#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 6.86 0.20 1.61 -1.08 -1.26 -4.70 116.67 118.30 1fi9 s ASP 2 Ca 0.00 1.51 -0.09 0.00 -0.52 0.00 0.00 52.55 53.45 1fi9 s ASP 2 Cb 0.00 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 39.05 1fi9 s ASP 2 CO 0.00 -0.86 1.76 0.58 0.52 0.00 0.00 175.17 177.17 1fi9 h VAL 3 N 5.65 1.25 0.75 1.11 2.07 -1.84 0.19 116.25 125.43 1fi9 h VAL 3 Ca -0.26 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1fi9 h VAL 3 Cb 1.10 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1fi9 h VAL 3 CO 0.99 0.32 -0.36 -0.33 0.02 0.00 0.00 177.57 178.21 1fi9 h GLU 4 N 1.05 -0.97 -0.35 1.57 5.08 -1.92 0.29 114.58 119.32 1fi9 h GLU 4 Ca 0.24 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1fi9 h GLU 4 Cb 0.22 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1fi9 h GLU 4 CO -0.02 -0.63 0.23 0.87 -1.00 0.00 0.00 179.01 178.46 1fi9 h LYS 5 N -1.17 0.45 -0.92 2.33 1.57 -1.92 -2.22 116.57 114.71 1fi9 h LYS 5 Ca -0.10 -0.03 0.26 0.00 -1.87 0.00 0.00 60.65 58.91 1fi9 h LYS 5 Cb 0.79 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 32.84 1fi9 h LYS 5 CO 0.17 0.30 0.20 0.78 -0.57 0.00 0.00 179.45 180.33 1fi9 h GLY 6 N 0.47 1.40 1.00 3.86 0.00 -0.49 0.42 103.07 109.74 1fi9 h GLY 6 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1fi9 h GLY 6 CO -0.04 -0.45 -0.19 1.70 0.00 0.00 0.00 176.54 177.57 1fi9 h LYS 7 N 0.13 -0.51 -0.58 4.80 3.64 -0.33 -0.35 116.57 123.37 1fi9 h LYS 7 Ca 0.59 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.91 1fi9 h LYS 7 Cb 1.24 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1fi9 h LYS 7 CO -0.74 -0.34 -0.00 0.87 -2.27 0.00 0.00 179.45 176.97 1fi9 h LYS 8 N -0.53 1.00 0.56 1.90 6.56 -0.54 -2.64 116.57 122.88 1fi9 h LYS 8 Ca -0.05 -0.31 -0.02 0.00 -1.06 0.00 0.00 60.65 59.21 1fi9 h LYS 8 Cb 0.41 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 1fi9 h LYS 8 CO 0.09 0.98 -0.48 0.82 -2.06 0.00 0.00 179.45 178.80 1fi9 h ILE 9 N 0.92 0.05 -0.95 1.86 2.04 -0.05 0.56 117.51 121.93 1fi9 h ILE 9 Ca 0.17 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.32 1fi9 h ILE 9 Cb 0.54 0.05 -0.15 0.00 -0.74 0.00 0.00 36.82 36.51 1fi9 h ILE 9 CO 0.03 0.00 0.39 0.15 0.00 0.00 0.00 178.15 178.71 1fi9 h PHE 10 N -1.02 0.60 0.00 1.37 3.57 -0.96 0.46 116.94 120.96 1fi9 h PHE 10 Ca -0.07 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1fi9 h PHE 10 Cb 0.87 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1fi9 h PHE 10 CO -0.21 -0.25 -0.48 0.28 -2.23 0.00 0.00 178.31 175.41 1fi9 h VAL 11 N 0.21 0.90 -0.01 1.41 2.07 -0.91 0.36 116.25 120.28 1fi9 h VAL 11 Ca 0.67 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1fi9 h VAL 11 Cb 1.48 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1fi9 h VAL 11 CO -0.68 0.48 -0.57 0.00 0.02 0.00 0.00 177.57 176.82 1fi9 n GLN 12 N -3.32 0.76 -0.05 1.57 1.13 0.19 -4.40 117.38 113.27 1fi9 n GLN 12 Ca 0.01 -0.60 -0.10 0.00 -1.94 0.00 0.00 57.00 54.38 1fi9 n GLN 12 Cb 0.67 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.50 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 -0.60 0.21 0.00 -1.09 4.76 0.13 -5.02 118.16 116.56 1fi9 n LYS 13 Ca 0.08 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1fi9 n LYS 13 Cb 0.41 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 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 -1.61 0.00 -0.97 0.00 0.00 -0.10 -3.47 120.51 114.36 1fi9 n ALA 15 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 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 2.03 0.00 0.00 1.13 -1.26 -2.79 117.38 116.49 1fi9 n GLN 16 Ca 0.00 -1.