#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 6.85 0.17 1.61 -1.08 -1.26 -4.72 116.67 118.24 1fi9 s ASP 2 Ca 0.00 1.46 -0.11 0.00 -0.52 0.00 0.00 52.55 53.38 1fi9 s ASP 2 Cb 0.00 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.98 1fi9 s ASP 2 CO 0.00 -0.88 1.65 0.58 0.52 0.00 0.00 175.17 177.04 1fi9 h VAL 3 N 5.68 1.26 0.35 1.11 2.07 -1.84 0.24 116.25 125.12 1fi9 h VAL 3 Ca -0.25 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1fi9 h VAL 3 Cb 1.10 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1fi9 h VAL 3 CO 1.00 0.37 -0.17 -0.33 0.02 0.00 0.00 177.57 178.46 1fi9 h GLU 4 N 0.87 -0.45 -0.37 1.57 4.39 -1.93 0.80 114.58 119.45 1fi9 h GLU 4 Ca 0.17 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1fi9 h GLU 4 Cb 0.44 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1fi9 h GLU 4 CO 0.01 -0.13 0.14 0.87 -1.16 0.00 0.00 179.01 178.74 1fi9 h LYS 5 N -0.84 0.29 -0.89 2.33 1.57 -1.92 -1.85 116.57 115.27 1fi9 h LYS 5 Ca -0.05 -0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 1fi9 h LYS 5 Cb 0.53 -0.07 -0.16 0.00 0.08 0.00 0.00 32.23 32.61 1fi9 h LYS 5 CO 0.08 0.20 -0.07 0.78 -0.57 0.00 0.00 179.45 179.86 1fi9 h GLY 6 N 0.30 0.92 0.96 3.86 0.00 -0.35 0.45 103.07 109.21 1fi9 h GLY 6 Ca 0.17 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1fi9 h GLY 6 CO -0.16 -0.39 -0.24 1.70 0.00 0.00 0.00 176.54 177.45 1fi9 h LYS 7 N 0.03 -0.62 -0.45 4.80 3.64 -0.04 -0.35 116.57 123.59 1fi9 h LYS 7 Ca 0.49 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.82 1fi9 h LYS 7 Cb 0.88 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1fi9 h LYS 7 CO -0.85 -0.41 -0.07 0.87 -2.27 0.00 0.00 179.45 176.72 1fi9 h LYS 8 N -0.64 0.78 0.64 1.90 6.56 -0.53 -2.56 116.57 122.73 1fi9 h LYS 8 Ca -0.06 -0.24 -0.03 0.00 -1.06 0.00 0.00 60.65 59.27 1fi9 h LYS 8 Cb 0.51 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1fi9 h LYS 8 CO 0.08 0.84 -0.41 0.82 -2.06 0.00 0.00 179.45 178.72 1fi9 h ILE 9 N 0.72 0.17 -0.83 1.86 2.04 0.07 0.25 117.51 121.79 1fi9 h ILE 9 Ca 0.13 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.19 1fi9 h ILE 9 Cb 0.54 0.17 -0.14 0.00 -0.74 0.00 0.00 36.82 36.65 1fi9 h ILE 9 CO 0.03 0.00 0.07 0.15 0.00 0.00 0.00 178.15 178.41 1fi9 h PHE 10 N -1.00 0.06 -0.28 1.37 3.57 -0.92 0.41 116.94 120.16 1fi9 h PHE 10 Ca -0.08 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1fi9 h PHE 10 Cb 0.81 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1fi9 h PHE 10 CO -0.11 -0.26 -0.20 0.28 -2.23 0.00 0.00 178.31 175.79 1fi9 h VAL 11 N 0.12 1.25 0.00 1.41 2.07 -1.01 0.12 116.25 120.21 1fi9 h VAL 11 Ca 0.48 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1fi9 h VAL 11 Cb 0.90 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1fi9 h VAL 11 CO -0.70 0.38 -0.69 1.56 0.02 0.00 0.00 177.57 178.14 1fi9 h GLN 12 N 0.46 0.00 0.00 1.57 4.20 0.22 -3.40 115.11 118.16 1fi9 h GLN 12 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1fi9 h GLN 12 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1fi9 h GLN 12 CO 0.04 0.00 -0.89 1.63 -0.67 0.00 0.00 178.83 178.94 1fi9 n LYS 13 N -2.16 0.46 -0.01 1.46 4.01 0.12 -4.98 118.16 117.06 1fi9 n LYS 13 Ca 0.03 0.18 -0.04 0.00 -0.51 0.00 0.00 58.31 57.97 1fi9 n LYS 13 Cb 