#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhb s GLU -4 N 0.00 1.49 0.19 1.09 8.01 -1.26 -5.11 118.70 123.11 1fhb s GLU -4 Ca 0.00 -0.59 -0.32 0.00 0.01 0.00 0.00 54.97 54.07 1fhb s GLU -4 Cb 0.00 -1.38 -0.11 0.00 -4.31 0.00 0.00 34.13 28.33 1fhb s GLU -4 CO 0.00 0.31 1.63 0.12 0.01 0.00 0.00 175.26 177.32 1fhb s PHE -3 N -0.21 2.99 -0.24 1.61 5.36 -1.26 -5.00 117.98 121.23 1fhb s PHE -3 Ca 0.02 0.53 -0.08 0.00 -0.96 0.00 0.00 56.93 56.44 1fhb s PHE -3 Cb -0.08 -4.01 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 1fhb s PHE -3 CO 0.00 -3.76 0.09 0.15 -1.46 0.00 0.00 175.22 170.24 1fhb s LYS -2 N 1.06 3.76 0.42 10.12 1.02 -1.26 -5.10 119.74 129.77 1fhb s LYS -2 Ca 0.71 -0.43 -0.25 0.00 0.02 0.00 0.00 55.97 56.03 1fhb s LYS -2 Cb -0.46 -3.36 -0.08 0.00 -0.52 0.00 0.00 37.83 33.41 1fhb s LYS -2 CO 0.32 -0.10 1.20 0.00 -0.92 0.00 0.00 175.35 175.85 1fhb s ALA -1 N 1.39 3.12 0.07 5.17 0.00 -1.26 -4.74 121.76 125.52 1fhb s ALA -1 Ca 0.06 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1fhb s ALA -1 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1fhb s ALA -1 CO 0.04 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1fhb n GLY 1 N 0.60 1.78 3.90 0.00 0.00 -0.85 -4.88 105.19 105.73 1fhb n GLY 1 Ca 0.05 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1fhb n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fhb s SER 2 N -1.00 6.48 0.10 1.61 0.15 -1.26 -4.77 113.70 115.01 1fhb s SER 2 Ca 0.00 0.82 -0.15 0.00 0.70 0.00 0.00 55.95 57.32 1fhb s SER 2 Cb 0.00 -2.19 -0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1fhb s SER 2 CO 0.00 -0.23 1.40 0.00 1.20 0.00 0.00 173.24 175.61 1fhb h ALA 3 N 1.67 0.40 -2.38 5.45 0.00 -1.85 -3.33 119.26 119.22 1fhb h ALA 3 Ca -0.47 -0.42 -0.51 0.00 0.00 0.00 0.00 54.91 53.51 1fhb h ALA 3 Cb 1.19 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 19.02 1fhb h ALA 3 CO 0.66 0.44 0.34 0.15 0.00 0.00 0.00 179.25 180.84 1fhb s LYS 4 N -4.29 2.45 0.00 0.00 1.02 -1.26 -2.40 119.74 115.26 1fhb s LYS 4 Ca -0.12 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.16 1fhb s LYS 4 Cb 0.08 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1fhb s LYS 4 CO 0.83 -1.51 0.00 1.17 -0.92 0.00 0.00 175.35 174.92 1fhb n LYS 5 N -3.05 0.00 -0.34 1.68 4.81 -1.26 -4.52 118.16 115.48 1fhb n LYS 5 Ca 0.10 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.67 1fhb n LYS 5 Cb 0.52 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.90 1fhb n LYS 5 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1fhb h GLY 6 N 0.00 1.76 0.52 3.14 0.00 -1.66 0.11 103.07 106.95 1fhb h GLY 6 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1fhb h GLY 6 CO 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 176.54 176.35 1fhb h ALA 7 N 1.66 0.10 -0.85 3.60 0.00 -1.71 0.70 119.26 122.76 1fhb h ALA 7 Ca 0.58 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 1fhb h ALA 7 Cb 0.94 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1fhb h ALA 7 CO -0.41 -0.51 0.40 1.15 0.00 0.00 0.00 179.25 179.88 1fhb h THR 8 N -0.05 1.26 0.44 0.00 2.02 -1.19 0.64 112.91 116.03 1fhb h THR 8 Ca 0.11 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1fhb h THR 8 Cb 0.21 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1fhb h THR 8 CO -0.24 0.32 -0.21 -0.07 0.37 0.00 0.00 175.52 175.69 1fhb h LEU 9 N 1.21 -0.50 -0.49 2.58 -0.00 -0.66 -0.04 115.31 117.41 1fhb h LEU 9 Ca 0.29 -0.01 0.10 0.00 -0.00 0.00 0.00 57.88 58.25 1fhb h LEU 9 Cb 0.13 0.13 -0.10 0.00 -0.00 0.00 0.00 40.66 40.82 1fhb h LEU 9 CO -0.03 -0.32 -0.29 0.15 -0.00 0.00 0.00 178.44 177.95 1fhb h PHE 10 N -0.65 -0.77 -0.50 1.13 3.57 -0.57 0.14 116.94 119.29 1fhb h PHE 10 Ca -0.06 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1fhb h PHE 10 Cb 0.49 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1fhb h PHE 10 CO -0.03 -0.35 0.33 0.87 -2.23 0.00 0.00 178.31 176.89 1fhb h LYS 11 N -0.17 0.49 0.00 1.11 1.57 -0.58 0.20 116.57 119.19 1fhb h LYS 11 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1fhb h LYS 11 Cb 0.52 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1fhb h LYS 11 CO -0.59 0.33 -0.98 0.25 -0.57 0.00 0.00 179.45 177.88 1fhb n THR 12 N -4.47 0.09 0.01 -0.16 -2.24 -0.06 -4.42 114.28 103.03 1fhb n THR 12 Ca 0.06 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1fhb n THR 12 Cb 0.19 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1fhb n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fhb n ARG 13 N -1.79 0.11 0.00 -0.78 3.00 0.38 -4.90 116.66 112.68 1fhb n ARG 13 Ca 0.03 0.04 -0.22 0.00 -0.01 0.00 0.00 57.85 57.69 1fhb n ARG 13 Cb 0.40 -0.59 -0.14 0.00 0.00 0.00 0.00 32.46 32.13 1fhb n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1fhb h LEU 15 N -0.15 0.33 -0.72 0.00 5.85 -1.22 0.17 115.31 119.57 1fhb h LEU 15 Ca -0.37 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.48 1fhb h LEU 15 Cb 1.89 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.82 1fhb h LEU 15 CO 0.06 0.08 -0.37 1.67 -0.34 0.00 0.00 178.44 179.55 1fhb n GLN 16 N -4.50 -0.26 -0.06 1.25 7.27 -1.26 -3.48 117.38 116.35 1fhb n GLN 16 Ca 0.23 1.10 -0.07 0.00 0.07 0.00 0.00 57.00 58.33 1fhb n GLN 16 Cb 0.89 -1.62 -0.10 0.00 2.41 0.00 0.00 30.24 31.82 1fhb n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1fhb s HIS 18 N -2.30 1.72 0.06 0.00 3.76 0.01 -0.97 115.29 117.57 1fhb s HIS 18 Ca -0.07 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.02 1fhb s HIS 18 Cb 0.04 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1fhb s HIS 18 CO 0.50 -0.34 -0.08 0.95 -0.85 0.00 0.00 174.74 174.92 1fhb s THR 19 N -2.77 0.63 -0.21 1.30 -4.23 -1.26 -4.32 115.64 104.78 1fhb s THR 19 Ca 0.31 -1.28 -0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1fhb s THR 19 Cb -0.01 -0.87 -0.10 0.00 1.34 0.00 0.00 72.50 72.85 1fhb s THR 19 CO 0.19 -0.47 -0.24 0.55 -0.54 0.00 0.00 174.62 174.11 1fhb n VAL 20 N 1.14 1.14 -1.08 2.29 3.14 -1.26 -0.81 118.33 122.88 1fhb n VAL 20 Ca -0.20 -0.34 -0.30 0.00 -2.96 0.00 0.00 64.34 60.53 1fhb n VAL 20 Cb 0.56 -1.59 0.13 0.00 -1.06 0.00 0.00 33.84 31.88 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1fhb s GLU 21 N -2.38 1.47 0.47 1.45 1.03 -1.26 -3.80 118.70 115.68 1fhb s GLU 21 Ca -0.28 1.10 -0.23 0.00 0.03 0.00 0.00 54.97 55.59 1fhb s GLU 21 Cb 0.10 -1.81 -0.07 0.00 -0.80 0.00 0.00 34.13 31.55 1fhb s GLU 21 CO 0.39 -2.18 1.24 0.15 -1.33 0.00 0.00 175.26 173.54 1fhb s LYS 22 N -4.84 3.63 0.00 -4.83 1.02 -1.26 -3.73 119.74 109.73 1fhb s LYS 22 Ca 0.63 1.97 0.00 0.00 0.02 0.00 0.00 55.97 58.60 1fhb s LYS 22 Cb -0.19 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1fhb s LYS 22 CO 0.57 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1fhb n GLY 23 N 0.57 1.77 3.76 -3.33 0.00 -1.26 -5.05 105.19 101.65 1fhb n GLY 23 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1fhb n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fhb s GLY 24 N -2.10 2.85 0.68 -0.02 0.00 -1.24 -5.01 107.32 102.48 1fhb s GLY 24 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.83 1fhb s GLY 24 CO 0.00 1.95 1.06 2.56 0.00 0.00 0.00 173.10 