#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 6.68 0.16 1.61 2.15 -1.26 -4.68 116.67 121.34 1fi9 s ASP 2 Ca 0.00 2.47 -0.11 0.00 0.43 0.00 0.00 52.55 55.35 1fi9 s ASP 2 Cb 0.00 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1fi9 s ASP 2 CO 0.00 -0.77 1.62 0.58 -0.17 0.00 0.00 175.17 176.43 1fi9 h VAL 3 N 4.26 1.26 0.32 1.11 2.07 -1.85 0.11 116.25 123.53 1fi9 h VAL 3 Ca -0.42 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1fi9 h VAL 3 Cb 1.20 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1fi9 h VAL 3 CO 0.90 0.40 -0.15 -0.33 0.02 0.00 0.00 177.57 178.41 1fi9 h GLU 4 N 0.85 -0.41 -0.79 1.57 4.39 -1.91 0.16 114.58 118.43 1fi9 h GLU 4 Ca 0.15 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1fi9 h GLU 4 Cb 0.54 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1fi9 h GLU 4 CO 0.03 -0.08 0.52 0.87 -1.16 0.00 0.00 179.01 179.19 1fi9 h LYS 5 N -0.92 1.05 -0.62 2.33 1.57 -1.93 -0.90 116.57 117.15 1fi9 h LYS 5 Ca -0.04 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1fi9 h LYS 5 Cb 0.52 -0.23 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 1fi9 h LYS 5 CO 0.07 0.69 0.10 0.78 -0.57 0.00 0.00 179.45 180.52 1fi9 h GLY 6 N 1.08 0.77 0.83 3.86 0.00 -0.59 0.29 103.07 109.31 1fi9 h GLY 6 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1fi9 h GLY 6 CO -0.06 -0.15 -0.32 1.70 0.00 0.00 0.00 176.54 177.70 1fi9 h LYS 7 N 0.22 -0.76 -0.73 4.80 3.64 0.61 -0.04 116.57 124.31 1fi9 h LYS 7 Ca 0.33 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1fi9 h LYS 7 Cb 0.51 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1fi9 h LYS 7 CO -0.45 -0.51 0.28 0.87 -2.27 0.00 0.00 179.45 177.37 1fi9 h LYS 8 N -0.79 1.09 0.16 1.90 6.56 -0.65 -1.38 116.57 123.46 1fi9 h LYS 8 Ca -0.06 -0.21 0.01 0.00 -1.06 0.00 0.00 60.65 59.34 1fi9 h LYS 8 Cb 0.65 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.11 1fi9 h LYS 8 CO 0.04 0.91 -0.24 0.82 -2.06 0.00 0.00 179.45 178.92 1fi9 h ILE 9 N 1.05 0.48 -0.73 1.86 2.04 -0.30 0.15 117.51 122.05 1fi9 h ILE 9 Ca 0.24 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.26 1fi9 h ILE 9 Cb 0.23 0.48 -0.12 0.00 -0.74 0.00 0.00 36.82 36.67 1fi9 h ILE 9 CO -0.02 0.00 0.09 0.15 0.00 0.00 0.00 178.15 178.38 1fi9 h PHE 10 N -0.47 0.12 -0.02 1.37 3.57 -0.39 0.38 116.94 121.50 1fi9 h PHE 10 Ca 0.02 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1fi9 h PHE 10 Cb 0.47 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1fi9 h PHE 10 CO -0.20 -0.16 -0.29 0.28 -2.23 0.00 0.00 178.31 175.72 1fi9 h VAL 11 N 0.18 1.22 0.00 1.41 2.07 -0.51 0.12 116.25 120.74 1fi9 h VAL 11 Ca 0.40 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1fi9 h VAL 11 Cb 0.70 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1fi9 h VAL 11 CO -0.57 0.30 -0.84 1.56 0.02 0.00 0.00 177.57 178.04 1fi9 h GLN 12 N 0.04 0.00 0.00 1.57 1.08 0.21 -3.39 115.11 114.62 1fi9 h GLN 12 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1fi9 h GLN 12 Cb 0.53 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1fi9 h GLN 12 CO 0.04 0.00 -1.76 1.63 -0.95 0.00 0.00 178.83 177.79 1fi9 n LYS 13 N -2.43 0.30 -0.03 1.46 4.76 0.10 -4.95 118.16 117.37 1fi9 n LYS 13 Ca 0.01 0.11 -0.07 0.00 -2.87 0.00 0.00 58.31 55.50 1fi9 n LYS 13 Cb 0.50 -1.08 -0.02 0.00 -1.84 0.00 0.00 35.03 32.59 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 -3.24 0.00 -1.06 0.00 0.00 -0.38 -1.90 120.51 113.92 1fi9 n ALA 15 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1fi9 n ALA 15 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 2.78 0.00 0.00 6.02 -1.26 -2.96 117.38 121.96 1fi9 n GLN 16 Ca 0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1fi9 n GLN 16 Cb 0.00 -2.47 0.00 0.00 1.02 0.00 0.00 30.24 28.79 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 -1.43 2.58 -0.16 0.00 3.76 -1.16 -1.18 115.29 117.70 1fi9 s HIS 18 Ca 0.00 -0.24 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1fi9 s HIS 18 Cb 0.00 -1.31 -0.12 0.00 1.11 0.00 0.00 32.58 32.26 1fi9 s HIS 18 CO 0.00 0.45 -0.12 2.41 -0.85 0.00 0.00 174.74 176.63 1fi9 n THR 19 N 0.43 0.95 -2.75 1.30 -1.04 -1.26 -4.40 114.28 107.51 1fi9 n THR 19 Ca -0.13 -0.39 -0.18 0.00 -2.04 0.00 0.00 64.05 61.30 1fi9 n THR 19 Cb 0.54 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.92 -1.05 -3.93 12.58 0.24 -1.26 -4.86 118.33 117.12 1fi9 n VAL 20 Ca -0.28 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 1fi9 n VAL 20 Cb 0.83 -2.38 -0.00 0.00 -1.47 0.00 0.00 33.84 30.82 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 -5.38 2.15 0.43 7.34 4.04 -1.26 -3.34 118.70 122.68 1fi9 s GLU 21 Ca 0.15 -1.63 -0.14 0.00 0.04 0.00 0.00 54.97 53.39 1fi9 s GLU 21 Cb -0.07 0.55 -0.07 0.00 0.02 0.00 0.00 34.13 34.55 1fi9 s GLU 21 CO 0.18 -0.97 0.85 -1.59 -1.84 0.00 0.00 175.26 171.89 1fi9 s LYS 22 N -2.47 3.89 -1.09 -4.83 0.00 -1.26 -3.45 119.74 110.53 1fi9 s LYS 22 Ca 0.22 0.69 0.00 0.00 0.00 0.00 0.00 55.97 56.89 1fi9 s LYS 22 Cb -0.03 -2.30 0.00 0.00 0.00 0.00 0.00 37.83 35.50 1fi9 s LYS 22 CO 0.16 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.83 1fi9 n GLY 23 N -1.24 1.00 0.00 0.59 0.00 -1.26 -4.83 105.19 99.44 1fi9 n GLY 23 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.13 -0.82 1.24 -0.02 0.00 -1.22 -4.99 105.19 99.50 1fi9 n GLY 24 Ca -0.10 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.33 -2.57 0.01 1.61 5.02 -1.26 -4.77 118.16 114.86 1fi9 n LYS 25 Ca 0.06 1.79 -0.01 0.00 -2.02 0.00 0.00 58.31 58.14 1fi9 n LYS 25 Cb 0.13 -3.11 -0.01 0.00 -0.02 0.00 0.00 35.03 32.03 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 -1.16 -0.07 -0.85 2.13 3.86 -1.94 -3.31 115.15 113.81 1fi9 h HIS 26 Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1fi9 h HIS 26 Cb 1.14 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1fi9 h HIS 26 CO -1.71 -0.05 0.00 1.63 0.86 0.00 0.00 177.93 178.67 1fi9 n LYS 27 N -3.43 0.00 0.10 2.45 5.02 -1.26 -4.08 118.16 116.97 1fi9 n LYS 27 Ca -0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 1fi9 n LYS 27 Cb 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 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 -3.26 -0.18 2.02 -1.96 -3.43 112.91 106.09 1fi9 h THR 28 Ca 0.00 -0.30 -0.55 0.00 0.77 0.00 0.00 66.41 66.33 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 0.55 -0.83 0.37 0.00 0.00 175.52 175.61 1fi9 s GLY 29 N -2.26 2.44 0.51 2.16 0.00 -0.32 -4.99 107.32 