#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 6.87 0.20 1.61 2.15 -1.26 -4.71 116.67 121.52 1fi9 s ASP 2 Ca 0.00 1.67 -0.07 0.00 0.43 0.00 0.00 52.55 54.58 1fi9 s ASP 2 Cb 0.00 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.21 1fi9 s ASP 2 CO 0.00 -0.83 1.67 0.58 -0.17 0.00 0.00 175.17 176.42 1fi9 h VAL 3 N 5.58 1.26 0.51 1.11 2.07 -1.84 0.15 116.25 125.10 1fi9 h VAL 3 Ca -0.28 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1fi9 h VAL 3 Cb 1.11 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1fi9 h VAL 3 CO 0.98 0.41 -0.25 -0.33 0.02 0.00 0.00 177.57 178.40 1fi9 h GLU 4 N 0.94 -0.66 -0.10 1.57 4.39 -1.92 0.07 114.58 118.86 1fi9 h GLU 4 Ca 0.17 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1fi9 h GLU 4 Cb 0.53 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1fi9 h GLU 4 CO 0.03 -0.38 0.06 0.87 -1.16 0.00 0.00 179.01 178.43 1fi9 h LYS 5 N -0.85 0.13 -0.95 2.33 1.57 -1.92 -2.86 116.57 114.01 1fi9 h LYS 5 Ca -0.07 -0.01 0.29 0.00 -1.87 0.00 0.00 60.65 58.99 1fi9 h LYS 5 Cb 0.59 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.72 1fi9 h LYS 5 CO 0.12 0.11 0.37 0.78 -0.57 0.00 0.00 179.45 180.26 1fi9 h GLY 6 N 0.11 1.71 0.89 3.86 0.00 -0.53 0.39 103.07 109.50 1fi9 h GLY 6 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1fi9 h GLY 6 CO -0.01 -0.48 -0.18 1.70 0.00 0.00 0.00 176.54 177.58 1fi9 h LYS 7 N 0.21 -0.42 -0.48 4.80 3.64 -0.76 -1.08 116.57 122.49 1fi9 h LYS 7 Ca 0.66 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.94 1fi9 h LYS 7 Cb 1.45 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.35 1fi9 h LYS 7 CO -0.68 -0.28 -0.18 0.87 -2.27 0.00 0.00 179.45 176.92 1fi9 h LYS 8 N -0.43 0.94 0.14 1.90 6.56 -0.50 -2.78 116.57 122.40 1fi9 h LYS 8 Ca -0.02 -0.37 0.02 0.00 -1.06 0.00 0.00 60.65 59.21 1fi9 h LYS 8 Cb 0.37 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 1fi9 h LYS 8 CO 0.01 1.04 -0.45 0.82 -2.06 0.00 0.00 179.45 178.81 1fi9 h ILE 9 N 0.82 0.12 -0.89 1.86 2.04 -0.16 0.39 117.51 121.69 1fi9 h ILE 9 Ca 0.12 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.20 1fi9 h ILE 9 Cb 0.73 0.12 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 1fi9 h ILE 9 CO 0.06 0.00 0.37 0.15 0.00 0.00 0.00 178.15 178.73 1fi9 h PHE 10 N -0.70 0.60 0.00 1.37 3.57 -1.11 0.37 116.94 121.05 1fi9 h PHE 10 Ca 0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1fi9 h PHE 10 Cb 0.71 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1fi9 h PHE 10 CO -0.38 -0.07 -0.19 0.28 -2.23 0.00 0.00 178.31 175.72 1fi9 h VAL 11 N 0.37 0.44 -0.03 1.41 2.07 -0.89 -0.48 116.25 119.14 1fi9 h VAL 11 Ca 0.56 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1fi9 h VAL 11 Cb 1.07 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1fi9 h VAL 11 CO -0.54 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.24 1fi9 n GLN 12 N -3.30 0.92 0.03 1.57 1.13 0.12 -4.60 117.38 113.26 1fi9 n GLN 12 Ca 0.01 -1.32 -0.00 0.00 -1.94 0.00 0.00 57.00 53.74 1fi9 n GLN 12 Cb 0.45 -1.26 -0.00 0.00 0.11 0.00 0.00 30.24 29.54 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 0.75 0.03 0.00 -1.09 4.01 0.98 -5.00 118.16 117.83 1fi9 n LYS 13 Ca 0.08 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1fi9 n LYS 13 Cb 0.34 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.42 