#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 7.00 0.17 1.61 2.15 -1.26 -4.71 116.67 121.63 1fi9 s ASP 2 Ca 0.00 1.68 -0.12 0.00 0.43 0.00 0.00 52.55 54.54 1fi9 s ASP 2 Cb 0.00 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.15 1fi9 s ASP 2 CO 0.00 -0.70 1.75 0.58 -0.17 0.00 0.00 175.17 176.64 1fi9 h VAL 3 N 5.35 1.21 0.79 1.11 2.07 -1.85 0.15 116.25 125.09 1fi9 h VAL 3 Ca -0.28 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1fi9 h VAL 3 Cb 1.11 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1fi9 h VAL 3 CO 0.94 0.24 -0.38 -0.33 0.02 0.00 0.00 177.57 178.07 1fi9 h GLU 4 N 0.79 -1.02 -0.85 1.57 4.39 -1.93 0.71 114.58 118.25 1fi9 h GLU 4 Ca 0.20 0.07 0.06 0.00 0.34 0.00 0.00 59.36 60.03 1fi9 h GLU 4 Cb 0.12 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 1fi9 h GLU 4 CO -0.02 -0.67 0.53 0.87 -1.16 0.00 0.00 179.01 178.55 1fi9 h LYS 5 N -1.18 0.93 -0.67 2.33 1.57 -1.92 -0.97 116.57 116.66 1fi9 h LYS 5 Ca -0.11 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1fi9 h LYS 5 Cb 0.83 -0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.82 1fi9 h LYS 5 CO 0.18 0.61 0.05 0.78 -0.57 0.00 0.00 179.45 180.51 1fi9 h GLY 6 N 0.96 0.79 0.81 3.86 0.00 -0.39 0.36 103.07 109.46 1fi9 h GLY 6 Ca 0.37 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.76 1fi9 h GLY 6 CO -0.17 -0.21 -0.14 1.70 0.00 0.00 0.00 176.54 177.71 1fi9 h LYS 7 N 0.16 -0.29 -0.60 4.80 3.64 0.43 -0.74 116.57 123.97 1fi9 h LYS 7 Ca 0.36 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1fi9 h LYS 7 Cb 0.61 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1fi9 h LYS 7 CO -0.54 -0.19 0.00 0.87 -2.27 0.00 0.00 179.45 177.32 1fi9 h LYS 8 N -0.30 1.06 0.40 1.90 1.79 -0.34 -1.98 116.57 119.10 1fi9 h LYS 8 Ca 0.01 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.14 1fi9 h LYS 8 Cb 0.29 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1fi9 h LYS 8 CO -0.05 1.03 -0.41 0.82 -1.08 0.00 0.00 179.45 179.76 1fi9 h ILE 9 N 0.97 0.18 -0.83 1.86 2.04 -0.08 0.32 117.51 121.97 1fi9 h ILE 9 Ca 0.17 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.24 1fi9 h ILE 9 Cb 0.55 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 36.68 1fi9 h ILE 9 CO 0.03 0.00 0.21 0.15 0.00 0.00 0.00 178.15 178.54 1fi9 h PHE 10 N -0.83 0.31 -0.04 1.37 3.57 -0.96 0.26 116.94 120.62 1fi9 h PHE 10 Ca -0.03 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1fi9 h PHE 10 Cb 0.74 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1fi9 h PHE 10 CO -0.22 -0.16 -0.45 0.28 -2.23 0.00 0.00 178.31 175.52 1fi9 h VAL 11 N 0.23 1.33 0.00 1.41 2.07 -0.53 0.17 116.25 120.94 1fi9 h VAL 11 Ca 0.50 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1fi9 h VAL 11 Cb 0.95 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1fi9 h VAL 11 CO -0.61 0.46 -0.71 0.00 0.02 0.00 0.00 177.57 176.73 1fi9 n GLN 12 N -4.00 0.21 -0.08 1.57 6.02 0.10 -4.34 117.38 116.87 1fi9 n GLN 12 Ca -0.02 0.04 -0.17 0.00 -0.01 0.00 0.00 57.00 56.84 1fi9 n GLN 12 Cb 0.49 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1fi9 n LYS 13 N -1.90 0.37 0.00 -1.09 4.01 0.68 -4.99 118.16 115.23 1fi9 n LYS 13 Ca 0.03 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1fi9 n LYS 13 Cb 0.41 -1.12 0.00 0.00 -0.51 0.00 