#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 0.18 1.61 -1.08 -1.26 -4.77 116.67 118.15 1fi9 s ASP 2 Ca 0.00 1.62 -0.08 0.00 -0.52 0.00 0.00 52.55 53.57 1fi9 s ASP 2 Cb 0.00 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 39.00 1fi9 s ASP 2 CO 0.00 -0.90 1.57 0.58 0.52 0.00 0.00 175.17 176.94 1fi9 h VAL 3 N 5.68 1.27 0.70 1.11 2.07 -1.84 0.21 116.25 125.45 1fi9 h VAL 3 Ca -0.28 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 1fi9 h VAL 3 Cb 1.11 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1fi9 h VAL 3 CO 0.99 0.48 -0.34 -0.33 0.02 0.00 0.00 177.57 178.39 1fi9 h GLU 4 N 0.75 -0.91 -0.94 1.57 4.39 -1.92 0.11 114.58 117.64 1fi9 h GLU 4 Ca 0.09 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1fi9 h GLU 4 Cb 0.81 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 1fi9 h GLU 4 CO 0.07 -0.59 0.62 0.87 -1.16 0.00 0.00 179.01 178.82 1fi9 h LYS 5 N -1.20 1.19 -0.71 2.33 1.57 -1.93 -0.50 116.57 117.33 1fi9 h LYS 5 Ca -0.10 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1fi9 h LYS 5 Cb 0.74 -0.27 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1fi9 h LYS 5 CO 0.16 0.79 0.28 0.78 -0.57 0.00 0.00 179.45 180.89 1fi9 h GLY 6 N 1.23 1.05 0.90 3.86 0.00 -0.48 0.23 103.07 109.86 1fi9 h GLY 6 Ca 0.36 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1fi9 h GLY 6 CO -0.09 -0.06 0.19 1.70 0.00 0.00 0.00 176.54 178.27 1fi9 h LYS 7 N 0.44 0.37 -0.11 4.80 3.64 0.84 0.07 116.57 126.63 1fi9 h LYS 7 Ca 0.38 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1fi9 h LYS 7 Cb 0.53 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1fi9 h LYS 7 CO -0.37 0.25 -0.09 0.87 -2.27 0.00 0.00 179.45 177.84 1fi9 h LYS 8 N 0.38 0.26 -0.23 1.90 1.79 -0.52 -2.92 116.57 117.23 1fi9 h LYS 8 Ca 0.13 -0.13 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1fi9 h LYS 8 Cb 0.01 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.59 1fi9 h LYS 8 CO -0.07 0.65 -0.34 0.82 -1.08 0.00 0.00 179.45 179.43 1fi9 h ILE 9 N -0.13 0.25 -0.92 1.86 2.04 -0.38 0.45 117.51 120.68 1fi9 h ILE 9 Ca 0.02 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.15 1fi9 h ILE 9 Cb 0.59 0.25 -0.15 0.00 -0.74 0.00 0.00 36.82 36.76 1fi9 h ILE 9 CO 0.02 0.00 0.28 0.15 0.00 0.00 0.00 178.15 178.60 1fi9 h PHE 10 N -0.36 0.41 0.00 1.37 3.57 -0.97 0.53 116.94 121.50 1fi9 h PHE 10 Ca 0.12 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1fi9 h PHE 10 Cb 0.55 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1fi9 h PHE 10 CO -0.47 -0.26 -0.21 0.28 -2.23 0.00 0.00 178.31 175.43 1fi9 h VAL 11 N 0.18 0.25 0.00 1.41 2.07 -0.60 0.15 116.25 119.70 1fi9 h VAL 11 Ca 0.61 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1fi9 h VAL 11 Cb 1.30 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1fi9 h VAL 11 CO -0.70 0.14 -0.94 0.00 0.02 0.00 0.00 177.57 176.10 1fi9 n GLN 12 N -3.11 0.01 -0.02 1.57 1.13 0.13 -4.42 117.38 112.66 1fi9 n GLN 12 Ca 0.03 -0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.03 1fi9 n GLN 12 Cb 0.59 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.51 0.14 0.00 -1.09 4.76 0.15 -5.01 118.16 115.60 1fi9 n LYS 13 Ca 0.04 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1fi9 n LYS 13 Cb 0.33 