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fi9 n ALA 15 N -1.59 0.00 -1.24 0.00 0.00 -0.32 -3.61 120.51 113.75 1fi9 n ALA 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 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 3.18 0.00 0.00 6.02 -1.26 -2.78 117.38 122.54 1fi9 n GLN 16 Ca 0.00 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 1fi9 n GLN 16 Cb 0.00 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 28.72 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 -1.42 1.97 -0.04 0.00 3.76 -1.12 -3.80 115.29 114.64 1fi9 s HIS 18 Ca 0.00 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1fi9 s HIS 18 Cb 0.00 -1.01 0.03 0.00 1.11 0.00 0.00 32.58 32.71 1fi9 s HIS 18 CO 0.00 0.35 0.08 0.99 -0.85 0.00 0.00 174.74 175.31 1fi9 s THR 19 N -1.68 -0.04 -0.40 1.30 2.01 -1.26 -3.77 115.64 111.80 1fi9 s THR 19 Ca 0.15 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.35 1fi9 s THR 19 Cb -0.08 -0.15 0.43 0.00 0.01 0.00 0.00 72.50 72.72 1fi9 s THR 19 CO 0.07 0.06 1.12 1.33 -0.69 0.00 0.00 174.62 176.51 1fi9 n VAL 20 N 3.88 2.32 -3.76 3.82 0.24 -1.26 0.90 118.33 124.47 1fi9 n VAL 20 Ca -0.23 -4.67 -0.13 0.00 -2.04 0.00 0.00 64.34 57.27 1fi9 n VAL 20 Cb 0.53 -1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 31.71 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 -3.53 0.72 0.36 7.34 -1.05 -1.26 -4.16 118.70 117.11 1fi9 s GLU 21 Ca 0.47 -0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 54.73 1fi9 s GLU 21 Cb 0.40 0.32 -0.09 0.00 -0.44 0.00 0.00 34.13 34.32 1fi9 s GLU 21 CO -0.13 -0.21 1.24 0.21 0.95 0.00 0.00 175.26 177.32 1fi9 s LYS 22 N -1.73 4.20 -0.80 -4.83 2.36 -1.26 -3.25 119.74 114.43 1fi9 s LYS 22 Ca -0.11 2.05 -0.02 0.00 -2.55 0.00 0.00 55.97 55.34 1fi9 s LYS 22 Cb -0.04 -2.89 0.00 0.00 -1.05 0.00 0.00 37.83 33.86 1fi9 s LYS 22 CO 0.02 -0.26 0.26 0.41 1.55 0.00 0.00 175.35 177.33 1fi9 n GLY 23 N 0.76 0.06 1.20 5.54 0.00 -1.26 -4.94 105.19 106.56 1fi9 n GLY 23 Ca 0.02 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.12 2.77 7.00 -0.02 0.00 -1.20 -5.08 105.19 107.54 1fi9 n GLY 24 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 1.03 0.00 -3.56 1.61 5.02 -1.26 -4.81 118.16 116.19 1fi9 n LYS 25 Ca 0.21 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.46 1fi9 n LYS 25 Cb 0.67 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.62 1fi9 n LYS 25 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1fi9 s HIS 26 N 0.00 -1.11 0.00 2.13 -3.43 -1.26 -4.24 115.29 107.38 1fi9 s HIS 26 Ca 0.00 1.80 0.00 0.00 -0.80 0.00 0.00 55.06 56.06 1fi9 s HIS 26 Cb 0.00 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1fi9 s HIS 26 CO 0.00 -0.63 0.00 1.63 -2.00 0.00 0.00 174.74 173.74 1fi9 n LYS 27 N 5.42 0.00 -3.45 -0.38 5.02 -1.26 -4.91 118.16 118.59 1fi9 n LYS 27 Ca -0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 1fi9 n LYS 27 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.44 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 -0.27 2.93 0.00 -0.18 -1.04 -1.25 -4.96 114.28 109.51 1fi9 n THR 28 Ca 0.00 -5.29 0.00 0.00 -2.04 0.00 0.00 64.05 56.72 1fi9 n THR 28 Cb 0.00 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.35 1fi9 n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fi9 