#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 7.06 0.17 1.61 -1.08 -1.26 -4.66 116.67 118.51 1fi9 s ASP 2 Ca 0.00 1.86 -0.12 0.00 -0.52 0.00 0.00 52.55 53.76 1fi9 s ASP 2 Cb 0.00 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 38.96 1fi9 s ASP 2 CO 0.00 -0.55 1.72 0.58 0.52 0.00 0.00 175.17 177.44 1fi9 h VAL 3 N 4.90 1.22 0.06 1.11 2.07 -1.85 0.13 116.25 123.90 1fi9 h VAL 3 Ca -0.36 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1fi9 h VAL 3 Cb 1.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1fi9 h VAL 3 CO 0.86 0.27 -0.03 -0.33 0.02 0.00 0.00 177.57 178.36 1fi9 h GLU 4 N 0.78 -0.08 -0.44 1.57 4.39 -1.93 0.19 114.58 119.06 1fi9 h GLU 4 Ca 0.19 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.95 1fi9 h GLU 4 Cb 0.20 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1fi9 h GLU 4 CO -0.02 0.33 0.16 0.87 -1.16 0.00 0.00 179.01 179.20 1fi9 h LYS 5 N -0.53 0.32 -0.79 2.33 1.57 -1.92 -1.83 116.57 115.72 1fi9 h LYS 5 Ca -0.01 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.94 1fi9 h LYS 5 Cb 0.46 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.57 1fi9 h LYS 5 CO 0.01 0.21 0.20 0.78 -0.57 0.00 0.00 179.45 180.09 1fi9 h GLY 6 N 0.33 1.15 0.99 3.86 0.00 -0.44 0.26 103.07 109.21 1fi9 h GLY 6 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1fi9 h GLY 6 CO -0.21 -0.25 -0.32 1.70 0.00 0.00 0.00 176.54 177.47 1fi9 h LYS 7 N 0.26 -0.84 -0.56 4.80 3.64 0.01 0.37 116.57 124.25 1fi9 h LYS 7 Ca 0.46 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.94 1fi9 h LYS 7 Cb 0.84 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1fi9 h LYS 7 CO -0.56 -0.56 0.30 0.87 -2.27 0.00 0.00 179.45 177.24 1fi9 h LYS 8 N -0.87 0.57 0.47 1.90 6.56 -0.45 -0.35 116.57 124.39 1fi9 h LYS 8 Ca -0.09 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 1fi9 h LYS 8 Cb 0.67 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 1fi9 h LYS 8 CO 0.13 0.38 -0.36 0.82 -2.06 0.00 0.00 179.45 178.36 1fi9 h ILE 9 N 0.58 0.26 -0.61 1.86 2.04 -0.37 0.14 117.51 121.41 1fi9 h ILE 9 Ca 0.24 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.23 1fi9 h ILE 9 Cb 0.13 0.26 -0.12 0.00 -0.74 0.00 0.00 36.82 36.35 1fi9 h ILE 9 CO -0.15 0.00 -0.15 0.15 0.00 0.00 0.00 178.15 178.00 1fi9 h PHE 10 N -0.82 -0.32 0.00 1.37 3.57 -0.50 0.50 116.94 120.74 1fi9 h PHE 10 Ca -0.05 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1fi9 h PHE 10 Cb 0.70 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1fi9 h PHE 10 CO -0.16 -0.26 -0.04 0.28 -2.23 0.00 0.00 178.31 175.90 1fi9 h VAL 11 N 0.00 0.45 -0.01 1.41 2.07 -0.50 0.18 116.25 119.85 1fi9 h VAL 11 Ca 0.29 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1fi9 h VAL 11 Cb 0.45 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1fi9 h VAL 11 CO -0.63 0.04 -0.12 0.00 0.02 0.00 0.00 177.57 176.88 1fi9 n GLN 12 N -3.64 1.33 0.00 1.57 1.13 0.62 -4.48 117.38 113.91 1fi9 n GLN 12 Ca -0.02 -1.