.28 106.86 1fi9 n THR 78 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1fi9 n THR 78 Cb 0.00 -0.28 0.07 0.00 -1.82 0.00 0.00 70.33 68.31 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 -3.08 1.10 -1.70 -2.82 2.85 -1.26 -5.12 118.16 108.13 1fi9 n LYS 79 Ca 0.00 -2.32 -0.43 0.00 -1.05 0.00 0.00 58.31 54.50 1fi9 n LYS 79 Cb 0.00 -0.78 -0.02 0.00 -0.65 0.00 0.00 35.03 33.57 1fi9 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1fi9 n MET 80 N -0.09 2.35 -1.89 -1.58 0.00 -1.26 -4.93 117.12 109.72 1fi9 n MET 80 Ca 0.06 0.84 -0.01 0.00 0.00 0.00 0.00 57.70 58.58 1fi9 n MET 80 Cb 0.77 -2.57 -0.00 0.00 0.00 0.00 0.00 33.22 31.42 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 2.28 0.00 -0.98 3.17 -5.35 -1.21 -5.08 119.36 112.19 1fi9 n ILE 81 Ca 0.11 -0.18 -0.31 0.00 -0.27 0.00 0.00 62.75 62.11 1fi9 n ILE 81 Cb 0.33 0.10 0.01 0.00 -1.74 0.00 0.00 39.64 38.35 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 -0.05 -2.41 -0.28 4.28 -1.74 -1.26 -4.80 117.46 111.19 1fi9 n PHE 82 Ca 0.00 0.34 0.03 0.00 -0.56 0.00 0.00 57.45 57.27 1fi9 n PHE 82 Cb 0.05 -1.33 0.09 0.00 1.52 0.00 0.00 39.48 39.81 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 n ALA 83 N -1.24 0.12 0.00 1.98 0.00 -1.26 -4.78 120.51 115.33 1fi9 n ALA 83 Ca 0.06 0.84 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1fi9 n ALA 83 Cb 0.38 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fi9 n GLY 84 N -1.46 0.18 0.00 0.00 0.00 -1.26 -4.39 105.19 98.25 1fi9 n GLY 84 Ca 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 9.00 0.00 0.16 -0.61 2.08 -1.26 -4.99 119.36 123.75 1fi9 n ILE 85 Ca 0.00 0.67 0.00 0.00 0.56 0.00 0.00 62.75 63.98 1fi9 n ILE 85 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 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 -0.23 0.00 0.00 0.38 5.02 -1.26 -5.07 118.16 116.99 1fi9 n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fi9 n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -3.16 0.00 -0.12 1.97 2.85 -1.26 -5.08 118.16 113.36 1fi9 n LYS 87 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1fi9 n LYS 87 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 1fi9 n LYS 87 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1fi9 n LYS 88 N 0.00 0.65 0.00 -1.58 2.85 -1.26 -4.18 118.16 114.64 1fi9 n LYS 88 Ca 0.00 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1fi9 n LYS 88 Cb 0.00 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 1fi9 n LYS 88 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1fi9 n THR 89 N -3.40 0.00 -0.30 0.58 -1.04 -1.26 0.18 114.28 109.04 1fi9 n THR 89 Ca -0.46 1.48 0.04 0.00 -2.04 0.00 0.00 64.05 63.07 1fi9 n THR 89 Cb 0.98 -2.32 0.18 0.00 -1.82 0.00 0.00 70.33 67.34 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 0.79 -0.67 -2.82 3.07 -1.99 -0.44 114.58 112.51 1fi9 h GLU 90 Ca 0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1fi9 h GLU 90 Cb 0.00 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 1fi9 h GLU 90 CO 0.00 0.52 0.40 -0.09 -1.40 0.00 0.00 179.01 178.45 1fi9 h ARG 91 N 0.82 0.91 -0.03 2.33 2.43 -1.63 0.10 114.38 119.31 1fi9 h ARG 91 Ca 0.41 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1fi9 h ARG 91 Cb 0.39 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1fi9 h ARG 91 CO -0.25 0.64 -0.09 1.49 -1.51 0.00 0.00 179.97 180.25 1fi9 h GLU 92 N 0.93 0.11 -0.67 0.20 4.81 0.75 -1.76 114.58 