#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 6.76 0.20 1.61 2.15 -1.26 -4.68 116.67 121.45 1fi9 s ASP 2 Ca 0.00 2.17 -0.09 0.00 0.43 0.00 0.00 52.55 55.06 1fi9 s ASP 2 Cb 0.00 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.19 1fi9 s ASP 2 CO 0.00 -0.82 1.74 0.58 -0.17 0.00 0.00 175.17 176.50 1fi9 h VAL 3 N 5.19 1.26 0.71 1.11 2.07 -1.85 0.19 116.25 124.93 1fi9 h VAL 3 Ca -0.38 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1fi9 h VAL 3 Cb 1.17 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1fi9 h VAL 3 CO 0.93 0.34 -0.34 -0.33 0.02 0.00 0.00 177.57 178.19 1fi9 h GLU 4 N 1.05 -0.92 -1.01 1.57 4.39 -1.92 0.91 114.58 118.65 1fi9 h GLU 4 Ca 0.23 0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.06 1fi9 h GLU 4 Cb 0.28 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 1fi9 h GLU 4 CO -0.01 -0.61 0.65 0.87 -1.16 0.00 0.00 179.01 178.75 1fi9 h LYS 5 N -1.18 1.15 -0.65 2.33 1.57 -1.92 -0.90 116.57 116.96 1fi9 h LYS 5 Ca -0.10 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1fi9 h LYS 5 Cb 0.73 -0.26 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1fi9 h LYS 5 CO 0.16 0.76 0.21 0.78 -0.57 0.00 0.00 179.45 180.79 1fi9 h GLY 6 N 1.18 0.91 0.83 3.86 0.00 -0.43 0.34 103.07 109.75 1fi9 h GLY 6 Ca 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1fi9 h GLY 6 CO -0.17 -0.09 -0.31 1.70 0.00 0.00 0.00 176.54 177.68 1fi9 h LYS 7 N 0.35 -0.72 -0.68 4.80 3.64 0.50 -0.61 116.57 123.85 1fi9 h LYS 7 Ca 0.35 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1fi9 h LYS 7 Cb 0.50 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1fi9 h LYS 7 CO -0.38 -0.48 0.15 0.87 -2.27 0.00 0.00 179.45 177.34 1fi9 h LYS 8 N -0.74 1.10 0.25 1.90 1.79 -0.58 -1.26 116.57 119.02 1fi9 h LYS 8 Ca -0.05 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.15 1fi9 h LYS 8 Cb 0.62 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 1fi9 h LYS 8 CO 0.03 0.99 -0.42 0.82 -1.08 0.00 0.00 179.45 179.80 1fi9 h ILE 9 N 1.03 0.16 -0.68 1.86 2.04 -0.20 0.40 117.51 122.11 1fi9 h ILE 9 Ca 0.21 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.22 1fi9 h ILE 9 Cb 0.40 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.53 1fi9 h ILE 9 CO 0.01 0.00 0.03 0.15 0.00 0.00 0.00 178.15 178.34 1fi9 h PHE 10 N -0.73 0.00 0.00 1.37 3.57 -0.81 0.20 116.94 120.54 1fi9 h PHE 10 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1fi9 h PHE 10 Cb 0.71 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1fi9 h PHE 10 CO -0.30 -0.18 0.00 0.28 -2.23 0.00 0.00 178.31 175.88 1fi9 h VAL 11 N 0.14 0.00 -0.02 1.41 2.07 -0.12 0.24 116.25 119.96 1fi9 h VAL 11 Ca 0.37 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1fi9 h VAL 11 Cb 0.62 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1fi9 h VAL 11 CO -0.57 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.00 1fi9 n GLN 12 N -2.98 1.36 0.00 1.57 1.13 0.13 -4.40 117.38 114.19 1fi9 n GLN 12 Ca 0.01 -1.47 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 1fi9 n GLN 12 Cb 0.30 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.33 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 0.90 0.00 0.00 -1.09 4.01 0.46 -5.01 118.16 117.43 1fi9 n LYS 13 Ca 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 1fi9 n LYS 13 Cb 0.42 