0.45 -1.30 -0.01 0.00 -0.51 0.00 0.00 35.03 33.65 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 -3.87 0.00 -1.00 0.00 0.00 -0.56 -2.20 120.51 112.88 1fi9 n ALA 15 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 1fi9 n ALA 15 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 2.51 0.00 0.00 3.00 -1.26 -2.78 117.38 118.85 1fi9 n GLN 16 Ca 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 1fi9 n GLN 16 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 27.90 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fi9 s HIS 18 N -0.99 2.40 0.06 0.00 3.76 -1.12 -1.42 115.29 118.00 1fi9 s HIS 18 Ca 0.00 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 1fi9 s HIS 18 Cb 0.00 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 1fi9 s HIS 18 CO 0.00 0.65 -0.08 0.99 -0.85 0.00 0.00 174.74 175.45 1fi9 s THR 19 N -2.28 0.68 -0.35 1.30 2.01 -1.26 -4.20 115.64 111.53 1fi9 s THR 19 Ca 0.28 -1.35 0.14 0.00 0.31 0.00 0.00 61.69 61.08 1fi9 s THR 19 Cb -0.06 -0.97 0.40 0.00 0.01 0.00 0.00 72.50 71.88 1fi9 s THR 19 CO 0.15 -0.49 0.87 1.33 -0.69 0.00 0.00 174.62 175.79 1fi9 n VAL 20 N 1.02 0.35 -3.80 3.82 0.24 -1.26 -0.24 118.33 118.45 1fi9 n VAL 20 Ca -0.20 -3.65 -0.12 0.00 -2.04 0.00 0.00 64.34 58.33 1fi9 n VAL 20 Cb 0.56 0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.49 0.67 0.44 7.34 1.03 -1.26 -4.44 118.70 119.99 1fi9 s GLU 21 Ca 0.33 -0.40 -0.24 0.00 0.03 0.00 0.00 54.97 54.69 1fi9 s GLU 21 Cb 0.40 0.29 -0.10 0.00 -0.80 0.00 0.00 34.13 33.92 1fi9 s GLU 21 CO -0.03 -0.19 1.13 0.36 -1.33 0.00 0.00 175.26 175.20 1fi9 n LYS 22 N 1.01 1.57 -2.56 -4.83 -0.00 -1.26 -2.54 118.16 109.55 1fi9 n LYS 22 Ca -0.20 0.56 -0.16 0.00 -0.00 0.00 0.00 58.31 58.51 1fi9 n LYS 22 Cb 0.57 -2.21 0.01 0.00 -0.00 0.00 0.00 35.03 33.41 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 1.02 -0.22 0.00 2.58 0.00 -1.26 -4.91 105.19 102.40 1fi9 n GLY 23 Ca 0.09 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.17 -0.62 2.84 -0.02 0.00 -1.05 -4.99 105.19 100.17 1fi9 n GLY 24 Ca -0.13 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.82 -2.04 -0.01 1.61 5.02 -1.26 -4.78 118.16 115.89 1fi9 n LYS 25 Ca 0.10 1.34 -0.00 0.00 -2.02 0.00 0.00 58.31 57.72 1fi9 n LYS 25 Cb 0.04 -2.48 -0.00 0.00 -0.02 0.00 0.00 35.03 32.57 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 -0.94 0.00 -1.02 2.13 3.86 -1.93 -3.35 115.15 113.91 1fi9 h HIS 26 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1fi9 h HIS 26 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1fi9 h HIS 26 CO 0.00 0.00 0.00 1.63 0.86 0.00 0.00 177.93 180.42 1fi9 n LYS 27 N -2.43 0.00 0.04 2.45 5.02 -1.26 -4.04 118.16 117.95 1fi9 n LYS 27 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1fi9 n LYS 27 Cb 0.02 0.00 -0.01 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 -2.85 -0.18 2.02 -1.98 -3.42 112.91 106.49 1fi9 h THR 28 Ca 0.00 -0.05 -0.55 0.00 0.77 0.00 0.00 66.41 66.58 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 0.91 -0.83 0.37 0.00 0.00 175.52 175.97 1fi9 s GLY 29 N -1.50 1.72 0.76 2.16 0.00 -0.50 -4.98 107.32 104.98 1fi9 s GLY 29 Ca -0.02 0.71 -0.15 0.00 0.00 0.00 0.00 44.72 45.27 1fi9 s GLY 29 CO 0.05 2.60 1.23 2.56 0.00 0.00 0.00 173.10 179.55 1fi9 