#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 6.98 0.19 1.61 -1.08 -1.26 -4.69 116.67 118.42 1fi9 s ASP 2 Ca 0.00 1.81 -0.10 0.00 -0.52 0.00 0.00 52.55 53.74 1fi9 s ASP 2 Cb 0.00 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 1fi9 s ASP 2 CO 0.00 -0.67 1.76 0.58 0.52 0.00 0.00 175.17 177.35 1fi9 h VAL 3 N 5.20 1.24 0.80 1.11 2.07 -1.83 0.13 116.25 124.97 1fi9 h VAL 3 Ca -0.32 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1fi9 h VAL 3 Cb 1.14 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1fi9 h VAL 3 CO 0.92 0.29 -0.38 -0.33 0.02 0.00 0.00 177.57 178.09 1fi9 h GLU 4 N 0.97 -1.04 -0.72 1.57 4.39 -1.93 0.11 114.58 117.93 1fi9 h GLU 4 Ca 0.23 0.07 0.05 0.00 0.34 0.00 0.00 59.36 60.05 1fi9 h GLU 4 Cb 0.19 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1fi9 h GLU 4 CO -0.02 -0.68 0.43 0.87 -1.16 0.00 0.00 179.01 178.45 1fi9 h LYS 5 N -1.22 0.77 -0.75 2.33 1.57 -1.92 -0.92 116.57 116.44 1fi9 h LYS 5 Ca -0.11 -0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.79 1fi9 h LYS 5 Cb 0.84 -0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 1fi9 h LYS 5 CO 0.18 0.51 0.22 0.78 -0.57 0.00 0.00 179.45 180.57 1fi9 h GLY 6 N 0.80 1.09 0.85 3.86 0.00 -0.53 0.37 103.07 109.51 1fi9 h GLY 6 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1fi9 h GLY 6 CO -0.16 -0.19 -0.22 1.70 0.00 0.00 0.00 176.54 177.67 1fi9 h LYS 7 N 0.31 -0.50 -0.77 4.80 3.64 0.55 -0.39 116.57 124.19 1fi9 h LYS 7 Ca 0.43 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.79 1fi9 h LYS 7 Cb 0.73 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1fi9 h LYS 7 CO -0.50 -0.34 0.29 0.87 -2.27 0.00 0.00 179.45 177.51 1fi9 h LYS 8 N -0.52 1.17 0.70 1.90 1.79 -0.36 -1.78 116.57 119.47 1fi9 h LYS 8 Ca -0.03 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1fi9 h LYS 8 Cb 0.45 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1fi9 h LYS 8 CO 0.01 0.96 -0.47 0.82 -1.08 0.00 0.00 179.45 179.69 1fi9 h ILE 9 N 1.13 0.00 -0.78 1.86 2.04 -0.03 0.41 117.51 122.15 1fi9 h ILE 9 Ca 0.26 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.30 1fi9 h ILE 9 Cb 0.24 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.20 1fi9 h ILE 9 CO -0.02 0.00 0.14 0.15 0.00 0.00 0.00 178.15 178.42 1fi9 h PHE 10 N -1.12 0.20 0.00 1.37 3.57 -0.89 0.43 116.94 120.50 1fi9 h PHE 10 Ca -0.09 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1fi9 h PHE 10 Cb 0.91 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1fi9 h PHE 10 CO -0.13 -0.16 -0.36 0.28 -2.23 0.00 0.00 178.31 175.71 1fi9 h VAL 11 N 0.21 1.08 0.00 1.41 2.07 -0.85 0.10 116.25 120.27 1fi9 h VAL 11 Ca 0.45 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1fi9 h VAL 11 Cb 0.81 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1fi9 h VAL 11 CO -0.59 0.35 -0.96 0.00 0.02 0.00 0.00 177.57 176.39 1fi9 n GLN 12 N -3.86 0.05 -0.07 1.57 1.13 0.14 -4.41 117.38 111.93 1fi9 n GLN 12 Ca -0.01 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 54.90 1fi9 n GLN 12 Cb 0.42 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.22 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 -1.57 0.32 0.00 -1.09 4.01 0.13 -5.00 118.16 114.96 1fi9 n LYS 13 Ca 0.04 