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 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 -1.59 0.00 -0.87 0.00 0.00 0.31 -3.80 120.51 114.56 1fi9 n ALA 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1fi9 n ALA 15 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 1.73 0.00 0.00 6.02 -1.26 -2.89 117.38 120.98 1fi9 n GLN 16 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 1fi9 n GLN 16 Cb 0.00 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.34 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 -1.07 2.41 -0.06 0.00 3.76 -1.14 -2.80 115.29 116.38 1fi9 s HIS 18 Ca 0.00 -0.36 -0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1fi9 s HIS 18 Cb 0.00 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1fi9 s HIS 18 CO 0.00 0.17 -0.06 2.41 -0.85 0.00 0.00 174.74 176.41 1fi9 n THR 19 N 1.71 0.34 -2.26 1.30 -1.04 -1.26 -4.11 114.28 108.96 1fi9 n THR 19 Ca -0.17 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 61.58 1fi9 n THR 19 Cb 0.52 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 68.12 1fi9 n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1fi9 n VAL 20 N -2.80 -0.56 -4.24 12.58 0.24 -1.26 -4.93 118.33 117.35 1fi9 n VAL 20 Ca -0.11 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 1fi9 n VAL 20 Cb 0.61 -1.91 -0.10 0.00 -1.47 0.00 0.00 33.84 30.97 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fi9 s GLU 21 N -4.73 1.03 -0.94 7.34 0.41 -1.26 -3.54 118.70 117.00 1fi9 s GLU 21 Ca 0.00 -1.39 -0.25 0.00 -0.41 0.00 0.00 54.97 52.91 1fi9 s GLU 21 Cb 0.00 -0.64 -0.12 0.00 -1.78 0.00 0.00 34.13 31.59 1fi9 s GLU 21 CO 0.00 0.09 2.15 0.21 -0.49 0.00 0.00 175.26 177.22 1fi9 s LYS 22 N -3.52 1.91 0.00 1.61 2.47 -1.26 -1.42 119.74 119.53 1fi9 s LYS 22 Ca 0.14 -0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.39 1fi9 s LYS 22 Cb 0.01 -4.97 0.00 0.00 -1.46 0.00 0.00 37.83 31.41 1fi9 s LYS 22 CO 0.01 -4.31 0.00 0.41 0.16 0.00 0.00 175.35 171.62 1fi9 n GLY 23 N 6.55 2.03 5.60 5.54 0.00 -1.26 -5.12 105.19 118.53 1fi9 n GLY 23 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1fi9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLY 24 N 0.00 2.03 0.00 -0.02 0.00 -0.50 -4.91 105.19 101.79 1fi9 n GLY 24 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 11.20 0.00 0.00 1.61 5.02 -1.26 -5.04 118.16 129.69 1fi9 n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fi9 n LYS 25 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fi9 n HIS 26 N -0.67 0.00 -2.77 2.13 8.25 -1.26 -3.79 115.22 117.12 1fi9 n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fi9 n HIS 26 Cb 0.00 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1fi9 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fi9 n LYS 27 N -1.69 0.00 -0.03 -0.41 5.02 -1.26 -4.27 118.16 115.51 1fi9 n LYS 27 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1fi9 n LYS 27 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1fi9 h THR 28 N 0.00 0.00 -3.63 -0.18 2.02 -1.90 -3.46 112.91 105.76 1fi9 h THR 28 Ca 0.00 -0.91 -0.51 0.00 0.77 0.00 0.00 66.41 65.76 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 0.28 -0.83 0.37 0.00 0.00 175.52 175.34 1fi9 s GLY 29 N -3.41 3.02 0.90 2.16 0.00 -1.12 -5.04 107.32 