#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 6.80 0.23 1.61 2.15 -1.26 -4.67 116.67 121.52 1fi9 s ASP 2 Ca 0.00 2.00 -0.06 0.00 0.43 0.00 0.00 52.55 54.91 1fi9 s ASP 2 Cb 0.00 -2.54 0.21 0.00 -0.30 0.00 0.00 42.92 40.30 1fi9 s ASP 2 CO 0.00 -0.84 1.79 0.58 -0.17 0.00 0.00 175.17 176.53 1fi9 h VAL 3 N 5.49 1.25 0.61 1.11 2.07 -1.84 0.17 116.25 125.11 1fi9 h VAL 3 Ca -0.34 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1fi9 h VAL 3 Cb 1.15 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1fi9 h VAL 3 CO 0.96 0.33 -0.29 -0.33 0.02 0.00 0.00 177.57 178.25 1fi9 h GLU 4 N 1.10 -0.79 -0.94 1.57 4.39 -1.92 0.16 114.58 118.15 1fi9 h GLU 4 Ca 0.25 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.10 1fi9 h GLU 4 Cb 0.23 0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 28.98 1fi9 h GLU 4 CO -0.02 -0.52 0.58 0.87 -1.16 0.00 0.00 179.01 178.76 1fi9 h LYS 5 N -0.92 0.94 -0.72 2.33 1.57 -1.93 -0.56 116.57 117.29 1fi9 h LYS 5 Ca -0.08 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1fi9 h LYS 5 Cb 0.63 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 1fi9 h LYS 5 CO 0.14 0.62 0.35 0.78 -0.57 0.00 0.00 179.45 180.77 1fi9 h GLY 6 N 0.97 1.08 0.95 3.86 0.00 -0.45 0.34 103.07 109.81 1fi9 h GLY 6 Ca 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1fi9 h GLY 6 CO -0.23 0.03 -0.29 1.70 0.00 0.00 0.00 176.54 177.75 1fi9 h LYS 7 N 0.58 -0.78 -0.97 4.80 3.64 0.77 -0.16 116.57 124.45 1fi9 h LYS 7 Ca 0.36 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1fi9 h LYS 7 Cb 0.41 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 1fi9 h LYS 7 CO -0.29 -0.50 0.63 0.87 -2.27 0.00 0.00 179.45 177.90 1fi9 h LYS 8 N -0.87 1.28 0.63 1.90 1.79 -0.59 -0.61 116.57 120.10 1fi9 h LYS 8 Ca -0.08 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1fi9 h LYS 8 Cb 0.64 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1fi9 h LYS 8 CO 0.14 0.86 -0.48 0.82 -1.08 0.00 0.00 179.45 179.71 1fi9 h ILE 9 N 1.32 0.05 -0.81 1.86 2.04 -0.23 0.48 117.51 122.21 1fi9 h ILE 9 Ca 0.35 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.41 1fi9 h ILE 9 Cb -0.14 0.05 -0.14 0.00 -0.74 0.00 0.00 36.82 35.86 1fi9 h ILE 9 CO -0.07 0.00 0.11 0.15 0.00 0.00 0.00 178.15 178.34 1fi9 h PHE 10 N -1.07 0.13 -0.02 1.37 3.57 -0.33 0.51 116.94 121.10 1fi9 h PHE 10 Ca -0.08 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1fi9 h PHE 10 Cb 0.89 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1fi9 h PHE 10 CO -0.17 -0.22 -0.54 0.28 -2.23 0.00 0.00 178.31 175.43 1fi9 h VAL 11 N 0.16 1.38 -0.01 1.41 2.07 -0.64 0.10 116.25 120.73 1fi9 h VAL 11 Ca 0.47 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1fi9 h VAL 11 Cb 0.89 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1fi9 h VAL 11 CO -0.66 0.53 -0.53 0.00 0.02 0.00 0.00 177.57 176.93 1fi9 n GLN 12 N -3.91 0.59 -0.05 1.57 1.13 0.16 -4.33 117.38 112.55 1fi9 n GLN 12 Ca -0.02 -0.43 -0.11 0.00 -1.94 0.00 0.00 57.00 54.51 1fi9 n GLN 12 Cb 0.55 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.83 0.21 0.00 -1.09 4.76 0.15 -5.02 118.16 116.35 1fi9 n LYS 13 Ca 0.08 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1fi9 n LYS 13 Cb 0.38 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 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 -1.50 0.00 -0.65 0.00 0.00 -0.37 -3.42 120.51 114.56 1fi9 n ALA 15 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1fi9 n ALA 15 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 1.30 0.00 0.00 6.02 -1.26 -3.11 117.38 120.33 1fi9 n GLN 16 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1fi9 n GLN 16 Cb 0.00 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.77 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 -1.98 2.80 0.03 0.00 3.76 -1.18 -4.17 115.29 114.55 1fi9 s HIS 18 Ca 0.00 -0.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.75 1fi9 s HIS 18 Cb 0.00 -1.29 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 1fi9 s HIS 18 CO 0.00 0.57 -0.06 0.99 -0.85 0.00 0.00 174.74 175.38 1fi9 s THR 19 N -2.06 0.44 -0.42 1.30 2.01 -1.26 -4.20 115.64 111.45 1fi9 s THR 19 Ca 0.30 -0.86 0.11 0.00 0.31 0.00 0.00 61.69 61.55 1fi9 s THR 19 Cb -0.08 -0.50 0.36 0.00 0.01 0.00 0.00 72.50 72.30 1fi9 s THR 19 CO 0.20 -0.29 0.82 1.33 -0.69 0.00 0.00 174.62 175.99 1fi9 n VAL 20 N 1.82 0.79 -3.70 3.82 0.24 -1.26 -0.15 118.33 119.88 1fi9 n VAL 20 Ca -0.21 -4.68 -0.13 0.00 -2.04 0.00 0.00 64.34 57.29 1fi9 n VAL 20 Cb 0.56 -0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.78 0.84 0.25 7.34 -1.05 -1.26 -4.60 118.70 117.43 1fi9 s GLU 21 Ca 0.41 -0.32 -0.31 0.00 -0.15 0.00 0.00 54.97 54.60 1fi9 s GLU 21 Cb 0.35 0.37 -0.11 0.00 -0.44 0.00 0.00 34.13 34.29 1fi9 s GLU 21 CO -0.09 -0.27 1.64 0.21 0.95 0.00 0.00 175.26 177.71 1fi9 s LYS 22 N -2.13 4.13 0.00 -4.83 2.36 -1.26 -1.16 119.74 116.86 1fi9 s LYS 22 Ca -0.08 2.57 0.00 0.00 -2.55 0.00 0.00 55.97 55.91 1fi9 s LYS 22 Cb -0.02 -3.06 0.00 0.00 -1.05 0.00 0.00 37.83 33.70 1fi9 s LYS 22 CO -0.00 -0.67 0.00 0.41 1.55 0.00 0.00 175.35 176.63 1fi9 n GLY 23 N 3.05 2.52 3.66 5.54 0.00 -1.26 -5.03 105.19 113.67 1fi9 n GLY 23 Ca 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 1.09 3.93 -0.02 0.00 -0.31 -4.97 105.19 102.92 1fi9 n GLY 24 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fi9 s LYS 25 N 4.25 0.96 -0.32 1.61 1.02 -1.26 -4.60 119.74 121.40 1fi9 s LYS 25 Ca 0.98 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.60 1fi9 s LYS 25 Cb -0.86 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 34.63 1fi9 s LYS 25 CO 0.57 -2.19 0.00 -3.38 -0.92 0.00 0.00 175.35 169.43 1fi9 s HIS 26 N -3.76 3.60 -0.05 3.18 -3.43 -1.26 -4.17 115.29 109.40 1fi9 s HIS 26 Ca 0.71 -2.77 -0.03 0.00 -0.80 0.00 0.00 55.06 52.17 1fi9 s HIS 26 Cb -0.05 -2.61 -0.01 0.00 -1.43 0.00 0.00 32.58 28.48 1fi9 s HIS 26 CO 0.51 -0.93 -0.05 0.87 -2.00 0.00 0.00 174.74 173.14 1fi9 h LYS 27 N 7.67 0.00 0.00 -0.38 6.56 -1.95 -3.46 116.57 125.01 1fi9 h LYS 27 Ca -0.09 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.20 1fi9 h LYS 27 Cb 1.03 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.64 1fi9 h LYS 27 CO 0.50 0.00 -2.06 2.41 -2.06 0.00 0.00 179.45 178.24 1fi9 n THR 28 N -3.08 1.06 -4.45 -0.16 -1.04 -1.26 -5.04 114.28 100.31 1fi9 n THR 28 Ca -0.02 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.05 61.41 1fi9 n THR 28 Cb 0.08 -1.37 -0.10 0.00 -1.82 0.00 0.00 70.33 67.12 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 -5.63 1.90 0.80 3.41 0.00 -1.26 -5.14 107.32 101.41 1fi9 s GLY 29 Ca -0.26 -1.94 -0.11 0.00 0.00 0.00 0.00 