n GLY 29 N 1.33 4.24 3.86 3.41 0.00 -1.26 -4.76 105.19 112.01 1fi9 n GLY 29 Ca 0.26 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1fi9 n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fi9 s PRO 30 N -3.54 3.81 -0.15 1.61 0.04 -1.26 -4.71 135.00 130.79 1fi9 s PRO 30 Ca 0.00 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1fi9 s PRO 30 Cb 0.00 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1fi9 s PRO 30 CO 0.00 -0.26 2.06 0.54 0.04 0.00 0.00 177.00 179.38 1fi9 s ASN 31 N -3.37 5.86 -0.51 6.66 4.22 -1.26 -4.52 114.94 122.03 1fi9 s ASN 31 Ca 0.55 2.05 -0.07 0.00 -2.14 0.00 0.00 52.86 53.25 1fi9 s ASN 31 Cb -0.10 -2.52 -0.19 0.00 1.28 0.00 0.00 41.25 39.72 1fi9 s ASN 31 CO 0.36 -1.61 3.18 0.18 -2.04 0.00 0.00 177.10 177.17 1fi9 n LEU 32 N 10.09 5.92 -3.77 3.54 4.32 0.26 -4.68 117.00 132.67 1fi9 n LEU 32 Ca 0.25 -3.35 -0.39 0.00 -0.02 0.00 0.00 56.01 52.51 1fi9 n LEU 32 Cb 0.44 -1.36 -0.01 0.00 -1.62 0.00 0.00 43.42 40.87 1fi9 n LEU 32 CO 0.67 1.62 0.96 1.57 -1.22 0.00 0.00 177.39 180.98 1fi9 n HIS 33 N 2.94 2.67 0.00 -1.77 -0.00 -1.26 -4.27 115.22 113.53 1fi9 n HIS 33 Ca 0.51 -2.92 0.00 0.00 0.46 0.00 0.00 57.72 55.77 1fi9 n HIS 33 Cb 0.63 -1.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.42 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 0.88 0.49 0.06 1.57 0.00 -1.11 -4.89 105.19 102.19 1fi9 n GLY 34 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 0.06 -8.42 0.99 5.85 -1.86 -3.37 115.31 108.55 1fi9 h LEU 35 Ca 0.00 -0.03 -0.55 0.00 0.84 0.00 0.00 57.88 58.14 1fi9 h LEU 35 Cb 0.00 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1fi9 h LEU 35 CO 0.00 0.07 1.02 -0.36 -0.34 0.00 0.00 178.44 178.83 1fi9 s PHE 36 N -6.07 2.38 0.00 1.25 0.08 -1.26 -3.80 117.98 110.57 1fi9 s PHE 36 Ca -0.13 0.07 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1fi9 s PHE 36 Cb 0.06 -4.59 0.00 0.00 -0.57 0.00 0.00 43.02 37.93 1fi9 s PHE 36 CO 0.67 -1.93 0.00 0.41 -0.10 0.00 0.00 175.22 174.27 1fi9 n GLY 37 N 5.29 1.06 3.61 4.36 0.00 -1.24 -4.90 105.19 113.37 1fi9 n GLY 37 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.76 0.88 1.61 3.52 -1.25 -5.10 118.95 119.37 1fi9 s ARG 38 Ca 0.00 0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 56.21 1fi9 s ARG 38 Cb 0.00 0.37 0.12 0.00 -1.56 0.00 0.00 34.95 33.88 1fi9 s ARG 38 CO 0.00 -0.13 1.11 0.15 -0.81 0.00 0.00 175.30 175.62 1fi9 s LYS 39 N -0.00 1.36 0.07 5.12 3.01 -1.26 -4.34 119.74 123.69 1fi9 s LYS 39 Ca -0.01 1.24 -0.35 0.00 -1.01 0.00 0.00 55.97 55.85 1fi9 s LYS 39 Cb -0.04 -1.79 -0.18 0.00 -1.01 0.00 0.00 37.83 34.81 1fi9 s LYS 39 CO 0.00 -2.30 1.53 1.79 0.51 0.00 0.00 175.35 176.89 1fi9 h THR 40 N -1.61 0.00 0.00 2.17 1.35 -1.63 -3.14 112.91 110.05 1fi9 h THR 40 Ca -0.46 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.34 1fi9 h THR 40 Cb 1.26 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1fi9 h THR 40 CO 0.48 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.29 1fi9 n GLY 41 N -1.58 2.20 2.70 5.82 0.00 -1.26 -3.83 105.19 109.25 1fi9 n GLY 41 Ca -0.13 -0.41 -0.07 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 2.08 1.29 -1.58 1.61 1.13 -1.19 -4.98 117.38 115.74 1fi9 n GLN 42 Ca 0.14 -3.29 -0.29 0.00 -1.94 0.00 0.00 57.00 51.62 1fi9 n GLN 42 Cb 0.51 -1.31 0.11 