103.83 1fi9 s GLY 29 Ca -0.01 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 1fi9 s GLY 29 CO 0.02 1.11 1.09 2.56 0.00 0.00 0.00 173.10 177.88 1fi9 s PRO 30 N -0.94 1.24 -0.57 2.90 0.04 -1.26 -4.65 135.00 131.76 1fi9 s PRO 30 Ca 0.40 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1fi9 s PRO 30 Cb -0.24 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1fi9 s PRO 30 CO 0.29 -2.30 2.07 1.21 0.04 0.00 0.00 177.00 178.31 1fi9 s ASN 31 N -3.24 4.95 0.00 6.66 2.47 -1.25 -4.53 114.94 120.00 1fi9 s ASN 31 Ca 0.64 0.61 0.00 0.00 0.42 0.00 0.00 52.86 54.53 1fi9 s ASN 31 Cb -0.19 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1fi9 s ASN 31 CO 0.58 -2.58 1.11 0.18 -3.72 0.00 0.00 177.10 172.67 1fi9 n LEU 32 N 13.98 3.04 -1.94 3.21 4.32 -1.26 -4.47 117.00 133.88 1fi9 n LEU 32 Ca 0.27 -1.40 -0.15 0.00 -0.02 0.00 0.00 56.01 54.70 1fi9 n LEU 32 Cb 0.53 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1fi9 n LEU 32 CO 0.71 0.56 1.27 1.57 -1.22 0.00 0.00 177.39 180.28 1fi9 n HIS 33 N 1.35 1.22 0.00 -1.77 -0.00 -1.26 -3.56 115.22 111.20 1fi9 n HIS 33 Ca 0.00 -1.79 0.00 0.00 -0.00 0.00 0.00 57.72 55.93 1fi9 n HIS 33 Cb 0.33 -0.99 0.00 0.00 -0.00 0.00 0.00 29.99 29.33 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1fi9 n GLY 34 N 0.74 0.00 0.15 1.57 0.00 -1.21 -4.83 105.19 101.60 1fi9 n GLY 34 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.24 -8.60 0.99 5.85 -1.85 -3.39 115.31 108.07 1fi9 h LEU 35 Ca 0.00 -0.01 -0.55 0.00 0.84 0.00 0.00 57.88 58.16 1fi9 h LEU 35 Cb 0.00 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1fi9 h LEU 35 CO 0.00 -0.16 0.99 -0.36 -0.34 0.00 0.00 178.44 178.57 1fi9 s PHE 36 N -6.07 2.59 0.00 1.25 0.40 -1.25 -3.72 117.98 111.17 1fi9 s PHE 36 Ca -0.15 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 1fi9 s PHE 36 Cb 0.05 -4.50 0.00 0.00 0.51 0.00 0.00 43.02 39.08 1fi9 s PHE 36 CO 0.65 -1.61 0.00 0.41 0.70 0.00 0.00 175.22 175.37 1fi9 n GLY 37 N 5.06 1.27 3.75 4.36 0.00 -1.26 -4.92 105.19 113.45 1fi9 n GLY 37 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.05 1.64 0.20 1.61 6.06 -1.24 -5.12 118.95 122.04 1fi9 s ARG 38 Ca 0.00 -0.85 0.05 0.00 -2.50 0.00 0.00 55.73 52.43 1fi9 s ARG 38 Cb 0.00 0.59 -0.03 0.00 0.06 0.00 0.00 34.95 35.57 1fi9 s ARG 38 CO 0.00 -0.74 0.24 0.15 -2.50 0.00 0.00 175.30 172.44 1fi9 s LYS 39 N -3.84 3.15 0.14 5.12 3.01 -1.26 -4.02 119.74 122.04 1fi9 s LYS 39 Ca 0.09 -0.83 -0.27 0.00 -1.01 0.00 0.00 55.97 53.94 1fi9 s LYS 39 Cb -0.05 -2.75 -0.07 0.00 -1.01 0.00 0.00 37.83 33.95 1fi9 s LYS 39 CO 0.02 0.46 1.47 1.79 0.51 0.00 0.00 175.35 179.60 1fi9 h THR 40 N 1.61 0.00 0.00 2.17 1.35 -1.78 -1.38 112.91 114.88 1fi9 h THR 40 Ca -0.49 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 1fi9 h THR 40 Cb 1.22 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 1fi9 h THR 40 CO 0.63 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.48 1fi9 n GLY 41 N -1.24 2.05 2.70 5.82 0.00 -0.75 -4.52 105.19 109.26 1fi9 n GLY 41 Ca 0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 0.79 0.27 0.20 1.61 -1.52 -0.52 -4.98 119.66 115.51 1fi9 s GLN 42 Ca 0.11 -0.21 -0.14 0.00 -1.95 0.00 0.00 55.36 53.17 1fi9 s GLN 42 Cb 0.05 -0.85 0.01 0.00 -0.22 