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.02 1fi9 n GLN 12 Cb 0.14 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.28 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 0.31 0.00 -0.00 -1.09 4.01 0.14 -4.96 118.16 116.57 1fi9 n LYS 13 Ca 0.07 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1fi9 n LYS 13 Cb 0.30 -0.54 -0.01 0.00 -0.51 0.00 0.00 35.03 34.27 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 -1.90 -0.04 -0.68 0.00 0.00 -0.25 -0.62 120.51 117.01 1fi9 n ALA 15 Ca -0.02 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1fi9 n ALA 15 Cb 0.40 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.71 1.36 0.00 0.00 1.13 -1.26 -3.11 117.38 112.79 1fi9 n GLN 16 Ca 0.00 -0.46 0.00 0.00 -1.94 0.00 0.00 57.00 54.60 1fi9 n GLN 16 Cb 0.02 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.85 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 -1.89 2.80 0.00 0.00 3.76 0.20 -2.29 115.29 117.87 1fi9 s HIS 18 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1fi9 s HIS 18 Cb 0.00 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.30 1fi9 s HIS 18 CO 0.00 0.49 0.00 2.41 -0.85 0.00 0.00 174.74 176.79 1fi9 n THR 19 N 0.17 0.00 -3.57 1.30 -1.04 -1.26 -4.05 114.28 105.83 1fi9 n THR 19 Ca -0.11 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.64 1fi9 n THR 19 Cb 0.54 -0.53 0.04 0.00 -1.82 0.00 0.00 70.33 68.57 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 -2.51 -2.27 -4.37 12.58 0.24 -1.26 -4.89 118.33 115.85 1fi9 n VAL 20 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1fi9 n VAL 20 Cb 0.50 -3.30 -0.09 0.00 -1.47 0.00 0.00 33.84 29.48 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 -6.27 1.73 0.01 7.34 4.04 -1.26 -4.33 118.70 119.95 1fi9 s GLU 21 Ca 0.54 -2.01 -0.21 0.00 0.04 0.00 0.00 54.97 53.34 1fi9 s GLU 21 Cb -0.26 -0.15 -0.11 0.00 0.02 0.00 0.00 34.13 33.63 1fi9 s GLU 21 CO 0.67 -0.50 1.01 0.87 -1.84 0.00 0.00 175.26 175.47 1fi9 h LYS 22 N 2.08 -0.71 -0.96 -4.83 1.57 -1.95 -3.22 116.57 108.54 1fi9 h LYS 22 Ca -0.32 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1fi9 h LYS 22 Cb 1.25 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1fi9 h LYS 22 CO 0.50 -0.48 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1fi9 n GLY 23 N -0.54 1.51 0.05 3.86 0.00 -1.26 -4.50 105.19 104.31 1fi9 n GLY 23 Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 0.18 -1.04 0.79 -0.02 0.00 -1.22 -5.00 105.19 98.88 1fi9 n GLY 24 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.04 -1.79 -0.07 1.61 5.02 -1.26 -4.71 118.16 115.93 1fi9 n LYS 25 Ca 0.18 1.41 -0.21 0.00 -2.02 0.00 0.00 58.31 57.68 1fi9 n LYS 25 Cb 0.21 -2.10 -0.12 0.00 -0.02 0.00 0.00 35.03 32.99 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fi9 h HIS 26 N -0.77 0.13 0.00 2.13 3.86 -1.90 -3.04 115.15 115.56 1fi9 h HIS 26 Ca -0.09 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1fi9 h HIS 26 Cb 0.75 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1fi9 h HIS 26 CO 0.02 1.46 0.00 0.36 0.86 0.00 0.00 177.93 180.63 1fi9 n LYS 27 N -4.28 0.00 -0.02 2.45 2.85 -1.26 -3.30 118.16 114.60 1fi9 n LYS 27 Ca -0.27 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1fi9 n LYS 27 Cb 0.73 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.11 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 28 N 0.00 0.00 -3.18 0.58 2.02 -1.94 -3.45 112.91 106.94 1fi9 h THR 28 Ca 0.00 -0.33 -0.55 0.00 0.77 0.00 0.00 66.41 66.30 1fi9 h THR 28 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 