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1fi9 n LYS 13 Cb 0.35 -1.04 0.00 0.00 -0.51 0.00 0.00 35.03 33.83 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 -1.89 0.00 -1.01 0.00 0.00 -0.41 -3.86 120.51 113.34 1fi9 n ALA 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1fi9 n ALA 15 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 2.79 0.00 0.00 6.02 -1.26 -2.09 117.38 122.84 1fi9 n GLN 16 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.19 1fi9 n GLN 16 Cb 0.00 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 28.64 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s HIS 18 N -0.84 1.75 -0.01 0.00 3.76 -0.89 -0.98 115.29 118.09 1fi9 s HIS 18 Ca 0.00 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 1fi9 s HIS 18 Cb 0.00 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.76 1fi9 s HIS 18 CO 0.00 0.23 -0.05 0.99 -0.85 0.00 0.00 174.74 175.06 1fi9 s THR 19 N -1.48 0.41 -0.46 1.30 2.01 -1.26 -4.24 115.64 111.91 1fi9 s THR 19 Ca 0.09 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1fi9 s THR 19 Cb -0.08 -0.36 0.40 0.00 0.01 0.00 0.00 72.50 72.46 1fi9 s THR 19 CO 0.05 0.13 1.02 1.33 -0.69 0.00 0.00 174.62 176.46 1fi9 n VAL 20 N 3.13 2.25 -4.18 3.82 0.24 -1.26 0.40 118.33 122.73 1fi9 n VAL 20 Ca -0.15 -4.88 -0.12 0.00 -2.04 0.00 0.00 64.34 57.16 1fi9 n VAL 20 Cb 0.57 -1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 31.83 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fi9 s GLU 21 N -3.40 1.23 0.00 7.34 0.41 -1.26 -4.02 118.70 119.00 1fi9 s GLU 21 Ca 0.45 -1.58 0.29 0.00 -0.41 0.00 0.00 54.97 53.73 1fi9 s GLU 21 Cb 0.37 0.29 1.58 0.00 -1.78 0.00 0.00 34.13 34.59 1fi9 s GLU 21 CO -0.14 -0.41 2.05 0.36 -0.49 0.00 0.00 175.26 176.62 1fi9 n LYS 22 N -0.28 0.60 0.00 1.61 0.00 -1.26 -3.03 118.16 115.80 1fi9 n LYS 22 Ca 0.01 0.01 0.11 0.00 -0.00 0.00 0.00 58.31 58.44 1fi9 n LYS 22 Cb 0.65 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 34.19 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 1.07 0.13 3.76 2.58 0.00 -1.26 -4.99 105.19 106.47 1fi9 n GLY 23 Ca 0.17 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 1.36 1.22 0.00 -0.02 0.00 -1.17 -5.02 105.19 101.56 1fi9 n GLY 24 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.27 1.96 0.00 1.61 5.02 -1.26 -4.83 118.16 121.92 1fi9 n LYS 25 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1fi9 n LYS 25 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fi9 n HIS 26 N -0.52 0.00 -3.10 2.13 8.25 -1.26 -3.72 115.22 117.00 1fi9 n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fi9 n HIS 26 Cb 0.00 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -1.67 0.00 0.10 -0.41 5.02 -1.26 -4.13 118.16 115.81 1fi9 n LYS 27 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1fi9 n LYS 27 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1fi9 h THR 28 N 0.00 0.00 -3.20 -0.18 2.02 -1.95 -3.43 112.91 106.17 1fi9 h THR 28 Ca 0.00 -0.27 -0.56 0.00 0.77 0.00 0.00 66.41 66.36 1fi9 h THR 28 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1fi9 h THR 28 CO 0.00 0.00 0.61 -0.83 0.37 0.00 0.00 175.52 175.67 1fi9 s GLY 29 N -2.19 2.28 0.64 2.16 0.00 -0.15 -5.00 107.32 105.07 1fi9 s GLY 29 Ca -0.04 0.46 