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 34.29 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 -2.37 0.00 -0.48 0.00 0.00 -0.62 -3.95 120.51 113.09 1fi9 n ALA 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1fi9 n ALA 15 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1fi9 n ALA 15 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1fi9 n GLN 16 N 0.00 0.97 0.00 0.00 7.27 -1.26 -2.87 117.38 121.49 1fi9 n GLN 16 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1fi9 n GLN 16 Cb 0.00 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 31.50 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1fi9 s HIS 18 N -1.00 1.29 -0.16 0.00 3.76 -1.14 -2.66 115.29 115.38 1fi9 s HIS 18 Ca 0.00 -0.66 -0.04 0.00 -0.15 0.00 0.00 55.06 54.21 1fi9 s HIS 18 Cb 0.00 -0.66 -0.09 0.00 1.11 0.00 0.00 32.58 32.94 1fi9 s HIS 18 CO 0.00 0.10 -0.18 2.41 -0.85 0.00 0.00 174.74 176.22 1fi9 n THR 19 N 0.19 0.91 -2.42 1.30 -1.04 -1.26 -4.28 114.28 107.68 1fi9 n THR 19 Ca -0.13 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.05 61.39 1fi9 n THR 19 Cb 0.59 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.67 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 -3.39 -1.02 -3.43 12.58 0.24 -1.26 -4.89 118.33 117.16 1fi9 n VAL 20 Ca -0.30 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 1fi9 n VAL 20 Cb 0.76 -2.93 -0.02 0.00 -1.47 0.00 0.00 33.84 30.18 1fi9 n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1fi9 s GLU 21 N -5.04 1.28 0.82 7.34 2.56 -1.26 -3.20 118.70 121.20 1fi9 s GLU 21 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 54.97 54.37 1fi9 s GLU 21 Cb -0.01 0.59 0.07 0.00 2.00 0.00 0.00 34.13 36.78 1fi9 s GLU 21 CO 0.02 -0.56 1.07 0.36 -0.56 0.00 0.00 175.26 175.59 1fi9 n LYS 22 N -0.38 0.11 -1.01 4.30 2.85 -1.26 -2.71 118.16 120.06 1fi9 n LYS 22 Ca -0.16 0.11 -0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1fi9 n LYS 22 Cb 0.65 -2.33 -0.00 0.00 -0.65 0.00 0.00 35.03 32.70 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fi9 n GLY 23 N 0.71 0.23 3.65 2.58 0.00 -1.26 -4.95 105.19 106.16 1fi9 n GLY 23 Ca 0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1fi9 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fi9 s GLY 24 N -2.02 1.46 0.45 -0.02 0.00 -1.10 -4.96 107.32 101.12 1fi9 s GLY 24 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 44.72 45.41 1fi9 s GLY 24 CO 0.00 3.10 1.05 0.54 0.00 0.00 0.00 173.10 177.79 1fi9 s LYS 25 N 4.22 3.96 -0.93 2.90 1.02 -1.26 -4.54 119.74 125.12 1fi9 s LYS 25 Ca 0.75 1.45 -0.17 0.00 0.02 0.00 0.00 55.97 58.02 1fi9 s LYS 25 Cb -0.33 -2.31 0.16 0.00 -0.52 0.00 0.00 37.83 34.83 1fi9 s LYS 25 CO 0.31 -0.31 1.07 -1.01 -0.92 0.00 0.00 175.35 174.49 1fi9 s HIS 26 N -1.82 3.33 0.00 3.18 3.76 -1.26 -4.53 115.29 117.94 1fi9 s HIS 26 Ca 0.63 -1.62 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 1fi9 s HIS 26 Cb -0.19 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.33 1fi9 s HIS 26 CO 0.24 -1.35 0.00 1.63 -0.85 0.00 0.00 174.74 174.40 1fi9 n LYS 27 N 5.80 0.00 -0.08 1.40 5.02 -1.26 -5.00 118.16 124.03 1fi9 n LYS 27 Ca 0.23 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.36 1fi9 n LYS 27 Cb 0.48 -0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.43 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fi9 