178.67 1fhb s PRO 25 N -1.36 2.95 -1.17 2.90 0.04 -1.26 -4.65 135.00 132.45 1fhb s PRO 25 Ca 0.51 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 1fhb s PRO 25 Cb -0.39 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1fhb s PRO 25 CO 0.49 -1.09 1.87 -1.01 0.04 0.00 0.00 177.00 177.29 1fhb s HIS 26 N -2.94 2.16 0.00 0.56 3.76 -1.26 -4.46 115.29 113.12 1fhb s HIS 26 Ca 0.59 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1fhb s HIS 26 Cb -0.15 -4.22 0.00 0.00 1.11 0.00 0.00 32.58 29.32 1fhb s HIS 26 CO 0.52 -1.44 0.00 1.63 -0.85 0.00 0.00 174.74 174.60 1fhb n LYS 27 N 8.40 0.00 -0.12 1.40 5.02 -1.26 -4.77 118.16 126.83 1fhb n LYS 27 Ca 0.45 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.48 1fhb n LYS 27 Cb 0.47 -0.25 -0.11 0.00 -0.02 0.00 0.00 35.03 35.11 1fhb n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fhb n VAL 28 N 0.00 1.54 -4.08 -0.18 0.31 -0.56 -4.96 118.33 110.40 1fhb n VAL 28 Ca 0.00 -0.26 -0.23 0.00 -0.01 0.00 0.00 64.34 63.84 1fhb n VAL 28 Cb 0.00 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 30.97 1fhb n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1fhb s GLY 29 N -5.30 1.45 0.66 2.92 0.00 -0.15 -5.01 107.32 101.89 1fhb s GLY 29 Ca -0.34 -1.34 -0.13 0.00 0.00 0.00 0.00 44.72 42.91 1fhb s GLY 29 CO 0.54 -1.37 1.06 2.56 0.00 0.00 0.00 173.10 175.89 1fhb s PRO 30 N -3.71 3.05 0.03 2.90 0.04 -1.26 -4.44 135.00 131.62 1fhb s PRO 30 Ca 0.33 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1fhb s PRO 30 Cb -0.09 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1fhb s PRO 30 CO 0.25 -1.01 1.83 1.21 0.04 0.00 0.00 177.00 179.32 1fhb s ASN 31 N -3.35 6.53 -0.28 6.66 2.47 -1.26 -4.48 114.94 121.22 1fhb s ASN 31 Ca 0.61 2.54 -0.02 0.00 0.42 0.00 0.00 52.86 56.41 1fhb s ASN 31 Cb -0.15 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.25 1fhb s ASN 31 CO 0.47 -0.99 2.22 0.18 -3.72 0.00 0.00 177.10 175.26 1fhb n LEU 32 N 6.97 6.27 -4.79 3.21 4.77 0.01 -4.89 117.00 128.55 1fhb n LEU 32 Ca 0.18 -3.31 -0.37 0.00 -0.03 0.00 0.00 56.01 52.49 1fhb n LEU 32 Cb 0.41 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1fhb n LEU 32 CO 0.65 1.31 0.57 -2.28 -1.33 0.00 0.00 177.39 176.31 1fhb s HIS 33 N -1.43 3.74 -1.56 -1.77 2.46 -1.25 -4.10 115.29 111.38 1fhb s HIS 33 Ca 0.33 1.67 0.00 0.00 0.47 0.00 0.00 55.06 57.54 1fhb s HIS 33 Cb 0.24 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 1fhb s HIS 33 CO -0.04 0.31 0.00 0.41 -2.47 0.00 0.00 174.74 172.95 1fhb n GLY 34 N 0.82 1.18 0.06 1.59 0.00 -0.09 -4.86 105.19 103.89 1fhb n GLY 34 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fhb n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fhb h ILE 35 N 0.00 1.36 -1.73 -0.61 6.09 -1.82 -3.37 117.51 117.43 1fhb h ILE 35 Ca -0.32 -1.06 -0.57 0.00 -1.37 0.00 0.00 64.86 61.54 1fhb h ILE 35 Cb 1.02 2.07 -0.00 0.00 0.47 0.00 0.00 36.82 40.37 1fhb h ILE 35 CO 0.45 0.28 1.52 0.49 -3.07 0.00 0.00 178.15 177.82 1fhb n PHE 36 N -4.86 1.76 -0.81 2.19 3.72 -1.26 -0.95 117.46 117.25 1fhb n PHE 36 Ca -0.08 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1fhb n PHE 36 Cb 0.24 -2.67 0.00 0.00 -0.94 0.00 0.00 39.48 36.10 1fhb n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fhb n GLY 37 N 5.96 0.51 0.00 1.37 0.00 -0.33 -5.03 105.19 107.66 1fhb n GLY 37 Ca 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1fhb n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fhb n ARG 38 N -2.81 0.00 -3.83 1.61 3.00 -0.13 -5.03 116.66 109.48 1fhb n ARG 38 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1fhb