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 1fi9 s GLY 29 CO 0.12 2.01 1.26 2.56 0.00 0.00 0.00 173.10 179.05 1fi9 s PRO 30 N 2.05 2.65 -0.46 2.90 0.04 -1.26 -4.39 135.00 136.53 1fi9 s PRO 30 Ca 0.51 1.96 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 1fi9 s PRO 30 Cb -0.21 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1fi9 s PRO 30 CO 0.20 -1.49 2.38 -1.71 0.04 0.00 0.00 177.00 176.41 1fi9 n ASN 31 N -1.87 2.35 -3.18 6.66 4.05 -1.24 -4.36 115.26 117.67 1fi9 n ASN 31 Ca 0.15 -0.22 -0.36 0.00 0.45 0.00 0.00 54.58 54.60 1fi9 n ASN 31 Cb 0.49 -1.50 -0.04 0.00 1.23 0.00 0.00 39.78 39.95 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1fi9 n LEU 32 N 14.08 8.24 -2.44 1.20 4.77 0.16 -4.64 117.00 138.37 1fi9 n LEU 32 Ca 0.38 -4.17 -0.32 0.00 -0.03 0.00 0.00 56.01 51.87 1fi9 n LEU 32 Cb 0.46 -1.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1fi9 n LEU 32 CO 0.72 1.96 1.46 1.57 -1.33 0.00 0.00 177.39 181.77 1fi9 n HIS 33 N 3.51 2.64 0.00 -1.77 -0.00 -1.26 -4.12 115.22 114.22 1fi9 n HIS 33 Ca 0.74 -2.50 0.00 0.00 0.46 0.00 0.00 57.72 56.41 1fi9 n HIS 33 Cb 0.29 -1.29 0.00 0.00 -0.12 0.00 0.00 29.99 28.87 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 -0.35 0.00 0.22 1.57 0.00 -1.19 -4.85 105.19 100.60 1fi9 n GLY 34 Ca 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.40 -8.97 0.99 5.85 -1.83 -3.37 115.31 107.57 1fi9 h LEU 35 Ca 0.00 -0.15 -0.57 0.00 0.84 0.00 0.00 57.88 58.00 1fi9 h LEU 35 Cb 0.00 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1fi9 h LEU 35 CO 0.00 -0.04 0.96 -0.36 -0.34 0.00 0.00 178.44 178.66 1fi9 s PHE 36 N -4.67 2.72 0.00 1.25 0.40 -1.25 -3.19 117.98 113.24 1fi9 s PHE 36 Ca -0.14 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 1fi9 s PHE 36 Cb 0.02 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.69 1fi9 s PHE 36 CO 0.53 -1.67 0.00 0.41 0.70 0.00 0.00 175.22 175.19 1fi9 n GLY 37 N 4.23 1.28 3.24 4.36 0.00 -1.26 -4.95 105.19 112.08 1fi9 n GLY 37 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 0.53 1.04 1.61 3.52 -1.19 -5.13 118.95 119.28 1fi9 s ARG 38 Ca 0.00 0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.60 1fi9 s ARG 38 Cb 0.00 0.24 0.23 0.00 -1.56 0.00 0.00 34.95 33.86 1fi9 s ARG 38 CO 0.00 -0.11 1.25 0.15 -0.81 0.00 0.00 175.30 175.77 1fi9 s LYS 39 N -0.51 0.05 1.17 5.12 1.02 -1.26 -4.02 119.74 121.30 1fi9 s LYS 39 Ca -0.06 -0.27 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 1fi9 s LYS 39 Cb -0.04 -1.76 0.27 0.00 -0.52 0.00 0.00 37.83 35.78 1fi9 s LYS 39 CO 0.02 -2.83 1.05 0.95 -0.92 0.00 0.00 175.35 173.62 1fi9 s THR 40 N -3.58 1.77 -1.60 2.17 -4.23 -0.18 -4.06 115.64 105.94 1fi9 s THR 40 Ca 0.73 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1fi9 s THR 40 Cb -0.06 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.56 1fi9 s THR 40 CO 0.54 0.00 0.56 0.61 -0.54 0.00 0.00 174.62 175.79 1fi9 n GLY 41 N -0.15 -0.33 2.88 3.99 0.00 -1.24 -4.81 105.19 105.53 1fi9 n GLY 41 Ca 0.08 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1fi9 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fi9 s GLN 42 N -6.88 0.72 0.06 1.61 -1.52 -1.26 -4.85 119.66 107.54 1fi9 s GLN 42 Ca 0.41 -0.74 0.04 0.00 -1.95 0.00 0.00 55.36 53.13 