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.01 1fi9 n GLN 16 Cb 0.00 -2.04 0.00 0.00 0.11 0.00 0.00 30.24 28.31 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 -0.99 2.40 -0.03 0.00 3.76 -1.12 -1.00 115.29 118.32 1fi9 s HIS 18 Ca 0.00 -0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1fi9 s HIS 18 Cb 0.00 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.56 1fi9 s HIS 18 CO 0.00 0.55 0.06 0.99 -0.85 0.00 0.00 174.74 175.49 1fi9 s THR 19 N -1.88 -0.03 -0.20 1.30 2.01 -1.26 -4.29 115.64 111.29 1fi9 s THR 19 Ca 0.24 0.12 0.13 0.00 0.31 0.00 0.00 61.69 62.49 1fi9 s THR 19 Cb -0.07 -0.10 0.41 0.00 0.01 0.00 0.00 72.50 72.74 1fi9 s THR 19 CO 0.13 0.05 1.27 1.33 -0.69 0.00 0.00 174.62 176.70 1fi9 n VAL 20 N 3.69 2.20 -4.53 3.82 0.24 -1.26 -1.19 118.33 121.30 1fi9 n VAL 20 Ca -0.21 -2.78 -0.21 0.00 -2.04 0.00 0.00 64.34 59.11 1fi9 n VAL 20 Cb 0.55 -0.26 -0.15 0.00 -1.47 0.00 0.00 33.84 32.51 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 -3.11 0.99 0.42 7.34 -1.05 -1.26 -4.13 118.70 117.90 1fi9 s GLU 21 Ca 0.38 -0.47 -0.26 0.00 -0.15 0.00 0.00 54.97 54.48 1fi9 s GLU 21 Cb 0.35 -0.96 -0.09 0.00 -0.44 0.00 0.00 34.13 33.00 1fi9 s GLU 21 CO -0.02 0.26 1.36 0.15 0.95 0.00 0.00 175.26 177.96 1fi9 s LYS 22 N -0.36 3.85 -1.03 -4.83 -0.14 -1.26 -2.80 119.74 113.16 1fi9 s LYS 22 Ca 0.04 2.28 0.00 0.00 -1.36 0.00 0.00 55.97 56.93 1fi9 s LYS 22 Cb -0.05 -2.72 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1fi9 s LYS 22 CO -0.00 -0.63 0.00 0.41 -0.76 0.00 0.00 175.35 174.36 1fi9 n GLY 23 N 0.62 0.03 1.40 -3.33 0.00 -1.26 -4.92 105.19 97.73 1fi9 n GLY 23 Ca 0.04 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.07 2.92 1.67 -0.02 0.00 -1.12 -5.08 105.19 102.50 1fi9 n GLY 24 Ca -0.14 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 0.85 -2.19 -3.34 1.61 5.02 -1.26 -4.86 118.16 113.99 1fi9 n LYS 25 Ca 0.24 1.44 -0.11 0.00 -2.02 0.00 0.00 58.31 57.86 1fi9 n LYS 25 Cb 0.85 -2.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.11 1fi9 n LYS 25 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1fi9 s HIS 26 N -1.83 -0.83 0.00 2.13 -3.43 -1.26 -4.43 115.29 105.64 1fi9 s HIS 26 Ca 0.00 0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 1fi9 s HIS 26 Cb 0.00 -0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 1fi9 s HIS 26 CO 0.00 -0.88 0.00 1.63 -2.00 0.00 0.00 174.74 173.49 1fi9 n LYS 27 N 5.35 0.00 -0.01 -0.38 5.02 -1.26 -4.97 118.16 121.91 1fi9 n LYS 27 Ca -0.01 0.14 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1fi9 n LYS 27 Cb 0.49 -0.