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 -2.55 2.31 0.56 2.16 0.00 -0.97 -5.01 107.32 103.82 1fi9 s GLY 29 Ca -0.00 0.58 -0.21 0.00 0.00 0.00 0.00 44.72 45.09 1fi9 s GLY 29 CO 0.00 2.05 1.29 2.56 0.00 0.00 0.00 173.10 179.00 1fi9 s PRO 30 N 1.84 3.10 -0.52 2.90 0.04 -1.21 -4.39 135.00 136.76 1fi9 s PRO 30 Ca 0.54 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 1fi9 s PRO 30 Cb -0.23 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1fi9 s PRO 30 CO 0.23 -1.17 2.30 0.54 0.04 0.00 0.00 177.00 178.94 1fi9 s ASN 31 N -1.21 4.59 0.00 6.66 4.22 -1.15 -4.39 114.94 123.66 1fi9 s ASN 31 Ca 0.73 0.90 -0.04 0.00 -2.14 0.00 0.00 52.86 52.32 1fi9 s ASN 31 Cb -0.36 -2.51 -0.16 0.00 1.28 0.00 0.00 41.25 39.50 1fi9 s ASN 31 CO 0.42 -2.81 2.70 0.18 -2.04 0.00 0.00 177.10 175.54 1fi9 n LEU 32 N 15.36 4.44 -4.70 3.54 4.77 -1.26 -4.64 117.00 134.51 1fi9 n LEU 32 Ca 0.34 -2.54 -0.42 0.00 -0.03 0.00 0.00 56.01 53.36 1fi9 n LEU 32 Cb 0.54 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1fi9 n LEU 32 CO 0.71 1.20 1.28 -2.28 -1.33 0.00 0.00 177.39 176.97 1fi9 s HIS 33 N 1.01 2.65 -1.20 -1.77 2.46 -1.26 -2.52 115.29 114.66 1fi9 s HIS 33 Ca 0.39 0.45 -0.04 0.00 0.47 0.00 0.00 55.06 56.34 1fi9 s HIS 33 Cb 0.19 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 1fi9 s HIS 33 CO 0.00 -3.63 0.48 0.41 -2.47 0.00 0.00 174.74 169.53 1fi9 n GLY 34 N 3.89 -0.24 0.44 1.59 0.00 0.42 -4.95 105.19 106.34 1fi9 n GLY 34 Ca 0.15 -0.08 -0.15 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 -1.10 -1.35 -9.49 0.99 5.85 -1.72 -3.40 115.31 105.08 1fi9 h LEU 35 Ca -0.41 0.13 -0.53 0.00 0.84 0.00 0.00 57.88 57.90 1fi9 h LEU 35 Cb 1.28 0.48 0.01 0.00 0.37 0.00 0.00 40.66 42.81 1fi9 h LEU 35 CO 0.44 -0.54 0.75 -0.36 -0.34 0.00 0.00 178.44 178.39 1fi9 s PHE 36 N -5.48 3.13 0.00 1.25 0.08 -1.26 -2.66 117.98 113.04 1fi9 s PHE 36 Ca -0.15 0.93 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1fi9 s PHE 36 Cb 0.05 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 1fi9 s PHE 36 CO 0.54 -2.34 0.00 0.41 -0.10 0.00 0.00 175.22 173.72 1fi9 n GLY 37 N 3.52 1.01 3.11 4.36 0.00 -1.04 -4.99 105.19 111.16 1fi9 n GLY 37 Ca 0.12 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.86 0.50 0.89 1.61 3.52 -1.09 -5.04 118.95 116.48 1fi9 s ARG 38 Ca 0.00 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 55.01 1fi9 s ARG 38 Cb 0.00 0.21 0.12 0.00 -1.56 0.00 0.00 34.95 33.72 1fi9 s ARG 38 CO 0.00 -0.12 1.09 0.15 -0.81 0.00 0.00 175.30 175.61 1fi9 s LYS 39 N -1.64 1.33 1.06 5.12 -0.14 -1.26 -2.05 119.74 122.16 1fi9 s LYS 39 Ca -0.13 0.78 -0.18 0.00 -1.36 0.00 0.00 55.97 55.08 1fi9 s LYS 39 Cb -0.06 -1.82 0.26 0.00 -1.68 0.00 0.00 37.83 34.52 1fi9 s LYS 39 CO 0.00 -2.18 1.05 0.25 -0.76 0.00 0.00 175.35 173.71 1fi9 n THR 40 N -3.84 0.00 -3.93 2.17 -2.24 -0.31 -4.17 114.28 101.97 1fi9 n THR 40 Ca 0.07 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1fi9 n THR 40 Cb 0.55 -1.31 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.81 -0.41 3.00 3.38 0.00 -1.11 -4.77 105.19 101.47 1fi9 n GLY 41 Ca 0.14 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -6.57 0.16 -0.07 1.61 -1.52 -1.26 -4.80 119.66 107.21 1fi9 s GLN 42 Ca 0.23 0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 