#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhb n GLU -4 N 0.00 0.19 -1.65 1.09 0.28 -1.26 -4.93 120.64 114.36 1fhb n GLU -4 Ca 0.00 0.08 -0.46 0.00 -0.16 0.00 0.00 57.16 56.62 1fhb n GLU -4 Cb 0.00 -0.82 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 1fhb n GLU -4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1fhb n PHE -3 N -3.47 2.00 -4.60 -1.84 -0.00 -1.26 -5.00 117.46 103.28 1fhb n PHE -3 Ca -0.15 0.45 -0.34 0.00 -0.00 0.00 0.00 57.45 57.41 1fhb n PHE -3 Cb 0.54 -2.44 -0.12 0.00 -0.00 0.00 0.00 39.48 37.47 1fhb n PHE -3 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 1fhb s LYS -2 N -0.05 3.04 0.34 -4.13 -2.85 -1.26 -5.10 119.74 109.72 1fhb s LYS -2 Ca 0.72 -0.56 -0.29 0.00 -1.00 0.00 0.00 55.97 54.84 1fhb s LYS -2 Cb -0.71 -2.67 -0.11 0.00 -2.06 0.00 0.00 37.83 32.29 1fhb s LYS -2 CO 0.47 0.50 1.38 0.00 0.10 0.00 0.00 175.35 177.81 1fhb s ALA -1 N -0.38 3.54 0.09 0.59 0.00 -1.26 -5.03 121.76 119.31 1fhb s ALA -1 Ca 0.05 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1fhb s ALA -1 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1fhb s ALA -1 CO 0.02 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1fhb n GLY 1 N 0.87 0.94 3.89 0.00 0.00 -1.26 -5.07 105.19 104.56 1fhb n GLY 1 Ca 0.01 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 6.47 0.17 1.61 0.15 -1.26 -4.99 113.70 114.86 1fhb s SER 2 Ca 0.00 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.60 1fhb s SER 2 Cb 0.00 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1fhb s SER 2 CO 0.00 -0.33 1.41 0.00 1.20 0.00 0.00 173.24 175.52 1fhb h ALA 3 N 1.34 0.57 -2.26 5.45 0.00 -1.88 -3.31 119.26 119.18 1fhb h ALA 3 Ca -0.47 -0.66 -0.46 0.00 0.00 0.00 0.00 54.91 53.32 1fhb h ALA 3 Cb 1.19 -0.06 0.12 0.00 0.00 0.00 0.00 17.79 19.03 1fhb h ALA 3 CO 0.64 0.83 0.36 0.15 0.00 0.00 0.00 179.25 181.23 1fhb s LYS 4 N -3.42 1.52 0.00 0.00 1.02 -1.26 -3.90 119.74 113.69 1fhb s LYS 4 Ca -0.04 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1fhb s LYS 4 Cb 0.10 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1fhb s LYS 4 CO 0.83 -1.81 0.00 1.17 -0.92 0.00 0.00 175.35 174.62 1fhb n LYS 5 N -3.37 0.00 -0.32 1.68 4.81 -1.26 -4.27 118.16 115.43 1fhb n LYS 5 Ca 0.11 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.69 1fhb n LYS 5 Cb 0.60 0.00 0.37 0.00 0.02 0.00 0.00 35.03 36.03 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 1.47 0.61 3.14 0.00 -1.77 0.60 103.07 107.12 1fhb h GLY 6 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1fhb h GLY 6 CO 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 176.54 176.45 1fhb h ALA 7 N 1.62 0.04 -0.47 3.60 0.00 -1.74 0.12 119.26 122.42 1fhb h ALA 7 Ca 0.53 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 1fhb h ALA 7 Cb 0.93 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1fhb h ALA 7 CO -0.30 -0.53 0.29 1.15 0.00 0.00 0.00 179.25 179.86 1fhb h THR 8 N -0.08 1.14 0.06 0.00 2.02 -1.41 0.15 112.91 114.79 1fhb h THR 8 Ca 0.08 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1fhb h THR 8 Cb 0.20 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1fhb h THR 8 CO -0.19 0.14 -0.16 -0.07 0.37 0.00 0.00 175.52 175.62 1fhb h LEU 9 N 0.62 -0.45 -0.40 2.58 -0.00 -0.62 0.17 115.31 117.21 1fhb h LEU 9 Ca 0.17 0.06 0.08 0.00 -0.00 0.00 0.00 57.88 58.19 1fhb h LEU 9 Cb -0.02 0.18 -0.09 0.00 -0.00 0.00 0.00 40.66 40.73 1fhb h LEU 9 CO -0.03 -0.23 -0.19 0.15 -0.00 0.00 0.00 178.44 178.14 