1fi9 s GLN 42 Cb -0.23 -0.49 -0.03 0.00 -0.22 0.00 0.00 33.01 32.05 1fi9 s GLN 42 CO 0.93 -1.20 -0.13 0.00 -0.25 0.00 0.00 175.29 174.64 1fi9 s ALA 43 N 1.49 1.05 -0.03 6.09 0.00 -1.26 -4.93 121.76 124.17 1fi9 s ALA 43 Ca 0.17 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1fi9 s ALA 43 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1fi9 s ALA 43 CO -0.04 0.14 1.36 -1.25 0.00 0.00 0.00 175.76 175.97 1fi9 s PRO 44 N -1.54 4.29 -1.45 0.00 0.04 -1.26 -3.89 135.00 131.18 1fi9 s PRO 44 Ca -0.03 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1fi9 s PRO 44 Cb -0.09 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1fi9 s PRO 44 CO 0.02 -0.57 0.27 0.41 0.04 0.00 0.00 177.00 177.17 1fi9 n GLY 45 N 3.60 -0.20 0.00 0.56 0.00 -1.26 -4.85 105.19 103.03 1fi9 n GLY 45 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.48 0.00 -2.10 1.61 7.35 -1.25 -4.93 117.46 113.66 1fi9 n PHE 46 Ca -0.31 -0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.30 1fi9 n PHE 46 Cb 0.69 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.51 1fi9 n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1fi9 n THR 47 N -0.07 0.00 -4.04 -2.13 5.66 -1.26 -4.85 114.28 107.58 1fi9 n THR 47 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1fi9 n THR 47 Cb 0.30 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.93 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1fi9 s TYR 48 N 0.00 0.32 -0.10 1.09 2.02 -1.26 -4.59 117.35 114.83 1fi9 s TYR 48 Ca 0.00 -0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1fi9 s TYR 48 Cb 0.00 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1fi9 s TYR 48 CO 0.00 -0.03 0.18 0.99 -1.57 0.00 0.00 175.55 175.12 1fi9 s THR 49 N 0.11 5.44 -0.61 -0.71 2.01 -1.26 -4.99 115.64 115.64 1fi9 s THR 49 Ca -0.01 0.28 -0.24 0.00 0.31 0.00 0.00 61.69 62.03 1fi9 s THR 49 Cb -0.04 -3.45 -0.21 0.00 0.01 0.00 0.00 72.50 68.82 1fi9 s THR 49 CO -0.00 0.60 1.85 0.47 -0.69 0.00 0.00 174.62 176.85 1fi9 n ASP 50 N 1.91 2.18 0.00 3.53 8.00 -1.26 -1.47 116.55 129.45 1fi9 n ASP 50 Ca -0.19 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.67 1fi9 n ASP 50 Cb 0.55 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fi9 n ALA 51 N 7.91 0.00 -0.05 2.24 0.00 -1.26 -4.76 120.51 124.59 1fi9 n ALA 51 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 1fi9 n ALA 51 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 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 0.03 -0.45 0.00 -1.24 -1.59 -3.06 115.58 109.27 1fi9 h ASN 52 Ca 0.00 -0.87 -0.03 0.00 0.71 0.00 0.00 56.30 56.11 1fi9 h ASN 52 Cb 0.00 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1fi9 h ASN 52 CO 0.00 0.90 0.19 0.50 -1.29 0.00 0.00 177.43 177.73 1fi9 h LYS 53 N -0.83 0.72 0.00 6.67 3.64 -1.80 -0.51 116.57 124.46 1fi9 h LYS 53 Ca -0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1fi9 h LYS 53 Cb 0.91 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1fi9 h LYS 53 CO 0.01 0.60 0.00 -0.97 -2.27 0.00 0.00 179.45 176.82 1fi9 h ASN 54 N 0.71 0.00 0.32 4.20 -0.73 -1.79 -3.21 115.58 115.08 1fi9 h ASN 54 Ca 0.17 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 1fi9 h ASN 54 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1fi9 