44.72 42.41 1fi9 s GLY 29 CO 0.39 -1.86 1.09 2.56 0.00 0.00 0.00 173.10 175.28 1fi9 s PRO 30 N -3.73 2.02 -0.04 2.90 0.04 -1.26 -4.49 135.00 130.44 1fi9 s PRO 30 Ca 0.30 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 1fi9 s PRO 30 Cb 0.04 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1fi9 s PRO 30 CO 0.13 -1.76 1.97 0.54 0.04 0.00 0.00 177.00 177.92 1fi9 s ASN 31 N -3.50 6.25 0.52 6.66 4.22 -1.26 -4.44 114.94 123.38 1fi9 s ASN 31 Ca 0.61 2.39 0.35 0.00 -2.14 0.00 0.00 52.86 54.07 1fi9 s ASN 31 Cb -0.17 -2.53 1.85 0.00 1.28 0.00 0.00 41.25 41.69 1fi9 s ASN 31 CO 0.56 -1.25 2.06 -0.07 -2.04 0.00 0.00 177.10 176.36 1fi9 h LEU 32 N 11.62 0.00 -8.25 3.54 3.38 -0.91 -3.42 115.31 121.26 1fi9 h LEU 32 Ca -0.46 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.91 1fi9 h LEU 32 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1fi9 h LEU 32 CO 0.95 0.00 1.55 1.57 0.09 0.00 0.00 178.44 182.60 1fi9 n HIS 33 N -2.74 1.13 0.00 1.13 -0.00 -1.19 -0.21 115.22 113.35 1fi9 n HIS 33 Ca -0.02 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1fi9 n HIS 33 Cb 0.08 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.50 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 6.65 1.03 0.51 1.57 0.00 -1.14 -5.00 105.19 108.80 1fi9 n GLY 34 Ca 0.52 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.34 -7.34 0.99 5.85 -0.88 -3.37 115.31 109.22 1fi9 h LEU 35 Ca 0.00 0.10 -0.50 0.00 0.84 0.00 0.00 57.88 58.32 1fi9 h LEU 35 Cb 0.00 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1fi9 h LEU 35 CO 0.00 -0.69 1.73 0.49 -0.34 0.00 0.00 178.44 179.63 1fi9 n PHE 36 N -5.58 2.68 0.00 1.25 3.72 -1.26 -3.01 117.46 115.25 1fi9 n PHE 36 Ca -0.13 -1.81 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 1fi9 n PHE 36 Cb 0.47 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 1fi9 n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fi9 n GLY 37 N 5.22 0.00 3.81 1.37 0.00 -1.26 -5.00 105.19 109.33 1fi9 n GLY 37 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 1.50 0.53 1.61 3.52 -1.16 -5.09 118.95 119.86 1fi9 s ARG 38 Ca 0.00 -0.90 0.09 0.00 -0.13 0.00 0.00 55.73 54.79 1fi9 s ARG 38 Cb 0.00 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.92 1fi9 s ARG 38 CO 0.00 -0.70 0.69 0.21 -0.81 0.00 0.00 175.30 174.69 1fi9 s LYS 39 N -2.93 2.43 0.01 5.12 2.20 -1.26 -3.33 119.74 121.97 1fi9 s LYS 39 Ca 0.15 -1.58 -0.05 0.00 -0.36 0.00 0.00 55.97 54.13 1fi9 s LYS 39 Cb -0.03 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1fi9 s LYS 39 CO 0.05 -0.68 1.08 1.79 -0.36 0.00 0.00 175.35 177.23 1fi9 h THR 40 N 0.37 0.00 0.00 3.43 1.35 -1.48 -3.31 112.91 113.27 1fi9 h THR 40 Ca -0.33 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.43 1fi9 h THR 40 Cb 1.29 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.67 1fi9 h THR 40 CO 0.44 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 176.22 1fi9 n GLY 41 N -1.09 2.30 2.85 5.82 0.00 -1.26 -4.53 105.19 109.28 1fi9 n GLY 41 Ca -0.02 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 1.34 0.37 0.02 1.61 -1.52 -1.25 -4.94 119.66 115.30 1fi9 s GLN 42 Ca 0.36 0.10 -0.03 0.00 -1.95 0.00 0.00 55.36 53.85 1fi9 s GLN 42 Cb 0.17 -0.48 -0.02 0.00 -0.22 0.00 0.00 33.01 32.46 1fi9 s GLN 42 CO 0.00 -0.96 0.03 0.00 -0.25 0.00 0.00 175.29 