53.83 1fi9 s GLN 42 Cb -0.13 -0.14 0.11 0.00 -0.22 0.00 0.00 33.01 32.63 1fi9 s GLN 42 CO 0.71 -0.18 0.94 0.00 -0.25 0.00 0.00 175.29 176.51 1fi9 s ALA 43 N 1.34 -1.88 0.00 6.09 0.00 -1.26 -5.03 121.76 121.03 1fi9 s ALA 43 Ca -0.08 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1fi9 s ALA 43 Cb -0.11 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1fi9 s ALA 43 CO -0.08 -0.57 0.00 -0.35 0.00 0.00 0.00 175.76 174.77 1fi9 n PRO 44 N 0.07 0.00 -1.69 0.00 -0.04 -1.26 -4.47 135.00 127.61 1fi9 n PRO 44 Ca -0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1fi9 n PRO 44 Cb 0.60 -0.08 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 2.43 4.47 3.29 0.55 0.00 -1.26 -4.79 105.19 109.89 1fi9 n GLY 45 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 2.15 -0.50 -0.37 1.61 2.19 -1.26 -4.89 117.98 116.90 1fi9 s PHE 46 Ca 0.54 1.16 -0.00 0.00 0.33 0.00 0.00 56.93 58.96 1fi9 s PHE 46 Cb 0.15 0.19 0.30 0.00 -1.31 0.00 0.00 43.02 42.36 1fi9 s PHE 46 CO -0.07 -0.26 1.91 2.41 1.83 0.00 0.00 175.22 181.04 1fi9 n THR 47 N 3.32 2.83 -1.18 0.12 -1.04 -1.26 -4.79 114.28 112.27 1fi9 n THR 47 Ca -0.17 -1.77 0.00 0.00 -2.04 0.00 0.00 64.05 60.08 1fi9 n THR 47 Cb 0.56 -1.15 -0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1fi9 n THR 47 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1fi9 n TYR 48 N -0.09 -3.24 0.00 -1.42 4.01 -1.26 -4.95 117.16 110.21 1fi9 n TYR 48 Ca 0.38 1.75 0.00 0.00 -0.16 0.00 0.00 57.90 59.87 1fi9 n TYR 48 Cb 0.75 -2.85 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 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 -2.38 0.00 0.00 -0.72 -1.04 -1.26 -5.08 114.28 103.80 1fi9 n THR 49 Ca -0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1fi9 n THR 49 Cb 0.37 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1fi9 n THR 49 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1fi9 n ASP 50 N -0.70 0.00 -0.34 8.00 5.68 -1.26 -4.92 116.55 123.01 1fi9 n ASP 50 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 54.79 54.49 1fi9 n ASP 50 Cb 0.00 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.39 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fi9 h ALA 51 N 0.00 1.84 -0.69 2.12 0.00 -1.96 -0.25 119.26 120.32 1fi9 h ALA 51 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1fi9 h ALA 51 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1fi9 h ALA 51 CO 0.00 -0.37 0.30 -0.97 0.00 0.00 0.00 179.25 178.21 1fi9 h ASN 52 N 0.49 0.93 -0.37 0.00 -1.24 -1.91 0.57 115.58 114.05 1fi9 h ASN 52 Ca 0.67 -0.15 -0.13 0.00 0.71 0.00 0.00 56.30 57.40 1fi9 h ASN 52 Cb 1.37 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 1fi9 h ASN 52 CO -0.52 0.82 -0.26 0.50 -1.29 0.00 0.00 177.43 176.68 1fi9 h LYS 53 N 0.97 0.88 -0.66 6.67 3.11 -1.48 -2.71 116.57 123.36 1fi9 h LYS 53 Ca 0.23 -0.39 0.16 0.00 -2.81 0.00 0.00 60.65 57.84 1fi9 h LYS 53 Cb 0.16 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 1fi9 h LYS 53 CO -0.02 1.04 0.46 -0.97 -2.81 0.00 0.00 179.45 177.14 1fi9 h ASN 54 N 0.75 0.18 0.48 4.20 -0.73 -0.04 -3.03 115.58 117.38 1fi9 h ASN 54 Ca 0.09 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 1fi9 h ASN 54 Cb 0.81 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1fi9 