n ARG 38 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 1fhb n ARG 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1fhb s GLN 39 N 0.68 1.95 -0.06 -0.14 -0.44 -1.19 -4.75 119.66 115.71 1fhb s GLN 39 Ca 0.00 -1.23 -0.19 0.00 -2.50 0.00 0.00 55.36 51.44 1fhb s GLN 39 Cb 0.00 0.56 -0.05 0.00 -1.64 0.00 0.00 33.01 31.88 1fhb s GLN 39 CO 0.00 -0.91 0.52 -1.54 0.50 0.00 0.00 175.29 173.86 1fhb s SER 40 N -3.12 6.82 0.00 6.67 1.04 0.15 -4.37 113.70 120.88 1fhb s SER 40 Ca 0.16 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1fhb s SER 40 Cb -0.05 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1fhb s SER 40 CO 0.09 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1fhb n GLY 41 N 2.73 0.39 0.00 7.32 0.00 -1.26 -4.68 105.19 109.70 1fhb n GLY 41 Ca -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1fhb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLN 42 N -0.68 1.61 -0.67 1.61 10.64 -1.26 -5.08 117.38 123.55 1fhb n GLN 42 Ca 0.00 -0.03 -0.30 0.00 -1.83 0.00 0.00 57.00 54.84 1fhb n GLN 42 Cb 0.29 -1.00 0.19 0.00 -0.86 0.00 0.00 30.24 28.86 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fhb s ALA 43 N -2.07 1.02 0.00 2.61 0.00 -1.26 -5.07 121.76 116.99 1fhb s ALA 43 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1fhb s ALA 43 Cb 0.03 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1fhb s ALA 43 CO 0.19 -3.01 0.00 0.39 0.00 0.00 0.00 175.76 173.33 1fhb n GLU 44 N -4.39 0.00 -1.76 0.00 1.02 -1.26 -4.80 120.64 109.45 1fhb n GLU 44 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.87 1fhb n GLU 44 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 1fhb n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fhb n GLY 45 N 5.00 2.05 3.03 0.62 0.00 -1.26 -4.85 105.19 109.78 1fhb n GLY 45 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1fhb n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fhb s TYR 46 N 7.34 -0.05 -1.19 1.61 5.04 -1.26 -4.98 117.35 123.85 1fhb s TYR 46 Ca 0.61 0.12 -0.21 0.00 -2.44 0.00 0.00 57.07 55.15 1fhb s TYR 46 Cb 0.07 -0.00 -0.00 0.00 0.35 0.00 0.00 41.96 42.37 1fhb s TYR 46 CO 0.11 -0.14 1.80 -1.54 -1.34 0.00 0.00 175.55 174.44 1fhb s SER 47 N -0.49 5.96 0.94 4.32 1.04 -1.26 -4.95 113.70 119.26 1fhb s SER 47 Ca -0.06 -1.89 0.00 0.00 0.48 0.00 0.00 55.95 54.49 1fhb s SER 47 Cb -0.04 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1fhb s SER 47 CO 0.00 -2.08 0.00 -1.22 0.98 0.00 0.00 173.24 170.93 1fhb n TYR 48 N 11.23 -3.90 -4.52 5.02 4.01 -1.26 -5.02 117.16 122.73 1fhb n TYR 48 Ca 0.45 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.98 1fhb n TYR 48 Cb 0.47 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.35 1fhb n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1fhb s THR 49 N -0.89 0.94 0.26 -0.72 -4.23 -1.26 -5.01 115.64 104.74 1fhb s THR 49 Ca 0.00 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1fhb s THR 49 Cb 0.00 -0.80 0.29 0.00 1.34 0.00 0.00 72.50 73.34 1fhb s THR 49 CO 0.00 0.27 1.64 -0.78 -0.54 0.00 0.00 174.62 175.21 1fhb h ASP 50 N 5.99 -0.18 0.29 3.99 3.58 -1.99 -1.21 116.42 126.90 1fhb h ASP 50 Ca -0.33 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1fhb h ASP 50 Cb 1.17 0.30 -0.04 0.00 1.72 0.00 0.00 39.33 42.49 1fhb h ASP 50 CO 0.49 -0.16 -0.52 0.00 -2.88 0.00 0.00 179.24 176.17 1fhb h ALA 51 N 1.74 -1.07 -0.32 -0.78 0.00 -1.91 0.13 119.26 117.05 1fhb h ALA 51 Ca 0.47 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1fhb h ALA 51 Cb 0.89 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1fhb