0.00 35.03 33.81 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 -1.87 0.00 -0.84 0.00 0.00 -0.54 -3.28 120.51 113.97 1fi9 n ALA 15 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1fi9 n ALA 15 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 1.78 0.00 0.00 1.13 -1.26 -2.84 117.38 116.19 1fi9 n GLN 16 Ca 0.00 -0.93 0.00 0.00 -1.94 0.00 0.00 57.00 54.13 1fi9 n GLN 16 Cb 0.00 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 28.37 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s HIS 18 N -1.87 2.93 0.07 0.00 3.76 -1.13 -0.35 115.29 118.70 1fi9 s HIS 18 Ca 0.00 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 1fi9 s HIS 18 Cb 0.00 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 1fi9 s HIS 18 CO 0.00 0.55 -0.11 0.99 -0.85 0.00 0.00 174.74 175.32 1fi9 s THR 19 N -2.04 0.90 -0.19 1.30 2.01 -1.26 -4.26 115.64 112.10 1fi9 s THR 19 Ca 0.31 -1.29 0.19 0.00 0.31 0.00 0.00 61.69 61.20 1fi9 s THR 19 Cb -0.08 -0.98 0.47 0.00 0.01 0.00 0.00 72.50 71.92 1fi9 s THR 19 CO 0.22 -0.33 1.16 1.33 -0.69 0.00 0.00 174.62 176.30 1fi9 n VAL 20 N 1.21 1.33 -4.08 3.82 0.24 -1.26 0.08 118.33 119.67 1fi9 n VAL 20 Ca -0.21 -2.74 -0.14 0.00 -2.04 0.00 0.00 64.34 59.22 1fi9 n VAL 20 Cb 0.55 0.51 -0.12 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.70 0.53 -1.04 7.34 0.41 -1.26 -3.97 118.70 118.01 1fi9 s GLU 21 Ca 0.35 -0.69 -0.20 0.00 -0.41 0.00 0.00 54.97 54.02 1fi9 s GLU 21 Cb 0.36 -0.34 -0.08 0.00 -1.78 0.00 0.00 34.13 32.29 1fi9 s GLU 21 CO -0.06 0.07 1.96 1.17 -0.49 0.00 0.00 175.26 177.90 1fi9 n LYS 22 N 1.65 1.93 0.00 1.61 0.00 -1.26 -1.91 118.16 120.19 1fi9 n LYS 22 Ca -0.21 -2.28 0.00 0.00 0.00 0.00 0.00 58.31 55.82 1fi9 n LYS 22 Cb 0.55 -3.24 0.00 0.00 0.00 0.00 0.00 35.03 32.34 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N 4.86 0.23 3.62 3.14 0.00 -1.26 -5.13 105.19 110.64 1fi9 n GLY 23 Ca 0.49 -0.01 -0.57 0.00 0.00 0.00 0.00 46.02 45.93 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 0.33 0.00 -0.02 0.00 -0.80 -4.98 105.19 99.72 1fi9 n GLY 24 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 3.11 1.40 0.00 1.61 5.02 -1.26 -4.71 118.16 123.32 1fi9 n LYS 25 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1fi9 n LYS 25 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 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 -0.59 0.00 -2.60 2.13 8.25 -1.26 -3.89 115.22 117.26 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 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.63 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 -1.93 0.00 -0.03 -0.41 5.02 -1.26 -4.00 118.16 115.55 1fi9 n LYS 27 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1fi9 n LYS 27 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 1.68 -3.60 -0.18 2.02 -1.94 -3.44 112.91 107.46 1fi9 h THR 28 Ca 0.00 -2.35 -0.64 0.00 0.77 0.00 0.00 66.41 64.19 1fi9 h THR 28 Cb 0.00 3.25 -0.14 0.00 -1.74 0.00 0.00 68.15 69.52 1fi9 h THR 28 CO 0.00 0.63 0.21 -0.83 0.37 0.00 0.00 175.52 175.91 1fi9 s GLY 29 N -4.24 1.68 -1.32 2.16 0.00 0.52 -4.97 107.32 101.16 1fi9 s GLY 29 Ca -0.17 -1.07 -0.16 0.00 0.00 0.00 0.00 44.72 43.32 1fi9 s GLY 29 CO 0.74 1.62 1.79 -1.55 0.00 0.00 0.00 173.10 175.70 1fi9 n PRO 30 N 6.39 3.18 -1.97 