s PRO 30 N 3.18 1.89 -0.27 2.90 0.04 -1.26 -4.48 135.00 137.00 1fi9 s PRO 30 Ca 0.62 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 1fi9 s PRO 30 Cb -0.28 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1fi9 s PRO 30 CO 0.22 -2.05 2.20 -1.71 0.04 0.00 0.00 177.00 175.71 1fi9 n ASN 31 N -2.91 2.77 0.05 6.66 5.15 -1.26 -4.37 115.26 121.35 1fi9 n ASN 31 Ca 0.14 0.31 0.07 0.00 -0.60 0.00 0.00 54.58 54.51 1fi9 n ASN 31 Cb 0.50 -1.42 0.33 0.00 -0.53 0.00 0.00 39.78 38.66 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fi9 n LEU 32 N 10.76 0.23 -4.60 1.20 4.77 0.66 -4.70 117.00 125.33 1fi9 n LEU 32 Ca 0.35 0.57 -0.63 0.00 -0.03 0.00 0.00 56.01 56.27 1fi9 n LEU 32 Cb 0.35 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 1fi9 n LEU 32 CO 0.71 -0.45 1.37 1.57 -1.33 0.00 0.00 177.39 179.26 1fi9 n HIS 33 N -1.77 1.65 -0.79 -1.77 -0.00 -1.25 -0.82 115.22 110.46 1fi9 n HIS 33 Ca 0.02 0.89 0.00 0.00 0.46 0.00 0.00 57.72 59.09 1fi9 n HIS 33 Cb 0.14 -2.30 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 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 5.10 0.76 0.08 1.57 0.00 -0.44 -5.02 105.19 107.24 1fi9 n GLY 34 Ca 0.37 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.17 -9.70 0.99 5.85 -1.22 -3.42 115.31 107.64 1fi9 h LEU 35 Ca 0.00 0.01 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1fi9 h LEU 35 Cb 0.20 0.05 0.04 0.00 0.37 0.00 0.00 40.66 41.31 1fi9 h LEU 35 CO 0.00 -0.10 0.65 -0.36 -0.34 0.00 0.00 178.44 178.28 1fi9 s PHE 36 N -3.04 3.25 0.00 1.25 0.08 -1.26 -3.22 117.98 115.03 1fi9 s PHE 36 Ca -0.03 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.27 1fi9 s PHE 36 Cb 0.00 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1fi9 s PHE 36 CO 0.09 -1.86 0.00 0.41 -0.10 0.00 0.00 175.22 173.77 1fi9 n GLY 37 N 2.20 0.87 3.37 4.36 0.00 -1.26 -4.99 105.19 109.76 1fi9 n GLY 37 Ca 0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.74 1.18 0.44 1.61 3.52 -1.20 -5.11 118.95 115.66 1fi9 s ARG 38 Ca 0.00 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 1fi9 s ARG 38 Cb 0.00 0.53 -0.05 0.00 -1.56 0.00 0.00 34.95 33.88 1fi9 s ARG 38 CO 0.00 -0.49 0.76 0.21 -0.81 0.00 0.00 175.30 174.97 1fi9 s LYS 39 N -3.72 3.63 0.10 5.12 2.20 -1.26 -3.84 119.74 121.96 1fi9 s LYS 39 Ca 0.02 0.27 -0.31 0.00 -0.36 0.00 0.00 55.97 55.59 1fi9 s LYS 39 Cb 0.00 -2.40 -0.13 0.00 -1.51 0.00 0.00 37.83 33.79 1fi9 s LYS 39 CO -0.12 -0.12 1.50 1.79 -0.36 0.00 0.00 175.35 178.04 1fi9 h THR 40 N 0.60 0.00 0.00 3.43 1.35 -1.73 -2.92 112.91 113.64 1fi9 h THR 40 Ca -0.47 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.24 1fi9 h THR 40 Cb 1.20 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 1fi9 h THR 40 CO 0.63 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.50 1fi9 n GLY 41 N -1.43 2.50 2.44 5.82 0.00 -1.25 -4.33 105.19 108.94 1fi9 n GLY 41 Ca -0.07 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 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 2.69 0.65 -2.63 1.61 6.02 -1.10 -4.90 117.38 119.72 1fi9 n GLN 42 Ca 0.32 -2.64 -0.31 0.00 -0.01 0.00 0.00 57.00 54.36 1fi9 n GLN 42 Cb 0.65 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s ALA 43 N -0.26 3.20 -0.07 -1.58 0.00 -1.26 -4.82 121.76 116.97 