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.95 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 -1.88 0.77 -2.24 -0.18 -1.04 -1.26 -5.01 114.28 103.44 1fi9 n THR 28 Ca 0.00 0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.86 1fi9 n THR 28 Cb 0.00 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 66.84 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 -3.81 2.72 0.47 3.41 0.00 -0.17 -4.99 107.32 104.96 1fi9 s GLY 29 Ca -0.08 1.11 -0.23 0.00 0.00 0.00 0.00 44.72 45.52 1fi9 s GLY 29 CO 0.11 1.92 1.26 2.56 0.00 0.00 0.00 173.10 178.96 1fi9 s PRO 30 N -0.82 3.63 -0.61 2.90 0.04 -1.26 -4.65 135.00 134.23 1fi9 s PRO 30 Ca 0.52 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 1fi9 s PRO 30 Cb -0.36 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1fi9 s PRO 30 CO 0.43 -0.73 2.21 0.54 0.04 0.00 0.00 177.00 179.49 1fi9 s ASN 31 N -1.06 4.64 0.15 6.66 4.22 -1.26 -4.40 114.94 123.89 1fi9 s ASN 31 Ca 0.64 0.54 -0.28 0.00 -2.14 0.00 0.00 52.86 51.63 1fi9 s ASN 31 Cb -0.35 -2.52 -0.01 0.00 1.28 0.00 0.00 41.25 39.65 1fi9 s ASN 31 CO 0.43 -2.89 1.57 -0.07 -2.04 0.00 0.00 177.10 174.09 1fi9 h LEU 32 N 19.06 -1.49 -0.09 3.54 3.38 -1.50 -3.45 115.31 134.76 1fi9 h LEU 32 Ca -0.18 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1fi9 h LEU 32 Cb 1.17 0.64 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1fi9 h LEU 32 CO 1.16 -0.37 0.00 1.57 0.09 0.00 0.00 178.44 180.88 1fi9 n HIS 33 N -5.41 0.00 0.00 1.13 -0.00 -1.26 -2.11 115.22 107.57 1fi9 n HIS 33 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1fi9 n HIS 33 Cb 0.35 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 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 -0.02 1.57 0.32 1.57 0.00 0.16 -4.94 105.19 103.84 1fi9 n GLY 34 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.00 -8.69 0.99 5.85 -1.66 -3.37 115.31 107.43 1fi9 h LEU 35 Ca 0.00 0.18 -0.55 0.00 0.84 0.00 0.00 57.88 58.35 1fi9 h LEU 35 Cb 0.00 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1fi9 h LEU 35 CO 0.00 -0.31 1.16 -0.36 -0.34 0.00 0.00 178.44 178.59 1fi9 s PHE 36 N -6.02 2.13 0.00 1.25 0.40 -1.26 -3.30 117.98 111.18 1fi9 s PHE 36 Ca -0.15 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1fi9 s PHE 36 Cb 0.13 -4.27 0.00 0.00 0.51 0.00 0.00 43.02 39.39 1fi9 s PHE 36 CO 0.68 -2.23 0.00 0.41 0.70 0.00 0.00 175.22 174.78 1fi9 n GLY 37 N 5.30 0.99 3.84 4.36 0.00 -1.26 -4.96 105.19 113.47 1fi9 n GLY 37 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.02 1.88 0.30 1.61 6.06 -1.21 -5.10 118.95 122.50 1fi9 s ARG 38 Ca 0.00 -1.09 0.07 0.00 -2.50 0.00 0.00 55.73 52.21 1fi9 s ARG 38 Cb 0.00 0.60 -0.03 0.00 0.06 0.00 0.00 34.95 35.58 1fi9 s ARG 38 CO 0.00 -0.87 0.22 0.15 -2.50 0.00 0.00 175.30 172.30 1fi9 s LYS 39 N -3.43 2.75 0.00 5.12 1.02 -1.26 -3.56 119.74 120.38 1fi9 s LYS 39 Ca 0.12 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1fi9 s LYS 39 Cb -0.06 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1fi9 s LYS 39 CO 0.08 0.24 0.96 0.25 -0.92 0.00 0.00 175.35 175.96 1fi9 n THR 40 N -1.24 0.00 -0.44 2.17 -2.24 -0.96 -2.19 114.28 109.37 1fi9 n THR 40 Ca -0.05 1.45 -0.02 0.00 -2.27 0.00 0.00 64.05 63.16 1fi9 n THR 40 Cb 0.59 -1.95 -0.03 0.00 -2.10 0.00 0.00 70.33 66.84 1fi9 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fi9 n GLY 41 N -1.00 2.02 2.68 3.38 0.00 -1.26 -3.63 105.19 107.38 1fi9 n GLY 41 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 1.95 2.00 -1.69 1.61 1.13 -0.93 -4.96 117.38 116.49 1fi9 n GLN 42 Ca 0.09 -3.61 -0.36 0.00 -1.94 0.00 