174.11 1fi9 s ALA 43 N 2.47 0.04 -0.54 6.09 0.00 -1.26 -4.72 121.76 123.85 1fi9 s ALA 43 Ca 0.10 -0.57 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1fi9 s ALA 43 Cb -0.13 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 1fi9 s ALA 43 CO -0.28 -0.22 1.65 -1.25 0.00 0.00 0.00 175.76 175.65 1fi9 s PRO 44 N -1.96 3.06 -1.15 0.00 0.04 -1.26 -4.18 135.00 129.55 1fi9 s PRO 44 Ca -0.11 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.41 1fi9 s PRO 44 Cb -0.06 -4.24 -0.01 0.00 0.04 0.00 0.00 34.50 30.24 1fi9 s PRO 44 CO -0.02 -2.22 0.77 0.41 0.04 0.00 0.00 177.00 175.99 1fi9 n GLY 45 N 5.45 -0.94 1.54 0.56 0.00 -1.26 -4.89 105.19 105.66 1fi9 n GLY 45 Ca 0.17 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1fi9 n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fi9 n PHE 46 N -4.22 -1.09 -0.43 1.61 7.35 -1.26 -5.12 117.46 114.31 1fi9 n PHE 46 Ca -0.11 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1fi9 n PHE 46 Cb 0.60 0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.73 1fi9 n PHE 46 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1fi9 n THR 47 N -3.33 -2.24 -2.85 -2.13 -1.04 -1.26 -5.10 114.28 96.33 1fi9 n THR 47 Ca 0.00 0.20 -0.21 0.00 -2.04 0.00 0.00 64.05 62.01 1fi9 n THR 47 Cb 0.05 -1.85 0.07 0.00 -1.82 0.00 0.00 70.33 66.78 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1fi9 s TYR 48 N -0.40 1.72 0.57 -1.42 2.02 -1.26 -5.11 117.35 113.46 1fi9 s TYR 48 Ca 0.00 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1fi9 s TYR 48 Cb 0.00 -2.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1fi9 s TYR 48 CO 0.00 -1.25 0.85 0.95 -1.57 0.00 0.00 175.55 174.54 1fi9 s THR 49 N -2.80 3.58 -0.48 -0.71 -4.23 -1.26 -4.95 115.64 104.79 1fi9 s THR 49 Ca 0.62 -0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1fi9 s THR 49 Cb -0.06 -3.40 -0.14 0.00 1.34 0.00 0.00 72.50 70.23 1fi9 s THR 49 CO 0.40 -0.38 2.61 0.47 -0.54 0.00 0.00 174.62 177.18 1fi9 n ASP 50 N -2.49 4.79 0.00 3.99 9.92 -1.26 -2.83 116.55 128.68 1fi9 n ASP 50 Ca 0.04 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 1fi9 n ASP 50 Cb 0.58 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fi9 n ALA 51 N 3.19 0.00 0.18 2.24 0.00 -1.26 -4.86 120.51 120.00 1fi9 n ALA 51 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 1fi9 n ALA 51 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.33 -0.06 0.00 -1.24 -1.92 -2.16 115.58 109.88 1fi9 h ASN 52 Ca 0.00 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1fi9 h ASN 52 Cb 0.00 0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 1fi9 h ASN 52 CO 0.00 -0.23 0.02 0.50 -1.29 0.00 0.00 177.43 176.42 1fi9 h LYS 53 N -0.40 0.09 -0.23 6.67 3.64 -1.87 -2.85 116.57 121.63 1fi9 h LYS 53 Ca -0.04 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1fi9 h LYS 53 Cb 0.30 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1fi9 h LYS 53 CO 0.07 0.26 0.43 -0.97 -2.27 0.00 0.00 179.45 176.97 1fi9 h ASN 54 N -0.09 0.00 -0.50 4.20 -0.73 -1.79 -0.71 115.58 115.95 1fi9 h ASN 54 Ca 0.02 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.20 1fi9 h ASN 54 Cb 0.21 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1fi9 h ASN 54 CO -0.00 0.00 0.31 0.50 -0.37 0.00 0.00 177.43 177.87 1fi9 h LYS 55 N 0.00 0.61 -6.03 6.67 1.63 -1.13 -3.48 