h ALA 51 CO -0.65 -1.16 -0.06 -0.97 0.00 0.00 0.00 179.25 176.40 1fhb h ASN 52 N -0.88 -0.26 0.29 0.00 -0.73 -1.71 0.48 115.58 112.77 1fhb h ASN 52 Ca -0.03 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1fhb h ASN 52 Cb 0.82 0.18 -0.04 0.00 0.27 0.00 0.00 38.32 39.55 1fhb h ASN 52 CO -0.19 -0.09 -0.49 0.40 -0.37 0.00 0.00 177.43 176.69 1fhb h ILE 53 N 0.02 0.05 0.00 2.57 2.04 -0.98 -2.10 117.51 119.11 1fhb h ILE 53 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1fhb h ILE 53 Cb 0.23 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1fhb h ILE 53 CO -0.31 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 177.83 1fhb h LYS 54 N -0.84 0.00 -1.10 2.37 1.57 -0.50 -0.05 116.57 118.02 1fhb h LYS 54 Ca -0.02 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.27 1fhb h LYS 54 Cb 0.79 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.86 1fhb h LYS 54 CO -0.18 0.12 0.62 1.17 -0.57 0.00 0.00 179.45 180.61 1fhb n LYS 55 N -3.72 2.19 -1.41 3.15 3.00 0.14 -4.99 118.16 116.51 1fhb n LYS 55 Ca -0.02 -2.54 -0.44 0.00 -0.00 0.00 0.00 58.31 55.32 1fhb n LYS 55 Cb 0.23 -1.99 -0.14 0.00 0.00 0.00 0.00 35.03 33.12 1fhb n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1fhb n ASN 56 N -0.63 0.38 -4.37 3.14 6.94 -0.04 -4.92 115.26 115.76 1fhb n ASN 56 Ca 0.49 0.28 -0.33 0.00 -0.02 0.00 0.00 54.58 55.00 1fhb n ASN 56 Cb 1.03 -0.89 -0.14 0.00 -2.36 0.00 0.00 39.78 37.41 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1fhb s VAL 57 N 8.16 3.00 0.41 3.53 1.01 -1.26 -4.92 120.40 130.33 1fhb s VAL 57 Ca 1.29 -0.69 0.16 0.00 0.00 0.00 0.00 61.98 62.75 1fhb s VAL 57 Cb -1.28 -2.25 0.37 0.00 0.00 0.00 0.00 36.38 33.23 1fhb s VAL 57 CO 0.51 0.53 1.86 0.25 0.00 0.00 0.00 175.10 178.25 1fhb h LEU 58 N 6.58 0.45 -2.56 3.92 7.12 -1.91 0.41 115.31 129.33 1fhb h LEU 58 Ca -0.27 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1fhb h LEU 58 Cb 1.21 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1fhb h LEU 58 CO 0.55 0.19 -0.20 0.79 -0.13 0.00 0.00 178.44 179.63 1fhb n TRP 59 N -4.53 -2.13 -2.70 1.25 5.03 -1.26 -3.17 117.44 109.93 1fhb n TRP 59 Ca 0.19 0.84 -0.22 0.00 3.03 0.00 0.00 57.50 61.34 1fhb n TRP 59 Cb 0.66 -3.18 0.08 0.00 -1.03 0.00 0.00 31.31 27.84 1fhb n TRP 59 CO 0.00 0.00 0.00 0.16 -0.03 0.00 0.00 177.69 177.82 1fhb s ASP 60 N -2.27 4.75 0.14 -0.99 -4.77 -1.26 -1.19 116.67 111.08 1fhb s ASP 60 Ca 0.10 -0.38 -0.17 0.00 -3.30 0.00 0.00 52.55 48.79 1fhb s ASP 60 Cb -0.03 -0.17 -0.01 0.00 -1.09 0.00 0.00 42.92 41.62 1fhb s ASP 60 CO 0.49 -1.56 1.78 -0.33 0.70 0.00 0.00 175.17 176.25 1fhb h GLU 61 N -0.21 0.46 0.56 2.11 5.08 -1.99 -0.57 114.58 120.03 1fhb h GLU 61 Ca -0.36 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1fhb h GLU 61 Cb 1.28 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.43 1fhb h GLU 61 CO 0.43 0.34 -0.27 -0.97 -1.00 0.00 0.00 179.01 177.54 1fhb h ASN 62 N 0.45 -0.64 -0.32 1.42 -1.24 -1.98 0.24 115.58 113.52 1fhb h ASN 62 Ca 0.12 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.15 1fhb h ASN 62 Cb -0.01 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1fhb h ASN 62 CO -0.02 -0.42 0.17 0.78 -1.29 0.00 0.00 177.43 176.65 1fhb h ASN 63 N -0.81 0.27 -0.42 1.15 4.21 -1.96 -0.88 115.58 117.14 1fhb h ASN 63 Ca -0.08 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1fhb h ASN 63 Cb 0.60 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1fhb h ASN 63 CO 0.13 0.20 0.23 -0.03 -1.29 0.00 0.00 177.43 176.66 1fhb h MET 64 N 0.35 0.62 0.03 0.81 4.05 -1.01 -0.37 