0.00 57.00 51.18 1fi9 n GLN 42 Cb 0.43 -1.69 0.07 0.00 0.11 0.00 0.00 30.24 29.16 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 -3.68 2.32 0.00 -1.58 0.00 -1.24 -4.84 121.76 112.74 1fi9 s ALA 43 Ca 0.31 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1fi9 s ALA 43 Cb 0.35 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1fi9 s ALA 43 CO -0.02 -1.60 0.23 -0.35 0.00 0.00 0.00 175.76 174.02 1fi9 n PRO 44 N -2.14 0.00 -3.09 0.00 -0.04 -1.26 -4.65 135.00 123.83 1fi9 n PRO 44 Ca 0.14 0.44 -0.20 0.00 -0.04 0.00 0.00 63.50 63.85 1fi9 n PRO 44 Cb 0.49 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.32 4.07 3.30 0.55 0.00 -1.26 -5.08 105.19 108.11 1fi9 n GLY 45 Ca 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.76 1.47 0.14 1.61 5.36 -1.26 -5.06 117.98 117.48 1fi9 s PHE 46 Ca 0.42 -1.12 0.04 0.00 -0.96 0.00 0.00 56.93 55.30 1fi9 s PHE 46 Cb 0.34 -0.86 -0.04 0.00 -0.34 0.00 0.00 43.02 42.12 1fi9 s PHE 46 CO -0.09 -0.28 0.17 0.95 -1.46 0.00 0.00 175.22 174.50 1fi9 s THR 47 N -3.70 4.76 0.44 0.12 -4.23 -1.26 -4.91 115.64 106.86 1fi9 s THR 47 Ca 0.34 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1fi9 s THR 47 Cb 0.07 -3.40 0.10 0.00 1.34 0.00 0.00 72.50 70.61 1fi9 s THR 47 CO 0.11 -0.04 0.60 -1.22 -0.54 0.00 0.00 174.62 173.54 1fi9 n TYR 48 N -0.19 -3.54 -2.60 3.99 4.01 -1.26 -5.05 117.16 112.53 1fi9 n TYR 48 Ca -0.08 -0.78 -0.01 0.00 -0.16 0.00 0.00 57.90 56.87 1fi9 n TYR 48 Cb 0.54 -0.45 0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1fi9 n TYR 48 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1fi9 n THR 49 N -2.53 0.44 -4.30 -0.72 -1.04 -1.26 -5.02 114.28 99.85 1fi9 n THR 49 Ca 0.09 -1.51 -0.34 0.00 -2.04 0.00 0.00 64.05 60.24 1fi9 n THR 49 Cb 0.31 1.03 -0.07 0.00 -1.82 0.00 0.00 70.33 69.78 1fi9 n THR 49 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1fi9 n ASP 50 N -0.64 -0.79 0.00 8.00 8.00 -1.26 -4.37 116.55 125.49 1fi9 n ASP 50 Ca -0.07 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1fi9 n ASP 50 Cb 0.87 -2.05 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 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 -4.37 0.00 -0.02 2.24 0.00 -1.26 -4.88 120.51 112.22 1fi9 n ALA 51 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1fi9 n ALA 51 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.24 -0.77 0.00 -0.73 -1.89 -1.86 115.58 110.09 1fi9 h ASN 52 Ca 0.00 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.26 1fi9 h ASN 52 Cb 0.00 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 1fi9 h ASN 52 CO 0.00 -0.09 0.51 0.50 -0.37 0.00 0.00 177.43 177.98 1fi9 h LYS 53 N -0.05 0.93 0.00 6.67 1.63 -1.92 0.19 116.57 124.02 1fi9 h LYS 53 Ca 0.09 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1fi9 h LYS 53 Cb 0.18 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1fi9 h LYS 53 CO -0.19 0.62 -0.01 -0.97 -3.45 0.00 0.00 179.45 175.44 1fi9 h ASN 54 N 0.96 0.00 0.59 4.20 -0.73 -1.70 -3.00 115.58 115.90 1fi9 h ASN 54 Ca 0.30 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.45 1fi9 h ASN 54 Cb 0.02 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.62 1fi9 h ASN 54 CO -0.09 0.01 -0.28 0.50 -0.37 0.00 0.00 177.43 177.21 1fi9 h LYS 55 N 0.00 -0.76 -5.83 6.67 3.64 -0.21 -3.48 116.57 116.60 1fi9 h LYS 55 Ca -0.00 0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.13 1fi9 h LYS 55 Cb 0.24 0.17 0.12 0.00 -0.41 0.00 0.00 32.23 32.35 1fi9 h LYS 55 CO 0.00 -0.46 -0.79 0.41 -2.27 0.00 0.00 179.45 176.34 1fi9 n GLY 56 N -0.52 -1.11 3.19 5.01 0.00 -1.13 -5.01 105.19 105.61 1fi9 n GLY 56 Ca -0.11 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.35 0.13 0.31 -0.61 -4.36 -1.26 -4.96 121.20 107.10 1fi9 s ILE 57 Ca 0.38 -1.04 -0.08 0.00 -0.26 0.00 0.00 60.65 59.66 1fi9 s ILE 57 Cb -0.10 -1.14 -0.06 0.00 1.25 0.00 0.00 42.46 42.42 1fi9 s ILE 57 CO 0.80 -0.58 0.62 0.42 0.24 0.00 0.00 174.94 176.44 1fi9 s THR 58 N -3.25 4.93 -0.43 8.37 -4.23 -1.26 -2.27 115.64 117.50 1fi9 s THR 58 Ca 0.00 0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1fi9 s THR 58 Cb 0.02 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.26 1fi9 s THR 58 CO -0.08 -0.32 0.26 0.26 -0.54 0.00 0.00 174.62 174.20 1fi9 s TRP 59 N -2.11 3.50 -0.27 3.99 0.52 -1.23 -4.50 118.94 118.84 1fi9 s TRP 59 Ca 0.47 -2.13 0.21 0.00 0.02 0.00 0.00 56.10 54.67 1fi9 s TRP 59 Cb -0.11 -3.30 0.50 0.00 -1.15 0.00 0.00 33.47 29.42 1fi9 s TRP 59 CO 0.28 -0.97 1.10 0.36 0.02 0.00 0.00 176.95 177.74 1fi9 n LYS 60 N 4.74 1.84 0.00 4.98 2.85 -1.26 -4.05 118.16 127.26 1fi9 n LYS 60 Ca -0.05 -3.55 0.00 0.00 -1.05 0.00 0.00 58.31 53.66 1fi9 n LYS 60 Cb 0.41 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 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 -0.56 0.00 0.00 -1.58 0.28 -1.26 -4.80 120.64 112.71 1fi9 n GLU 61 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1fi9 n GLU 61 Cb 0.81 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.63 1fi9 n GLU 61 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1fi9 n GLU 62 N 0.00 0.00 -0.31 3.44 2.13 -1.26 0.26 120.64 124.91 1fi9 n GLU 62 Ca 0.00 0.37 0.14 0.00 0.66 0.00 0.00 57.16 58.33 1fi9 n GLU 62 Cb 0.00 -1.36 0.32 0.00 0.27 0.00 0.00 31.44 30.67 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1fi9 h THR 63 N 0.00 0.42 0.05 6.31 2.02 -1.87 -1.84 112.91 118.00 1fi9 h THR 63 Ca 0.00 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1fi9 h THR 63 Cb 0.00 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1fi9 h THR 63 CO 0.00 0.06 -0.09 -0.07 0.37 0.00 0.00 175.52 175.79 1fi9 h LEU 64 N 0.35 -0.25 -0.92 2.58 3.38 -1.80 0.30 115.31 118.94 1fi9 h LEU 64 Ca 0.57 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.82 1fi9 h LEU 64 Cb 1.12 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 1fi9 h LEU 64 CO -0.56 -0.14 0.39 0.24 0.09 0.00 0.00 178.44 178.46 1fi9 h MET 65 N -0.19 0.33 0.00 1.13 2.86 0.68 0.11 114.93 119.86 1fi9 h MET 65 Ca 0.02 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1fi9 h MET 65 Cb 0.20 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1fi9 h MET 65 CO -0.06 0.22 -0.00 0.93 1.06 0.00 0.00 176.91 179.06 1fi9 h GLU 66 N 0.34 -0.00 -0.47 1.72 5.08 -1.23 -2.61 114.58 117.41 1fi9 h GLU 66 Ca 0.60 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 59.05 1fi9 h GLU 66 Cb 1.20 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1fi9 h GLU 66 CO -0.58 0.76 -0.31 -0.92 -1.00 0.00 0.00 179.01 176.97 1fi9 h TYR 67 N -0.99 -0.86 -0.47 4.33 3.20 0.28 