2.90 -0.04 -1.26 -4.13 135.00 140.08 1fi9 n PRO 30 Ca -0.00 -3.25 -0.13 0.00 -0.04 0.00 0.00 63.50 60.07 1fi9 n PRO 30 Cb 0.48 -3.36 0.01 0.00 -0.04 0.00 0.00 33.50 30.59 1fi9 n PRO 30 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1fi9 n ASN 31 N 7.29 -1.88 0.02 3.54 5.15 -1.25 -4.73 115.26 123.41 1fi9 n ASN 31 Ca 0.47 -0.08 0.20 0.00 -0.60 0.00 0.00 54.58 54.57 1fi9 n ASN 31 Cb 0.44 -0.55 0.47 0.00 -0.53 0.00 0.00 39.78 39.61 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1fi9 h LEU 32 N 0.72 0.00 -7.78 1.20 6.46 -0.60 -3.41 115.31 111.90 1fi9 h LEU 32 Ca -0.20 0.00 -0.75 0.00 -0.12 0.00 0.00 57.88 56.80 1fi9 h LEU 32 Cb 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1fi9 h LEU 32 CO 0.08 0.00 0.95 1.57 -0.62 0.00 0.00 178.44 180.42 1fi9 n HIS 33 N -3.17 1.32 -0.01 1.25 -0.00 -1.22 -0.42 115.22 112.96 1fi9 n HIS 33 Ca 0.12 0.87 0.00 0.00 0.46 0.00 0.00 57.72 59.17 1fi9 n HIS 33 Cb 1.09 -2.08 0.00 0.00 -0.12 0.00 0.00 29.99 28.87 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 5.43 0.56 0.45 1.57 0.00 -0.46 -5.01 105.19 107.74 1fi9 n GLY 34 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.06 -8.95 0.99 5.85 -1.00 -3.35 115.31 107.78 1fi9 h LEU 35 Ca 0.00 0.06 -0.57 0.00 0.84 0.00 0.00 57.88 58.21 1fi9 h LEU 35 Cb 0.00 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1fi9 h LEU 35 CO 0.00 -0.64 1.17 -0.36 -0.34 0.00 0.00 178.44 178.27 1fi9 s PHE 36 N -5.98 2.04 0.00 1.25 0.40 -1.26 -2.45 117.98 111.98 1fi9 s PHE 36 Ca -0.18 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1fi9 s PHE 36 Cb 0.04 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1fi9 s PHE 36 CO 0.61 -2.83 0.00 0.41 0.70 0.00 0.00 175.22 174.11 1fi9 n GLY 37 N 4.96 3.40 3.92 4.36 0.00 -1.26 -4.97 105.19 115.61 1fi9 n GLY 37 Ca 0.20 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 3.42 0.48 1.61 3.52 -1.02 -4.95 118.95 122.01 1fi9 s ARG 38 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1fi9 s ARG 38 Cb 0.00 -2.44 0.10 0.00 -1.56 0.00 0.00 34.95 31.05 1fi9 s ARG 38 CO 0.00 -0.19 0.66 1.63 -0.81 0.00 0.00 175.30 176.59 1fi9 n LYS 39 N -2.18 0.12 -0.79 5.12 5.02 -1.26 -3.99 118.16 120.20 1fi9 n LYS 39 Ca -0.00 -1.79 -0.29 0.00 -2.02 0.00 0.00 58.31 54.21 1fi9 n LYS 39 Cb 0.56 -0.45 0.23 0.00 -0.02 0.00 0.00 35.03 35.35 1fi9 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1fi9 s THR 40 N -1.98 1.87 -1.58 -0.18 -4.23 0.05 -4.05 115.64 105.53 1fi9 s THR 40 Ca 0.44 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1fi9 s THR 40 Cb -0.02 -2.25 0.08 0.00 1.34 0.00 0.00 72.50 71.64 1fi9 s THR 40 CO 0.29 0.00 0.49 0.61 -0.54 0.00 0.00 174.62 175.48 1fi9 n GLY 41 N 0.05 -0.30 3.01 3.99 0.00 -1.24 -4.77 105.19 105.93 1fi9 n GLY 41 Ca 0.06 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.90 0.31 -0.25 1.61 -1.52 -1.26 -4.84 119.66 106.82 1fi9 s GLN 42 Ca 0.34 0.67 -0.27 0.00 -1.95 0.00 0.00 55.36 54.15 1fi9 s GLN 42 Cb -0.19 -0.27 0.15 0.00 -0.22 0.00 0.00 33.01 32.48 1fi9 s GLN 42 CO 0.93 -0.50 1.15 0.00 -0.25 0.00 0.00 175.29 176.62 1fi9 s ALA 43 N 2.54 -2.03 0.71 6.09 0.00 -1.26 -4.93 121.76 122.88 1fi9 s ALA 43 Ca 0.07 1.75 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 1fi9 s ALA 43 Cb -0.14 