h ASN 54 CO 0.07 0.09 -0.23 0.50 -0.37 0.00 0.00 177.43 177.49 1fi9 h LYS 55 N 0.19 -0.62 -0.79 6.67 3.64 -0.62 -3.47 116.57 121.57 1fi9 h LYS 55 Ca 0.32 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.57 1fi9 h LYS 55 Cb 0.99 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1fi9 h LYS 55 CO -0.06 -0.32 -0.18 0.41 -2.27 0.00 0.00 179.45 177.03 1fi9 n GLY 56 N -0.65 0.53 2.12 5.01 0.00 -1.15 -5.03 105.19 106.02 1fi9 n GLY 56 Ca -0.11 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1fi9 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fi9 n ILE 57 N -3.38 0.00 -5.21 -0.61 -6.64 -1.26 -4.79 119.36 97.47 1fi9 n ILE 57 Ca -0.09 -0.91 -0.31 0.00 -1.77 0.00 0.00 62.75 59.67 1fi9 n ILE 57 Cb 0.42 -1.02 -0.15 0.00 -1.44 0.00 0.00 39.64 37.45 1fi9 n ILE 57 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1fi9 s THR 58 N -1.42 2.27 0.09 7.28 2.01 -1.26 -1.16 115.64 123.45 1fi9 s THR 58 Ca 0.35 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1fi9 s THR 58 Cb -0.02 -1.82 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 1fi9 s THR 58 CO 0.23 0.58 0.73 0.26 -0.69 0.00 0.00 174.62 175.73 1fi9 s TRP 59 N -0.53 3.81 0.21 4.92 0.52 -0.87 -4.79 118.94 122.21 1fi9 s TRP 59 Ca 0.07 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.68 1fi9 s TRP 59 Cb -0.11 -2.74 0.00 0.00 -1.15 0.00 0.00 33.47 29.47 1fi9 s TRP 59 CO 0.00 0.41 0.00 0.36 0.02 0.00 0.00 176.95 177.75 1fi9 n LYS 60 N 2.20 0.00 0.00 4.98 2.85 -1.26 -2.49 118.16 124.44 1fi9 n LYS 60 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1fi9 n LYS 60 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 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 -2.97 0.00 -0.27 -1.58 0.28 -1.26 -4.96 120.64 109.88 1fi9 n GLU 61 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 1fi9 n GLU 61 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1fi9 h GLU 62 N 0.00 -0.18 -0.52 3.44 5.08 -1.98 0.16 114.58 120.57 1fi9 h GLU 62 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1fi9 h GLU 62 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1fi9 h GLU 62 CO 0.00 -0.12 0.34 1.79 -1.00 0.00 0.00 179.01 180.02 1fi9 h THR 63 N -0.19 1.11 -0.21 1.13 1.35 -1.94 -1.29 112.91 112.87 1fi9 h THR 63 Ca 0.15 -0.23 0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1fi9 h THR 63 Cb 0.53 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.27 1fi9 h THR 63 CO -0.77 0.12 -0.04 -0.07 -0.25 0.00 0.00 175.52 174.51 1fi9 h LEU 64 N 0.68 -0.17 -1.53 3.87 4.07 -1.77 0.82 115.31 121.28 1fi9 h LEU 64 Ca 0.20 0.06 0.20 0.00 0.08 0.00 0.00 57.88 58.42 1fi9 h LEU 64 Cb -0.05 0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 1fi9 h LEU 64 CO -0.06 -0.06 0.59 0.24 -1.08 0.00 0.00 178.44 178.08 1fi9 h MET 65 N 0.01 0.38 0.10 1.13 2.86 0.46 0.12 114.93 120.00 1fi9 h MET 65 Ca 0.10 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1fi9 h MET 65 Cb 0.15 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1fi9 h MET 65 CO -0.21 0.25 -0.05 0.93 1.06 0.00 0.00 176.91 178.90 1fi9 h GLU 66 N 0.39 -0.13 -0.96 1.72 4.39 -1.12 -3.32 114.58 115.56 1fi9 h GLU 66 Ca 0.46 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.46 1fi9 h GLU 66 Cb 1.17 