0.21 116.97 122.68 1fi9 h TYR 67 Ca -0.00 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1fi9 h TYR 67 Cb 0.77 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1fi9 h TYR 67 CO 0.21 -0.37 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.09 1fi9 h LEU 68 N -0.21 0.96 -3.49 2.82 3.38 -0.97 -2.55 115.31 115.25 1fi9 h LEU 68 Ca 0.20 -0.35 -0.36 0.00 0.09 0.00 0.00 57.88 57.46 1fi9 h LEU 68 Cb 0.53 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 40.86 1fi9 h LEU 68 CO -0.58 1.12 0.47 1.21 0.09 0.00 0.00 178.44 180.75 1fi9 n GLU 69 N -4.12 1.89 0.00 1.13 0.00 0.16 -4.30 120.64 115.41 1fi9 n GLU 69 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 57.16 55.38 1fi9 n GLU 69 Cb 0.44 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.18 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 0.10 0.00 0.00 4.31 3.02 0.51 -4.84 115.26 118.37 1fi9 n ASN 70 Ca 0.34 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.97 1fi9 n ASN 70 Cb 0.66 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 40.24 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 0.00 0.27 -3.20 3.52 -0.04 -0.97 -3.52 135.00 131.05 1fi9 n PRO 71 Ca 0.00 0.12 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 1fi9 n PRO 71 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1fi9 n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fi9 n LYS 72 N -1.24 2.74 0.16 0.54 4.01 -1.26 -4.74 118.16 118.36 1fi9 n LYS 72 Ca 0.08 -4.68 0.00 0.00 -0.51 0.00 0.00 58.31 53.21 1fi9 n LYS 72 Cb 0.12 -2.20 0.00 0.00 -0.51 0.00 0.00 35.03 32.43 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1fi9 n LYS 73 N 0.38 0.00 -2.03 1.97 4.76 -1.23 -4.96 118.16 117.04 1fi9 n LYS 73 Ca 0.30 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.47 1fi9 n LYS 73 Cb 0.41 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.54 1fi9 n LYS 73 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1fi9 s TYR 74 N -2.00 1.89 -0.22 2.13 2.02 -1.26 -4.31 117.35 115.61 1fi9 s TYR 74 Ca 0.00 0.61 -0.04 0.00 -0.37 0.00 0.00 57.07 57.27 1fi9 s TYR 74 Cb 0.00 -3.96 0.00 0.00 -0.40 0.00 0.00 41.96 37.61 1fi9 s TYR 74 CO 0.00 -1.22 0.14 -0.89 -1.57 0.00 0.00 175.55 172.01 1fi9 n ILE 75 N 7.90 -8.01 -1.72 2.71 -0.00 -1.26 -4.82 119.36 114.15 1fi9 n ILE 75 Ca 0.44 0.93 -0.36 0.00 -0.00 0.00 0.00 62.75 63.76 1fi9 n ILE 75 Cb 0.47 -5.90 -0.05 0.00 -0.00 0.00 0.00 39.64 34.15 1fi9 n ILE 75 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1fi9 n PRO 76 N 0.14 1.74 -2.66 0.38 -0.04 -1.26 -4.09 135.00 129.20 1fi9 n PRO 76 Ca 0.03 -2.29 -0.04 0.00 -0.04 0.00 0.00 63.50 61.16 1fi9 n PRO 76 Cb 0.10 -3.37 0.10 0.00 -0.04 0.00 0.00 33.50 30.30 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 5.18 -1.61 0.32 0.55 0.00 -1.26 -5.09 105.19 103.29 1fi9 n GLY 77 Ca 0.47 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.42 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 0.88 0.00 -2.72 2.61 -1.04 -1.26 -4.83 114.28 107.92 1fi9 n THR 78 Ca -0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 1fi9 n THR 78 Cb 0.74 -0.33 0.02 0.00 -1.82 0.00 0.00 70.33 68.94 1fi9 n THR 78 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1fi9 s LYS 79 N -0.22 0.28 0.19 -2.82 -2.85 -1.26 -5.14 119.74 