104.86 1fi9 s GLY 29 Ca -0.04 0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.92 1fi9 s GLY 29 CO 0.13 1.92 1.25 -1.55 0.00 0.00 0.00 173.10 174.86 1fi9 n PRO 30 N 4.76 1.63 -1.79 2.90 -0.04 -1.26 -4.29 135.00 136.92 1fi9 n PRO 30 Ca 0.09 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.79 1fi9 n PRO 30 Cb 0.49 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 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 -0.83 4.77 0.00 3.54 4.22 -1.25 -4.25 114.94 121.15 1fi9 s ASN 31 Ca 0.68 0.59 -0.04 0.00 -2.14 0.00 0.00 52.86 51.96 1fi9 s ASN 31 Cb -0.45 -2.52 -0.16 0.00 1.28 0.00 0.00 41.25 39.40 1fi9 s ASN 31 CO 0.52 -2.75 2.75 0.18 -2.04 0.00 0.00 177.10 175.77 1fi9 n LEU 32 N 14.74 4.59 -3.62 3.54 4.77 -1.26 -4.71 117.00 135.05 1fi9 n LEU 32 Ca 0.31 -2.60 -0.41 0.00 -0.03 0.00 0.00 56.01 53.28 1fi9 n LEU 32 Cb 0.52 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.45 1fi9 n LEU 32 CO 0.69 1.24 2.86 1.57 -1.33 0.00 0.00 177.39 182.42 1fi9 n HIS 33 N 2.25 3.21 0.00 -1.77 -0.00 -1.26 -3.02 115.22 114.62 1fi9 n HIS 33 Ca 0.26 -2.98 0.00 0.00 0.46 0.00 0.00 57.72 55.46 1fi9 n HIS 33 Cb 0.68 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 3.98 0.05 0.25 1.57 0.00 -1.01 -4.91 105.19 105.11 1fi9 n GLY 34 Ca 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.47 -5.16 0.99 5.85 -1.80 -3.38 115.31 111.34 1fi9 h LEU 35 Ca 0.00 0.02 -0.49 0.00 0.84 0.00 0.00 57.88 58.25 1fi9 h LEU 35 Cb 0.00 0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.17 1fi9 h LEU 35 CO 0.00 -0.05 2.96 0.49 -0.34 0.00 0.00 178.44 181.50 1fi9 n PHE 36 N -5.07 1.73 0.00 1.25 3.01 -1.26 -3.06 117.46 114.06 1fi9 n PHE 36 Ca -0.07 -2.40 0.00 0.00 1.01 0.00 0.00 57.45 55.99 1fi9 n PHE 36 Cb 0.22 -2.01 0.00 0.00 -0.01 0.00 0.00 39.48 37.68 1fi9 n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fi9 n GLY 37 N 3.60 -0.02 3.84 1.37 0.00 -1.26 -5.00 105.19 107.73 1fi9 n GLY 37 Ca 0.59 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 1.73 0.04 1.61 3.52 -1.17 -5.06 118.95 119.62 1fi9 s ARG 38 Ca 0.00 -0.95 0.01 0.00 -0.13 0.00 0.00 55.73 54.67 1fi9 s ARG 38 Cb 0.00 0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 33.94 1fi9 s ARG 38 CO 0.00 -0.79 0.08 0.21 -0.81 0.00 0.00 175.30 173.99 1fi9 s LYS 39 N -3.87 2.97 0.00 5.12 2.20 -1.26 -3.89 119.74 121.01 1fi9 s LYS 39 Ca 0.11 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1fi9 s LYS 39 Cb -0.06 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1fi9 s LYS 39 CO 0.06 0.60 0.48 0.25 -0.36 0.00 0.00 175.35 176.39 1fi9 n THR 40 N 0.80 0.00 -0.62 3.43 -2.24 -0.67 -1.61 114.28 113.37 1fi9 n THR 40 Ca -0.11 0.87 -0.06 0.00 -2.27 0.00 0.00 64.05 62.49 1fi9 n THR 40 Cb 0.52 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.92 2.32 2.12 3.38 0.00 -1.26 -3.56 105.19 107.27 1fi9 n GLY 41 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 2.28 1.56 -1.38 1.61 1.13 -0.63 -4.99 117.38 116.96 1fi9 n GLN 42 Ca 0.21 -3.19 -0.33 0.00 -1.94 0.00 0.00 57.00 51.75 1fi9 n GLN 42 Cb 0.58 -1.28 0.09 0.00 0.11 0.00 0.00 30.24 29.74 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 -2.68 2.11 -1.20 -1.58 0.00 -1.23 -4.83 121.76 112.35 1fi9 