116.57 114.84 1fi9 h LYS 55 Ca 0.11 -0.04 -0.41 0.00 -0.85 0.00 0.00 60.65 59.46 1fi9 h LYS 55 Cb 0.98 -0.14 0.07 0.00 -0.60 0.00 0.00 32.23 32.54 1fi9 h LYS 55 CO -0.00 0.41 -0.80 0.41 -3.45 0.00 0.00 179.45 176.02 1fi9 n GLY 56 N -1.24 -0.35 3.58 5.01 0.00 -0.27 -5.02 105.19 106.90 1fi9 n GLY 56 Ca 0.03 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.53 3.25 0.53 -0.61 -4.36 -1.26 -4.94 121.20 110.27 1fi9 s ILE 57 Ca 0.15 -1.64 -0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1fi9 s ILE 57 Cb -0.07 -2.61 0.11 0.00 1.25 0.00 0.00 42.46 41.14 1fi9 s ILE 57 CO 0.79 -0.11 0.72 0.35 0.24 0.00 0.00 174.94 176.94 1fi9 n THR 58 N 0.01 0.00 -4.28 8.37 -2.24 -1.26 -1.27 114.28 113.61 1fi9 n THR 58 Ca -0.11 -0.79 -0.23 0.00 -2.27 0.00 0.00 64.05 60.66 1fi9 n THR 58 Cb 0.55 -1.39 -0.17 0.00 -2.10 0.00 0.00 70.33 67.23 1fi9 n THR 58 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1fi9 s TRP 59 N -2.32 1.09 0.30 4.78 0.52 -1.21 -4.84 118.94 117.26 1fi9 s TRP 59 Ca 0.44 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.17 1fi9 s TRP 59 Cb -0.02 -0.88 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1fi9 s TRP 59 CO 0.30 -0.26 0.00 0.36 0.02 0.00 0.00 176.95 177.37 1fi9 n LYS 60 N 4.09 0.00 0.00 4.98 2.85 -1.26 -4.12 118.16 124.71 1fi9 n LYS 60 Ca -0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 1fi9 n LYS 60 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 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 -3.42 0.00 0.04 -1.58 0.28 -1.26 -5.02 120.64 109.68 1fi9 n GLU 61 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1fi9 n GLU 61 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1fi9 n GLU 61 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1fi9 h GLU 62 N 0.00 -0.21 -0.17 3.44 4.81 -1.99 0.22 114.58 120.68 1fi9 h GLU 62 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1fi9 h GLU 62 Cb 0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1fi9 h GLU 62 CO 0.00 -0.14 0.11 1.15 -0.73 0.00 0.00 179.01 179.40 1fi9 h THR 63 N -0.22 1.06 -0.41 0.32 2.02 -1.96 -3.02 112.91 110.70 1fi9 h THR 63 Ca -0.00 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.12 1fi9 h THR 63 Cb 0.22 0.85 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 1fi9 h THR 63 CO -0.07 0.06 -0.16 0.25 0.37 0.00 0.00 175.52 175.96 1fi9 h LEU 64 N 0.21 -0.57 -0.86 2.58 6.46 -1.85 0.14 115.31 121.43 1fi9 h LEU 64 Ca 0.06 0.14 0.16 0.00 -0.12 0.00 0.00 57.88 58.13 1fi9 h LEU 64 Cb 0.01 0.33 -0.16 0.00 -0.73 0.00 0.00 40.66 40.10 1fi9 h LEU 64 CO -0.01 -0.20 -0.26 0.24 -0.62 0.00 0.00 178.44 177.59 1fi9 h MET 65 N -0.08 -0.02 -0.02 1.25 2.86 -0.43 0.63 114.93 119.12 1fi9 h MET 65 Ca 0.20 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1fi9 h MET 65 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1fi9 h MET 65 CO -0.46 -0.01 -0.04 0.93 1.06 0.00 0.00 176.91 178.38 1fi9 h GLU 66 N -0.02 0.06 -0.83 1.72 5.08 -1.15 -3.03 114.58 116.41 1fi9 h GLU 66 Ca 0.38 -0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.90 1fi9 h GLU 66 Cb 0.62 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 1fi9 h GLU 66 CO -0.89 0.64 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.80 1fi9 h TYR 67 N -0.52 -0.15 -0.51 4.33 5.03 0.54 0.42 116.97 126.12 1fi9 h TYR 67 Ca -0.00 