107.91 1fi9 s LYS 79 Ca 0.00 -0.22 -0.31 0.00 -1.00 0.00 0.00 55.97 54.44 1fi9 s LYS 79 Cb 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 37.83 35.67 1fi9 s LYS 79 CO 0.00 -0.36 1.49 -1.64 0.10 0.00 0.00 175.35 174.94 1fi9 s MET 80 N 1.30 4.25 0.00 1.78 -1.94 -1.26 -5.00 119.30 118.43 1fi9 s MET 80 Ca 0.21 2.29 0.00 0.00 -1.71 0.00 0.00 55.69 56.48 1fi9 s MET 80 Cb 0.09 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.77 1fi9 s MET 80 CO -0.11 -0.51 0.00 0.44 -0.01 0.00 0.00 175.02 174.83 1fi9 n ILE 81 N 3.36 0.00 -0.88 2.53 -5.35 -1.26 -5.14 119.36 112.62 1fi9 n ILE 81 Ca 0.11 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.23 1fi9 n ILE 81 Cb 0.40 -0.04 0.08 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.01 -1.84 -0.26 4.28 -1.74 -1.26 -4.86 117.46 111.77 1fi9 n PHE 82 Ca 0.00 0.39 -0.07 0.00 -0.56 0.00 0.00 57.45 57.21 1fi9 n PHE 82 Cb 0.00 -1.47 -0.06 0.00 1.52 0.00 0.00 39.48 39.47 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 -3.68 -0.40 0.00 1.98 0.00 -1.26 -4.94 120.51 112.22 1fi9 n ALA 83 Ca -0.01 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1fi9 n ALA 83 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.15 -0.70 0.00 0.00 0.00 -1.26 -4.79 105.19 97.29 1fi9 n GLY 84 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.19 -0.61 2.08 -1.26 -4.99 119.36 123.76 1fi9 n ILE 85 Ca 0.00 0.54 0.00 0.00 0.56 0.00 0.00 62.75 63.85 1fi9 n ILE 85 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 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 -0.05 0.00 0.00 0.38 5.02 -1.26 -5.06 118.16 117.20 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 -3.43 0.00 -0.05 1.97 0.00 -1.26 -5.06 118.16 110.33 1fi9 n LYS 87 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1fi9 n LYS 87 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 1fi9 n LYS 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1fi9 n LYS 88 N 0.00 0.25 0.41 -1.58 2.85 -1.26 -4.59 118.16 114.25 1fi9 n LYS 88 Ca 0.00 0.06 -0.16 0.00 -1.05 0.00 0.00 58.31 57.16 1fi9 n LYS 88 Cb 0.00 -1.18 -0.08 0.00 -0.65 0.00 0.00 35.03 33.12 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 -0.86 0.58 2.02 -1.99 0.14 112.91 112.77 1fi9 h THR 89 Ca -0.23 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1fi9 h THR 89 Cb 1.35 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1fi9 h THR 89 CO -0.04 0.00 0.53 -0.08 0.37 0.00 0.00 175.52 176.30 1fi9 h GLU 90 N -1.09 1.16 -0.40 6.66 4.81 -1.98 -0.55 114.58 123.19 1fi9 h GLU 90 Ca -0.11 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1fi9 h GLU 90 Cb 0.81 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1fi9 h GLU 90 CO 0.18 0.80 0.02 0.00 -0.73 0.00 0.00 179.01 179.28 1fi9 h ARG 91 N 1.18 0.13 0.08 1.92 3.08 -1.78 -0.06 114.38 118.93 1fi9 h ARG 91 Ca 0.31 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.36 1fi9 h ARG 91 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1fi9 h ARG 91 CO -0.06 0.08 -0.13 0.93 -1.07 0.00 0.00 179.97 179.72 1fi9 h GLU 92 N 0.13 -0.26 -0.63 0.04 4.39 0.65 -0.83 114.58 118.07 1fi9 h GLU 92 Ca 0.20 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.04 1fi9 h GLU 92 Cb 0.27 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 