114.93 119.41 1fhb h MET 64 Ca 0.13 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1fhb h MET 64 Cb 0.02 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1fhb h MET 64 CO -0.07 0.47 -0.02 1.03 0.23 0.00 0.00 176.91 178.55 1fhb h SER 65 N 0.62 -0.04 -0.29 1.39 0.87 0.78 0.14 113.55 117.02 1fhb h SER 65 Ca 0.16 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1fhb h SER 65 Cb 0.05 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1fhb h SER 65 CO -0.02 0.04 0.15 -0.08 -0.53 0.00 0.00 176.83 176.39 1fhb h GLU 66 N -0.11 0.41 -0.15 2.24 4.22 -0.88 0.12 114.58 120.42 1fhb h GLU 66 Ca -0.00 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.42 1fhb h GLU 66 Cb 0.10 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1fhb h GLU 66 CO 0.01 0.37 -0.46 -0.92 -2.18 0.00 0.00 179.01 175.83 1fhb h TYR 67 N 0.34 -1.35 -0.95 0.92 3.20 -0.93 -0.17 116.97 118.04 1fhb h TYR 67 Ca 0.10 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.15 1fhb h TYR 67 Cb 0.09 0.61 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 1fhb h TYR 67 CO -0.03 -0.50 0.60 -0.07 -1.64 0.00 0.00 178.16 176.53 1fhb h LEU 68 N -0.51 0.81 -1.81 2.82 4.07 -0.51 0.20 115.31 120.38 1fhb h LEU 68 Ca 0.07 0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.12 1fhb h LEU 68 Cb 0.65 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1fhb h LEU 68 CO -0.43 0.42 0.22 0.74 -1.08 0.00 0.00 178.44 178.32 1fhb h THR 69 N 0.86 0.96 -0.49 0.22 2.02 0.93 0.36 112.91 117.77 1fhb h THR 69 Ca 0.47 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.61 1fhb h THR 69 Cb 0.59 0.70 -0.17 0.00 -1.74 0.00 0.00 68.15 67.52 1fhb h THR 69 CO -0.24 0.04 -0.24 0.54 0.37 0.00 0.00 175.52 176.00 1fhb s ASN 70 N -6.65 -0.75 0.00 4.18 6.03 0.28 -4.19 114.94 113.85 1fhb s ASN 70 Ca -0.06 -0.50 0.00 0.00 -1.03 0.00 0.00 52.86 51.26 1fhb s ASN 70 Cb 0.18 0.96 0.00 0.00 -3.03 0.00 0.00 41.25 39.36 1fhb s ASN 70 CO 0.71 -0.07 0.12 -0.81 -2.03 0.00 0.00 177.10 175.03 1fhb n PRO 71 N 3.65 0.18 0.00 3.55 -0.04 0.46 -1.71 135.00 141.08 1fhb n PRO 71 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1fhb n PRO 71 Cb 0.61 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1fhb n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1fhb n LYS 73 N 0.60 0.00 -0.20 0.54 4.81 -1.26 -0.43 118.16 122.22 1fhb n LYS 73 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1fhb n LYS 73 Cb 0.06 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.13 1fhb n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1fhb h TYR 74 N 0.00 1.17 -3.45 5.64 3.20 -1.67 -3.32 116.97 118.55 1fhb h TYR 74 Ca 0.00 -0.23 -0.71 0.00 3.14 0.00 0.00 58.73 60.93 1fhb h TYR 74 Cb 0.00 -0.30 -0.32 0.00 1.54 0.00 0.00 36.73 37.65 1fhb h TYR 74 CO 0.00 1.06 -0.40 0.42 -1.64 0.00 0.00 178.16 177.60 1fhb s ILE 75 N -4.93 3.91 -1.41 1.81 -1.09 0.43 -5.02 121.20 114.90 1fhb s ILE 75 Ca -0.12 -2.21 -0.14 0.00 -2.23 0.00 0.00 60.65 55.96 1fhb s ILE 75 Cb 0.13 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 1fhb s ILE 75 CO 0.86 -0.79 2.35 -0.81 -1.23 0.00 0.00 174.94 175.31 1fhb n PRO 76 N 4.39 2.87 0.00 2.79 -0.04 -1.25 -3.23 135.00 140.53 1fhb n PRO 76 Ca -0.01 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 1fhb n PRO 76 Cb 0.41 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1fhb n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fhb n GLY 77 N 4.03 0.00 3.93 0.55 0.00 -1.26 -4.90 105.19 107.53 1fhb n GLY 77 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 1fhb n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fhb