n THR 28 N -0.02 0.89 -3.97 -0.18 -1.04 -1.26 -4.99 114.28 103.71 1fi9 n THR 28 Ca 0.00 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 1fi9 n THR 28 Cb 0.00 -1.55 -0.05 0.00 -1.82 0.00 0.00 70.33 66.91 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 -5.34 2.13 0.75 3.41 0.00 -1.09 -5.09 107.32 102.09 1fi9 s GLY 29 Ca -0.22 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 1fi9 s GLY 29 CO 0.30 -0.86 1.09 2.56 0.00 0.00 0.00 173.10 176.20 1fi9 s PRO 30 N -2.39 2.41 -0.24 2.90 0.04 -1.26 -4.65 135.00 131.81 1fi9 s PRO 30 Ca 0.32 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.27 1fi9 s PRO 30 Cb -0.13 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1fi9 s PRO 30 CO 0.25 -1.53 2.06 0.54 0.04 0.00 0.00 177.00 178.36 1fi9 s ASN 31 N -3.27 5.66 0.00 6.66 4.22 -1.26 -4.45 114.94 122.50 1fi9 s ASN 31 Ca 0.62 1.75 -0.03 0.00 -2.14 0.00 0.00 52.86 53.05 1fi9 s ASN 31 Cb -0.17 -2.52 -0.14 0.00 1.28 0.00 0.00 41.25 39.70 1fi9 s ASN 31 CO 0.53 -1.82 2.79 0.18 -2.04 0.00 0.00 177.10 176.74 1fi9 n LEU 32 N 10.98 5.07 -4.51 3.54 4.77 -1.26 -4.77 117.00 130.81 1fi9 n LEU 32 Ca 0.27 -2.73 -0.42 0.00 -0.03 0.00 0.00 56.01 53.10 1fi9 n LEU 32 Cb 0.45 -1.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1fi9 n LEU 32 CO 0.67 1.32 1.05 -2.28 -1.33 0.00 0.00 177.39 176.82 1fi9 s HIS 33 N 0.63 2.50 0.00 -1.77 2.46 -1.26 -2.40 115.29 115.46 1fi9 s HIS 33 Ca 0.35 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.48 1fi9 s HIS 33 Cb 0.17 -4.50 0.00 0.00 -0.13 0.00 0.00 32.58 28.12 1fi9 s HIS 33 CO 0.00 -1.87 0.00 0.41 -2.47 0.00 0.00 174.74 170.81 1fi9 n GLY 34 N 5.55 1.31 0.31 1.59 0.00 -0.47 -5.00 105.19 108.48 1fi9 n GLY 34 Ca 0.06 -0.33 -0.01 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 -0.90 -7.35 0.99 5.85 -1.74 -3.30 115.31 108.87 1fi9 h LEU 35 Ca 0.00 0.23 -0.52 0.00 0.84 0.00 0.00 57.88 58.43 1fi9 h LEU 35 Cb 0.38 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1fi9 h LEU 35 CO 0.00 -0.27 1.81 0.49 -0.34 0.00 0.00 178.44 180.14 1fi9 n PHE 36 N -5.47 2.90 0.00 1.25 3.01 -1.26 -3.32 117.46 114.56 1fi9 n PHE 36 Ca 0.08 -1.94 0.00 0.00 1.01 0.00 0.00 57.45 56.60 1fi9 n PHE 36 Cb 0.37 -2.36 0.00 0.00 -0.01 0.00 0.00 39.48 37.49 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 5.20 0.00 3.50 1.37 0.00 -1.24 -4.99 105.19 109.03 1fi9 n GLY 37 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 0.94 0.83 1.61 3.52 -1.21 -5.10 118.95 119.54 1fi9 s ARG 38 Ca 0.00 -0.13 -0.12 0.00 -0.13 0.00 0.00 55.73 55.35 1fi9 s ARG 38 Cb 0.00 0.44 0.09 0.00 -1.56 0.00 0.00 34.95 33.92 1fi9 s ARG 38 CO 0.00 -0.37 1.17 0.15 -0.81 0.00 0.00 175.30 175.44 1fi9 s LYS 39 N -2.44 1.79 0.03 5.12 1.02 -1.26 -3.81 119.74 120.19 1fi9 s LYS 39 Ca -0.01 0.17 -0.24 0.00 0.02 0.00 0.00 55.97 55.91 1fi9 s LYS 39 Cb -0.01 -1.92 -0.13 0.00 -0.52 0.00 0.00 37.83 35.25 1fi9 s LYS 39 CO -0.04 -1.73 1.23 1.79 -0.92 0.00 0.00 175.35 175.69 1fi9 h THR 40 N -1.16 0.00 0.00 2.17 1.35 -1.64 -3.25 112.91 110.38 1fi9 h THR 40 Ca -0.47 -0.09 -0.23 0.00 -0.55 0.00 0.00 66.41 65.07 1fi9 h THR 40 Cb 1.33 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.71 1fi9 h THR 40 CO 0.65 0.00 0.43 0.61 -0.25 0.00 0.00 175.52 176.96 1fi9 n GLY 41 N -1.07 2.86 2.76 5.82 0.00 -1.24 -3.93 105.19 110.39 1fi9 n