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 29.67 1fi9 h GLU 66 CO -0.17 -0.08 0.18 -0.92 -1.16 0.00 0.00 179.01 176.85 1fi9 h TYR 67 N -0.65 0.22 -0.30 4.33 3.20 0.09 0.71 116.97 124.57 1fi9 h TYR 67 Ca -0.01 0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 1fi9 h TYR 67 Cb 0.10 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1fi9 h TYR 67 CO 0.01 -0.39 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.69 1fi9 h LEU 68 N 0.06 0.77 -1.55 2.82 3.38 -0.99 -0.67 115.31 119.13 1fi9 h LEU 68 Ca 0.63 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1fi9 h LEU 68 Cb 1.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1fi9 h LEU 68 CO -0.83 1.07 0.00 -0.62 0.09 0.00 0.00 178.44 178.15 1fi9 n GLU 69 N -4.04 2.05 -2.69 1.13 -0.58 0.99 -4.41 120.64 113.09 1fi9 n GLU 69 Ca -0.02 -1.54 -0.07 0.00 -0.42 0.00 0.00 57.16 55.11 1fi9 n GLU 69 Cb 0.53 -1.47 0.11 0.00 -0.57 0.00 0.00 31.44 30.04 1fi9 n GLU 69 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1fi9 n ASN 70 N 0.84 -1.45 -0.10 1.62 2.85 0.21 -4.73 115.26 114.51 1fi9 n ASN 70 Ca 0.17 -2.46 -0.11 0.00 -0.11 0.00 0.00 54.58 52.06 1fi9 n ASN 70 Cb 0.48 0.80 -0.04 0.00 1.24 0.00 0.00 39.78 42.26 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1fi9 h PRO 71 N 2.03 0.55 -2.45 1.20 0.13 -1.32 -2.89 132.00 129.25 1fi9 h PRO 71 Ca -0.27 -0.21 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 1fi9 h PRO 71 Cb 1.29 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1fi9 h PRO 71 CO -0.01 0.74 1.20 0.36 -0.23 0.00 0.00 178.00 180.06 1fi9 n LYS 72 N -4.51 2.47 0.12 0.86 0.00 -1.26 -3.32 118.16 112.53 1fi9 n LYS 72 Ca -0.03 -1.37 0.00 0.00 -0.00 0.00 0.00 58.31 56.91 1fi9 n LYS 72 Cb 0.31 -2.26 0.00 0.00 -0.00 0.00 0.00 35.03 33.07 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 2.97 0.00 -1.67 -1.58 3.00 -1.10 -4.92 118.16 114.86 1fi9 n LYS 73 Ca 0.53 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.43 1fi9 n LYS 73 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.61 1fi9 n LYS 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1fi9 n TYR 74 N -3.07 2.94 -1.94 5.64 4.02 -1.15 -4.39 117.16 119.20 1fi9 n TYR 74 Ca 0.00 -2.29 -0.00 0.00 -0.01 0.00 0.00 57.90 55.60 1fi9 n TYR 74 Cb 0.00 -2.25 -0.00 0.00 -0.02 0.00 0.00 39.34 37.07 1fi9 n TYR 74 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1fi9 n ILE 75 N 6.02 -5.78 -1.74 -0.72 -0.00 -1.26 -4.88 119.36 111.00 1fi9 n ILE 75 Ca 0.50 0.71 -0.38 0.00 -0.00 0.00 0.00 62.75 63.58 1fi9 n ILE 75 Cb 0.42 -5.03 -0.04 0.00 -0.00 0.00 0.00 39.64 34.98 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 0.29 1.98 -2.68 0.38 -0.04 -1.26 -4.30 135.00 129.38 1fi9 n PRO 76 Ca -0.02 -2.37 -0.08 0.00 -0.04 0.00 0.00 63.50 61.00 1fi9 n PRO 76 Cb 0.02 -3.32 0.07 0.00 -0.04 0.00 0.00 33.50 30.24 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 5.00 1.45 1.08 0.55 0.00 -1.26 -4.98 105.19 107.03 1fi9 n GLY 77 Ca 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.35 1.14 0.00 2.61 -1.04 -1.26 -4.25 114.28 111.13 1fi9 n THR 78 Ca 0.03 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1fi9 n THR 78 Cb 0.83 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 -3.48 0.00 -2.85 -2.82 2.85 -1.26 -5.07 118.16 105.52 