s ALA 43 Ca 0.34 0.71 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 1fi9 s ALA 43 Cb 0.36 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 1fi9 s ALA 43 CO -0.07 -1.87 1.96 -0.35 0.00 0.00 0.00 175.76 175.44 1fi9 n PRO 44 N -2.95 2.39 -3.52 0.00 -0.04 -1.26 -4.33 135.00 125.28 1fi9 n PRO 44 Ca 0.12 -2.59 -0.23 0.00 -0.04 0.00 0.00 63.50 60.77 1fi9 n PRO 44 Cb 0.51 -3.35 0.05 0.00 -0.04 0.00 0.00 33.50 30.67 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 4.90 -0.86 3.08 0.55 0.00 -1.26 -5.00 105.19 106.59 1fi9 n GLY 45 Ca 0.49 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.69 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -3.48 1.41 -0.45 1.61 5.36 -1.26 -5.09 117.98 116.08 1fi9 s PHE 46 Ca 0.34 -0.38 -0.27 0.00 -0.96 0.00 0.00 56.93 55.66 1fi9 s PHE 46 Cb -0.08 -0.96 -0.05 0.00 -0.34 0.00 0.00 43.02 41.59 1fi9 s PHE 46 CO 0.80 -0.14 2.16 0.99 -1.46 0.00 0.00 175.22 177.58 1fi9 s THR 47 N 0.09 3.15 0.22 0.12 2.01 -1.26 -4.92 115.64 115.05 1fi9 s THR 47 Ca -0.03 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 1fi9 s THR 47 Cb -0.10 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 1fi9 s THR 47 CO 0.01 -0.28 0.48 -0.72 -0.69 0.00 0.00 174.62 173.43 1fi9 s TYR 48 N 10.03 3.47 0.46 4.92 -0.85 -1.26 -5.06 117.35 129.05 1fi9 s TYR 48 Ca 0.89 0.62 -0.21 0.00 -0.52 0.00 0.00 57.07 57.84 1fi9 s TYR 48 Cb -0.20 -2.07 -0.09 0.00 0.38 0.00 0.00 41.96 39.98 1fi9 s TYR 48 CO 0.27 0.29 1.03 0.99 -1.52 0.00 0.00 175.55 176.62 1fi9 s THR 49 N -1.88 3.85 -0.90 -3.49 2.01 -1.26 -4.93 115.64 109.04 1fi9 s THR 49 Ca 0.43 1.22 -0.22 0.00 0.31 0.00 0.00 61.69 63.43 1fi9 s THR 49 Cb -0.11 -3.53 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 1fi9 s THR 49 CO 0.27 -0.18 1.92 -0.67 -0.69 0.00 0.00 174.62 175.27 1fi9 n ASP 50 N -0.69 2.73 0.08 3.53 2.03 -1.26 -2.39 116.55 120.58 1fi9 n ASP 50 Ca 0.08 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1fi9 n ASP 50 Cb 0.52 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fi9 n ALA 51 N 9.53 0.00 -0.15 -1.67 0.00 -1.26 -4.92 120.51 122.03 1fi9 n ALA 51 Ca 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1fi9 n ALA 51 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.59 -0.01 0.00 -1.24 -1.81 -0.63 115.58 112.48 1fi9 h ASN 52 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.89 1fi9 h ASN 52 Cb 0.00 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 1fi9 h ASN 52 CO 0.00 0.55 0.01 0.50 -1.29 0.00 0.00 177.43 177.20 1fi9 h LYS 53 N 0.59 0.00 0.00 6.67 3.64 -1.90 -0.33 116.57 125.24 1fi9 h LYS 53 Ca 0.16 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1fi9 h LYS 53 Cb 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1fi9 h LYS 53 CO -0.02 0.00 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.05 1fi9 h ASN 54 N 0.00 0.00 0.55 4.20 -0.73 -1.45 -3.34 115.58 114.81 1fi9 h ASN 54 Ca 0.01 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 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 -0.00 0.14 -0.26 0.50 -0.37 0.00 0.00 177.43 177.43 1fi9 h LYS 55 N 0.00 -0.71 -0.27 6.67 3.64 -0.36 -3.48 116.57 122.07 1fi9 h LYS 55 Ca -0.00 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1fi9 