0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.28 1fi9 h TYR 67 Cb 0.64 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 1fi9 h TYR 67 CO 0.13 -0.31 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.55 1fi9 h LEU 68 N 0.06 0.87 -3.89 2.82 3.38 -1.02 -2.79 115.31 114.74 1fi9 h LEU 68 Ca 0.45 -0.24 -0.43 0.00 0.09 0.00 0.00 57.88 57.75 1fi9 h LEU 68 Cb 0.81 -0.23 -0.25 0.00 0.09 0.00 0.00 40.66 41.07 1fi9 h LEU 68 CO -0.77 0.96 0.54 1.21 0.09 0.00 0.00 178.44 180.46 1fi9 n GLU 69 N -4.18 2.66 0.00 1.13 0.00 0.12 -3.11 120.64 117.26 1fi9 n GLU 69 Ca 0.02 -2.98 0.00 0.00 0.00 0.00 0.00 57.16 54.21 1fi9 n GLU 69 Cb 0.34 -2.17 0.00 0.00 0.00 0.00 0.00 31.44 29.61 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 -0.83 0.00 -0.06 4.31 3.02 0.34 -4.90 115.26 117.14 1fi9 n ASN 70 Ca 0.54 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.97 1fi9 n ASN 70 Cb 1.58 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.70 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 0.32 -2.12 3.52 0.13 -1.70 -3.04 132.00 129.11 1fi9 h PRO 71 Ca 0.00 -0.10 -0.22 0.00 -0.87 0.00 0.00 66.00 64.81 1fi9 h PRO 71 Cb 0.00 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.04 1fi9 h PRO 71 CO 0.00 0.51 -0.01 0.36 -0.23 0.00 0.00 178.00 178.64 1fi9 n LYS 72 N -4.73 2.08 0.04 0.86 0.00 -1.26 -3.53 118.16 111.62 1fi9 n LYS 72 Ca -0.05 -1.07 0.00 0.00 -0.00 0.00 0.00 58.31 57.19 1fi9 n LYS 72 Cb 0.21 -2.05 0.00 0.00 -0.00 0.00 0.00 35.03 33.19 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 2.61 0.00 0.18 -1.58 0.00 -1.15 -4.81 118.16 113.41 1fi9 n LYS 73 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.65 1fi9 n LYS 73 Cb 0.83 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.81 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1fi9 h TYR 74 N 0.00 -0.49 -2.97 5.64 0.05 -1.64 -3.41 116.97 114.15 1fi9 h TYR 74 Ca 0.00 -0.01 -0.63 0.00 0.05 0.00 0.00 58.73 58.14 1fi9 h TYR 74 Cb 0.00 0.16 -0.41 0.00 1.01 0.00 0.00 36.73 37.49 1fi9 h TYR 74 CO 0.00 -0.22 -0.51 0.44 -1.05 0.00 0.00 178.16 176.82 1fi9 n ILE 75 N -5.14 1.96 -1.07 -2.88 -5.35 -1.24 -4.99 119.36 100.65 1fi9 n ILE 75 Ca -0.08 -4.97 -0.32 0.00 -0.27 0.00 0.00 62.75 57.11 1fi9 n ILE 75 Cb 0.25 -2.20 -0.02 0.00 -1.74 0.00 0.00 39.64 35.93 1fi9 n ILE 75 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1fi9 n PRO 76 N 1.81 2.74 0.00 6.28 -0.04 -1.26 -3.09 135.00 141.43 1fi9 n PRO 76 Ca 0.22 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1fi9 n PRO 76 Cb 0.36 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.77 0.00 1.34 0.55 0.00 -1.26 -5.08 105.19 104.52 1fi9 n GLY 77 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.75 2.61 -1.04 -1.18 -4.97 114.28 106.96 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 -0.29 0.02 0.00 -1.82 0.00 0.00 70.33 68.23 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 -0.80 0.80 0.26 -2.82 -2.85 -1.26 -5.02 119.74 108.05 1fi9 s LYS 79 Ca 0.00 -0.78 -0.02 0.00 -1.00 0.00 0.00 55.97 54.18 1fi9 s LYS 79 Cb 0.00 -0.03 0.50 0.00 -2.06 0.00 0.00 37.83 36.24 1fi9 s LYS 79 CO 0.00 -0.99 1.78 0.00 0.10 0.00 0.00 175.35 176.23 1fi9 h MET 80 N 4.82 0.65 0.00 1.78 -0.00 -1.89 -3.45 114.93 116.84 1fi9 h MET 80 Ca 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1fi9 