1fi9 n LYS 79 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1fi9 n LYS 79 Cb 0.02 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.46 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1fi9 n MET 80 N -0.08 -3.38 0.00 -1.58 1.56 -1.26 -5.06 117.12 107.32 1fi9 n MET 80 Ca 0.00 0.57 0.00 0.00 -0.27 0.00 0.00 57.70 58.00 1fi9 n MET 80 Cb 0.00 -4.63 0.00 0.00 2.15 0.00 0.00 33.22 30.74 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1fi9 n ILE 81 N -2.94 0.00 -1.05 1.12 -5.35 -1.26 -5.01 119.36 104.87 1fi9 n ILE 81 Ca -0.14 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.45 1fi9 n ILE 81 Cb 0.60 -0.87 -0.06 0.00 -1.74 0.00 0.00 39.64 37.57 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fi9 n PHE 82 N 0.00 -2.83 -2.71 4.28 3.72 -1.26 -4.73 117.46 113.93 1fi9 n PHE 82 Ca 0.00 1.56 -0.06 0.00 -0.05 0.00 0.00 57.45 58.90 1fi9 n PHE 82 Cb 0.00 -2.57 0.05 0.00 -0.94 0.00 0.00 39.48 36.02 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fi9 n ALA 83 N -3.56 2.89 -0.27 4.37 0.00 -1.26 -5.04 120.51 117.63 1fi9 n ALA 83 Ca -0.06 -2.66 0.04 0.00 0.00 0.00 0.00 53.44 50.75 1fi9 n ALA 83 Cb 0.48 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.34 -1.94 0.00 0.00 0.00 -1.26 -4.85 105.19 96.79 1fi9 n GLY 84 Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.61 0.00 0.07 -0.61 2.08 -1.26 -5.00 119.36 112.02 1fi9 n ILE 85 Ca -0.01 0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1fi9 n ILE 85 Cb 0.13 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 -0.44 0.00 0.00 0.38 5.02 -1.26 -5.09 118.16 116.77 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 -2.87 0.00 -0.11 1.97 2.85 -1.26 -5.06 118.16 113.68 1fi9 n LYS 87 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1fi9 n LYS 87 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 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 0.51 0.19 -1.58 -0.00 -1.26 -4.62 118.16 111.40 1fi9 n LYS 88 Ca 0.00 0.15 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 1fi9 n LYS 88 Cb 0.00 -1.38 -0.04 0.00 -0.00 0.00 0.00 35.03 33.60 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1fi9 h THR 89 N -0.24 0.00 -0.54 0.58 2.02 -1.99 -0.66 112.91 112.09 1fi9 h THR 89 Ca -0.50 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.79 1fi9 h THR 89 Cb 1.66 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.97 1fi9 h THR 89 CO -0.15 0.00 -0.17 -0.33 0.37 0.00 0.00 175.52 175.24 1fi9 h GLU 90 N -0.52 -0.04 -0.86 6.66 5.08 -1.99 0.17 114.58 123.09 1fi9 h GLU 90 Ca -0.05 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1fi9 h GLU 90 Cb 0.41 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 1fi9 h GLU 90 CO 0.05 -0.03 0.48 -0.09 -1.00 0.00 0.00 179.01 178.43 1fi9 h ARG 91 N -0.04 0.74 -0.06 2.33 2.43 -1.77 0.10 114.38 118.11 1fi9 h ARG 91 Ca 0.26 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1fi9 h ARG 91 Cb 0.43 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1fi9 h ARG 91 CO -0.58 0.49 -0.12 1.49 -1.51 0.00 0.00 179.97 179.75 1fi9 h GLU 92 N 0.77 0.18 -0.68 0.20 4.22 0.70 -2.50 114.58 117.47 1fi9 h GLU 92 Ca 0.43 -0.12 0.15 0.00 0.08 0.00 0.00 59.36 59.90 1fi9 h GLU 92 Cb 0.47 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 