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1fi9 s ALA 43 CO -0.14 -0.23 1.07 -1.25 0.00 0.00 0.00 175.76 175.20 1fi9 s PRO 44 N -0.43 2.78 -1.42 0.00 0.04 -1.26 -4.18 135.00 130.53 1fi9 s PRO 44 Ca 0.03 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1fi9 s PRO 44 Cb -0.03 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1fi9 s PRO 44 CO -0.06 -1.23 0.66 0.41 0.04 0.00 0.00 177.00 176.83 1fi9 n GLY 45 N -1.81 -0.32 3.62 0.56 0.00 -1.26 -4.97 105.19 101.01 1fi9 n GLY 45 Ca 0.08 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -3.67 -0.69 -0.38 1.61 2.19 -1.26 -4.77 117.98 111.01 1fi9 s PHE 46 Ca 0.20 1.63 0.04 0.00 0.33 0.00 0.00 56.93 59.13 1fi9 s PHE 46 Cb -0.10 0.31 0.33 0.00 -1.31 0.00 0.00 43.02 42.25 1fi9 s PHE 46 CO 0.85 -0.37 1.28 2.41 1.83 0.00 0.00 175.22 181.23 1fi9 n THR 47 N 2.34 1.71 -1.11 0.12 -1.04 -1.26 -4.87 114.28 110.17 1fi9 n THR 47 Ca -0.14 -0.78 0.14 0.00 -2.04 0.00 0.00 64.05 61.24 1fi9 n THR 47 Cb 0.55 -0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 68.40 1fi9 n THR 47 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1fi9 n TYR 48 N -0.04 -2.84 -0.26 -1.42 4.01 -1.26 -4.73 117.16 110.61 1fi9 n TYR 48 Ca 0.22 1.46 0.04 0.00 -0.16 0.00 0.00 57.90 59.46 1fi9 n TYR 48 Cb 0.90 -2.58 0.11 0.00 -0.31 0.00 0.00 39.34 37.46 1fi9 n TYR 48 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1fi9 n THR 49 N -3.74 1.20 0.00 -0.72 -1.04 -1.26 -5.03 114.28 103.69 1fi9 n THR 49 Ca -0.02 -1.18 0.00 0.00 -2.04 0.00 0.00 64.05 60.81 1fi9 n THR 49 Cb 0.51 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 1fi9 n THR 49 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1fi9 n ASP 50 N -0.10 0.00 -0.22 8.00 8.00 -1.26 -4.06 116.55 126.91 1fi9 n ASP 50 Ca 0.09 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.61 1fi9 n ASP 50 Cb 0.43 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.66 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fi9 h ALA 51 N 0.00 0.77 -0.34 2.24 0.00 -1.96 0.27 119.26 120.25 1fi9 h ALA 51 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1fi9 h ALA 51 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1fi9 h ALA 51 CO 0.00 -0.34 0.18 -2.95 0.00 0.00 0.00 179.25 176.14 1fi9 h ASN 52 N 0.23 0.43 -0.26 0.00 -1.07 -1.93 -2.70 115.58 110.28 1fi9 h ASN 52 Ca 0.35 -0.10 -0.02 0.00 0.07 0.00 0.00 56.30 56.60 1fi9 h ASN 52 Cb 0.57 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.69 1fi9 h ASN 52 CO -0.47 0.41 0.11 0.50 0.07 0.00 0.00 177.43 178.05 1fi9 h LYS 53 N 0.42 0.45 0.00 4.14 3.11 -1.40 0.12 116.57 123.42 1fi9 h LYS 53 Ca 0.12 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1fi9 h LYS 53 Cb 0.08 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1fi9 h LYS 53 CO -0.02 0.40 0.00 -1.71 -2.81 0.00 0.00 179.45 175.31 1fi9 n ASN 54 N -4.39 0.00 -0.05 4.20 2.85 0.80 -4.04 115.26 114.62 1fi9 n ASN 54 Ca 0.02 0.32 -0.02 0.00 -0.11 0.00 0.00 54.58 54.79 1fi9 n ASN 54 Cb 0.15 -0.43 -0.01 0.00 1.24 0.00 0.00 39.78 40.73 1fi9 n ASN 54 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1fi9 h LYS 55 N 0.00 0.00 -3.65 1.20 3.64 -0.64 -3.49 116.57 113.63 1fi9 h LYS 55 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1fi9 h LYS 55 Cb 0.32 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 