s THR 78 N 0.00 5.36 0.14 2.61 -1.32 -1.20 -4.48 115.64 116.74 1fhb s THR 78 Ca 0.00 -0.46 0.33 0.00 -1.21 0.00 0.00 61.69 60.35 1fhb s THR 78 Cb 0.00 -3.67 0.37 0.00 -1.51 0.00 0.00 72.50 67.70 1fhb s THR 78 CO 0.00 0.06 1.98 0.50 -2.21 0.00 0.00 174.62 174.95 1fhb h LYS 79 N 2.77 0.00 -6.93 7.08 3.64 -1.95 -3.46 116.57 117.72 1fhb h LYS 79 Ca -0.46 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.39 1fhb h LYS 79 Cb 1.17 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.08 1fhb h LYS 79 CO 0.74 0.03 0.72 0.00 -2.27 0.00 0.00 179.45 178.66 1fhb s ALA 80 N -3.70 3.49 -0.29 5.00 0.00 -1.26 -5.01 121.76 119.99 1fhb s ALA 80 Ca 0.01 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1fhb s ALA 80 Cb 0.09 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.85 1fhb s ALA 80 CO 0.55 -0.93 0.72 0.00 0.00 0.00 0.00 175.76 176.10 1fhb s ALA 81 N -1.15 -2.77 0.30 0.00 0.00 -1.26 -4.98 121.76 111.90 1fhb s ALA 81 Ca 0.53 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.67 1fhb s ALA 81 Cb -0.44 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1fhb s ALA 81 CO 0.58 -1.73 0.62 -0.59 0.00 0.00 0.00 175.76 174.65 1fhb s PHE 82 N 2.87 0.23 -1.14 0.00 -0.71 -1.26 -5.07 117.98 112.90 1fhb s PHE 82 Ca 0.15 -0.67 -0.24 0.00 -1.04 0.00 0.00 56.93 55.13 1fhb s PHE 82 Cb -0.10 0.46 -0.13 0.00 -1.21 0.00 0.00 43.02 42.04 1fhb s PHE 82 CO -0.23 -1.22 2.00 0.20 -1.34 0.00 0.00 175.22 174.64 1fhb s GLY 83 N -3.03 -0.28 0.02 1.99 0.00 -1.26 -4.91 107.32 99.86 1fhb s GLY 83 Ca 0.18 -1.90 -0.28 0.00 0.00 0.00 0.00 44.72 42.73 1fhb s GLY 83 CO 0.10 3.81 0.73 0.61 0.00 0.00 0.00 173.10 178.35 1fhb n GLY 84 N 5.96 -0.37 2.68 0.20 0.00 -1.26 -4.75 105.19 107.65 1fhb n GLY 84 Ca 0.44 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.61 1fhb n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fhb n LEU 85 N 1.17 6.14 -0.04 0.99 4.77 0.13 -4.66 117.00 125.49 1fhb n LEU 85 Ca 0.15 -3.55 -0.12 0.00 -0.03 0.00 0.00 56.01 52.46 1fhb n LEU 85 Cb 0.08 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 39.77 1fhb n LEU 85 CO 0.45 0.87 0.58 0.11 -1.33 0.00 0.00 177.39 178.06 1fhb h LYS 86 N 6.29 -0.42 0.00 3.23 6.56 -1.81 -3.28 116.57 127.14 1fhb h LYS 86 Ca 0.59 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.21 1fhb h LYS 86 Cb 0.42 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1fhb h LYS 86 CO 1.76 -0.28 0.00 0.36 -2.06 0.00 0.00 179.45 179.23 1fhb n LYS 87 N -5.43 0.00 0.00 3.15 2.85 -1.26 -4.76 118.16 112.71 1fhb n LYS 87 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1fhb n LYS 87 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 1fhb n LYS 87 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1fhb n GLU 88 N -2.21 0.00 -0.17 -1.58 0.00 -1.24 -4.63 120.64 110.80 1fhb n GLU 88 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1fhb n GLU 88 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 31.44 31.63 1fhb n GLU 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1fhb h LYS 89 N 0.00 0.92 0.15 5.31 6.56 -1.93 -0.36 116.57 127.22 1fhb h LYS 89 Ca 0.00 -0.15 -0.36 0.00 -1.06 0.00 0.00 60.65 59.08 1fhb h LYS 89 Cb 0.00 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.49 1fhb h LYS 89 CO 0.00 0.75 -1.92 -0.44 -2.06 0.00 0.00 179.45 175.78 1fhb h ASP 90 N 0.91 0.48 -0.68 0.86 3.32 -1.98 -3.40 116.42 115.93 1fhb h ASP 90 Ca 0.21 -0.95 0.14 0.00 0.02 0.00 0.00 57.03 56.45 1fhb h ASP 90 Cb 0.18 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 39.44 1fhb h ASP 90 CO -0.02 1.84 -0.16 -0.09 -1.72 0.00 0.00 179.24 179.09 1fhb h ARG 91 N 0.08 0.00 -0.60 3.56 2.43 -1.75 -0.33 114.38 117.77 1fhb h ARG 91 Ca -0.40 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.85 1fhb h ARG 91 Cb 2.06 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.54 1fhb h ARG 91 CO 0.12 0.00 0.26 -2.95 -1.51 0.00 0.00 179.97 175.89 1fhb h ASN 92 N 0.00 0.32 0.70 -3.80 7.08 -1.29 0.24 115.58 118.83 1fhb h ASN 92 Ca 0.33 0.06 -0.03 0.00 -3.08 0.00 0.00 56.30 53.58 1fhb h ASN 92 Cb 0.51 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 1fhb h ASN 92 CO -0.70 0.20 -0.36 0.44 -2.08 0.00 0.00 177.43 174.93 1fhb h ASP 93 N 0.48 -0.88 -0.44 6.14 3.32 -1.44 -0.96 116.42 122.65 1fhb h ASP 93 Ca 0.29 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.47 1fhb h ASP 93 Cb 0.30 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.99 1fhb h ASP 93 CO -0.25 -0.60 -0.24 0.25 -1.72 0.00 0.00 179.24 176.68 1fhb h LEU 94 N -0.98 -0.81 -0.40 1.55 5.85 -0.71 0.87 115.31 120.67 1fhb h LEU 94 Ca -0.09 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1fhb h LEU 94 Cb 0.76 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1fhb h LEU 94 CO 0.14 -0.26 0.14 0.40 -0.34 0.00 0.00 178.44 178.52 1fhb h ILE 95 N -0.15 0.88 -0.46 4.05 2.04 -0.48 0.71 117.51 124.10 1fhb h ILE 95 Ca 0.21 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1fhb h ILE 95 Cb 0.48 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1fhb h ILE 95 CO -0.53 0.06 0.18 0.74 0.00 0.00 0.00 178.15 178.59 1fhb h THR 96 N 0.30 0.88 -0.09 -0.27 2.02 0.12 0.22 112.91 116.09 1fhb h THR 96 Ca 0.18 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1fhb h THR 96 Cb 0.17 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1fhb h THR 96 CO -0.19 0.07 -0.12 0.22 0.37 0.00 0.00 175.52 175.87 1fhb h TYR 97 N 0.36 -0.30 -0.31 3.16 3.20 -0.01 -1.63 116.97 121.44 1fhb h TYR 97 Ca 0.21 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.14 1fhb h TYR 97 Cb 0.19 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1fhb h TYR 97 CO -0.14 -0.18 0.08 1.25 -1.64 0.00 0.00 178.16 177.53 1fhb h LEU 98 N -0.16 0.05 -0.43 2.82 5.85 -0.43 0.17 115.31 123.18 1fhb h LEU 98 Ca 0.07 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1fhb h LEU 98 Cb 0.26 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1fhb h LEU 98 CO -0.19 0.06 -0.45 0.50 -0.34 0.00 0.00 178.44 178.03 1fhb h LYS 99 N 0.20 -0.31 0.74 1.25 3.64 -0.24 0.38 116.57 122.23 1fhb h LYS 99 Ca 0.14 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1fhb h LYS 99 Cb 0.14 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1fhb h LYS 99 CO -0.17 -0.21 -0.35 -0.22 -2.27 0.00 0.00 179.45 176.23 1fhb h LYS 100 N -0.32 -0.95 0.00 1.90 3.11 -0.98 -3.29 116.57 116.03 1fhb h LYS 100 Ca 0.14 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1fhb h LYS 100 Cb 0.58 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1fhb h LYS 100 CO -0.59 -0.64 0.08 0.00 -2.81 0.00 0.00 179.45 175.49 1fhb h ALA 101 N -1.43 1.07 -0.66 5.00 0.00 -0.14 0.18 119.26 123.28 1fhb h ALA 101 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1fhb h ALA 101 Cb 0.76 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1fhb h ALA 101 CO 0.17 -0.07 0.45 0.66 0.00 0.00 0.00 179.25 180.46 1fhb h SER 102 N 0.00 0.24 -0.02 0.00 4.64 -1.01 -3.45 113.55 113.95 1fhb h SER 102 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1fhb h SER 102 Cb 0.16 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1fhb h SER 102 CO 0.00 0.13 0.00 1.21 -0.87 0.00 0.00 176.83 177.30