1fi9 s ALA 43 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 1fi9 s ALA 43 Cb 0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1fi9 s ALA 43 CO -0.16 -0.11 0.30 -1.00 0.00 0.00 0.00 175.76 174.78 1fi9 h PRO 44 N 1.12 -0.24 -1.30 0.00 0.13 -1.96 -3.43 132.00 126.32 1fi9 h PRO 44 Ca -0.47 0.02 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 1fi9 h PRO 44 Cb 1.19 0.05 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 1fi9 h PRO 44 CO 0.63 -0.16 -0.94 0.41 -0.23 0.00 0.00 178.00 177.71 1fi9 n GLY 45 N 1.13 2.55 3.24 1.56 0.00 -1.26 -5.11 105.19 107.30 1fi9 n GLY 45 Ca -0.03 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.51 1.22 -0.79 1.61 5.36 -1.26 -4.97 117.98 117.63 1fi9 s PHE 46 Ca 0.34 -0.88 -0.24 0.00 -0.96 0.00 0.00 56.93 55.18 1fi9 s PHE 46 Cb 0.33 -0.67 0.05 0.00 -0.34 0.00 0.00 43.02 42.40 1fi9 s PHE 46 CO -0.07 -0.06 1.22 -0.08 -1.46 0.00 0.00 175.22 174.78 1fi9 s THR 47 N -3.49 4.00 0.33 0.12 -1.32 -1.26 -4.88 115.64 109.15 1fi9 s THR 47 Ca 0.19 -0.20 -0.28 0.00 -1.21 0.00 0.00 61.69 60.19 1fi9 s THR 47 Cb 0.04 -4.88 -0.09 0.00 -1.51 0.00 0.00 72.50 66.06 1fi9 s THR 47 CO 0.01 -1.74 1.12 -0.72 -2.21 0.00 0.00 174.62 171.08 1fi9 s TYR 48 N 4.89 3.38 0.41 9.09 -0.85 -1.26 -5.06 117.35 127.94 1fi9 s TYR 48 Ca 0.34 1.64 0.08 0.00 -0.52 0.00 0.00 57.07 58.60 1fi9 s TYR 48 Cb -0.08 -3.31 -0.01 0.00 0.38 0.00 0.00 41.96 38.94 1fi9 s TYR 48 CO 0.06 -0.82 0.44 -0.08 -1.52 0.00 0.00 175.55 173.64 1fi9 s THR 49 N -1.30 2.92 -1.02 -3.49 -1.32 -1.26 -5.01 115.64 105.16 1fi9 s THR 49 Ca 0.50 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1fi9 s THR 49 Cb -0.30 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1fi9 s THR 49 CO 0.39 -0.02 0.50 -0.90 -2.21 0.00 0.00 174.62 172.38 1fi9 n ASP 50 N -1.64 0.96 -0.06 8.08 5.68 -1.26 -3.08 116.55 125.22 1fi9 n ASP 50 Ca 0.04 -1.96 -0.12 0.00 -0.50 0.00 0.00 54.79 52.25 1fi9 n ASP 50 Cb 0.60 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 40.07 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fi9 n ALA 51 N -0.00 2.06 -0.15 2.12 0.00 -1.26 -4.23 120.51 119.06 1fi9 n ALA 51 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1fi9 n ALA 51 Cb 0.24 0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.50 0.53 -0.65 0.00 -1.24 -1.90 -0.94 115.58 110.87 1fi9 h ASN 52 Ca -0.27 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.68 1fi9 h ASN 52 Cb 1.11 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 40.00 1fi9 h ASN 52 CO -0.16 0.43 0.40 0.50 -1.29 0.00 0.00 177.43 177.32 1fi9 h LYS 53 N 0.58 0.89 0.00 6.67 3.64 -1.83 -1.71 116.57 124.80 1fi9 h LYS 53 Ca 0.16 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1fi9 h LYS 53 Cb 0.01 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1fi9 h LYS 53 CO -0.03 0.61 -0.07 -0.97 -2.27 0.00 0.00 179.45 176.73 1fi9 h ASN 54 N 0.90 0.00 0.21 4.20 -0.73 -1.37 -3.19 115.58 115.60 1fi9 h ASN 54 Ca 0.24 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 1fi9 h ASN 54 Cb -0.