0.00 0.11 0.00 0.00 30.24 29.65 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 -3.24 2.12 1.00 -1.58 0.00 -1.25 -4.89 121.76 113.92 1fi9 s ALA 43 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1fi9 s ALA 43 Cb 0.43 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1fi9 s ALA 43 CO 0.02 -1.91 0.00 -0.35 0.00 0.00 0.00 175.76 173.52 1fi9 n PRO 44 N -3.53 1.17 0.12 0.00 -0.04 -1.26 -4.87 135.00 126.60 1fi9 n PRO 44 Ca 0.07 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.72 1fi9 n PRO 44 Cb 0.58 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.73 1fi9 n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1fi9 h GLY 45 N 0.00 0.00 -5.53 0.55 0.00 -2.04 -3.43 103.07 92.62 1fi9 h GLY 45 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 1fi9 h GLY 45 CO 0.00 0.00 -0.20 0.33 0.00 0.00 0.00 176.54 176.67 1fi9 n PHE 46 N -3.42 0.15 -1.59 5.60 7.35 -1.26 -4.85 117.46 119.44 1fi9 n PHE 46 Ca 0.07 1.01 -0.48 0.00 -0.76 0.00 0.00 57.45 57.29 1fi9 n PHE 46 Cb 0.69 -2.02 -0.04 0.00 0.35 0.00 0.00 39.48 38.46 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 0.84 0.98 -3.09 -2.13 -1.04 -1.26 -4.93 114.28 103.65 1fi9 n THR 47 Ca 0.19 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.73 1fi9 n THR 47 Cb 0.15 -0.92 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.24 3.25 -0.03 -1.42 1.51 -1.26 -5.05 117.35 114.11 1fi9 s TYR 48 Ca 0.72 0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 56.94 1fi9 s TYR 48 Cb -0.82 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 38.82 1fi9 s TYR 48 CO 0.52 -0.25 0.11 0.99 -1.11 0.00 0.00 175.55 175.81 1fi9 s THR 49 N -2.48 0.02 0.06 -0.71 2.01 -1.26 -5.08 115.64 108.19 1fi9 s THR 49 Ca 0.47 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 1fi9 s THR 49 Cb -0.10 -0.21 -0.12 0.00 0.01 0.00 0.00 72.50 72.08 1fi9 s THR 49 CO 0.37 -0.08 1.40 0.44 -0.69 0.00 0.00 174.62 176.05 1fi9 h ASP 50 N 5.65 -1.03 -0.43 3.53 5.19 -1.99 -1.19 116.42 126.15 1fi9 h ASP 50 Ca -0.26 0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.29 1fi9 h ASP 50 Cb 1.20 0.35 -0.05 0.00 0.18 0.00 0.00 39.33 41.01 1fi9 h ASP 50 CO 0.43 -0.46 0.16 0.00 -3.12 0.00 0.00 179.24 176.25 1fi9 h ALA 51 N -1.08 0.52 -0.46 3.45 0.00 -1.97 0.44 119.26 120.16 1fi9 h ALA 51 Ca -0.04 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1fi9 h ALA 51 Cb 0.61 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1fi9 h ALA 51 CO -0.08 -0.22 0.00 -0.97 0.00 0.00 0.00 179.25 177.98 1fi9 h ASN 52 N 0.34 -0.18 0.19 0.00 -0.73 -1.97 -1.79 115.58 111.43 1fi9 h ASN 52 Ca 0.20 0.11 -0.12 0.00 1.87 0.00 0.00 56.30 58.36 1fi9 h ASN 52 Cb 0.18 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1fi9 h ASN 52 CO -0.19 -0.06 -0.43 0.50 -0.37 0.00 0.00 177.43 176.88 1fi9 h LYS 53 N 0.12 0.31 0.00 6.67 3.64 0.15 -2.78 116.57 124.67 1fi9 h LYS 53 Ca 0.23 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1fi9 h LYS 53 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1fi9 h LYS 53 CO -0.38 0.68 0.00 -0.97 -2.27 0.00 0.00 179.45 176.51 1fi9 h ASN 54 N 0.25 0.00 0.22 4.20 -0.73 0.65 -3.22 115.58 116.95 1fi9 h ASN 54 Ca 0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 1fi9 h ASN 54 Cb 0.86 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.45 1fi9 h