GLY 41 Ca -0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 2.82 1.47 -1.76 1.61 6.02 -1.23 -4.90 117.38 121.40 1fi9 n GLN 42 Ca 0.41 -3.27 -0.37 0.00 -0.01 0.00 0.00 57.00 53.76 1fi9 n GLN 42 Cb 0.65 -1.34 0.06 0.00 1.02 0.00 0.00 30.24 30.64 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 -3.28 2.42 -1.16 -1.58 0.00 -1.25 -4.86 121.76 112.06 1fi9 s ALA 43 Ca 0.26 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 1fi9 s ALA 43 Cb 0.38 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1fi9 s ALA 43 CO -0.01 -1.56 2.06 -0.35 0.00 0.00 0.00 175.76 175.89 1fi9 n PRO 44 N -1.82 2.27 0.00 0.00 -0.04 -1.26 -4.51 135.00 129.64 1fi9 n PRO 44 Ca 0.15 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1fi9 n PRO 44 Cb 0.48 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 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 4.46 1.25 2.24 0.55 0.00 -1.26 -4.95 105.19 107.47 1fi9 n GLY 45 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -0.20 -1.54 1.61 -0.00 -1.26 -4.68 117.46 111.38 1fi9 n PHE 46 Ca 0.00 0.64 -0.33 0.00 -0.00 0.00 0.00 57.45 57.77 1fi9 n PHE 46 Cb 0.00 -1.30 -0.05 0.00 -0.00 0.00 0.00 39.48 38.13 1fi9 n PHE 46 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1fi9 n THR 47 N 0.16 -0.06 -3.40 -2.13 -2.24 -1.26 -4.83 114.28 100.51 1fi9 n THR 47 Ca 0.12 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 1fi9 n THR 47 Cb 0.15 -2.38 -0.05 0.00 -2.10 0.00 0.00 70.33 65.94 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1fi9 s TYR 48 N 12.06 3.47 0.30 4.78 -0.85 -1.26 -5.10 117.35 130.75 1fi9 s TYR 48 Ca 1.02 0.93 0.06 0.00 -0.52 0.00 0.00 57.07 58.56 1fi9 s TYR 48 Cb -0.30 -2.29 -0.02 0.00 0.38 0.00 0.00 41.96 39.73 1fi9 s TYR 48 CO 0.27 0.31 0.43 0.95 -1.52 0.00 0.00 175.55 175.99 1fi9 s THR 49 N -1.73 4.55 0.08 -3.49 -4.23 -1.26 -5.04 115.64 104.53 1fi9 s THR 49 Ca 0.45 -0.97 -0.27 0.00 -1.18 0.00 0.00 61.69 59.72 1fi9 s THR 49 Cb -0.12 -3.59 -0.16 0.00 1.34 0.00 0.00 72.50 69.96 1fi9 s THR 49 CO 0.20 -0.23 1.69 -2.24 -0.54 0.00 0.00 174.62 173.50 1fi9 h ASP 50 N 0.99 -0.28 -0.63 3.99 2.03 -2.00 -3.11 116.42 117.41 1fi9 h ASP 50 Ca -0.48 0.01 0.09 0.00 -0.73 0.00 0.00 57.03 55.91 1fi9 h ASP 50 Cb 1.25 0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 39.75 1fi9 h ASP 50 CO 0.56 -0.20 0.28 0.00 -1.03 0.00 0.00 179.24 178.86 1fi9 h ALA 51 N 0.42 0.84 -0.61 4.15 0.00 -1.96 0.22 119.26 122.32 1fi9 h ALA 51 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fi9 h ALA 51 Cb 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1fi9 h ALA 51 CO 0.06 -0.12 0.36 -0.97 0.00 0.00 0.00 179.25 178.58 1fi9 h ASN 52 N 0.50 0.57 -0.17 0.00 -1.24 -1.95 -1.90 115.58 111.40 1fi9 h ASN 52 Ca 0.31 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.33 1fi9 h ASN 52 Cb 0.33 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1fi9 h ASN 52 CO -0.27 0.39 0.10 0.50 -1.29 0.00 0.00 177.43 176.86 1fi9 h LYS 53 N 0.70 0.23 -0.35 6.67 3.64 -0.97 -2.87 116.57 123.62 1fi9 h LYS 53 Ca 0.25 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 1fi9 h LYS 53 Cb 0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1fi9 h LYS 53 CO -0.12 0.20 0.41 -0.97 -2.27 0.00 0.00 179.45 176.70 1fi9 h ASN 54 N 0.19 0.00 -0.70 4.20 -0.73 0.07 -1.34 115.58 117.27 1fi9 h ASN 54 Ca 