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.54 1fi9 h ASN 54 CO -0.05 0.07 -0.10 0.50 -0.37 0.00 0.00 177.43 177.48 1fi9 h LYS 55 N 0.00 -0.28 -5.49 6.67 3.64 -0.54 -3.48 116.57 117.09 1fi9 h LYS 55 Ca -0.00 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.12 1fi9 h LYS 55 Cb 0.13 0.06 0.19 0.00 -0.41 0.00 0.00 32.23 32.20 1fi9 h LYS 55 CO 0.01 0.08 -0.82 0.41 -2.27 0.00 0.00 179.45 176.85 1fi9 n GLY 56 N -0.10 -0.88 3.32 5.01 0.00 -1.21 -5.03 105.19 106.30 1fi9 n GLY 56 Ca -0.09 0.42 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.38 0.75 -0.17 -0.61 -4.36 -1.26 -4.96 121.20 107.21 1fi9 s ILE 57 Ca 0.30 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.63 1fi9 s ILE 57 Cb -0.04 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 1fi9 s ILE 57 CO 0.73 -0.17 0.02 0.42 0.24 0.00 0.00 174.94 176.18 1fi9 s THR 58 N -3.62 4.40 0.18 8.37 -4.23 -1.26 -2.26 115.64 117.22 1fi9 s THR 58 Ca 0.33 -0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1fi9 s THR 58 Cb 0.07 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.88 1fi9 s THR 58 CO 0.11 0.48 1.04 0.26 -0.54 0.00 0.00 174.62 175.97 1fi9 s TRP 59 N 0.33 3.70 0.18 3.99 0.52 -1.25 -4.89 118.94 121.53 1fi9 s TRP 59 Ca 0.00 1.70 0.00 0.00 0.02 0.00 0.00 56.10 57.82 1fi9 s TRP 59 Cb -0.13 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 1fi9 s TRP 59 CO 0.01 -0.25 0.00 0.36 0.02 0.00 0.00 176.95 177.09 1fi9 n LYS 60 N 2.27 0.00 0.00 4.98 2.85 -1.26 -4.00 118.16 123.00 1fi9 n LYS 60 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1fi9 n LYS 60 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1fi9 n GLU 61 N -3.01 0.00 -0.04 -1.58 0.28 -1.26 -5.00 120.64 110.04 1fi9 n GLU 61 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1fi9 n GLU 61 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 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 -0.02 -0.85 3.44 5.08 -1.98 0.27 114.58 120.52 1fi9 h GLU 62 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1fi9 h GLU 62 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1fi9 h GLU 62 CO 0.00 -0.01 0.52 1.15 -1.00 0.00 0.00 179.01 179.67 1fi9 h THR 63 N -0.02 1.03 -0.26 1.13 2.02 -1.95 -1.88 112.91 112.97 1fi9 h THR 63 Ca 0.01 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1fi9 h THR 63 Cb 0.06 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 1fi9 h THR 63 CO -0.09 0.17 0.14 0.25 0.37 0.00 0.00 175.52 176.36 1fi9 h LEU 64 N 0.95 0.21 -1.21 2.58 6.46 -1.83 0.72 115.31 123.19 1fi9 h LEU 64 Ca 0.37 0.01 0.22 0.00 -0.12 0.00 0.00 57.88 58.36 1fi9 h LEU 64 Cb 0.18 -0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 39.98 1fi9 h LEU 64 CO -0.18 0.16 0.62 0.24 -0.62 0.00 0.00 178.44 178.67 1fi9 h MET 65 N 0.29 0.56 0.04 1.25 2.86 0.36 0.78 114.93 121.07 1fi9 h MET 65 Ca 0.11 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1fi9 h MET 65 Cb 0.02 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1fi9 h MET 65 CO -0.06 0.37 -0.02 0.93 1.06 0.00 0.00 176.91 179.19 1fi9 h GLU 66 N 0.58 -0.05 -0.68 1.72 5.08 -1.14 -2.98 114.58 117.10 1fi9 h GLU 66 Ca 0.56 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 59.07 1fi9 h GLU 66 Cb 1.14 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.29 1fi9 h GLU 66 CO -0.32 0.62 0.06 -0.92 -1.00 0.00 0.00 179.01 177.45 1fi9 h TYR 67 N -0.84 0.06 -0.40 4.33 3.20 0.49 0.35 116.97 124.16 1fi9 h TYR 67 Ca -0.01 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1fi9 h TYR 67 Cb 