1fhb h PHE 10 N -0.29 -0.48 -0.52 1.13 3.57 -0.52 -0.79 116.94 119.04 1fhb h PHE 10 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1fhb h PHE 10 Cb 0.33 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1fhb h PHE 10 CO -0.18 -0.27 0.33 0.87 -2.23 0.00 0.00 178.31 176.83 1fhb h LYS 11 N -0.12 0.69 -0.55 1.11 1.57 -0.06 0.17 116.57 119.38 1fhb h LYS 11 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1fhb h LYS 11 Cb 0.42 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1fhb h LYS 11 CO -0.48 0.46 0.00 0.25 -0.57 0.00 0.00 179.45 179.11 1fhb n THR 12 N -4.45 0.73 0.00 -0.16 -2.24 0.53 -4.51 114.28 104.18 1fhb n THR 12 Ca 0.05 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1fhb n THR 12 Cb 0.06 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.16 0.00 -0.03 -0.78 1.74 -0.38 -4.97 116.66 113.39 1fhb n ARG 13 Ca 0.19 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 1fhb n ARG 13 Cb 0.48 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.84 1fhb n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fhb h LEU 15 N 0.07 0.16 -0.85 0.00 5.85 -1.39 0.17 115.31 119.32 1fhb h LEU 15 Ca -0.02 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1fhb h LEU 15 Cb 1.06 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.98 1fhb h LEU 15 CO 0.09 0.01 -0.51 -0.61 -0.34 0.00 0.00 178.44 177.08 1fhb h GLN 16 N 0.12 -0.09 0.00 1.25 4.15 -1.78 -3.31 115.11 115.46 1fhb h GLN 16 Ca 0.62 0.01 -0.28 0.00 0.77 0.00 0.00 58.65 59.76 1fhb h GLN 16 Cb 2.14 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.80 1fhb h GLN 16 CO -0.13 -0.06 -2.05 0.00 -1.93 0.00 0.00 178.83 174.66 1fhb s HIS 18 N -2.37 1.74 0.04 0.00 3.76 0.20 -0.96 115.29 117.71 1fhb s HIS 18 Ca -0.09 -0.81 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 1fhb s HIS 18 Cb 0.05 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1fhb s HIS 18 CO 0.62 -0.42 -0.03 0.95 -0.85 0.00 0.00 174.74 175.00 1fhb s THR 19 N -2.74 0.23 0.00 1.30 -4.23 -1.26 -4.44 115.64 104.50 1fhb s THR 19 Ca 0.35 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1fhb s THR 19 Cb -0.02 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1fhb s THR 19 CO 0.22 -0.81 0.50 0.55 -0.54 0.00 0.00 174.62 174.54 1fhb n VAL 20 N 0.62 0.19 -1.30 2.29 3.14 -1.26 -0.52 118.33 121.50 1fhb n VAL 20 Ca -0.17 -0.47 -0.31 0.00 -2.96 0.00 0.00 64.34 60.43 1fhb n VAL 20 Cb 0.59 1.09 0.09 0.00 -1.06 0.00 0.00 33.84 34.55 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 -0.19 2.20 -0.27 1.45 -1.05 -1.26 -4.19 118.70 115.39 1fhb s GLU 21 Ca 0.00 1.08 -0.38 0.00 -0.15 0.00 0.00 54.97 55.52 1fhb s GLU 21 Cb 0.00 -1.90 -0.14 0.00 -0.44 0.00 0.00 34.13 31.66 1fhb s GLU 21 CO 0.00 -1.66 1.92 1.63 0.95 0.00 0.00 175.26 178.10 1fhb n LYS 22 N -3.52 1.32 0.00 -4.83 5.02 -1.26 -3.55 118.16 111.33 1fhb n LYS 22 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1fhb n LYS 22 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1fhb n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fhb n GLY 23 N 5.05 1.78 1.52 0.72 0.00 -1.26 -4.92 105.19 108.08 1fhb n GLY 23 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1fhb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLY 24 N 0.00 -4.23 3.70 -0.02 0.00 -1.23 -4.59 105.19 98.81 1fhb n GLY 24 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1fhb n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fhb s PRO 25 N -4.79 4.22 -1.56 1.61 0.04 -1.26 -4.67 