0.06 0.00 0.08 0.00 1.87 0.00 0.00 56.30 58.31 1fi9 h ASN 54 Cb 0.03 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.56 1fi9 h ASN 54 CO -0.01 0.00 0.37 0.50 -0.37 0.00 0.00 177.43 177.91 1fi9 h LYS 55 N 0.00 0.63 -6.08 6.67 3.64 -1.13 -3.47 116.57 116.82 1fi9 h LYS 55 Ca 0.16 -0.04 -0.42 0.00 -1.27 0.00 0.00 60.65 59.09 1fi9 h LYS 55 Cb 0.99 -0.14 0.06 0.00 -0.41 0.00 0.00 32.23 32.72 1fi9 h LYS 55 CO -0.00 0.41 -0.83 0.41 -2.27 0.00 0.00 179.45 177.17 1fi9 n GLY 56 N -1.30 -0.29 3.40 5.01 0.00 -0.51 -4.99 105.19 106.51 1fi9 n GLY 56 Ca 0.10 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.66 0.00 0.23 -0.61 -4.36 -1.26 -5.03 121.20 106.51 1fi9 s ILE 57 Ca 0.01 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1fi9 s ILE 57 Cb -0.00 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.14 1fi9 s ILE 57 CO 0.81 0.00 0.11 1.07 0.24 0.00 0.00 174.94 177.17 1fi9 n THR 58 N -0.57 0.00 -3.91 8.37 5.66 -1.26 -1.84 114.28 120.73 1fi9 n THR 58 Ca 0.03 -0.98 -0.30 0.00 -3.05 0.00 0.00 64.05 59.75 1fi9 n THR 58 Cb 0.62 -0.11 -0.15 0.00 -1.55 0.00 0.00 70.33 69.15 1fi9 n THR 58 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1fi9 s TRP 59 N -1.40 3.00 -0.28 1.09 0.52 -1.25 -4.67 118.94 115.95 1fi9 s TRP 59 Ca 0.08 -2.67 0.20 0.00 0.02 0.00 0.00 56.10 53.73 1fi9 s TRP 59 Cb -0.01 -2.51 0.49 0.00 -1.15 0.00 0.00 33.47 30.29 1fi9 s TRP 59 CO 0.05 -0.88 1.08 0.36 0.02 0.00 0.00 176.95 177.58 1fi9 n LYS 60 N 4.14 1.81 0.00 4.98 2.85 -1.26 -4.11 118.16 126.57 1fi9 n LYS 60 Ca 0.03 -3.54 0.00 0.00 -1.05 0.00 0.00 58.31 53.75 1fi9 n LYS 60 Cb 0.40 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1fi9 n GLU 61 N -0.49 0.00 0.00 -1.58 -0.00 -1.26 -4.78 120.64 112.53 1fi9 n GLU 61 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 1fi9 n GLU 61 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.26 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1fi9 n GLU 62 N 0.00 0.00 -0.24 3.44 1.02 -1.26 0.02 120.64 123.62 1fi9 n GLU 62 Ca 0.00 0.76 0.12 0.00 -0.02 0.00 0.00 57.16 58.02 1fi9 n GLU 62 Cb 0.00 -1.33 0.40 0.00 -0.02 0.00 0.00 31.44 30.49 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1fi9 h THR 63 N 0.00 0.85 -0.45 2.62 2.02 -1.86 -1.20 112.91 114.88 1fi9 h THR 63 Ca 0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1fi9 h THR 63 Cb 0.00 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1fi9 h THR 63 CO 0.00 0.12 0.27 -0.07 0.37 0.00 0.00 175.52 176.21 1fi9 h LEU 64 N 0.65 0.54 -1.23 2.58 3.38 -1.41 0.28 115.31 120.10 1fi9 h LEU 64 Ca 0.42 -0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.53 1fi9 h LEU 64 Cb 0.70 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1fi9 h LEU 64 CO -0.18 0.44 0.61 0.24 0.09 0.00 0.00 178.44 179.64 1fi9 h MET 65 N 0.60 0.59 0.09 1.13 2.86 0.87 0.29 114.93 121.36 1fi9 h MET 65 Ca 0.16 -0.04 -0.28 0.00 -2.06 0.00 0.00 59.70 57.48 1fi9 h MET 65 Cb 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1fi9 h MET 65 CO -0.03 0.39 -1.50 0.93 1.06 0.00 0.00 176.91 177.76 1fi9 h GLU 66 N 0.61 0.19 -0.59 1.72 5.08 -1.36 -3.28 114.58 116.96 1fi9 h GLU 66 Ca 0.54 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1fi9 h GLU 66 Cb 1.04 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1fi9 h GLU 66 CO -0.29 1.15 0.34 -0.92 -1.00 