0.69 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1fi9 h TYR 67 CO 0.17 -0.15 0.08 -0.07 -1.64 0.00 0.00 178.16 176.55 1fi9 h LEU 68 N 0.17 0.62 -3.70 2.82 3.38 -1.05 -1.43 115.31 116.11 1fi9 h LEU 68 Ca 0.37 -0.25 -0.48 0.00 0.09 0.00 0.00 57.88 57.61 1fi9 h LEU 68 Cb 0.62 -0.16 -0.24 0.00 0.09 0.00 0.00 40.66 40.96 1fi9 h LEU 68 CO -0.54 0.71 0.61 1.21 0.09 0.00 0.00 178.44 180.52 1fi9 n GLU 69 N -4.54 2.17 0.00 1.13 0.00 0.41 -4.06 120.64 115.75 1fi9 n GLU 69 Ca -0.01 -2.54 0.00 0.00 0.00 0.00 0.00 57.16 54.62 1fi9 n GLU 69 Cb 0.22 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 29.67 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 -0.67 0.00 0.02 4.31 3.02 0.93 -4.76 115.26 118.12 1fi9 n ASN 70 Ca 0.50 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.92 1fi9 n ASN 70 Cb 1.09 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 40.17 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 0.00 -0.08 -2.26 3.52 0.13 -1.45 -3.26 132.00 128.59 1fi9 h PRO 71 Ca 0.00 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.95 1fi9 h PRO 71 Cb 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 1fi9 h PRO 71 CO 0.00 0.38 0.08 0.36 -0.23 0.00 0.00 178.00 178.59 1fi9 n LYS 72 N -4.90 1.77 0.00 0.86 0.00 -1.26 -3.23 118.16 111.39 1fi9 n LYS 72 Ca -0.08 -0.92 0.00 0.00 -0.00 0.00 0.00 58.31 57.31 1fi9 n LYS 72 Cb 0.26 -1.98 0.00 0.00 -0.00 0.00 0.00 35.03 33.31 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 2.70 0.00 0.12 -1.58 4.81 -1.23 -4.94 118.16 118.04 1fi9 n LYS 73 Ca 0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.77 1fi9 n LYS 73 Cb 0.71 -0.32 -0.03 0.00 0.02 0.00 0.00 35.03 35.41 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fi9 h TYR 74 N 0.00 -0.35 -2.17 5.64 -1.99 -1.70 -3.44 116.97 112.96 1fi9 h TYR 74 Ca 0.00 -0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.45 1fi9 h TYR 74 Cb 0.21 0.13 -0.33 0.00 2.00 0.00 0.00 36.73 38.74 1fi9 h TYR 74 CO 0.00 -0.20 -0.59 -1.50 -0.00 0.00 0.00 178.16 175.88 1fi9 s ILE 75 N -3.77 -0.44 -1.20 -2.88 1.10 -1.26 -5.07 121.20 107.66 1fi9 s ILE 75 Ca -0.05 -0.26 -0.18 0.00 -0.51 0.00 0.00 60.65 59.65 1fi9 s ILE 75 Cb 0.01 -0.85 -0.03 0.00 0.15 0.00 0.00 42.46 41.74 1fi9 s ILE 75 CO 0.16 -0.29 2.03 -0.81 -2.11 0.00 0.00 174.94 173.91 1fi9 n PRO 76 N 5.33 2.39 0.00 3.50 -0.04 -1.26 -4.14 135.00 140.78 1fi9 n PRO 76 Ca -0.03 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1fi9 n PRO 76 Cb 0.48 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 1fi9 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 77 N 4.62 -1.90 2.17 0.55 0.00 -1.26 -5.06 105.19 104.30 1fi9 n GLY 77 Ca 0.50 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.41 1fi9 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fi9 n THR 78 N 0.00 0.00 -2.66 2.61 -1.04 -1.26 -4.73 114.28 107.20 1fi9 n THR 78 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1fi9 n THR 78 Cb 0.00 -0.11 0.07 0.00 -1.82 0.00 0.00 70.33 68.47 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 -3.38 0.06 -1.57 -2.82 0.00 -1.26 -5.11 118.16 104.07 1fi9 n LYS 79 Ca 0.00 -0.61 -0.38 0.00 -0.00 0.00 0.00 58.31 57.32 1fi9 n LYS 79 Cb 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 35.03 