32.22 1fi9 h LYS 55 CO 0.00 0.10 -0.34 0.41 -2.27 0.00 0.00 179.45 177.36 1fi9 n GLY 56 N 1.76 0.09 3.44 5.01 0.00 -1.23 -5.06 105.19 109.19 1fi9 n GLY 56 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.16 0.92 0.58 -0.61 -4.36 -1.26 -4.93 121.20 108.39 1fi9 s ILE 57 Ca 0.04 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.51 1fi9 s ILE 57 Cb -0.00 -2.66 0.08 0.00 1.25 0.00 0.00 42.46 41.13 1fi9 s ILE 57 CO 0.31 0.00 0.80 0.42 0.24 0.00 0.00 174.94 176.71 1fi9 s THR 58 N -3.37 2.22 -0.43 8.37 -4.23 -1.26 -0.77 115.64 116.16 1fi9 s THR 58 Ca 0.34 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1fi9 s THR 58 Cb 0.07 -2.27 0.19 0.00 1.34 0.00 0.00 72.50 71.82 1fi9 s THR 58 CO 0.15 0.00 0.39 0.79 -0.54 0.00 0.00 174.62 175.41 1fi9 n TRP 59 N -2.28 -0.43 -0.09 3.99 7.02 -1.26 -4.78 117.44 119.62 1fi9 n TRP 59 Ca 0.15 -3.44 -0.22 0.00 -1.02 0.00 0.00 57.50 52.96 1fi9 n TRP 59 Cb 0.61 0.07 -0.12 0.00 -2.42 0.00 0.00 31.31 29.45 1fi9 n TRP 59 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1fi9 n LYS 60 N 2.47 0.65 0.00 -0.99 2.85 -1.26 -4.19 118.16 117.69 1fi9 n LYS 60 Ca 0.28 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 1fi9 n LYS 60 Cb 0.48 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 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 -3.75 0.00 -0.05 -1.58 -0.00 -1.26 -5.01 120.64 108.99 1fi9 n GLU 61 Ca -0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 56.73 1fi9 n GLU 61 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 32.36 1fi9 n GLU 61 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1fi9 n GLU 62 N 0.00 -0.05 0.04 3.44 2.13 -1.26 0.12 120.64 125.05 1fi9 n GLU 62 Ca 0.00 0.83 -0.11 0.00 0.66 0.00 0.00 57.16 58.55 1fi9 n GLU 62 Cb 0.00 -1.25 -0.04 0.00 0.27 0.00 0.00 31.44 30.42 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1fi9 h THR 63 N 0.00 0.66 -0.58 6.31 2.02 -1.96 -3.06 112.91 116.30 1fi9 h THR 63 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.31 1fi9 h THR 63 Cb 0.05 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 1fi9 h THR 63 CO -0.11 0.00 0.09 0.25 0.37 0.00 0.00 175.52 176.12 1fi9 h LEU 64 N -0.21 -0.06 -0.59 2.58 6.46 -1.34 0.19 115.31 122.34 1fi9 h LEU 64 Ca 0.06 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 58.04 1fi9 h LEU 64 Cb 0.29 0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 40.28 1fi9 h LEU 64 CO -0.16 -0.02 -0.36 0.24 -0.62 0.00 0.00 178.44 177.52 1fi9 h MET 65 N 0.22 -0.17 -0.26 1.25 2.86 -0.22 0.97 114.93 119.57 1fi9 h MET 65 Ca 0.30 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.87 1fi9 h MET 65 Cb 0.46 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1fi9 h MET 65 CO -0.41 -0.11 -0.15 0.93 1.06 0.00 0.00 176.91 178.22 1fi9 h GLU 66 N -0.18 0.57 -0.59 1.72 5.08 -0.91 -0.31 114.58 119.96 1fi9 h GLU 66 Ca 0.22 -0.26 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 1fi9 h GLU 66 Cb 0.56 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 1fi9 h GLU 66 CO -0.69 0.83 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.08 1fi9 h TYR 67 N 0.29 -0.31 0.00 4.33 3.20 0.12 0.61 116.97 125.21 1fi9 h TYR 67 Ca 0.06 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 1fi9 h TYR 67 Cb 0.67 