1fi9 h GLU 92 CO -0.29 0.70 0.06 -0.44 -2.18 0.00 0.00 179.01 176.87 1fi9 h ASP 93 N -0.31 -0.19 -0.25 1.04 3.32 -0.43 -0.74 116.42 118.86 1fi9 h ASP 93 Ca 0.00 0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1fi9 h ASP 93 Cb 0.70 0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 1fi9 h ASP 93 CO 0.03 -0.10 -0.41 0.25 -1.72 0.00 0.00 179.24 177.29 1fi9 h LEU 94 N 0.17 -1.31 -0.69 1.55 6.46 -0.68 -0.57 115.31 120.23 1fi9 h LEU 94 Ca 0.37 0.19 0.15 0.00 -0.12 0.00 0.00 57.88 58.47 1fi9 h LEU 94 Cb 0.62 0.56 -0.12 0.00 -0.73 0.00 0.00 40.66 40.98 1fi9 h LEU 94 CO -0.54 -0.39 -0.07 0.40 -0.62 0.00 0.00 178.44 177.21 1fi9 h ILE 95 N -0.41 0.36 -0.37 4.05 5.03 -0.72 -0.70 117.51 124.75 1fi9 h ILE 95 Ca 0.11 -0.02 0.04 0.00 -0.12 0.00 0.00 64.86 64.86 1fi9 h ILE 95 Cb 0.60 0.30 -0.04 0.00 -3.03 0.00 0.00 36.82 34.65 1fi9 h ILE 95 CO -0.47 0.01 0.15 0.00 -0.68 0.00 0.00 178.15 177.16 1fi9 h ALA 96 N 1.67 0.44 0.46 1.87 0.00 0.03 0.24 119.26 123.97 1fi9 h ALA 96 Ca 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1fi9 h ALA 96 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1fi9 h ALA 96 CO -0.65 -0.23 -0.41 -0.92 0.00 0.00 0.00 179.25 177.04 1fi9 h TYR 97 N 0.32 -1.11 -0.86 0.00 3.20 -0.86 -2.96 116.97 114.70 1fi9 h TYR 97 Ca 0.17 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.22 1fi9 h TYR 97 Cb 0.12 0.42 -0.16 0.00 1.54 0.00 0.00 36.73 38.65 1fi9 h TYR 97 CO -0.13 -0.57 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.58 1fi9 h LEU 98 N -0.87 -0.72 -0.85 2.82 4.07 -0.51 0.96 115.31 120.20 1fi9 h LEU 98 Ca -0.05 0.25 0.20 0.00 0.08 0.00 0.00 57.88 58.37 1fi9 h LEU 98 Cb 0.76 0.51 -0.12 0.00 1.08 0.00 0.00 40.66 42.89 1fi9 h LEU 98 CO -0.03 -0.28 0.34 0.11 -1.08 0.00 0.00 178.44 177.49 1fi9 h LYS 99 N 0.01 0.37 0.04 1.13 1.57 -0.38 0.12 116.57 119.44 1fi9 h LYS 99 Ca 0.43 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1fi9 h LYS 99 Cb 0.70 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1fi9 h LYS 99 CO -0.87 0.24 -0.28 0.87 -0.57 0.00 0.00 179.45 178.85 1fi9 h LYS 100 N 0.38 0.12 0.05 3.15 1.79 -0.96 -3.31 116.57 117.78 1fi9 h LYS 100 Ca 0.52 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1fi9 h LYS 100 Cb 0.94 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1fi9 h LYS 100 CO -0.52 1.05 -0.02 0.00 -1.08 0.00 0.00 179.45 178.88 1fi9 h ALA 101 N 0.07 -0.06 -0.25 3.86 0.00 0.00 -0.52 119.26 122.36 1fi9 h ALA 101 Ca -0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1fi9 h ALA 101 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1fi9 h ALA 101 CO 0.05 -0.39 -0.18 1.79 0.00 0.00 0.00 179.25 180.52 1fi9 h THR 102 N -0.36 1.24 0.12 0.00 1.35 -0.99 -2.81 112.91 111.45 1fi9 h THR 102 Ca -0.01 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.75 1fi9 h THR 102 Cb 0.32 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1fi9 h THR 102 CO 0.01 0.35 -0.06 -1.13 -0.25 0.00 0.00 175.52 174.44 1fi9 h ASN 103 N 0.40 -0.13 0.00 5.36 -0.73 -1.59 0.12 115.58 119.01 1fi9 h ASN 103 Ca 0.07 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1fi9 h ASN 103 Cb 0.55 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1fi9 h ASN 103 CO 0.04 0.04 0.00 1.21 -0.37 0.00 0.00 177.43 178.35