0.00 0.00 179.01 178.29 1fi9 h TYR 67 N -0.38 0.62 0.00 4.33 3.20 -0.01 0.35 116.97 125.08 1fi9 h TYR 67 Ca -0.34 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1fi9 h TYR 67 Cb 1.71 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1fi9 h TYR 67 CO 0.11 0.33 0.00 1.28 -1.64 0.00 0.00 178.16 178.24 1fi9 n LEU 68 N -4.79 0.69 0.10 2.82 4.77 0.05 -0.86 117.00 119.78 1fi9 n LEU 68 Ca 0.06 0.57 -0.16 0.00 -0.03 0.00 0.00 56.01 56.44 1fi9 n LEU 68 Cb 0.11 -0.35 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1fi9 n LEU 68 CO 0.31 -0.17 -0.11 -0.08 -1.33 0.00 0.00 177.39 176.01 1fi9 h GLU 69 N 0.00 0.27 -0.51 3.23 4.22 -1.22 -2.94 114.58 117.63 1fi9 h GLU 69 Ca 0.00 -0.46 0.04 0.00 0.08 0.00 0.00 59.36 59.02 1fi9 h GLU 69 Cb 0.69 0.17 -0.18 0.00 0.50 0.00 0.00 28.75 29.94 1fi9 h GLU 69 CO 0.00 1.20 -0.25 -0.80 -2.18 0.00 0.00 179.01 176.98 1fi9 s ASN 70 N -7.11 -0.78 0.15 1.04 0.01 0.11 -4.50 114.94 103.85 1fi9 s ASN 70 Ca -0.05 -0.48 -0.03 0.00 -0.71 0.00 0.00 52.86 51.59 1fi9 s ASN 70 Cb 0.07 1.01 -0.04 0.00 0.41 0.00 0.00 41.25 42.70 1fi9 s ASN 70 CO 0.88 -0.08 1.35 1.55 -1.51 0.00 0.00 177.10 179.29 1fi9 h PRO 71 N 5.78 0.40 -0.61 -0.60 0.13 -1.18 -3.11 132.00 132.81 1fi9 h PRO 71 Ca 0.00 -0.39 0.11 0.00 -0.87 0.00 0.00 66.00 64.85 1fi9 h PRO 71 Cb 1.20 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1fi9 h PRO 71 CO -0.02 1.05 0.41 1.57 -0.23 0.00 0.00 178.00 180.79 1fi9 h LYS 72 N 0.25 0.34 -0.16 0.86 -0.00 -1.86 -2.30 116.57 113.70 1fi9 h LYS 72 Ca -0.06 -0.02 0.03 0.00 -0.00 0.00 0.00 60.65 60.60 1fi9 h LYS 72 Cb 1.47 -0.08 -0.03 0.00 -0.00 0.00 0.00 32.23 33.60 1fi9 h LYS 72 CO 0.15 0.22 -0.01 0.87 -0.00 0.00 0.00 179.45 180.68 1fi9 h LYS 73 N 0.35 0.03 -0.43 0.07 1.79 -1.94 -2.07 116.57 114.36 1fi9 h LYS 73 Ca 0.29 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.79 1fi9 h LYS 73 Cb 0.66 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.27 1fi9 h LYS 73 CO -0.07 0.02 0.21 1.88 -1.08 0.00 0.00 179.45 180.41 1fi9 h TYR 74 N 0.03 0.39 -2.41 -1.35 0.05 -1.55 -3.40 116.97 108.72 1fi9 h TYR 74 Ca 0.07 0.02 -0.31 0.00 0.05 0.00 0.00 58.73 58.56 1fi9 h TYR 74 Cb 0.10 -0.11 -0.35 0.00 1.01 0.00 0.00 36.73 37.38 1fi9 h TYR 74 CO -0.17 0.19 -0.62 0.96 -1.05 0.00 0.00 178.16 177.48 1fi9 s ILE 75 N -6.15 -0.36 -1.23 -2.88 -4.36 -1.09 -5.06 121.20 100.08 1fi9 s ILE 75 Ca -0.13 -0.18 -0.15 0.00 -0.26 0.00 0.00 60.65 59.93 1fi9 s ILE 75 Cb 0.13 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 43.05 1fi9 s ILE 75 CO 0.72 -0.25 2.24 -0.81 0.24 0.00 0.00 174.94 177.08 1fi9 n PRO 76 N 5.32 2.51 0.00 0.37 -0.04 -0.80 -3.74 135.00 138.62 1fi9 n PRO 76 Ca -0.05 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1fi9 n PRO 76 Cb 0.49 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.12 -1.68 0.00 0.55 0.00 -1.26 -5.13 105.19 101.78 1fi9 n GLY 77 Ca 0.54 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.29 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 -2.71 2.61 -1.04 -1.24 -4.94 114.28 106.95 1fi9 n THR 78 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1fi9 n THR 78 Cb 0.00 -0.15 0.09 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.00 0.73 -1.72 -2.82 2.85 -1.26 -5.14 118.16 110.80 1fi9 n LYS 79 Ca 0.00 -1.55 -0.42 0.00 -1.05 0.00 0.00 58.31 