ASN 54 CO 0.07 0.00 -0.11 0.50 -0.37 0.00 0.00 177.43 177.52 1fi9 h LYS 55 N 0.00 -0.29 -4.78 6.67 3.64 -1.12 -3.48 116.57 117.21 1fi9 h LYS 55 Ca 0.00 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1fi9 h LYS 55 Cb 0.19 0.07 0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1fi9 h LYS 55 CO 0.00 -0.09 -0.41 0.41 -2.27 0.00 0.00 179.45 177.09 1fi9 n GLY 56 N -0.85 -0.75 3.76 5.01 0.00 -1.22 -5.05 105.19 106.09 1fi9 n GLY 56 Ca -0.09 0.34 -0.08 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 -3.19 0.00 -1.99 -0.61 -4.36 -1.26 -5.01 121.20 104.78 1fi9 s ILE 57 Ca 0.22 -0.81 0.12 0.00 -0.26 0.00 0.00 60.65 59.92 1fi9 s ILE 57 Cb -0.03 -1.80 0.36 0.00 1.25 0.00 0.00 42.46 42.24 1fi9 s ILE 57 CO 0.55 -0.00 1.30 0.41 0.24 0.00 0.00 174.94 177.43 1fi9 n THR 58 N -0.44 0.55 -2.82 8.37 -1.04 -1.26 -1.72 114.28 115.91 1fi9 n THR 58 Ca -0.07 -0.55 -0.02 0.00 -2.04 0.00 0.00 64.05 61.38 1fi9 n THR 58 Cb 0.60 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 1fi9 n THR 58 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1fi9 n TRP 59 N 0.69 -3.38 -4.29 -1.42 7.02 -1.26 -3.69 117.44 111.11 1fi9 n TRP 59 Ca 0.14 1.48 -0.23 0.00 -1.02 0.00 0.00 57.50 57.86 1fi9 n TRP 59 Cb 0.35 -3.57 -0.07 0.00 -2.42 0.00 0.00 31.31 25.59 1fi9 n TRP 59 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1fi9 s LYS 60 N -1.71 2.29 0.37 -0.99 -2.85 -1.26 -4.32 119.74 111.28 1fi9 s LYS 60 Ca 0.04 -1.40 0.17 0.00 -1.00 0.00 0.00 55.97 53.78 1fi9 s LYS 60 Cb -0.01 -2.17 1.07 0.00 -2.06 0.00 0.00 37.83 34.66 1fi9 s LYS 60 CO 0.68 0.37 1.73 1.05 0.10 0.00 0.00 175.35 179.29 1fi9 h GLU 61 N 1.95 0.40 -0.36 1.78 4.11 -1.97 0.80 114.58 121.28 1fi9 h GLU 61 Ca -0.44 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.02 1fi9 h GLU 61 Cb 1.25 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1fi9 h GLU 61 CO 0.60 0.26 0.04 1.49 0.07 0.00 0.00 179.01 181.48 1fi9 h GLU 62 N 0.41 0.15 0.04 1.06 4.81 -1.99 0.40 114.58 119.47 1fi9 h GLU 62 Ca 0.64 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.86 1fi9 h GLU 62 Cb 1.54 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1fi9 h GLU 62 CO -0.39 0.10 -0.02 1.15 -0.73 0.00 0.00 179.01 179.12 1fi9 h THR 63 N 0.15 1.31 -0.92 0.32 2.02 -1.32 -3.25 112.91 111.23 1fi9 h THR 63 Ca 0.17 -1.30 0.16 0.00 0.77 0.00 0.00 66.41 66.22 1fi9 h THR 63 Cb 0.21 2.15 -0.10 0.00 -1.74 0.00 0.00 68.15 68.68 1fi9 h THR 63 CO -0.25 0.32 0.52 -0.07 0.37 0.00 0.00 175.52 176.41 1fi9 h LEU 64 N -0.65 0.66 -0.90 2.58 3.38 -0.85 0.26 115.31 119.78 1fi9 h LEU 64 Ca -0.01 0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.28 1fi9 h LEU 64 Cb 0.57 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1fi9 h LEU 64 CO 0.01 0.26 0.41 0.24 0.09 0.00 0.00 178.44 179.45 1fi9 h MET 65 N 0.71 0.40 0.00 1.13 2.86 -0.23 0.13 114.93 119.92 1fi9 h MET 65 Ca 0.51 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.09 1fi9 h MET 65 Cb 0.74 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1fi9 h MET 65 CO -0.37 0.27 -0.44 0.93 1.06 0.00 0.00 176.91 178.36 1fi9 h GLU 66 N 0.41 0.00 -0.70 1.72 4.39 -1.13 -3.29 114.58 115.99 1fi9 h GLU 66 Ca 0.57 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.38 1fi9 h GLU 66 Cb 1.07 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.59 