0.00 0.00 33.01 32.01 1fi9 s GLN 42 CO 0.00 -0.99 0.45 0.00 -0.25 0.00 0.00 175.29 174.50 1fi9 s ALA 43 N 2.29 -0.51 1.00 6.09 0.00 -1.26 -4.66 121.76 124.71 1fi9 s ALA 43 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1fi9 s ALA 43 Cb -0.15 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1fi9 s ALA 43 CO -0.32 -0.78 0.00 -0.35 0.00 0.00 0.00 175.76 174.32 1fi9 n PRO 44 N -0.32 0.49 -0.82 0.00 -0.04 -1.26 -4.82 135.00 128.23 1fi9 n PRO 44 Ca -0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.16 1fi9 n PRO 44 Cb 0.62 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 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 3.15 3.17 0.13 0.55 0.00 -1.26 -3.97 105.19 106.97 1fi9 n GLY 45 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 3.82 0.08 -1.36 1.61 7.35 -1.26 -5.12 117.46 122.58 1fi9 n PHE 46 Ca 0.48 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1fi9 n PHE 46 Cb 0.23 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.05 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 -3.64 -5.41 -4.30 -2.13 -1.04 -1.25 -5.11 114.28 91.39 1fi9 n THR 47 Ca -0.48 0.95 -0.25 0.00 -2.04 0.00 0.00 64.05 62.23 1fi9 n THR 47 Cb 0.95 -3.84 -0.09 0.00 -1.82 0.00 0.00 70.33 65.53 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1fi9 s TYR 48 N -0.18 2.57 0.60 -1.42 -0.85 -1.26 -5.10 117.35 111.72 1fi9 s TYR 48 Ca 0.00 -0.57 -0.13 0.00 -0.52 0.00 0.00 57.07 55.85 1fi9 s TYR 48 Cb 0.00 -1.80 -0.04 0.00 0.38 0.00 0.00 41.96 40.50 1fi9 s TYR 48 CO 0.00 0.32 1.02 0.99 -1.52 0.00 0.00 175.55 176.37 1fi9 s THR 49 N -2.60 4.46 0.27 -3.49 2.01 -1.26 -4.94 115.64 110.09 1fi9 s THR 49 Ca 0.38 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1fi9 s THR 49 Cb 0.04 -3.70 0.25 0.00 0.01 0.00 0.00 72.50 69.11 1fi9 s THR 49 CO 0.21 -0.90 1.77 0.44 -0.69 0.00 0.00 174.62 175.45 1fi9 h ASP 50 N 0.07 0.61 -1.31 3.53 3.32 -1.99 0.27 116.42 120.92 1fi9 h ASP 50 Ca -0.45 0.09 0.38 0.00 0.02 0.00 0.00 57.03 57.07 1fi9 h ASP 50 Cb 1.19 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 1fi9 h ASP 50 CO 0.61 0.27 0.92 0.00 -1.72 0.00 0.00 179.24 179.31 1fi9 h ALA 51 N 1.56 3.04 -0.88 3.45 0.00 -1.93 0.42 119.26 124.91 1fi9 h ALA 51 Ca 0.48 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.87 1fi9 h ALA 51 Cb 0.66 0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.29 1fi9 h ALA 51 CO -0.35 -1.47 0.65 -1.71 0.00 0.00 0.00 179.25 176.38 1fi9 n ASN 52 N -4.29 5.03 0.17 0.00 5.15 0.94 -3.96 115.26 118.30 1fi9 n ASN 52 Ca 0.30 -3.50 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1fi9 n ASN 52 Cb 1.34 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1fi9 n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fi9 n LYS 53 N -0.84 0.00 0.31 1.20 4.81 0.97 -1.81 118.16 122.79 1fi9 n LYS 53 Ca 0.54 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 58.17 1fi9 n LYS 53 Cb 1.22 0.00 1.02 0.00 0.02 0.00 0.00 35.03 37.29 1fi9 n LYS 53 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1fi9 h ASN 54 N 0.00 0.00 0.67 3.14 2.35 -0.61 -2.97 115.58 118.16 1fi9 h ASN 54 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1fi9 h ASN 54 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1fi9 h ASN 54 CO 0.00 