h LYS 55 Cb 0.80 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 1fi9 h LYS 55 CO 0.02 -0.47 -0.10 0.41 -2.27 0.00 0.00 179.45 177.03 1fi9 n GLY 56 N -0.38 0.81 3.99 5.01 0.00 -1.23 -5.02 105.19 108.38 1fi9 n GLY 56 Ca -0.09 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.20 1.99 0.48 -0.61 -4.36 -1.26 -4.80 121.20 110.45 1fi9 s ILE 57 Ca 0.00 -1.18 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1fi9 s ILE 57 Cb 0.00 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.56 1fi9 s ILE 57 CO 0.00 0.00 0.66 0.42 0.24 0.00 0.00 174.94 176.26 1fi9 s THR 58 N -2.70 2.82 -0.56 8.37 -4.23 -1.26 -1.67 115.64 116.41 1fi9 s THR 58 Ca 0.52 -0.88 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1fi9 s THR 58 Cb -0.04 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 71.14 1fi9 s THR 58 CO 0.32 0.00 0.78 0.79 -0.54 0.00 0.00 174.62 175.97 1fi9 n TRP 59 N -2.06 2.87 -0.35 3.99 7.02 -1.25 -4.72 117.44 122.94 1fi9 n TRP 59 Ca 0.09 -3.99 -0.12 0.00 -1.02 0.00 0.00 57.50 52.46 1fi9 n TRP 59 Cb 0.59 -0.49 0.05 0.00 -2.42 0.00 0.00 31.31 29.04 1fi9 n TRP 59 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1fi9 n LYS 60 N 0.52 1.59 0.00 -0.99 4.76 -1.26 -4.15 118.16 118.63 1fi9 n LYS 60 Ca 0.29 -1.26 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 1fi9 n LYS 60 Cb 0.45 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1fi9 n GLU 61 N 0.17 0.00 -0.21 1.97 -0.00 -1.26 -4.65 120.64 116.66 1fi9 n GLU 61 Ca 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.41 1fi9 n GLU 61 Cb 0.77 -0.26 0.12 0.00 -0.00 0.00 0.00 31.44 32.08 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1fi9 h GLU 62 N 0.00 0.37 0.03 3.44 5.08 -1.95 0.30 114.58 121.84 1fi9 h GLU 62 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fi9 h GLU 62 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1fi9 h GLU 62 CO 0.00 0.25 -0.01 1.79 -1.00 0.00 0.00 179.01 180.03 1fi9 h THR 63 N 0.38 1.29 -0.24 1.13 1.35 -1.84 -3.13 112.91 111.85 1fi9 h THR 63 Ca 0.32 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1fi9 h THR 63 Cb 0.43 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1fi9 h THR 63 CO -0.34 0.26 0.15 0.17 -0.25 0.00 0.00 175.52 175.51 1fi9 h LEU 64 N -0.48 0.28 -0.97 3.87 -0.00 -1.74 -2.43 115.31 113.85 1fi9 h LEU 64 Ca -0.00 -0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.02 1fi9 h LEU 64 Cb 0.45 -0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.95 1fi9 h LEU 64 CO 0.01 0.21 0.59 0.24 -0.00 0.00 0.00 178.44 179.49 1fi9 h MET 65 N 0.33 0.82 0.04 0.17 2.86 -0.36 0.48 114.93 119.27 1fi9 h MET 65 Ca 0.09 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1fi9 h MET 65 Cb -0.02 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.45 1fi9 h MET 65 CO -0.02 0.54 -0.02 0.93 1.06 0.00 0.00 176.91 179.41 1fi9 h GLU 66 N 0.85 -0.05 -0.77 1.72 3.07 -1.51 -3.28 114.58 114.60 1fi9 h GLU 66 Ca 0.52 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.56 1fi9 h GLU 66 Cb 0.66 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.45 1fi9 h GLU 66 CO -0.32 0.60 0.12 -0.92 -1.40 0.00 0.00 179.01 177.09 1fi9 h TYR 67 N -0.86 0.15 0.00 4.33 3.20 -0.91 0.52 116.97 123.41 1fi9 