55.29 1fi9 n LYS 79 Cb 0.00 -0.86 -0.02 0.00 -0.65 0.00 0.00 35.03 33.49 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 0.69 2.63 0.00 -1.58 1.56 -1.26 -4.88 117.12 114.28 1fi9 n MET 80 Ca 0.04 0.94 0.00 0.00 -0.27 0.00 0.00 57.70 58.41 1fi9 n MET 80 Cb 0.70 -2.74 0.00 0.00 2.15 0.00 0.00 33.22 33.33 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 2.91 0.00 -3.02 1.12 -5.35 -1.26 -5.15 119.36 108.61 1fi9 n ILE 81 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1fi9 n ILE 81 Cb 0.35 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 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 -2.28 -0.57 0.00 4.28 -1.74 -1.26 -5.08 117.46 110.81 1fi9 n PHE 82 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1fi9 n PHE 82 Cb 0.28 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.28 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 n ALA 83 N -3.00 -0.37 0.00 1.98 0.00 -1.26 -5.04 120.51 112.82 1fi9 n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fi9 n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.88 -1.04 3.73 0.00 0.00 -1.26 -4.51 105.19 101.23 1fi9 n GLY 84 Ca 0.00 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 1fi9 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fi9 s ILE 85 N -2.97 2.30 0.18 -0.61 -1.09 -1.11 -4.90 121.20 113.00 1fi9 s ILE 85 Ca 0.00 0.16 -0.12 0.00 -2.23 0.00 0.00 60.65 58.46 1fi9 s ILE 85 Cb 0.00 -2.82 0.20 0.00 -1.58 0.00 0.00 42.46 38.26 1fi9 s ILE 85 CO 0.00 -0.07 1.16 0.29 -1.23 0.00 0.00 174.94 175.09 1fi9 n LYS 86 N -2.46 -0.16 -2.02 2.79 5.02 -1.26 -4.79 118.16 115.28 1fi9 n LYS 86 Ca 0.14 1.15 -0.00 0.00 -2.02 0.00 0.00 58.31 57.58 1fi9 n LYS 86 Cb 0.50 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -5.11 0.07 -0.18 1.97 2.85 -1.26 -5.03 118.16 111.46 1fi9 n LYS 87 Ca 0.08 -0.19 -0.03 0.00 -1.05 0.00 0.00 58.31 57.12 1fi9 n LYS 87 Cb 0.31 0.28 0.07 0.00 -0.65 0.00 0.00 35.03 35.04 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 0.49 -0.11 -1.58 2.10 -1.97 -0.98 116.57 114.52 1fi9 h LYS 88 Ca -0.04 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.63 1fi9 h LYS 88 Cb 0.20 -0.11 -0.06 0.00 -0.90 0.00 0.00 32.23 31.36 1fi9 h LYS 88 CO 0.06 0.32 -0.30 1.15 -2.00 0.00 0.00 179.45 178.68 1fi9 h THR 89 N 0.50 0.31 -0.28 0.07 2.02 -1.99 0.15 112.91 113.70 1fi9 h THR 89 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1fi9 h THR 89 Cb 0.20 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1fi9 h THR 89 CO -0.19 0.00 0.11 -0.33 0.37 0.00 0.00 175.52 175.47 1fi9 h GLU 90 N -0.39 0.42 -0.69 6.66 5.08 -1.89 -1.26 114.58 122.52 1fi9 h GLU 90 Ca 0.09 -0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1fi9 h GLU 90 Cb 0.53 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 1fi9 h GLU 90 CO -0.33 0.45 0.21 0.00 -1.00 0.00 0.00 179.01 178.34 1fi9 h ARG 91 N 0.30 0.33 0.51 2.33 3.08 -0.39 0.22 114.38 120.76 1fi9 h ARG 91 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1fi9 h ARG 91 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1fi9 h ARG 91 CO -0.01 0.22 -0.24 1.49 -1.07 0.00 0.00 179.97 180.36 1fi9 h GLU 92 N 0.34 -0.66 -0.74 0.04 4.81 -0.36 0.35 114.58 118.37 1fi9 h GLU 92 Ca 0.37 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.81 1fi9 h GLU 92 Cb 0.57 