118.96 1fi9 h GLU 92 Ca 0.24 -0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.53 1fi9 h GLU 92 Cb -0.04 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.26 1fi9 h GLU 92 CO -0.05 0.70 0.12 -0.44 -0.73 0.00 0.00 179.01 178.62 1fi9 h ASP 93 N -0.47 -0.05 -0.06 1.04 3.32 -0.85 -0.54 116.42 118.81 1fi9 h ASP 93 Ca -0.00 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1fi9 h ASP 93 Cb 0.71 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 1fi9 h ASP 93 CO 0.02 -0.04 -0.52 0.25 -1.72 0.00 0.00 179.24 177.23 1fi9 h LEU 94 N 0.24 -1.63 -0.76 1.55 6.46 -0.64 -1.25 115.31 119.27 1fi9 h LEU 94 Ca 0.36 0.19 0.17 0.00 -0.12 0.00 0.00 57.88 58.48 1fi9 h LEU 94 Cb 0.58 0.63 -0.13 0.00 -0.73 0.00 0.00 40.66 41.01 1fi9 h LEU 94 CO -0.48 -0.50 0.01 0.40 -0.62 0.00 0.00 178.44 177.26 1fi9 h ILE 95 N -0.62 0.34 -0.25 4.05 5.03 -0.37 0.13 117.51 125.81 1fi9 h ILE 95 Ca 0.03 -0.04 0.04 0.00 -0.12 0.00 0.00 64.86 64.77 1fi9 h ILE 95 Cb 0.70 0.22 -0.04 0.00 -3.03 0.00 0.00 36.82 34.68 1fi9 h ILE 95 CO -0.39 0.02 0.01 0.00 -0.68 0.00 0.00 178.15 177.11 1fi9 h ALA 96 N 1.71 0.23 0.66 1.87 0.00 0.02 0.13 119.26 123.87 1fi9 h ALA 96 Ca 0.42 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 1fi9 h ALA 96 Cb 0.74 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1fi9 h ALA 96 CO -0.66 -0.41 -0.49 -0.92 0.00 0.00 0.00 179.25 176.76 1fi9 h TYR 97 N 0.09 -1.34 -0.85 0.00 3.20 -0.71 -3.22 116.97 114.14 1fi9 h TYR 97 Ca 0.12 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.14 1fi9 h TYR 97 Cb 0.15 0.50 -0.15 0.00 1.54 0.00 0.00 36.73 38.76 1fi9 h TYR 97 CO -0.19 -0.70 -0.29 1.25 -1.64 0.00 0.00 178.16 176.59 1fi9 h LEU 98 N -1.10 -1.05 -0.79 2.82 5.85 -0.37 0.13 115.31 120.79 1fi9 h LEU 98 Ca -0.09 0.27 0.16 0.00 0.84 0.00 0.00 57.88 59.06 1fi9 h LEU 98 Cb 0.91 0.61 -0.10 0.00 0.37 0.00 0.00 40.66 42.45 1fi9 h LEU 98 CO 0.03 -0.29 0.32 0.11 -0.34 0.00 0.00 178.44 178.26 1fi9 h LYS 99 N -0.03 0.42 0.30 1.25 1.57 -0.77 0.15 116.57 119.46 1fi9 h LYS 99 Ca 0.36 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1fi9 h LYS 99 Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1fi9 h LYS 99 CO -0.88 0.28 -0.15 0.87 -0.57 0.00 0.00 179.45 179.00 1fi9 h LYS 100 N 0.43 -0.39 0.28 3.15 1.79 -0.89 -3.27 116.57 117.68 1fi9 h LYS 100 Ca 0.45 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1fi9 h LYS 100 Cb 0.72 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1fi9 h LYS 100 CO -0.44 -0.06 -0.26 0.00 -1.08 0.00 0.00 179.45 177.61 1fi9 h ALA 101 N -0.53 -0.55 -0.80 3.86 0.00 -0.22 0.16 119.26 121.18 1fi9 h ALA 101 Ca -0.04 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1fi9 h ALA 101 Cb 0.51 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1fi9 h ALA 101 CO 0.07 -0.84 0.53 1.79 0.00 0.00 0.00 179.25 180.80 1fi9 h THR 102 N -0.56 0.85 0.37 0.00 1.35 -0.66 -2.30 112.91 111.97 1fi9 h THR 102 Ca -0.01 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.62 1fi9 h THR 102 Cb 0.51 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1fi9 h THR 102 CO -0.04 0.11 -0.18 -1.13 -0.25 0.00 0.00 175.52 174.03 1fi9 h ASN 103 N 0.59 -0.42 0.00 5.36 -0.73 -1.26 -2.38 115.58 116.74 1fi9 h ASN 103 Ca 0.39 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1fi9 h ASN 103 Cb 0.68 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1fi9 h ASN 103 CO -0.15 -0.02 0.00 -0.62 -0.37 0.00 0.00 177.43 176.27