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1fi9 h TYR 67 CO 0.06 -0.25 -0.50 -0.07 -1.64 0.00 0.00 178.16 175.76 1fi9 h LEU 68 N -0.00 0.00 -0.12 2.82 3.38 -0.73 -2.23 115.31 118.43 1fi9 h LEU 68 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1fi9 h LEU 68 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1fi9 h LEU 68 CO -0.61 0.50 -0.16 1.21 0.09 0.00 0.00 178.44 179.48 1fi9 n GLU 69 N -3.53 0.38 -2.73 1.13 2.13 0.33 -3.74 120.64 114.61 1fi9 n GLU 69 Ca -0.00 -0.12 -0.09 0.00 0.66 0.00 0.00 57.16 57.61 1fi9 n GLU 69 Cb 0.60 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.90 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1fi9 n ASN 70 N -1.20 -2.33 -0.19 4.31 3.02 0.19 -4.85 115.26 114.20 1fi9 n ASN 70 Ca 0.11 -3.62 -0.01 0.00 -0.03 0.00 0.00 54.58 51.03 1fi9 n ASN 70 Cb 0.30 1.90 0.23 0.00 -0.61 0.00 0.00 39.78 41.60 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 3.01 0.94 -2.23 3.52 0.13 -1.61 -2.96 132.00 132.81 1fi9 h PRO 71 Ca -0.11 -0.10 -0.80 0.00 -0.87 0.00 0.00 66.00 64.12 1fi9 h PRO 71 Cb 1.10 -0.19 -0.26 0.00 0.13 0.00 0.00 31.00 31.78 1fi9 h PRO 71 CO 0.13 0.69 1.11 0.36 -0.23 0.00 0.00 178.00 180.06 1fi9 n LYS 72 N -4.37 4.94 0.03 0.86 0.00 -1.26 -4.41 118.16 113.96 1fi9 n LYS 72 Ca 0.07 -4.39 0.00 0.00 -0.00 0.00 0.00 58.31 53.98 1fi9 n LYS 72 Cb 0.10 -2.44 0.00 0.00 -0.00 0.00 0.00 35.03 32.69 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 -0.03 0.00 0.29 -1.58 3.00 -1.12 -4.95 118.16 113.77 1fi9 n LYS 73 Ca 0.49 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.62 1fi9 n LYS 73 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.19 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 -1.38 -2.89 5.64 -1.99 -1.77 -3.43 116.97 111.14 1fi9 h TYR 74 Ca 0.00 0.01 -0.22 0.00 2.00 0.00 0.00 58.73 60.52 1fi9 h TYR 74 Cb 0.00 0.54 -0.33 0.00 2.00 0.00 0.00 36.73 38.94 1fi9 h TYR 74 CO 0.00 -0.67 -0.54 -1.50 -0.00 0.00 0.00 178.16 175.46 1fi9 s ILE 75 N -5.88 -0.38 -1.41 -2.88 2.07 -1.26 -5.06 121.20 106.40 1fi9 s ILE 75 Ca -0.18 0.28 -0.12 0.00 -1.41 0.00 0.00 60.65 59.23 1fi9 s ILE 75 Cb 0.04 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 1fi9 s ILE 75 CO 0.61 0.12 2.55 -0.81 -1.91 0.00 0.00 174.94 175.49 1fi9 n PRO 76 N 5.28 3.06 -2.29 3.50 -0.04 -1.26 -3.65 135.00 139.59 1fi9 n PRO 76 Ca -0.07 -2.19 -0.02 0.00 -0.04 0.00 0.00 63.50 61.18 1fi9 n PRO 76 Cb 0.50 -2.91 0.08 0.00 -0.04 0.00 0.00 33.50 31.13 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 3.84 0.93 0.05 0.55 0.00 -1.26 -5.03 105.19 104.26 1fi9 n GLY 77 Ca 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.97 0.93 0.00 2.61 -1.04 -1.24 -4.85 114.28 109.72 1fi9 n THR 78 Ca -0.12 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1fi9 n THR 78 Cb 0.75 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 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 -3.78 0.00 -1.32 -2.82 2.85 -1.26 -5.15 118.16 106.68 1fi9 n LYS 79 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1fi9 n LYS 79 Cb 0.21 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 1fi9 n LYS 79 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1fi9 n MET 80 N -2.14 -3.37 0.00 -1.58 2.81 -1.26 -5.09 117.12 106.50 1fi9 n MET 80 Ca 0.00 2.50 0.00 0.00 -1.81 0.00 0.00 57.70 58.39 1fi9 n MET 80 Cb 0.00 -2.62 0.00 0.00 -0.71 0.00 0.00 33.22 29.89 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1fi9 n ILE 81 N 0.66 0.00 -3.61 2.02 -5.35 -1.26 -5.16 119.36 106.65 1fi9 n ILE 81 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.41 1fi9 n ILE 81 Cb 0.00 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 37.88 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 -1.56 -1.58 0.25 4.28 -1.74 -1.26 -5.07 117.46 110.78 1fi9 n PHE 82 Ca 0.00 -1.23 -0.14 0.00 -0.56 0.00 0.00 57.45 55.52 1fi9 n PHE 82 Cb 0.00 0.49 -0.07 0.00 1.52 0.00 0.00 39.48 41.42 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 1.94 -1.09 0.00 1.98 0.00 -1.97 -3.46 119.26 116.65 1fi9 h ALA 83 Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1fi9 h ALA 83 Cb 0.74 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1fi9 h ALA 83 CO 0.25 -1.10 0.00 0.41 0.00 0.00 0.00 179.25 178.81 1fi9 n GLY 84 N -1.43 -1.31 3.40 0.00 0.00 -1.26 -4.37 105.19 100.22 1fi9 n GLY 84 Ca -0.10 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 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 6.12 0.73 -0.34 -0.61 2.08 -1.25 -4.86 119.36 121.24 1fi9 n ILE 85 Ca 0.00 -0.30 0.03 0.00 0.56 0.00 0.00 62.75 63.04 1fi9 n ILE 85 Cb 0.00 -0.61 0.10 0.00 -0.75 0.00 0.00 39.64 38.37 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 -0.93 -0.13 -3.53 0.38 5.02 -1.26 -4.82 118.16 112.88 1fi9 n LYS 86 Ca 0.07 1.42 0.02 0.00 -2.02 0.00 0.00 58.31 57.80 1fi9 n LYS 86 Cb 0.52 -2.11 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 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 -5.44 0.17 -0.24 1.97 2.85 -1.26 -5.04 118.16 111.17 1fi9 n LYS 87 Ca 0.13 -0.65 0.02 0.00 -1.05 0.00 0.00 58.31 56.75 1fi9 n LYS 87 Cb 0.42 1.05 0.14 0.00 -0.65 0.00 0.00 35.03 35.99 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 0.56 -0.01 -1.58 5.09 -1.98 -1.15 116.57 117.50 1fi9 h LYS 88 Ca -0.17 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.54 1fi9 h LYS 88 Cb 0.93 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.13 1fi9 h LYS 88 CO 0.25 0.37 -0.07 1.15 -2.09 0.00 0.00 179.45 179.06 1fi9 h THR 89 N 0.58 0.00 -0.87 0.07 2.02 -1.99 -1.20 112.91 111.51 1fi9 h THR 89 Ca 0.35 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.73 1fi9 h THR 89 Cb 0.39 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.69 1fi9 h THR 89 CO -0.28 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.66 1fi9 h GLU 90 N -0.08 0.42 -0.80 6.66 3.07 -1.93 0.45 114.58 122.38 1fi9 h GLU 90 Ca 0.00 -0.03 0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1fi9 h GLU 90 Cb 0.09 -0.10 -0.10 0.00 -0.84 0.00 0.00 28.75 27.80 1fi9 h GLU 90 CO -0.05 0.28 0.36 0.00 -1.40 0.00 0.00 179.01 178.20 1fi9 h ARG 91 N 0.44 0.50 0.36 2.33 3.08 -0.59 0.59 114.38 121.08 1fi9 h ARG 91 Ca 0.53 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.53 1fi9 h ARG 91 Cb 0.95 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1fi9 h ARG 91 CO -0.49 0.33 -0.17 1.49 -1.07 0.00 0.00 179.97 180.06 1fi9 h GLU 92 N 0.51 -0.46 -0.70 0.04 4.22 0.29 -0.21 114.58 118.26 1fi9 h GLU 92 Ca 0.44 0.03 0.15 0.00 0.08 0.00 0.00 59.36 60.07 1fi9 h GLU 92 Cb 0.66 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 