h ASN 54 CO -0.02 0.00 -0.15 0.50 -0.37 0.00 0.00 177.43 177.39 1fi9 h LYS 55 N 0.00 -0.41 -4.73 6.67 3.64 -0.97 -3.49 116.57 117.28 1fi9 h LYS 55 Ca 0.00 0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.16 1fi9 h LYS 55 Cb 0.28 0.09 0.13 0.00 -0.41 0.00 0.00 32.23 32.32 1fi9 h LYS 55 CO 0.00 -0.16 -0.58 0.41 -2.27 0.00 0.00 179.45 176.85 1fi9 n GLY 56 N 0.47 -0.17 3.52 5.01 0.00 -1.22 -5.04 105.19 107.77 1fi9 n GLY 56 Ca -0.07 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.27 0.54 0.64 -0.61 -4.36 -1.26 -4.94 121.20 107.94 1fi9 s ILE 57 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 1fi9 s ILE 57 Cb -0.00 -2.31 0.10 0.00 1.25 0.00 0.00 42.46 41.49 1fi9 s ILE 57 CO 0.55 0.00 0.89 0.42 0.24 0.00 0.00 174.94 177.04 1fi9 s THR 58 N -3.19 2.28 -0.31 8.37 -4.23 -1.26 -1.01 115.64 116.29 1fi9 s THR 58 Ca 0.23 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 60.02 1fi9 s THR 58 Cb 0.02 -2.57 0.10 0.00 1.34 0.00 0.00 72.50 71.39 1fi9 s THR 58 CO 0.15 0.00 0.12 0.26 -0.54 0.00 0.00 174.62 174.61 1fi9 s TRP 59 N -2.94 1.20 -0.42 3.99 0.52 -1.26 -4.79 118.94 115.25 1fi9 s TRP 59 Ca 0.63 -1.47 0.09 0.00 0.02 0.00 0.00 56.10 55.37 1fi9 s TRP 59 Cb -0.07 -1.41 0.31 0.00 -1.15 0.00 0.00 33.47 31.15 1fi9 s TRP 59 CO 0.42 -0.86 0.84 0.36 0.02 0.00 0.00 176.95 177.73 1fi9 n LYS 60 N 4.89 0.92 0.00 4.98 2.85 -1.26 -3.86 118.16 126.68 1fi9 n LYS 60 Ca -0.02 -2.66 0.00 0.00 -1.05 0.00 0.00 58.31 54.58 1fi9 n LYS 60 Cb 0.41 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 1fi9 n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1fi9 n GLU 61 N 0.68 0.00 -0.26 -1.58 0.00 -1.26 -4.53 120.64 113.68 1fi9 n GLU 61 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.29 1fi9 n GLU 61 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.07 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1fi9 n GLU 62 N 0.00 -0.21 -0.05 5.31 -0.58 -1.26 0.01 120.64 123.86 1fi9 n GLU 62 Ca 0.00 0.99 -0.13 0.00 -0.42 0.00 0.00 57.16 57.61 1fi9 n GLU 62 Cb 0.00 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1fi9 h THR 63 N 0.00 1.33 -0.51 2.62 1.35 -1.87 -3.16 112.91 112.67 1fi9 h THR 63 Ca 0.17 -1.16 0.09 0.00 -0.55 0.00 0.00 66.41 64.96 1fi9 h THR 63 Cb 0.34 1.80 -0.07 0.00 -1.73 0.00 0.00 68.15 68.49 1fi9 h THR 63 CO -0.63 0.34 0.08 -0.07 -0.25 0.00 0.00 175.52 174.99 1fi9 h LEU 64 N -0.06 -0.04 -1.16 3.87 4.07 -0.76 0.11 115.31 121.34 1fi9 h LEU 64 Ca 0.03 0.10 0.30 0.00 0.08 0.00 0.00 57.88 58.39 1fi9 h LEU 64 Cb 0.57 0.14 -0.12 0.00 1.08 0.00 0.00 40.66 42.33 1fi9 h LEU 64 CO 0.02 0.01 0.64 0.24 -1.08 0.00 0.00 178.44 178.27 1fi9 h MET 65 N 0.21 0.37 0.00 1.13 2.86 -0.38 0.19 114.93 119.32 1fi9 h MET 65 Ca 0.26 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1fi9 h MET 65 Cb 0.36 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1fi9 h MET 65 CO -0.35 0.25 -0.33 0.93 1.06 0.00 0.00 176.91 178.47 1fi9 h GLU 66 N 0.38 0.00 -0.50 1.72 4.39 -1.33 -3.27 114.58 115.97 1fi9 h GLU 66 Ca 0.68 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.48 1fi9 h GLU 66 Cb 1.63 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.18 1fi9 h GLU 66 CO -0.46 0.30 -0.13 -0.92 -1.16 0.00 0.00 179.01 176.65 