35.01 1fi9 n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fi9 s MET 80 N 0.31 2.36 0.00 -1.58 0.23 -1.26 -4.88 119.30 114.48 1fi9 s MET 80 Ca 0.25 1.57 0.00 0.00 -1.03 0.00 0.00 55.69 56.47 1fi9 s MET 80 Cb 0.19 -4.53 0.00 0.00 -1.53 0.00 0.00 34.83 28.96 1fi9 s MET 80 CO -0.08 -2.98 0.00 0.44 -2.03 0.00 0.00 175.02 170.37 1fi9 n ILE 81 N 7.93 0.00 -0.72 3.16 -5.35 -1.26 -5.06 119.36 118.07 1fi9 n ILE 81 Ca 0.35 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.51 1fi9 n ILE 81 Cb 0.52 0.00 0.15 0.00 -1.74 0.00 0.00 39.64 38.58 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 -0.23 -4.00 4.28 1.16 -1.26 -4.84 117.46 112.57 1fi9 n PHE 82 Ca 0.00 0.31 -0.10 0.00 -1.87 0.00 0.00 57.45 55.79 1fi9 n PHE 82 Cb 0.00 -1.89 -0.07 0.00 -1.61 0.00 0.00 39.48 35.91 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fi9 s ALA 83 N -2.52 0.11 0.00 1.98 0.00 -1.26 -4.80 121.76 115.27 1fi9 s ALA 83 Ca 0.63 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1fi9 s ALA 83 Cb -0.22 0.97 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1fi9 s ALA 83 CO 0.62 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1fi9 n GLY 84 N -0.25 -0.77 0.00 0.00 0.00 -1.26 -5.02 105.19 97.89 1fi9 n GLY 84 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.46 0.00 0.09 -0.61 2.08 -1.26 -4.90 119.36 114.31 1fi9 n ILE 85 Ca 0.00 1.11 0.00 0.00 0.56 0.00 0.00 62.75 64.42 1fi9 n ILE 85 Cb 0.00 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.01 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 -1.13 0.00 0.00 0.38 5.02 -1.26 -5.07 118.16 116.10 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 -3.09 0.00 -0.03 1.97 2.85 -1.26 -5.07 118.16 113.52 1fi9 n LYS 87 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 1fi9 n LYS 87 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 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 2.59 0.17 -1.58 -0.00 -1.26 -4.65 118.16 113.43 1fi9 n LYS 88 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1fi9 n LYS 88 Cb 0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 35.03 33.83 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 0.00 0.00 -0.79 0.58 2.02 -2.00 -3.09 112.91 109.63 1fi9 h THR 89 Ca -0.18 -0.10 0.16 0.00 0.77 0.00 0.00 66.41 67.06 1fi9 h THR 89 Cb 1.39 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.70 1fi9 h THR 89 CO 0.00 0.00 0.32 -0.33 0.37 0.00 0.00 175.52 175.89 1fi9 h GLU 90 N -0.55 0.43 -0.76 6.66 3.07 -1.98 0.24 114.58 121.68 1fi9 h GLU 90 Ca -0.05 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1fi9 h GLU 90 Cb 0.35 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1fi9 h GLU 90 CO 0.08 0.28 0.47 0.07 -1.40 0.00 0.00 179.01 178.51 1fi9 h ARG 91 N 0.44 0.87 -0.49 2.33 0.11 -1.83 0.16 114.38 115.98 1fi9 h ARG 91 Ca 0.45 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 60.42 1fi9 h ARG 91 Cb 0.72 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.59 1fi9 h ARG 91 CO -0.44 0.58 0.06 1.49 0.10 0.00 0.00 179.97 181.76 1fi9 h GLU 92 N 0.90 0.82 -0.70 0.08 4.22 -0.54 -2.14 114.58 117.21 1fi9 h GLU 92 Ca 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1fi9 h GLU 92 Cb 0.08 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1fi9 h GLU 92 CO -0.14 0.83 0.45 -0.44 -2.18 0.00 0.00 179.01 177.53 1fi9 h ASP 93 N 0.69 0.82 -0.28 1.04 3.32 -0.43 -0.56 116.42 121.01 1fi9 h ASP 93 Ca 0.15 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.22 1fi9 h ASP 93 Cb 0.42 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.69 1fi9 h ASP 93 CO 0.01 0.61 -0.37 0.25 -1.72 0.00 0.00 179.24 178.03 1fi9 h LEU 94 N 0.95 -1.19 -0.63 1.55 6.46 -0.38 -0.14 115.31 121.93 1fi9 h LEU 94 Ca 0.25 0.18 0.13 0.00 -0.12 0.00 0.00 57.88 58.33 1fi9 h LEU 94 Cb -0.08 0.52 -0.10 0.00 -0.73 0.00 0.00 40.66 40.27 1fi9 h LEU 94 CO -0.05 -0.36 0.04 0.40 -0.62 0.00 0.00 178.44 177.84 1fi9 h ILE 95 N -0.35 0.51 -0.46 4.05 5.03 -0.70 -0.30 117.51 125.29 1fi9 h ILE 95 Ca 0.13 -0.05 0.09 0.00 -0.12 0.00 0.00 64.86 64.90 1fi9 h ILE 95 Cb 0.57 0.35 -0.07 0.00 -3.03 0.00 0.00 36.82 34.64 1fi9 h ILE 95 CO -0.48 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 177.03 1fi9 h ALA 96 N 1.56 0.43 0.91 1.87 0.00 0.52 0.18 119.26 124.72 1fi9 h ALA 96 Ca 0.33 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1fi9 h ALA 96 Cb 0.54 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1fi9 h ALA 96 CO -0.51 -0.39 -0.43 -0.92 0.00 0.00 0.00 179.25 177.00 1fi9 h TYR 97 N 0.12 -1.13 -0.95 0.00 3.20 -0.87 -3.25 116.97 114.09 1fi9 h TYR 97 Ca 0.23 -0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.27 1fi9 h TYR 97 Cb 0.33 0.37 -0.18 0.00 1.54 0.00 0.00 36.73 38.79 1fi9 h TYR 97 CO -0.29 -0.70 -0.21 1.28 -1.64 0.00 0.00 178.16 176.60 1fi9 n LEU 98 N -5.58 -0.31 -0.27 2.82 4.32 -0.17 -0.56 117.00 117.25 1fi9 n LEU 98 Ca -0.15 1.64 -0.11 0.00 -0.02 0.00 0.00 56.01 57.37 1fi9 n LEU 98 Cb 0.48 -0.51 -0.07 0.00 -1.62 0.00 0.00 43.42 41.70 1fi9 n LEU 98 CO 0.37 -1.58 0.51 0.11 -1.22 0.00 0.00 177.39 175.58 1fi9 h LYS 99 N 0.00 -0.19 -0.16 3.23 1.57 -0.69 0.19 116.57 120.52 1fi9 h LYS 99 Ca 0.47 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1fi9 h LYS 99 Cb 0.76 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1fi9 h LYS 99 CO -0.97 -0.12 -0.36 -0.22 -0.57 0.00 0.00 179.45 177.21 1fi9 h LYS 100 N -0.19 0.52 -0.28 3.15 1.63 -1.13 -3.01 116.57 117.26 1fi9 h LYS 100 Ca 0.15 -0.35 0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1fi9 h LYS 100 Cb 0.52 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1fi9 h LYS 100 CO -0.77 0.96 0.15 0.00 -3.45 0.00 0.00 179.45 176.35 1fi9 h ALA 101 N 0.56 0.34 -0.13 5.00 0.00 -0.09 0.24 119.26 125.18 1fi9 h ALA 101 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1fi9 h ALA 101 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1fi9 h ALA 101 CO 0.08 -0.23 -0.50 1.79 0.00 0.00 0.00 179.25 180.39 1fi9 h THR 102 N 0.32 1.34 0.57 0.00 1.35 -0.78 -3.23 112.91 112.48 1fi9 h THR 102 Ca 0.11 -1.75 -0.03 0.00 -0.55 0.00 0.00 66.41 64.20 1fi9 h THR 102 Cb 0.01 1.79 0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1fi9 h THR 102 CO -0.06 0.53 -0.27 -1.13 -0.25 0.00 0.00 175.52 174.33 1fi9 h ASN 103 N 0.28 -0.65 0.00 5.36 -0.73 -1.26 -1.16 115.58 117.42 1fi9 h ASN 103 Ca 0.01 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1fi9 h ASN 103 Cb 0.99 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.74 1fi9 h ASN 103 CO 0.08 -0.37 0.00 -0.62 -0.37 0.00 0.00 177.43 176.16