1fi9 h GLU 92 CO -0.39 -0.25 -0.04 -0.44 -2.18 0.00 0.00 179.01 175.70 1fi9 h ASP 93 N -0.57 -0.41 0.25 1.04 5.19 -1.08 0.12 116.42 120.96 1fi9 h ASP 93 Ca -0.05 0.19 0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1fi9 h ASP 93 Cb 0.42 0.35 -0.04 0.00 0.18 0.00 0.00 39.33 40.25 1fi9 h ASP 93 CO 0.08 -0.18 -0.45 0.25 -3.12 0.00 0.00 179.24 175.82 1fi9 h LEU 94 N 0.08 -1.29 -0.89 1.55 6.46 -0.33 -1.23 115.31 119.65 1fi9 h LEU 94 Ca 0.37 0.13 0.21 0.00 -0.12 0.00 0.00 57.88 58.47 1fi9 h LEU 94 Cb 0.62 0.46 -0.12 0.00 -0.73 0.00 0.00 40.66 40.89 1fi9 h LEU 94 CO -0.65 -0.55 0.41 0.40 -0.62 0.00 0.00 178.44 177.43 1fi9 h ILE 95 N -0.77 0.52 -0.18 4.05 5.03 -0.14 -0.48 117.51 125.53 1fi9 h ILE 95 Ca -0.01 -0.15 0.05 0.00 -0.12 0.00 0.00 64.86 64.63 1fi9 h ILE 95 Cb 0.74 0.04 -0.06 0.00 -3.03 0.00 0.00 36.82 34.50 1fi9 h ILE 95 CO -0.18 0.08 -0.26 0.00 -0.68 0.00 0.00 178.15 177.11 1fi9 h ALA 96 N 1.69 -0.22 0.82 1.87 0.00 0.39 0.14 119.26 123.94 1fi9 h ALA 96 Ca 0.55 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 1fi9 h ALA 96 Cb 1.01 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.32 1fi9 h ALA 96 CO -0.50 -0.71 -0.40 -0.92 0.00 0.00 0.00 179.25 176.72 1fi9 h TYR 97 N -0.30 -1.03 -0.84 0.00 3.20 -0.83 -3.26 116.97 113.91 1fi9 h TYR 97 Ca 0.12 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.17 1fi9 h TYR 97 Cb 0.48 0.34 -0.15 0.00 1.54 0.00 0.00 36.73 38.94 1fi9 h TYR 97 CO -0.38 -0.64 0.01 -0.07 -1.64 0.00 0.00 178.16 175.44 1fi9 h LEU 98 N -1.10 -0.40 -0.78 2.82 4.07 -0.80 0.17 115.31 119.29 1fi9 h LEU 98 Ca -0.11 0.23 0.13 0.00 0.08 0.00 0.00 57.88 58.21 1fi9 h LEU 98 Cb 0.85 0.40 -0.14 0.00 1.08 0.00 0.00 40.66 42.85 1fi9 h LEU 98 CO 0.18 -0.23 -0.32 0.11 -1.08 0.00 0.00 178.44 177.10 1fi9 h LYS 99 N 0.08 -0.07 0.34 1.13 1.57 -0.77 0.15 116.57 118.99 1fi9 h LYS 99 Ca 0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.24 1fi9 h LYS 99 Cb 0.88 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1fi9 h LYS 99 CO -0.76 -0.05 -0.16 -0.22 -0.57 0.00 0.00 179.45 177.69 1fi9 h LYS 100 N -0.07 -0.44 -0.63 3.15 1.63 -0.92 -3.34 116.57 115.96 1fi9 h LYS 100 Ca 0.31 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.27 1fi9 h LYS 100 Cb 0.58 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 32.19 1fi9 h LYS 100 CO -0.82 -0.20 -0.09 0.00 -3.45 0.00 0.00 179.45 174.90 1fi9 h ALA 101 N -0.91 0.51 0.00 5.00 0.00 -0.14 0.23 119.26 123.95 1fi9 h ALA 101 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1fi9 h ALA 101 Cb 0.44 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1fi9 h ALA 101 CO 0.08 -0.42 -0.06 1.79 0.00 0.00 0.00 179.25 180.64 1fi9 h THR 102 N 0.05 0.93 -0.03 0.00 1.35 -0.86 0.82 112.91 115.18 1fi9 h THR 102 Ca 0.31 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1fi9 h THR 102 Cb 0.50 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1fi9 h THR 102 CO -0.60 0.06 -0.00 -3.20 -0.25 0.00 0.00 175.52 171.53 1fi9 n ASN 103 N -4.30 2.81 0.00 5.36 2.85 0.64 -1.35 115.26 121.26 1fi9 n ASN 103 Ca -0.03 -1.94 0.00 0.00 -0.11 0.00 0.00 54.58 52.51 1fi9 n ASN 103 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1fi9 n ASN 103 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53