h TYR 67 Ca -0.01 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1fi9 h TYR 67 Cb 0.68 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1fi9 h TYR 67 CO 0.17 -0.18 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.32 1fi9 h LEU 68 N 0.19 0.00 -3.01 2.82 3.38 -1.10 -2.50 115.31 115.08 1fi9 h LEU 68 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1fi9 h LEU 68 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1fi9 h LEU 68 CO -0.60 0.12 0.00 1.21 0.09 0.00 0.00 178.44 179.26 1fi9 n GLU 69 N -3.24 1.81 -2.68 1.13 2.13 0.58 -3.18 120.64 117.19 1fi9 n GLU 69 Ca 0.01 -2.31 -0.04 0.00 0.66 0.00 0.00 57.16 55.48 1fi9 n GLU 69 Cb 0.39 -1.38 0.11 0.00 0.27 0.00 0.00 31.44 30.83 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1fi9 n ASN 70 N -1.13 -1.47 0.27 4.31 3.02 0.15 -4.77 115.26 115.65 1fi9 n ASN 70 Ca 0.12 -2.23 0.18 0.00 -0.03 0.00 0.00 54.58 52.62 1fi9 n ASN 70 Cb 0.55 1.29 0.93 0.00 -0.61 0.00 0.00 39.78 41.94 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fi9 h PRO 71 N 2.40 0.00 -2.24 3.52 0.13 -1.64 -3.10 132.00 131.08 1fi9 h PRO 71 Ca -0.27 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.08 1fi9 h PRO 71 Cb 1.19 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.03 1fi9 h PRO 71 CO 0.02 0.00 0.85 1.63 -0.23 0.00 0.00 178.00 180.27 1fi9 n LYS 72 N -2.81 5.06 0.07 0.86 4.01 -1.26 -4.40 118.16 119.70 1fi9 n LYS 72 Ca -0.02 -4.63 0.00 0.00 -0.51 0.00 0.00 58.31 53.16 1fi9 n LYS 72 Cb 0.11 -2.43 0.00 0.00 -0.51 0.00 0.00 35.03 32.20 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 -0.11 0.00 -1.26 1.97 5.02 -1.17 -4.99 118.16 117.62 1fi9 n LYS 73 Ca 0.46 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 1fi9 n LYS 73 Cb 0.27 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.23 1fi9 n LYS 73 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1fi9 n TYR 74 N -2.83 2.06 -1.85 2.13 4.02 -1.26 -4.32 117.16 115.12 1fi9 n TYR 74 Ca 0.00 -1.87 -0.01 0.00 -0.01 0.00 0.00 57.90 56.00 1fi9 n TYR 74 Cb 0.00 -1.83 -0.01 0.00 -0.02 0.00 0.00 39.34 37.48 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 6.06 -5.89 -1.47 -0.72 -0.00 -1.26 -4.89 119.36 111.19 1fi9 n ILE 75 Ca 0.49 0.81 -0.42 0.00 -0.00 0.00 0.00 62.75 63.63 1fi9 n ILE 75 Cb 0.41 -4.59 -0.03 0.00 -0.00 0.00 0.00 39.64 35.42 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 0.46 2.09 -2.65 0.38 -0.04 -1.26 -4.03 135.00 129.94 1fi9 n PRO 76 Ca -0.10 -2.22 -0.05 0.00 -0.04 0.00 0.00 63.50 61.08 1fi9 n PRO 76 Cb 0.16 -3.12 0.10 0.00 -0.04 0.00 0.00 33.50 30.59 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 4.46 1.12 0.00 0.55 0.00 -1.26 -5.06 105.19 105.00 1fi9 n GLY 77 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.75 0.00 0.03 2.61 -2.24 -1.26 -4.69 114.28 107.98 1fi9 n THR 78 Ca -0.09 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1fi9 n THR 78 Cb 0.82 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fi9 n LYS 79 N -1.49 0.00 -1.47 -0.78 2.85 -1.26 -5.13 118.16 110.88 1fi9 n LYS 79 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 79 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -2.51 -3.95 0.00 -1.58 0.00 -1.26 -5.07 117.12 102.74 1fi9 