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 29.99 1fi9 h GLU 92 CO -0.42 -0.41 0.17 -0.44 -0.73 0.00 0.00 179.01 177.19 1fi9 h ASP 93 N -0.74 -0.00 0.09 1.04 3.32 -0.81 -1.55 116.42 117.76 1fi9 h ASP 93 Ca -0.07 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1fi9 h ASP 93 Cb 0.55 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1fi9 h ASP 93 CO 0.11 -0.05 -0.24 0.25 -1.72 0.00 0.00 179.24 177.60 1fi9 h LEU 94 N 0.26 -0.68 -0.93 1.55 6.46 0.11 -1.43 115.31 120.65 1fi9 h LEU 94 Ca 0.41 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 58.42 1fi9 h LEU 94 Cb 0.71 0.26 -0.10 0.00 -0.73 0.00 0.00 40.66 40.81 1fi9 h LEU 94 CO -0.52 -0.32 0.52 0.40 -0.62 0.00 0.00 178.44 177.90 1fi9 h ILE 95 N -0.42 0.73 -0.35 4.05 5.03 -0.25 -1.21 117.51 125.09 1fi9 h ILE 95 Ca 0.04 -0.24 0.08 0.00 -0.12 0.00 0.00 64.86 64.61 1fi9 h ILE 95 Cb 0.46 -0.04 -0.08 0.00 -3.03 0.00 0.00 36.82 34.13 1fi9 h ILE 95 CO -0.16 0.13 -0.20 0.00 -0.68 0.00 0.00 178.15 177.25 1fi9 h ALA 96 N 1.59 0.05 0.92 1.87 0.00 -0.30 0.24 119.26 123.63 1fi9 h ALA 96 Ca 0.51 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1fi9 h ALA 96 Cb 0.74 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fi9 h ALA 96 CO -0.37 -0.58 -0.48 -0.92 0.00 0.00 0.00 179.25 176.91 1fi9 h TYR 97 N -0.14 -1.26 -0.76 0.00 3.20 -1.06 -3.14 116.97 113.81 1fi9 h TYR 97 Ca 0.18 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.20 1fi9 h TYR 97 Cb 0.42 0.43 -0.13 0.00 1.54 0.00 0.00 36.73 38.99 1fi9 h TYR 97 CO -0.41 -0.75 0.05 -0.07 -1.64 0.00 0.00 178.16 175.33 1fi9 h LEU 98 N -1.28 -0.27 -0.73 2.82 4.07 -0.82 0.17 115.31 119.26 1fi9 h LEU 98 Ca -0.12 0.19 0.12 0.00 0.08 0.00 0.00 57.88 58.15 1fi9 h LEU 98 Cb 1.00 0.32 -0.13 0.00 1.08 0.00 0.00 40.66 42.93 1fi9 h LEU 98 CO 0.18 -0.16 -0.35 0.11 -1.08 0.00 0.00 178.44 177.14 1fi9 h LYS 99 N 0.13 -0.10 0.25 1.13 1.57 -0.49 0.18 116.57 119.24 1fi9 h LYS 99 Ca 0.42 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1fi9 h LYS 99 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1fi9 h LYS 99 CO -0.64 -0.07 -0.12 -0.22 -0.57 0.00 0.00 179.45 177.83 1fi9 h LYS 100 N -0.11 -0.33 -0.30 3.15 1.63 -1.08 -3.11 116.57 116.43 1fi9 h LYS 100 Ca 0.27 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.16 1fi9 h LYS 100 Cb 0.57 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.21 1fi9 h LYS 100 CO -0.79 0.03 -0.14 0.00 -3.45 0.00 0.00 179.45 175.10 1fi9 h ALA 101 N -0.30 0.09 -0.66 5.00 0.00 0.25 0.23 119.26 123.87 1fi9 h ALA 101 Ca -0.03 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1fi9 h ALA 101 Cb 0.51 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1fi9 h ALA 101 CO 0.06 -0.54 0.12 1.79 0.00 0.00 0.00 179.25 180.68 1fi9 h THR 102 N -0.10 1.26 0.42 0.00 1.35 -0.65 -3.19 112.91 112.00 1fi9 h THR 102 Ca 0.15 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.99 1fi9 h THR 102 Cb 0.33 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1fi9 h THR 102 CO -0.36 0.38 -0.20 -1.13 -0.25 0.00 0.00 175.52 173.95 1fi9 h ASN 103 N 1.01 -0.48 0.00 5.36 -0.73 -1.09 -1.23 115.58 118.41 1fi9 h ASN 103 Ca 0.20 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1fi9 h ASN 103 Cb 0.41 0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1fi9 h ASN 103 CO 0.01 -0.30 0.00 -0.62 -0.37 0.00 0.00 177.43 176.15