1fi9 h GLU 92 CO -0.31 -0.17 0.08 -0.44 -1.16 0.00 0.00 179.01 177.01 1fi9 h ASP 93 N -0.27 -0.12 -0.19 1.42 5.19 -0.86 0.52 116.42 122.11 1fi9 h ASP 93 Ca 0.02 0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1fi9 h ASP 93 Cb 0.28 0.21 -0.07 0.00 0.18 0.00 0.00 39.33 39.94 1fi9 h ASP 93 CO -0.08 -0.06 -0.54 0.25 -3.12 0.00 0.00 179.24 175.70 1fi9 h LEU 94 N 0.19 -1.73 -0.92 1.55 6.46 -0.03 -0.57 115.31 120.26 1fi9 h LEU 94 Ca 0.33 0.21 0.18 0.00 -0.12 0.00 0.00 57.88 58.49 1fi9 h LEU 94 Cb 0.53 0.68 -0.11 0.00 -0.73 0.00 0.00 40.66 41.04 1fi9 h LEU 94 CO -0.48 -0.46 0.50 0.40 -0.62 0.00 0.00 178.44 177.79 1fi9 h ILE 95 N -0.53 0.66 -0.21 4.05 5.03 -0.12 0.10 117.51 126.49 1fi9 h ILE 95 Ca 0.04 -0.22 0.06 0.00 -0.12 0.00 0.00 64.86 64.62 1fi9 h ILE 95 Cb 0.65 -0.02 -0.07 0.00 -3.03 0.00 0.00 36.82 34.35 1fi9 h ILE 95 CO -0.46 0.12 -0.31 0.00 -0.68 0.00 0.00 178.15 176.81 1fi9 h ALA 96 N 1.63 -0.30 0.92 1.87 0.00 0.64 0.29 119.26 124.30 1fi9 h ALA 96 Ca 0.53 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 1fi9 h ALA 96 Cb 0.85 0.62 0.01 0.00 0.00 0.00 0.00 17.79 19.27 1fi9 h ALA 96 CO -0.41 -0.77 -0.44 -0.92 0.00 0.00 0.00 179.25 176.72 1fi9 h TYR 97 N -0.35 -1.14 -0.97 0.00 3.20 -0.71 -3.21 116.97 113.79 1fi9 h TYR 97 Ca 0.12 -0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.15 1fi9 h TYR 97 Cb 0.53 0.38 -0.18 0.00 1.54 0.00 0.00 36.73 39.00 1fi9 h TYR 97 CO -0.44 -0.71 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.05 1fi9 h LEU 98 N -1.28 -0.94 -0.84 2.82 4.07 -0.65 0.23 115.31 118.71 1fi9 h LEU 98 Ca -0.13 0.29 0.09 0.00 0.08 0.00 0.00 57.88 58.22 1fi9 h LEU 98 Cb 0.94 0.61 -0.12 0.00 1.08 0.00 0.00 40.66 43.18 1fi9 h LEU 98 CO 0.21 -0.32 -0.53 0.11 -1.08 0.00 0.00 178.44 176.82 1fi9 h LYS 99 N -0.00 -0.10 0.04 1.13 1.57 -0.44 0.32 116.57 119.09 1fi9 h LYS 99 Ca 0.46 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1fi9 h LYS 99 Cb 0.70 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1fi9 h LYS 99 CO -1.00 -0.07 -0.02 -0.22 -0.57 0.00 0.00 179.45 177.58 1fi9 h LYS 100 N -0.10 -0.06 -0.07 3.15 1.63 -1.02 -2.93 116.57 117.17 1fi9 h LYS 100 Ca 0.18 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 1fi9 h LYS 100 Cb 0.49 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.08 1fi9 h LYS 100 CO -0.85 0.49 -0.27 0.00 -3.45 0.00 0.00 179.45 175.37 1fi9 h ALA 101 N 0.24 -0.32 -0.74 5.00 0.00 0.13 0.15 119.26 123.72 1fi9 h ALA 101 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1fi9 h ALA 101 Cb 0.58 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1fi9 h ALA 101 CO 0.01 -0.76 0.32 1.79 0.00 0.00 0.00 179.25 180.61 1fi9 h THR 102 N -0.38 1.25 0.09 0.00 1.35 -0.55 -2.67 112.91 112.00 1fi9 h THR 102 Ca 0.08 -0.74 0.02 0.00 -0.55 0.00 0.00 66.41 65.22 1fi9 h THR 102 Cb 0.50 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.24 1fi9 h THR 102 CO -0.28 0.30 -0.35 -1.13 -0.25 0.00 0.00 175.52 173.81 1fi9 h ASN 103 N 1.05 -1.04 0.00 5.36 -0.73 -0.94 0.47 115.58 119.75 1fi9 h ASN 103 Ca 0.25 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.54 1fi9 h ASN 103 Cb 0.18 0.40 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1fi9 h ASN 103 CO -0.02 -0.43 0.00 -0.62 -0.37 0.00 0.00 177.43 175.99