1fi9 h TYR 67 N -1.00 -0.28 0.00 4.33 3.20 -0.32 0.23 116.97 123.13 1fi9 h TYR 67 Ca -0.05 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1fi9 h TYR 67 Cb 0.50 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1fi9 h TYR 67 CO -0.01 -0.22 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.11 1fi9 h LEU 68 N -0.01 0.00 -2.24 2.82 3.38 -0.84 -1.42 115.31 116.99 1fi9 h LEU 68 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1fi9 h LEU 68 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1fi9 h LEU 68 CO -0.52 0.11 0.00 -0.62 0.09 0.00 0.00 178.44 177.50 1fi9 n GLU 69 N -3.32 2.42 -2.71 1.13 -0.58 0.59 -4.33 120.64 113.85 1fi9 n GLU 69 Ca -0.00 -2.20 -0.07 0.00 -0.42 0.00 0.00 57.16 54.47 1fi9 n GLU 69 Cb 0.32 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.80 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1fi9 n ASN 70 N 1.31 -1.94 -0.85 1.62 3.02 0.04 -4.84 115.26 113.62 1fi9 n ASN 70 Ca 0.20 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 1fi9 n ASN 70 Cb 0.53 1.61 0.07 0.00 -0.61 0.00 0.00 39.78 41.39 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 0.30 1.64 -2.76 3.52 -0.04 -0.90 -2.29 135.00 134.48 1fi9 n PRO 71 Ca 0.01 -0.59 -0.02 0.00 -0.04 0.00 0.00 63.50 62.86 1fi9 n PRO 71 Cb 0.73 -1.57 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.13 1.52 0.00 0.54 -0.00 -1.26 -4.16 118.16 114.93 1fi9 n LYS 72 Ca 0.06 -2.77 0.00 0.00 -0.00 0.00 0.00 58.31 55.60 1fi9 n LYS 72 Cb 0.48 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.59 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 -0.77 0.00 0.16 -1.58 0.00 -0.97 -4.81 118.16 110.20 1fi9 n LYS 73 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1fi9 n LYS 73 Cb 0.83 -0.31 -0.07 0.00 0.00 0.00 0.00 35.03 35.48 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 -0.92 -2.23 5.64 0.05 -1.92 -3.44 116.97 114.15 1fi9 h TYR 74 Ca 0.00 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1fi9 h TYR 74 Cb 0.06 0.38 -0.23 0.00 1.01 0.00 0.00 36.73 37.94 1fi9 h TYR 74 CO 0.00 -0.46 -0.21 -1.50 -1.05 0.00 0.00 178.16 174.94 1fi9 s ILE 75 N -6.00 -0.73 -1.38 -2.88 1.10 -1.26 -5.07 121.20 104.98 1fi9 s ILE 75 Ca -0.16 0.07 -0.14 0.00 -0.51 0.00 0.00 60.65 59.91 1fi9 s ILE 75 Cb 0.07 -0.86 -0.02 0.00 0.15 0.00 0.00 42.46 41.81 1fi9 s ILE 75 CO 0.64 0.03 2.34 -0.81 -2.11 0.00 0.00 174.94 175.02 1fi9 n PRO 76 N 5.26 2.82 -0.85 3.50 -0.04 -1.26 -3.92 135.00 140.52 1fi9 n PRO 76 Ca -0.12 -2.37 -0.01 0.00 -0.04 0.00 0.00 63.50 60.96 1fi9 n PRO 76 Cb 0.50 -3.10 -0.01 0.00 -0.04 0.00 0.00 33.50 30.85 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 4.03 0.75 3.96 0.55 0.00 -1.26 -5.12 105.19 108.10 1fi9 n GLY 77 Ca 0.57 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 1fi9 n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fi9 n THR 78 N 0.12 0.00 -0.00 2.61 -2.24 -1.25 -4.61 114.28 108.90 1fi9 n THR 78 Ca -0.04 -2.08 -0.08 0.00 -2.27 0.00 0.00 64.05 59.58 1fi9 n THR 78 Cb 0.76 -0.32 0.09 0.00 -2.10 0.00 0.00 70.33 68.76 1fi9 n THR 78 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1fi9 h LYS 79 N 0.00 0.55 -3.44 -0.78 -0.00 -1.96 -3.50 116.57 107.44 1fi9 h LYS 79 Ca -0.31 -0.31 0.00 0.00 -0.00 