n MET 80 Ca 0.00 3.04 0.00 0.00 -0.00 0.00 0.00 57.70 60.74 1fi9 n MET 80 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 33.22 29.51 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 -2.20 0.00 -4.45 1.12 -0.00 -1.26 -5.14 119.36 107.43 1fi9 n ILE 81 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.48 1fi9 n ILE 81 Cb 0.36 -0.28 -0.10 0.00 -0.00 0.00 0.00 39.64 39.62 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 1fi9 s PHE 82 N -1.67 2.54 0.02 4.28 -0.12 -1.26 -5.08 117.98 116.69 1fi9 s PHE 82 Ca 0.00 -0.62 -0.28 0.00 -0.05 0.00 0.00 56.93 55.99 1fi9 s PHE 82 Cb 0.00 -1.78 -0.16 0.00 -0.63 0.00 0.00 43.02 40.44 1fi9 s PHE 82 CO 0.00 0.38 1.26 0.00 -0.05 0.00 0.00 175.22 176.82 1fi9 h ALA 83 N 1.69 -0.81 -2.39 1.99 0.00 -1.99 -3.46 119.26 114.30 1fi9 h ALA 83 Ca -0.43 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.37 1fi9 h ALA 83 Cb 1.25 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1fi9 h ALA 83 CO 0.76 -0.83 0.42 0.41 0.00 0.00 0.00 179.25 180.01 1fi9 n GLY 84 N -0.76 0.83 0.00 0.00 0.00 -1.26 -4.20 105.19 99.80 1fi9 n GLY 84 Ca -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.53 0.00 0.20 -0.61 2.08 -1.19 -4.97 119.36 114.34 1fi9 n ILE 85 Ca -0.02 0.99 0.00 0.00 0.56 0.00 0.00 62.75 64.27 1fi9 n ILE 85 Cb 0.45 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 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 -0.54 0.00 0.00 0.38 5.02 -1.26 -5.07 118.16 116.69 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 -3.49 0.00 -0.08 1.97 2.85 -1.26 -5.08 118.16 113.07 1fi9 n LYS 87 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1fi9 n LYS 87 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1fi9 n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1fi9 h LYS 88 N 0.00 0.00 0.18 -1.58 3.64 -2.01 -3.35 116.57 113.44 1fi9 h LYS 88 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fi9 h LYS 88 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1fi9 h LYS 88 CO 0.00 0.78 -0.20 1.15 -2.27 0.00 0.00 179.45 178.92 1fi9 h THR 89 N -1.00 0.00 -0.67 1.00 2.02 -1.98 0.69 112.91 112.96 1fi9 h THR 89 Ca -0.16 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.15 1fi9 h THR 89 Cb 0.98 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.30 1fi9 h THR 89 CO -0.10 0.00 0.20 -0.33 0.37 0.00 0.00 175.52 175.66 1fi9 h GLU 90 N -0.38 0.32 -0.46 6.66 5.08 -1.99 0.15 114.58 123.96 1fi9 h GLU 90 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1fi9 h GLU 90 Cb 0.34 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1fi9 h GLU 90 CO -0.04 0.21 0.29 -0.09 -1.00 0.00 0.00 179.01 178.38 1fi9 h ARG 91 N 0.33 0.62 -0.09 2.33 1.12 -1.64 0.05 114.38 117.11 1fi9 h ARG 91 Ca 0.36 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.17 1fi9 h ARG 91 Cb 0.54 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1fi9 h ARG 91 CO -0.41 0.44 0.02 1.49 -3.11 0.00 0.00 179.97 178.39 1fi9 h GLU 92 N 0.61 0.14 -0.63 0.20 4.22 0.96 -1.37 114.58 118.71 1fi9 h GLU 92 Ca 0.17 -0.04 0.12 0.00 0.08 0.00 0.00 59.36 59.69 1fi9 h GLU 92 Cb -0.03 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.08 1fi9 h GLU 92 CO -0.03 0.34 -0.26 -0.44 -2.18 0.00 0.00 