0.00 -0.32 0.50 -1.65 0.00 0.00 177.43 175.96 1fi9 h LYS 55 N 0.00 -0.87 -4.96 0.81 3.64 -1.74 -3.48 116.57 109.97 1fi9 h LYS 55 Ca 0.00 0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.18 1fi9 h LYS 55 Cb 0.15 0.20 0.14 0.00 -0.41 0.00 0.00 32.23 32.31 1fi9 h LYS 55 CO 0.00 -0.56 -0.63 0.41 -2.27 0.00 0.00 179.45 176.40 1fi9 n GLY 56 N -0.62 -0.28 3.55 5.01 0.00 -1.12 -5.04 105.19 106.69 1fi9 n GLY 56 Ca -0.12 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.29 1.28 -0.11 -0.61 -5.25 -1.26 -4.95 121.20 107.00 1fi9 s ILE 57 Ca 0.05 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 57.70 1fi9 s ILE 57 Cb -0.01 -2.66 -0.03 0.00 2.95 0.00 0.00 42.46 42.72 1fi9 s ILE 57 CO 0.59 0.00 -0.08 0.42 -1.79 0.00 0.00 174.94 174.08 1fi9 s THR 58 N -3.07 3.58 -0.66 8.37 -4.23 -1.26 -2.62 115.64 115.74 1fi9 s THR 58 Ca 0.29 -0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 60.07 1fi9 s THR 58 Cb 0.07 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1fi9 s THR 58 CO 0.14 0.55 0.97 0.26 -0.54 0.00 0.00 174.62 176.00 1fi9 s TRP 59 N -0.15 2.66 -0.30 3.99 0.52 -1.26 -4.40 118.94 120.00 1fi9 s TRP 59 Ca 0.01 -0.53 0.19 0.00 0.02 0.00 0.00 56.10 55.79 1fi9 s TRP 59 Cb -0.13 -4.30 0.47 0.00 -1.15 0.00 0.00 33.47 28.36 1fi9 s TRP 59 CO 0.03 -1.66 1.05 0.36 0.02 0.00 0.00 176.95 176.75 1fi9 n LYS 60 N 7.76 1.36 0.00 4.98 2.85 -1.26 -3.93 118.16 129.92 1fi9 n LYS 60 Ca -0.04 -3.18 0.00 0.00 -1.05 0.00 0.00 58.31 54.04 1fi9 n LYS 60 Cb 0.45 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 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 -0.33 0.00 -0.02 -1.58 0.28 -1.26 -4.78 120.64 112.95 1fi9 n GLU 61 Ca 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.01 1fi9 n GLU 61 Cb 0.82 -0.03 -0.04 0.00 1.43 0.00 0.00 31.44 33.62 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 -0.20 -0.11 3.44 5.08 -1.93 0.33 114.58 121.18 1fi9 h GLU 62 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1fi9 h GLU 62 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1fi9 h GLU 62 CO 0.00 -0.13 0.04 1.15 -1.00 0.00 0.00 179.01 179.07 1fi9 h THR 63 N -0.21 0.98 -0.69 1.13 2.02 -1.86 -2.91 112.91 111.37 1fi9 h THR 63 Ca 0.02 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.31 1fi9 h THR 63 Cb 0.26 0.87 -0.11 0.00 -1.74 0.00 0.00 68.15 67.42 1fi9 h THR 63 CO -0.19 0.02 0.06 -0.07 0.37 0.00 0.00 175.52 175.71 1fi9 h LEU 64 N 0.10 -0.19 -1.51 2.58 4.07 -1.74 0.18 115.31 118.80 1fi9 h LEU 64 Ca 0.05 0.16 0.23 0.00 0.08 0.00 0.00 57.88 58.40 1fi9 h LEU 64 Cb 0.02 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 41.95 1fi9 h LEU 64 CO -0.05 -0.10 0.63 0.24 -1.08 0.00 0.00 178.44 178.08 1fi9 h MET 65 N 0.16 0.36 -0.37 1.13 2.86 -0.16 0.12 114.93 119.04 1fi9 h MET 65 Ca 0.38 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1fi9 h MET 65 Cb 0.64 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1fi9 h MET 65 CO -0.55 0.24 0.03 0.39 1.06 0.00 0.00 176.91 178.07 1fi9 n GLU 66 N -4.52 3.11 0.03 1.72 1.02 0.49 -4.25 120.64 118.24 1fi9 n GLU 66 Ca 0.21 -2.96 0.00 0.00 -0.02 0.00 0.00 57.16 54.39 1fi9 n GLU 66 Cb 0.78 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1fi9 n GLU 66 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1fi9 