1fi9 h GLU 66 CO -0.52 0.20 -0.34 -0.92 -1.16 0.00 0.00 179.01 176.27 1fi9 h TYR 67 N -1.00 -0.93 -0.42 4.33 3.20 -0.31 0.48 116.97 122.32 1fi9 h TYR 67 Ca -0.05 0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1fi9 h TYR 67 Cb 0.51 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1fi9 h TYR 67 CO -0.08 -0.38 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.92 1fi9 h LEU 68 N -0.11 0.69 -3.44 2.82 3.38 -0.98 -1.56 115.31 116.11 1fi9 h LEU 68 Ca 0.27 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1fi9 h LEU 68 Cb 0.56 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1fi9 h LEU 68 CO -0.76 0.80 0.19 1.21 0.09 0.00 0.00 178.44 179.97 1fi9 n GLU 69 N -4.20 3.72 0.00 1.13 4.07 0.66 -4.23 120.64 121.80 1fi9 n GLU 69 Ca 0.02 -2.77 0.00 0.00 -0.06 0.00 0.00 57.16 54.35 1fi9 n GLU 69 Cb 0.32 -2.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1fi9 n ASN 70 N 0.07 0.00 0.08 4.31 3.02 0.14 -4.75 115.26 118.12 1fi9 n ASN 70 Ca 0.34 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.85 1fi9 n ASN 70 Cb 1.24 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 40.57 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 0.27 -2.34 3.52 0.13 -1.47 -3.24 132.00 128.86 1fi9 h PRO 71 Ca 0.00 -0.15 -0.78 0.00 -0.87 0.00 0.00 66.00 64.20 1fi9 h PRO 71 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 1fi9 h PRO 71 CO 0.00 0.72 1.45 0.36 -0.23 0.00 0.00 178.00 180.29 1fi9 n LYS 72 N -3.95 4.97 0.15 0.86 0.00 -1.26 -4.22 118.16 114.70 1fi9 n LYS 72 Ca -0.02 -4.17 0.00 0.00 -0.00 0.00 0.00 58.31 54.12 1fi9 n LYS 72 Cb 0.55 -2.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.08 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 0.49 0.00 0.25 -1.58 0.00 -1.22 -4.97 118.16 111.12 1fi9 n LYS 73 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.73 1fi9 n LYS 73 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.24 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 -0.61 -3.45 5.64 -1.99 -1.77 -3.44 116.97 111.34 1fi9 h TYR 74 Ca 0.00 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 60.18 1fi9 h TYR 74 Cb 0.00 0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1fi9 h TYR 74 CO 0.00 -0.38 -0.07 0.96 -0.00 0.00 0.00 178.16 178.67 1fi9 s ILE 75 N -3.91 4.86 -0.77 -2.88 -5.25 -1.26 -5.03 121.20 106.96 1fi9 s ILE 75 Ca -0.10 0.67 -0.24 0.00 -0.99 0.00 0.00 60.65 60.00 1fi9 s ILE 75 Cb 0.01 -3.66 0.06 0.00 2.95 0.00 0.00 42.46 41.82 1fi9 s ILE 75 CO 0.29 0.01 1.16 -2.16 -1.79 0.00 0.00 174.94 172.45 1fi9 s PRO 76 N -2.57 3.26 -1.18 0.37 0.04 -1.26 -4.62 135.00 129.04 1fi9 s PRO 76 Ca 0.46 -0.77 -0.10 0.00 0.04 0.00 0.00 61.00 60.63 1fi9 s PRO 76 Cb -0.12 -4.45 -0.02 0.00 0.04 0.00 0.00 34.50 29.95 1fi9 s PRO 76 CO 0.20 -1.98 0.79 0.41 0.04 0.00 0.00 177.00 176.45 1fi9 n GLY 77 N 5.58 -0.79 0.14 0.56 0.00 -1.26 -4.93 105.19 104.49 1fi9 n GLY 77 Ca 0.07 0.37 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.98 1.71 -2.51 2.61 -1.04 -1.26 -4.79 114.28 105.00 1fi9 n THR 78 Ca -0.16 -0.63 -0.01 0.00 -2.04 0.00 0.00 64.05 61.20 1fi9 n THR 78 Cb 0.63 -1.65 0.06 0.00 -1.82 0.00 0.00 70.33 67.55 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 -3.42 0.62 -1.00 -2.82 0.00 -1.26 -5.11 118.16 105.16 1fi9 n LYS 79 Ca -0.36 -0.59 -0.33 0.00 -0.00 0.00 0.00 58.31 57.03 1fi9 n LYS 79 Cb 1.03 0.24 0.14 0.00 -0.00 0.00 0.00 35.03 36.44 1fi9 n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fi9 n MET 80 N -0.71 0.03 0.02 -1.58 0.00 -1.26 -4.95 117.12 108.67 1fi9 n MET 80 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1fi9 n MET 80 Cb 0.67 -2.42 0.00 0.00 0.00 0.00 0.00 33.22 31.47 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 -3.53 0.00 -4.15 3.17 -5.35 -1.26 -5.12 119.36 103.13 1fi9 n ILE 81 Ca 0.13 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.46 1fi9 n ILE 81 Cb 0.51 -0.34 -0.06 0.00 -1.74 0.00 0.00 39.64 38.00 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1fi9 s PHE 82 N -2.00 1.19 0.00 4.28 -0.12 -1.26 -5.11 117.98 114.96 1fi9 s PHE 82 Ca 0.00 -1.35 0.00 0.00 -0.05 0.00 0.00 56.93 55.53 1fi9 s PHE 82 Cb 0.00 -0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 1fi9 s PHE 82 CO 0.00 -0.98 0.89 0.00 -0.05 0.00 0.00 175.22 175.08 1fi9 n ALA 83 N -0.52 -0.36 -3.29 1.99 0.00 -1.26 -4.74 120.51 112.33 1fi9 n ALA 83 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1fi9 n ALA 83 Cb 0.62 0.03 0.01 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.89 1.70 0.00 0.00 0.00 -1.26 -3.85 105.19 100.88 1fi9 n GLY 84 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.19 0.00 0.03 -0.61 2.08 -1.26 -4.96 119.36 114.45 1fi9 n ILE 85 Ca -0.03 0.58 0.00 0.00 0.56 0.00 0.00 62.75 63.86 1fi9 n ILE 85 Cb 0.21 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 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 -0.31 0.00 0.22 0.38 5.02 -1.26 -5.06 118.16 117.15 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 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 1fi9 n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi9 n LYS 87 N -2.78 0.00 0.00 1.97 2.85 -1.26 -5.05 118.16 113.89 1fi9 n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 87 Cb 0.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 1fi9 n LYS 87 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1fi9 n LYS 88 N -3.40 0.00 -0.01 -1.58 4.81 -1.26 -4.98 118.16 111.74 1fi9 n LYS 88 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1fi9 n LYS 88 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1fi9 h THR 89 N 0.00 0.16 0.72 3.15 2.02 -1.98 0.29 112.91 117.26 1fi9 h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1fi9 h THR 89 Cb 0.00 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1fi9 h THR 89 CO 0.00 0.00 -0.43 -0.33 0.37 0.00 0.00 175.52 175.13 1fi9 h GLU 90 N -0.48 -1.05 -0.91 6.66 3.07 -1.98 -0.53 114.58 119.37 1fi9 h GLU 90 Ca 0.08 0.07 0.16 0.00 -0.50 0.00 0.00 59.36 59.17 1fi9 h GLU 90 Cb 0.62 0.24 -0.10 0.00 -0.84 0.00 0.00 28.75 28.67 1fi9 h GLU 90 CO -0.40 -0.70 0.50 -0.09 -1.40 0.00 0.00 179.01 176.93 1fi9 h ARG 91 N -1.08 0.67 0.09 2.33 2.43 -1.81 0.18 114.38 117.19 1fi9 h ARG 91 Ca -0.09 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1fi9 h ARG 91 Cb 0.87 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1fi9 h ARG 91 CO 0.10 0.44 -0.04 1.49 -1.51 0.00 0.00 179.97 180.45 1fi9 h GLU 92 N 0.69 -0.12 -0.88 0.20 4.81 -0.32 -2.07 114.58 116.89 1fi9 h GLU 92 Ca 0.50 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.91 1fi9 h GLU 92 Cb 0.72 