179.01 176.44 1fi9 h ASP 93 N -0.08 -0.93 -0.41 1.04 3.32 -0.69 -0.31 116.42 118.36 1fi9 h ASP 93 Ca 0.03 0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.35 1fi9 h ASP 93 Cb 0.27 0.51 -0.09 0.00 0.22 0.00 0.00 39.33 40.25 1fi9 h ASP 93 CO 0.00 -0.27 -0.51 0.25 -1.72 0.00 0.00 179.24 176.98 1fi9 h LEU 94 N -0.09 -1.72 -0.66 1.55 6.46 -0.49 -1.07 115.31 119.30 1fi9 h LEU 94 Ca 0.28 0.24 0.14 0.00 -0.12 0.00 0.00 57.88 58.41 1fi9 h LEU 94 Cb 0.53 0.72 -0.11 0.00 -0.73 0.00 0.00 40.66 41.07 1fi9 h LEU 94 CO -0.69 -0.40 0.06 0.40 -0.62 0.00 0.00 178.44 177.19 1fi9 h ILE 95 N -0.38 0.50 -0.46 4.05 5.03 -0.06 -0.30 117.51 125.88 1fi9 h ILE 95 Ca 0.10 -0.06 0.06 0.00 -0.12 0.00 0.00 64.86 64.84 1fi9 h ILE 95 Cb 0.60 0.31 -0.05 0.00 -3.03 0.00 0.00 36.82 34.65 1fi9 h ILE 95 CO -0.59 0.03 0.16 0.00 -0.68 0.00 0.00 178.15 177.07 1fi9 h ALA 96 N 1.58 0.55 0.83 1.87 0.00 0.18 0.17 119.26 124.44 1fi9 h ALA 96 Ca 0.36 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1fi9 h ALA 96 Cb 0.59 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1fi9 h ALA 96 CO -0.52 -0.23 -0.42 -0.92 0.00 0.00 0.00 179.25 177.16 1fi9 h TYR 97 N 0.33 -1.08 -0.86 0.00 3.20 -0.90 -3.23 116.97 114.42 1fi9 h TYR 97 Ca 0.22 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.23 1fi9 h TYR 97 Cb 0.22 0.36 -0.16 0.00 1.54 0.00 0.00 36.73 38.69 1fi9 h TYR 97 CO -0.16 -0.66 -0.22 1.25 -1.64 0.00 0.00 178.16 176.73 1fi9 h LEU 98 N -1.14 -0.80 -0.58 2.82 5.85 -0.26 0.15 115.31 121.36 1fi9 h LEU 98 Ca -0.11 0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1fi9 h LEU 98 Cb 0.88 0.53 -0.09 0.00 0.37 0.00 0.00 40.66 42.35 1fi9 h LEU 98 CO 0.18 -0.28 -0.56 0.11 -0.34 0.00 0.00 178.44 177.55 1fi9 h LYS 99 N -0.00 -0.27 0.19 1.25 1.57 -0.71 0.12 116.57 118.70 1fi9 h LYS 99 Ca 0.41 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1fi9 h LYS 99 Cb 0.63 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1fi9 h LYS 99 CO -0.88 -0.18 -0.09 0.87 -0.57 0.00 0.00 179.45 178.60 1fi9 h LYS 100 N -0.28 -0.24 0.12 3.15 1.79 -0.85 -2.76 116.57 117.49 1fi9 h LYS 100 Ca 0.10 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1fi9 h LYS 100 Cb 0.55 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1fi9 h LYS 100 CO -0.69 -0.03 -0.06 0.00 -1.08 0.00 0.00 179.45 177.59 1fi9 h ALA 101 N 0.37 -0.16 -0.91 3.86 0.00 -0.53 0.40 119.26 122.29 1fi9 h ALA 101 Ca -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1fi9 h ALA 101 Cb 0.32 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1fi9 h ALA 101 CO 0.04 -0.56 0.59 1.79 0.00 0.00 0.00 179.25 181.11 1fi9 h THR 102 N -0.21 1.15 0.70 0.00 1.35 -0.78 -2.85 112.91 112.28 1fi9 h THR 102 Ca -0.02 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.42 1fi9 h THR 102 Cb 0.17 -0.10 0.01 0.00 -1.73 0.00 0.00 68.15 66.50 1fi9 h THR 102 CO 0.03 0.21 -0.34 -1.13 -0.25 0.00 0.00 175.52 174.04 1fi9 h ASN 103 N 1.14 -0.80 0.00 5.36 -0.73 -1.08 -2.69 115.58 116.78 1fi9 h ASN 103 Ca 0.37 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.55 1fi9 h ASN 103 Cb 0.02 0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1fi9 h ASN 103 CO -0.12 -0.55 0.00 -0.62 -0.37 0.00 0.00 177.43 175.77