n TYR 67 N -0.42 -0.19 0.30 -0.32 9.36 0.22 -4.43 117.16 121.68 1fi9 n TYR 67 Ca 0.26 0.03 0.17 0.00 3.32 0.00 0.00 57.90 61.69 1fi9 n TYR 67 Cb 1.02 0.08 0.76 0.00 -0.63 0.00 0.00 39.34 40.56 1fi9 n TYR 67 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1fi9 h LEU 68 N 0.00 0.00 -3.25 2.98 3.38 -1.22 -1.56 115.31 115.64 1fi9 h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fi9 h LEU 68 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fi9 h LEU 68 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 1fi9 n GLU 69 N -2.91 3.10 0.00 1.13 0.00 -1.26 -3.93 120.64 116.77 1fi9 n GLU 69 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 57.16 54.36 1fi9 n GLU 69 Cb 0.24 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 29.85 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 -0.29 0.00 -0.15 4.31 3.02 -0.69 -4.80 115.26 116.66 1fi9 n ASN 70 Ca 0.21 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.65 1fi9 n ASN 70 Cb 0.88 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.04 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 0.86 -2.03 3.52 0.13 -1.56 -3.20 132.00 129.72 1fi9 h PRO 71 Ca 0.00 -0.34 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1fi9 h PRO 71 Cb 0.00 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.06 1fi9 h PRO 71 CO 0.00 0.98 -0.13 0.36 -0.23 0.00 0.00 178.00 178.98 1fi9 n LYS 72 N -4.26 1.30 0.03 0.86 -0.00 -1.26 -3.17 118.16 111.66 1fi9 n LYS 72 Ca -0.01 -0.37 0.00 0.00 -0.00 0.00 0.00 58.31 57.93 1fi9 n LYS 72 Cb 0.39 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 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 1.93 0.00 -1.09 -1.58 3.00 -1.21 -4.92 118.16 114.29 1fi9 n LYS 73 Ca 0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.14 1fi9 n LYS 73 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.62 1fi9 n LYS 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1fi9 n TYR 74 N -2.66 2.00 -2.07 5.64 4.02 -1.19 -4.64 117.16 118.25 1fi9 n TYR 74 Ca 0.00 -2.28 -0.01 0.00 -0.01 0.00 0.00 57.90 55.60 1fi9 n TYR 74 Cb 0.00 -1.96 -0.01 0.00 -0.02 0.00 0.00 39.34 37.35 1fi9 n TYR 74 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 1fi9 n ILE 75 N 4.67-10.48 -2.14 -0.72 0.00 -1.26 -4.77 119.36 104.66 1fi9 n ILE 75 Ca 0.53 2.29 -0.30 0.00 0.00 0.00 0.00 62.75 65.27 1fi9 n ILE 75 Cb 0.26 -5.42 -0.05 0.00 0.00 0.00 0.00 39.64 34.42 1fi9 n ILE 75 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1fi9 s PRO 76 N -0.93 2.70 0.00 9.51 0.04 -1.26 -3.95 135.00 141.10 1fi9 s PRO 76 Ca -0.05 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.72 1fi9 s PRO 76 Cb 0.00 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1fi9 s PRO 76 CO 0.14 -3.74 0.00 0.41 0.04 0.00 0.00 177.00 173.85 1fi9 n GLY 77 N 5.77 0.00 0.38 0.56 0.00 -1.26 -4.94 105.19 105.70 1fi9 n GLY 77 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 1fi9 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fi9 h THR 78 N 0.00 0.01 0.00 2.61 1.03 -1.89 -3.46 112.91 111.21 1fi9 h THR 78 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1fi9 h THR 78 Cb 0.02 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.11 1fi9 h THR 78 CO 0.00 0.00 0.00 