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.03 1fi9 h GLU 92 CO -0.37 0.27 0.45 -0.44 -0.73 0.00 0.00 179.01 178.19 1fi9 h ASP 93 N -0.54 0.51 -0.04 1.04 3.32 -0.60 -1.74 116.42 118.37 1fi9 h ASP 93 Ca -0.01 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1fi9 h ASP 93 Cb 0.45 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1fi9 h ASP 93 CO 0.02 0.17 -0.47 0.25 -1.72 0.00 0.00 179.24 177.49 1fi9 h LEU 94 N 0.58 -1.45 -0.83 1.55 6.46 -0.35 -0.34 115.31 120.93 1fi9 h LEU 94 Ca 0.50 0.17 0.21 0.00 -0.12 0.00 0.00 57.88 58.64 1fi9 h LEU 94 Cb 0.79 0.57 -0.14 0.00 -0.73 0.00 0.00 40.66 41.14 1fi9 h LEU 94 CO -0.41 -0.48 0.08 0.40 -0.62 0.00 0.00 178.44 177.41 1fi9 h ILE 95 N -0.59 0.28 -0.39 4.05 5.03 -0.63 0.42 117.51 125.68 1fi9 h ILE 95 Ca 0.04 -0.04 0.08 0.00 -0.12 0.00 0.00 64.86 64.82 1fi9 h ILE 95 Cb 0.68 0.15 -0.07 0.00 -3.03 0.00 0.00 36.82 34.54 1fi9 h ILE 95 CO -0.36 0.02 -0.06 0.00 -0.68 0.00 0.00 178.15 177.07 1fi9 h ALA 96 N 1.78 0.30 0.57 1.87 0.00 -0.44 0.18 119.26 123.52 1fi9 h ALA 96 Ca 0.48 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 1fi9 h ALA 96 Cb 0.92 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1fi9 h ALA 96 CO -0.71 -0.43 -0.27 -0.92 0.00 0.00 0.00 179.25 176.92 1fi9 h TYR 97 N 0.04 -0.70 -0.89 0.00 3.20 -0.68 -3.28 116.97 114.65 1fi9 h TYR 97 Ca 0.19 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.22 1fi9 h TYR 97 Cb 0.29 0.23 -0.17 0.00 1.54 0.00 0.00 36.73 38.62 1fi9 h TYR 97 CO -0.32 -0.44 -0.22 -0.11 -1.64 0.00 0.00 178.16 175.44 1fi9 n LEU 98 N -4.10 -0.32 -0.25 2.82 0.00 0.03 -0.09 117.00 115.09 1fi9 n LEU 98 Ca -0.09 1.52 -0.07 0.00 0.00 0.00 0.00 56.01 57.37 1fi9 n LEU 98 Cb 0.30 -0.46 -0.02 0.00 0.00 0.00 0.00 43.42 43.23 1fi9 n LEU 98 CO 0.23 -1.46 0.57 0.11 0.00 0.00 0.00 177.39 176.84 1fi9 h LYS 99 N 0.00 -0.16 0.10 1.96 1.57 -0.71 0.56 116.57 119.89 1fi9 h LYS 99 Ca 0.43 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1fi9 h LYS 99 Cb 0.65 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1fi9 h LYS 99 CO -0.91 -0.11 -0.05 -0.22 -0.57 0.00 0.00 179.45 177.59 1fi9 h LYS 100 N -0.17 -0.14 -0.63 3.15 3.64 -0.56 -3.30 116.57 118.57 1fi9 h LYS 100 Ca 0.21 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.71 1fi9 h LYS 100 Cb 0.56 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.29 1fi9 h LYS 100 CO -0.75 0.36 -0.30 0.00 -2.27 0.00 0.00 179.45 176.49 1fi9 h ALA 101 N -0.04 0.07 0.23 5.00 0.00 0.00 0.17 119.26 124.69 1fi9 h ALA 101 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fi9 h ALA 101 Cb 0.56 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1fi9 h ALA 101 CO 0.02 -0.62 -0.29 1.79 0.00 0.00 0.00 179.25 180.15 1fi9 h THR 102 N -0.12 0.37 -0.45 0.00 1.35 -1.07 -2.62 112.91 110.38 1fi9 h THR 102 Ca 0.26 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.21 1fi9 h THR 102 Cb 0.55 0.37 -0.08 0.00 -1.73 0.00 0.00 68.15 67.26 1fi9 h THR 102 CO -0.70 0.00 -0.08 -1.13 -0.25 0.00 0.00 175.52 173.36 1fi9 h ASN 103 N -0.58 -0.35 0.00 5.36 -0.73 -1.36 -2.93 115.58 115.00 1fi9 h ASN 103 Ca 0.00 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1fi9 h ASN 103 Cb 0.56 0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1fi9 h ASN 103 CO -0.10 -0.12 0.00 1.21 -0.37 0.00 0.00 177.43 178.05