0.00 0.00 60.65 60.04 1fi9 h LYS 79 Cb 1.29 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 1fi9 h LYS 79 CO 0.46 0.90 -0.74 -0.12 -0.00 0.00 0.00 179.45 179.94 1fi9 n MET 80 N -4.00 -4.25 -0.17 0.07 0.00 -1.26 -5.11 117.12 102.39 1fi9 n MET 80 Ca -0.02 3.10 0.00 0.00 -0.00 0.00 0.00 57.70 60.78 1fi9 n MET 80 Cb 0.55 -3.29 0.00 0.00 0.00 0.00 0.00 33.22 30.48 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 1.02 0.00 -0.96 1.12 -5.35 -1.26 -5.10 119.36 108.82 1fi9 n ILE 81 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1fi9 n ILE 81 Cb 0.00 -0.04 0.08 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.47 -0.20 4.28 1.16 -1.26 -4.89 117.46 114.08 1fi9 n PHE 82 Ca 0.00 0.19 -0.10 0.00 -1.87 0.00 0.00 57.45 55.66 1fi9 n PHE 82 Cb 0.00 -1.70 -0.06 0.00 -1.61 0.00 0.00 39.48 36.10 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 -1.11 -0.50 -1.46 1.98 0.00 -1.97 -3.47 119.26 112.73 1fi9 h ALA 83 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1fi9 h ALA 83 Cb 1.31 1.05 0.00 0.00 0.00 0.00 0.00 17.79 20.15 1fi9 h ALA 83 CO 0.33 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 179.07 1fi9 n GLY 84 N -1.38 1.00 0.00 0.00 0.00 -1.26 -4.30 105.19 99.24 1fi9 n GLY 84 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.00 0.03 -0.61 2.08 -1.26 -4.96 119.36 114.64 1fi9 n ILE 85 Ca 0.00 0.63 0.00 0.00 0.56 0.00 0.00 62.75 63.94 1fi9 n ILE 85 Cb 0.00 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 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 -0.49 0.00 0.00 0.38 5.02 -1.26 -5.09 118.16 116.73 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 -2.69 0.00 -0.07 1.97 2.85 -1.26 -5.06 118.16 113.90 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 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 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 0.69 0.06 -1.58 2.85 -1.26 -4.07 118.16 114.86 1fi9 n LYS 88 Ca 0.00 0.21 -0.03 0.00 -1.05 0.00 0.00 58.31 57.44 1fi9 n LYS 88 Cb 0.00 -1.60 -0.02 0.00 -0.65 0.00 0.00 35.03 32.76 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 89 N -0.02 0.00 -0.67 0.58 2.02 -1.99 0.08 112.91 112.90 1fi9 h THR 89 Ca -0.51 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.78 1fi9 h THR 89 Cb 1.94 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.26 1fi9 h THR 89 CO -0.03 0.00 0.25 -0.33 0.37 0.00 0.00 175.52 175.78 1fi9 h GLU 90 N -0.19 0.40 -0.66 6.66 3.07 -1.99 -0.56 114.58 121.32 1fi9 h GLU 90 Ca -0.01 -0.02 0.13 0.00 -0.50 0.00 0.00 59.36 58.95 1fi9 h GLU 90 Cb 0.16 -0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 27.89 1fi9 h GLU 90 CO 0.00 0.26 0.17 -0.09 -1.40 0.00 0.00 179.01 177.96 1fi9 h ARG 91 N 0.41 0.29 0.43 2.33 9.65 -1.66 0.95 114.38 126.77 1fi9 h ARG 91 Ca 0.35 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.19 1fi9 h ARG 91 Cb 0.48 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1fi9 h ARG 91 CO -0.35 0.19 -0.21 1.49 2.80 0.00 0.00 179.97 183.89 1fi9 h GLU 92 N 0.30 -0.56 -0.64 0.20 4.22 0.61 -0.23 114.58 118.48 1fi9 h GLU 92 Ca 0.35 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.96 1fi9 h GLU 92 Cb 0.54 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.80 1fi9 h GLU 92 CO -0.43 -0.35 -0.18 -0.44 -2.18 0.00 0.00 179.01 175.43 1fi9 h ASP 93 N -0.61 -0.66 -0.17 1.04 5.19 -0.99 0.17 116.42 120.38 1fi9 h ASP 93 Ca -0.06 0.20 0.05 0.00 -0.62 0.00 0.00 57.03 56.60 1fi9 h ASP 93 Cb 0.46 0.42 -0.07 0.00 0.18 0.00 0.00 39.33 40.32 1fi9 h ASP 93 CO 0.10 -0.23 -0.42 0.25 -3.12 0.00 0.00 179.24 175.82 1fi9 h LEU 94 N -0.02 -1.33 -0.66 1.55 6.46 -0.18 0.08 115.31 121.22 1fi9 h LEU 94 Ca 0.30 0.18 0.14 0.00 -0.12 0.00 0.00 57.88 58.38 1fi9 h LEU 94 Cb 0.49 0.55 -0.11 0.00 -0.73 0.00 0.00 40.66 40.85 1fi9 h LEU 94 CO -0.67 -0.42 0.03 0.40 -0.62 0.00 0.00 178.44 177.16 1fi9 h ILE 95 N -0.47 0.47 -0.33 4.05 5.03 -0.01 -0.76 117.51 125.50 1fi9 h ILE 95 Ca 0.08 -0.05 0.05 0.00 -0.12 0.00 0.00 64.86 64.83 1fi9 h ILE 95 Cb 0.62 0.32 -0.05 0.00 -3.03 0.00 0.00 36.82 34.68 1fi9 h ILE 95 CO -0.42 0.03 0.02 0.00 -0.68 0.00 0.00 178.15 177.10 1fi9 h ALA 96 N 1.59 0.31 0.49 1.87 0.00 0.93 0.15 119.26 124.60 1fi9 h ALA 96 Ca 0.35 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1fi9 h ALA 96 Cb 0.58 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1fi9 h ALA 96 CO -0.55 -0.38 -0.39 -0.92 0.00 0.00 0.00 179.25 177.01 1fi9 h TYR 97 N 0.12 -1.06 -0.94 0.00 3.20 -0.93 -3.18 116.97 114.18 1fi9 h TYR 97 Ca 0.16 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.26 1fi9 h TYR 97 Cb 0.20 0.40 -0.17 0.00 1.54 0.00 0.00 36.73 38.70 1fi9 h TYR 97 CO -0.22 -0.54 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.64 1fi9 h LEU 98 N -0.85 -0.56 -0.58 2.82 4.07 -0.21 0.21 115.31 120.21 1fi9 h LEU 98 Ca -0.06 0.27 0.08 0.00 0.08 0.00 0.00 57.88 58.25 1fi9 h LEU 98 Cb 0.71 0.49 -0.10 0.00 1.08 0.00 0.00 40.66 42.83 1fi9 h LEU 98 CO 0.01 -0.31 -0.46 0.11 -1.08 0.00 0.00 178.44 176.71 1fi9 h LYS 99 N 0.03 -0.23 -0.07 1.13 1.57 -0.73 0.53 116.57 118.81 1fi9 h LYS 99 Ca 0.53 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1fi9 h LYS 99 Cb 0.99 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1fi9 h LYS 99 CO -0.89 -0.15 -0.13 -0.22 -0.57 0.00 0.00 179.45 177.49 1fi9 h LYS 100 N -0.24 0.21 0.18 3.15 3.64 -0.91 -3.20 116.57 119.40 1fi9 h LYS 100 Ca 0.17 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1fi9 h LYS 100 Cb 0.56 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1fi9 h LYS 100 CO -0.69 0.72 -0.19 0.00 -2.27 0.00 0.00 179.45 177.02 1fi9 h ALA 101 N 0.49 -0.38 -0.72 5.00 0.00 -0.13 0.12 119.26 123.65 1fi9 h ALA 101 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1fi9 h ALA 101 Cb 0.71 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1fi9 h ALA 101 CO 0.03 -0.74 0.36 1.79 0.00 0.00 0.00 179.25 180.69 1fi9 h THR 102 N -0.41 1.22 -0.14 0.00 1.35 -1.05 -2.41 112.91 111.49 1fi9 h THR 102 Ca 0.00 -0.60 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1fi9 h THR 102 Cb 0.39 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 1fi9 h THR 102 CO -0.06 0.26 0.08 -1.13 -0.25 0.00 0.00 175.52 174.42 1fi9 h ASN 103 N 1.01 0.16 0.00 5.36 -0.73 -1.33 -3.14 115.58 116.91 1fi9 h ASN 103 Ca 0.25 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1fi9 h ASN 103 Cb 0.07 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1fi9 h ASN 103 CO -0.04 0.17 0.00 -0.62 -0.37 0.00 0.00 177.43 176.57