h MET 80 Cb 1.13 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 1fi9 h MET 80 CO -0.02 0.43 0.00 0.44 -0.00 0.00 0.00 176.91 177.76 1fi9 n ILE 81 N -4.83 0.00 -0.58 -0.10 -5.35 -1.26 -4.44 119.36 102.79 1fi9 n ILE 81 Ca 0.16 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.34 1fi9 n ILE 81 Cb 0.40 0.00 0.21 0.00 -1.74 0.00 0.00 39.64 38.51 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 -1.16 -0.31 4.28 -1.74 -1.26 -4.90 117.46 112.37 1fi9 n PHE 82 Ca 0.00 0.02 -0.05 0.00 -0.56 0.00 0.00 57.45 56.86 1fi9 n PHE 82 Cb 0.00 -1.69 -0.01 0.00 1.52 0.00 0.00 39.48 39.31 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 h ALA 83 N -2.34 -0.11 0.00 1.98 0.00 -2.00 -3.48 119.26 113.32 1fi9 h ALA 83 Ca -0.56 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1fi9 h ALA 83 Cb 1.33 1.01 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1fi9 h ALA 83 CO 0.44 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1fi9 n GLY 84 N -1.42 0.27 3.63 0.00 0.00 -1.26 -4.66 105.19 101.76 1fi9 n GLY 84 Ca 0.06 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 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 0.13 -0.23 -0.61 2.08 -1.18 -4.90 119.36 123.64 1fi9 n ILE 85 Ca 0.00 -0.04 0.01 0.00 0.56 0.00 0.00 62.75 63.28 1fi9 n ILE 85 Cb 0.00 -0.95 0.13 0.00 -0.75 0.00 0.00 39.64 38.06 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1fi9 h LYS 86 N -1.79 0.53 0.00 0.38 1.57 -1.96 -3.47 116.57 111.82 1fi9 h LYS 86 Ca -0.43 -0.03 0.28 0.00 -1.87 0.00 0.00 60.65 58.60 1fi9 h LYS 86 Cb 1.27 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1fi9 h LYS 86 CO 0.40 0.35 0.69 0.36 -0.57 0.00 0.00 179.45 180.68 1fi9 n LYS 87 N -4.90 0.02 -0.23 3.15 2.85 -1.26 -5.02 118.16 112.76 1fi9 n LYS 87 Ca 0.10 -0.36 -0.01 0.00 -1.05 0.00 0.00 58.31 56.98 1fi9 n LYS 87 Cb 0.27 0.70 0.19 0.00 -0.65 0.00 0.00 35.03 35.55 1fi9 n LYS 87 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1fi9 h LYS 88 N 0.00 1.03 -0.27 -1.58 2.10 -1.96 -1.86 116.57 114.02 1fi9 h LYS 88 Ca -0.13 -0.11 0.07 0.00 -2.00 0.00 0.00 60.65 58.48 1fi9 h LYS 88 Cb 0.80 -0.21 -0.07 0.00 -0.90 0.00 0.00 32.23 31.85 1fi9 h LYS 88 CO 0.20 0.75 -0.24 1.15 -2.00 0.00 0.00 179.45 179.31 1fi9 h THR 89 N 1.04 0.39 0.49 0.07 2.02 -1.99 -0.65 112.91 114.29 1fi9 h THR 89 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1fi9 h THR 89 Cb 0.01 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1fi9 h THR 89 CO -0.04 0.00 -0.24 -0.33 0.37 0.00 0.00 175.52 175.28 1fi9 h GLU 90 N -0.23 -0.64 -0.69 6.66 3.07 -1.75 -1.23 114.58 119.78 1fi9 h GLU 90 Ca 0.15 0.04 0.11 0.00 -0.50 0.00 0.00 59.36 59.16 1fi9 h GLU 90 Cb 0.45 0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 28.43 1fi9 h GLU 90 CO -0.40 -0.37 0.30 0.07 -1.40 0.00 0.00 179.01 177.21 1fi9 h ARG 91 N -0.79 0.48 -0.30 2.33 0.11 -1.41 0.16 114.38 114.97 1fi9 h ARG 91 Ca -0.07 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.03 1fi9 h ARG 91 Cb 0.57 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.49 1fi9 h ARG 91 CO 0.11 0.32 0.02 1.49 0.10 0.00 0.00 179.97 182.01 1fi9 h GLU 92 N 0.49 0.11 -0.33 0.08 4.81 -0.87 0.76 114.58 119.63 1fi9 h GLU 92 Ca 0.35 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1fi9 h GLU 92 