2.29 -0.01 0.00 0.00 175.52 177.80 1fi9 n LYS 79 N -5.47 0.00 -2.55 0.00 2.85 -1.26 -4.98 118.16 106.75 1fi9 n LYS 79 Ca 0.10 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.30 1fi9 n LYS 79 Cb 0.40 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.80 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 0.00 -1.18 -0.04 -1.58 1.56 -1.26 -5.00 117.12 109.61 1fi9 n MET 80 Ca 0.00 0.77 -0.06 0.00 -0.27 0.00 0.00 57.70 58.14 1fi9 n MET 80 Cb 0.00 -4.20 -0.04 0.00 2.15 0.00 0.00 33.22 31.14 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 -2.15 0.46 -1.32 1.12 -5.35 -1.26 -5.02 119.36 105.84 1fi9 n ILE 81 Ca -0.03 -0.17 -0.29 0.00 -0.27 0.00 0.00 62.75 61.99 1fi9 n ILE 81 Cb 0.55 -0.90 0.23 0.00 -1.74 0.00 0.00 39.64 37.78 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fi9 n PHE 82 N -2.82 -3.92 0.06 4.28 3.72 -1.26 -5.03 117.46 112.49 1fi9 n PHE 82 Ca -0.15 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 1fi9 n PHE 82 Cb 0.65 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fi9 n ALA 83 N -4.52 1.18 -3.63 4.37 0.00 -1.26 -4.75 120.51 111.89 1fi9 n ALA 83 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1fi9 n ALA 83 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fi9 s GLY 84 N -3.18 -0.44 0.00 0.00 0.00 -1.26 -3.69 107.32 98.75 1fi9 s GLY 84 Ca 0.00 2.28 0.00 0.00 0.00 0.00 0.00 44.72 47.00 1fi9 s GLY 84 CO 0.00 1.89 0.95 1.39 0.00 0.00 0.00 173.10 177.34 1fi9 n ILE 85 N 2.84 0.00 0.13 0.90 2.08 -1.25 -4.91 119.36 119.15 1fi9 n ILE 85 Ca -0.15 1.45 0.00 0.00 0.56 0.00 0.00 62.75 64.62 1fi9 n ILE 85 Cb 0.56 -2.44 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 -1.89 0.00 0.17 0.38 5.02 -1.26 -5.04 118.16 115.54 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 -3.37 0.00 0.00 1.97 2.85 -1.26 -5.06 118.16 113.29 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 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -3.22 0.00 0.18 -1.58 2.85 -1.26 -4.97 118.16 110.16 1fi9 n LYS 88 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1fi9 n LYS 88 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 89 N 0.00 0.01 -0.33 0.58 2.02 -1.99 0.88 112.91 114.08 1fi9 h THR 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1fi9 h THR 89 Cb 0.00 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.39 1fi9 h THR 89 CO 0.00 0.00 0.11 -0.33 0.37 0.00 0.00 175.52 175.67 1fi9 h GLU 90 N -0.85 0.24 -1.00 6.66 3.07 -1.98 0.51 114.58 121.23 1fi9 h GLU 90 Ca -0.03 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.92 1fi9 h GLU 90 Cb 0.80 -0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.58 1fi9 h GLU 90 CO -0.20 0.16 0.64 -0.09 -1.40 0.00 0.00 179.01 178.11 1fi9 h ARG 91 N 0.24 1.01 0.17 2.33 2.43 -1.82 0.92 114.38 119.67 1fi9 h ARG 91 Ca 0.15 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1fi9 h ARG 91 Cb 0.13 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1fi9 h ARG 91 CO -0.16 0.67 -0.08 1.49 -1.51 0.00 0.00 179.97 180.38 1fi9 h GLU 92 N 1.04 -0.21 -0.89 0.20 4.22 0.20 -2.86 114.58 116.28 1fi9 h GLU 92 Ca 0.48 0.01 0.23 0.00 0.08 0.00 0.00 59.36 60.16 1fi9 h GLU 92 Cb 0.39 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 1fi9 h GLU 92 CO -0.23 0.15 