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1fi9 h GLU 92 CO -0.32 0.08 0.21 -0.44 -0.73 0.00 0.00 179.01 177.81 1fi9 h ASP 93 N 0.12 0.36 -0.45 1.04 3.32 -0.51 -2.91 116.42 117.38 1fi9 h ASP 93 Ca 0.14 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.28 1fi9 h ASP 93 Cb 0.17 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.55 1fi9 h ASP 93 CO -0.22 0.26 -0.14 0.25 -1.72 0.00 0.00 179.24 177.67 1fi9 h LEU 94 N 0.43 -0.50 -0.95 1.55 6.46 0.30 0.91 115.31 123.52 1fi9 h LEU 94 Ca 0.12 0.15 0.21 0.00 -0.12 0.00 0.00 57.88 58.24 1fi9 h LEU 94 Cb -0.03 0.31 -0.12 0.00 -0.73 0.00 0.00 40.66 40.09 1fi9 h LEU 94 CO -0.04 -0.18 0.51 0.40 -0.62 0.00 0.00 178.44 178.52 1fi9 h ILE 95 N -0.03 0.59 -0.20 4.05 5.03 -0.70 -0.62 117.51 125.63 1fi9 h ILE 95 Ca 0.22 -0.20 0.03 0.00 -0.12 0.00 0.00 64.86 64.79 1fi9 h ILE 95 Cb 0.37 -0.04 -0.03 0.00 -3.03 0.00 0.00 36.82 34.09 1fi9 h ILE 95 CO -0.49 0.11 0.01 0.00 -0.68 0.00 0.00 178.15 177.10 1fi9 h ALA 96 N 1.68 0.18 0.85 1.87 0.00 -0.69 0.31 119.26 123.47 1fi9 h ALA 96 Ca 0.58 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1fi9 h ALA 96 Cb 1.01 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1fi9 h ALA 96 CO -0.45 -0.42 -0.41 -0.92 0.00 0.00 0.00 179.25 177.05 1fi9 h TYR 97 N 0.08 -1.06 -0.92 0.00 3.20 -1.16 -2.99 116.97 114.13 1fi9 h TYR 97 Ca 0.09 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.20 1fi9 h TYR 97 Cb 0.11 0.35 -0.15 0.00 1.54 0.00 0.00 36.73 38.58 1fi9 h TYR 97 CO -0.17 -0.66 0.30 -0.07 -1.64 0.00 0.00 178.16 175.92 1fi9 h LEU 98 N -1.16 0.07 -0.13 2.82 4.07 -0.86 0.17 115.31 120.30 1fi9 h LEU 98 Ca -0.12 0.21 0.04 0.00 0.08 0.00 0.00 57.88 58.09 1fi9 h LEU 98 Cb 0.88 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 42.81 1fi9 h LEU 98 CO 0.19 -0.19 -0.43 0.11 -1.08 0.00 0.00 178.44 177.05 1fi9 h LYS 99 N 0.20 -0.48 0.05 1.13 1.57 -0.22 0.17 116.57 118.97 1fi9 h LYS 99 Ca 0.61 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1fi9 h LYS 99 Cb 1.29 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1fi9 h LYS 99 CO -0.68 -0.32 -0.02 -0.22 -0.57 0.00 0.00 179.45 177.64 1fi9 h LYS 100 N -0.50 -0.06 -0.60 3.15 1.63 -1.26 -3.08 116.57 115.85 1fi9 h LYS 100 Ca 0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1fi9 h LYS 100 Cb 0.63 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 1fi9 h LYS 100 CO -0.40 0.21 0.35 0.00 -3.45 0.00 0.00 179.45 176.16 1fi9 h ALA 101 N 0.60 1.49 0.16 5.00 0.00 0.16 0.30 119.26 126.97 1fi9 h ALA 101 Ca -0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 1fi9 h ALA 101 Cb 0.30 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1fi9 h ALA 101 CO 0.01 0.44 -1.31 1.79 0.00 0.00 0.00 179.25 180.18 1fi9 h THR 102 N 0.83 1.44 -0.20 0.00 1.35 -0.82 -3.29 112.91 112.21 1fi9 h THR 102 Ca 0.22 -2.96 -0.02 0.00 -0.55 0.00 0.00 66.41 63.09 1fi9 h THR 102 Cb -0.01 2.97 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 1fi9 h THR 102 CO -0.04 0.87 0.05 -1.13 -0.25 0.00 0.00 175.52 175.03 1fi9 h ASN 103 N 0.09 0.30 0.00 5.36 -0.73 -1.21 -3.02 115.58 116.37 1fi9 h ASN 103 Ca -0.17 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.78 1fi9 h ASN 103 Cb 2.03 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 40.54 1fi9 h ASN 103 CO 0.22 0.44 0.00 -0.62 -0.37 0.00 0.00 177.43 177.11