0.33 -0.44 -2.18 0.00 0.00 179.01 176.63 1fi9 h ASP 93 N -0.62 0.19 -0.23 1.04 3.32 -0.50 0.38 116.42 120.01 1fi9 h ASP 93 Ca -0.02 0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1fi9 h ASP 93 Cb 0.46 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 1fi9 h ASP 93 CO 0.04 -0.08 -0.38 0.25 -1.72 0.00 0.00 179.24 177.35 1fi9 h LEU 94 N 0.31 -1.22 -0.73 1.55 6.46 -0.70 -0.85 115.31 120.12 1fi9 h LEU 94 Ca 0.56 0.18 0.14 0.00 -0.12 0.00 0.00 57.88 58.64 1fi9 h LEU 94 Cb 1.11 0.52 -0.09 0.00 -0.73 0.00 0.00 40.66 41.47 1fi9 h LEU 94 CO -0.58 -0.38 0.27 0.40 -0.62 0.00 0.00 178.44 177.53 1fi9 h ILE 95 N -0.40 0.65 -0.47 4.05 5.03 -0.73 -0.15 117.51 125.49 1fi9 h ILE 95 Ca 0.11 -0.14 0.09 0.00 -0.12 0.00 0.00 64.86 64.80 1fi9 h ILE 95 Cb 0.59 0.20 -0.08 0.00 -3.03 0.00 0.00 36.82 34.50 1fi9 h ILE 95 CO -0.45 0.07 -0.02 0.00 -0.68 0.00 0.00 178.15 177.08 1fi9 h ALA 96 N 1.54 0.42 0.53 1.87 0.00 -0.33 0.18 119.26 123.48 1fi9 h ALA 96 Ca 0.40 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1fi9 h ALA 96 Cb 0.61 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1fi9 h ALA 96 CO -0.41 -0.40 -0.26 -0.92 0.00 0.00 0.00 179.25 177.26 1fi9 h TYR 97 N 0.09 -0.66 -0.91 0.00 3.20 -0.88 -3.31 116.97 114.51 1fi9 h TYR 97 Ca 0.24 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.29 1fi9 h TYR 97 Cb 0.35 0.22 -0.17 0.00 1.54 0.00 0.00 36.73 38.67 1fi9 h TYR 97 CO -0.32 -0.41 -0.17 1.28 -1.64 0.00 0.00 178.16 176.90 1fi9 n LEU 98 N -4.02 -0.28 -0.32 2.82 4.32 -0.12 -0.02 117.00 119.38 1fi9 n LEU 98 Ca -0.09 1.56 -0.07 0.00 -0.02 0.00 0.00 56.01 57.39 1fi9 n LEU 98 Cb 0.28 -0.49 -0.03 0.00 -1.62 0.00 0.00 43.42 41.55 1fi9 n LEU 98 CO 0.21 -1.52 0.55 0.11 -1.22 0.00 0.00 177.39 175.52 1fi9 h LYS 99 N 0.00 -0.10 0.04 3.23 1.57 -0.75 0.17 116.57 120.73 1fi9 h LYS 99 Ca 0.46 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 59.01 1fi9 h LYS 99 Cb 0.77 0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.13 1fi9 h LYS 99 CO -0.92 -0.06 -0.97 0.87 -0.57 0.00 0.00 179.45 177.80 1fi9 h LYS 100 N -0.10 0.59 0.19 3.15 1.79 -0.54 -3.18 116.57 118.47 1fi9 h LYS 100 Ca 0.22 -0.69 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1fi9 h LYS 100 Cb 0.53 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 1fi9 h LYS 100 CO -0.85 1.28 -0.21 0.00 -1.08 0.00 0.00 179.45 178.59 1fi9 h ALA 101 N 0.33 -0.90 -0.40 3.86 0.00 -0.11 0.13 119.26 122.18 1fi9 h ALA 101 Ca -0.13 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1fi9 h ALA 101 Cb 1.65 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.85 1fi9 h ALA 101 CO 0.19 -0.91 -0.03 1.79 0.00 0.00 0.00 179.25 180.29 1fi9 h THR 102 N -0.41 0.67 -0.10 0.00 1.35 -0.73 -1.91 112.91 111.79 1fi9 h THR 102 Ca -0.02 -0.03 0.04 0.00 -0.55 0.00 0.00 66.41 65.85 1fi9 h THR 102 Cb 0.36 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 1fi9 h THR 102 CO -0.04 0.01 -0.26 -1.13 -0.25 0.00 0.00 175.52 173.86 1fi9 h ASN 103 N 0.07 -0.79 0.00 5.36 -0.73 -1.51 -3.21 115.58 114.78 1fi9 h ASN 103 Ca 0.19 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1fi9 h ASN 103 Cb 0.28 0.34 0.00 0.00 0.27 0.00 0.00 38.32 39.21 1fi9 h ASN 103 CO -0.35 -0.31 0.00 1.21 -0.37 0.00 0.00 177.43 177.61