135.00 128.59 1fhb s PRO 25 Ca 0.00 2.27 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1fhb s PRO 25 Cb 0.00 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1fhb s PRO 25 CO 0.00 -0.68 2.77 0.72 0.04 0.00 0.00 177.00 179.86 1fhb n HIS 26 N 5.20 2.60 0.00 0.56 8.25 -1.26 -4.40 115.22 126.16 1fhb n HIS 26 Ca 0.15 -3.04 0.00 0.00 -0.26 0.00 0.00 57.72 54.57 1fhb n HIS 26 Cb 0.41 -2.41 0.00 0.00 1.12 0.00 0.00 29.99 29.11 1fhb n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fhb n LYS 27 N 3.66 0.00 -0.09 -0.41 5.02 -1.25 -4.19 118.16 120.90 1fhb n LYS 27 Ca 0.72 0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 57.62 1fhb n LYS 27 Cb 0.26 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.25 0.98 -4.25 -0.18 0.31 -0.18 -5.05 118.33 107.71 1fhb n VAL 28 Ca 0.00 -0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 63.81 1fhb n VAL 28 Cb 0.00 -1.52 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 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 -5.43 1.62 0.55 2.92 0.00 -0.13 -5.02 107.32 101.83 1fhb s GLY 29 Ca -0.24 -1.62 -0.20 0.00 0.00 0.00 0.00 44.72 42.66 1fhb s GLY 29 CO 0.34 -1.67 1.18 2.56 0.00 0.00 0.00 173.10 175.51 1fhb s PRO 30 N -3.71 3.23 0.36 2.90 0.04 -1.26 -4.43 135.00 132.13 1fhb s PRO 30 Ca 0.32 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1fhb s PRO 30 Cb -0.06 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1fhb s PRO 30 CO 0.21 -0.98 1.49 1.21 0.04 0.00 0.00 177.00 178.97 1fhb s ASN 31 N -1.60 6.37 -0.21 6.66 3.84 -1.26 -4.60 114.94 124.14 1fhb s ASN 31 Ca 0.74 3.02 0.15 0.00 0.21 0.00 0.00 52.86 56.98 1fhb s ASN 31 Cb -0.28 -2.66 0.64 0.00 -0.55 0.00 0.00 41.25 38.39 1fhb s ASN 31 CO 0.32 -0.86 1.55 0.18 -2.79 0.00 0.00 177.10 175.49 1fhb n LEU 32 N 0.74 4.62 -4.77 3.21 4.77 0.32 -4.93 117.00 120.96 1fhb n LEU 32 Ca 0.02 -3.03 -0.38 0.00 -0.03 0.00 0.00 56.01 52.59 1fhb n LEU 32 Cb 0.39 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1fhb n LEU 32 CO 0.63 0.68 0.79 -2.28 -1.33 0.00 0.00 177.39 175.89 1fhb s HIS 33 N -2.84 3.25 -1.63 -1.77 2.46 -1.26 -3.14 115.29 110.36 1fhb s HIS 33 Ca 0.47 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.62 1fhb s HIS 33 Cb 0.37 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 29.55 1fhb s HIS 33 CO 0.11 -0.91 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 1fhb n GLY 34 N 0.66 1.47 0.23 1.59 0.00 0.89 -4.85 105.19 105.17 1fhb n GLY 34 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 1.17 -2.93 -0.61 6.09 -1.78 -3.29 117.51 116.16 1fhb h ILE 35 Ca -0.32 -0.78 -0.55 0.00 -1.37 0.00 0.00 64.86 61.84 1fhb h ILE 35 Cb 1.16 1.29 -0.07 0.00 0.47 0.00 0.00 36.82 39.68 1fhb h ILE 35 CO 0.46 0.24 1.06 -0.36 -3.07 0.00 0.00 178.15 176.47 1fhb s PHE 36 N -4.65 2.40 0.00 2.19 0.40 -1.26 -3.79 117.98 113.26 1fhb s PHE 36 Ca -0.05 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 1fhb s PHE 36 Cb 0.15 -4.45 0.00 0.00 0.51 0.00 0.00 43.02 39.24 1fhb s PHE 36 CO 0.72 -1.85 0.00 0.41 0.70 0.00 0.00 175.22 175.20 1fhb n GLY 37 N 5.19 2.44 3.65 4.36 0.00 0.37 -5.02 105.19 116.19 1fhb n GLY 37 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1fhb n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fhb s ARG 38 N -0.22 4.18 0.98 1.61 1.81 -1.24 -4.91 118.95 121.16 1fhb s ARG 38 Ca 0.00 1.38 -0.14 0.00 -1.72 0.00 0.00 55.73 55.25 1fhb s ARG 38 Cb 0.00 -3.72 0.01 0.00 -0.45 0.00 0.00 34.95 30.79 1fhb s ARG 38 CO 0.00 -0.75 0.10 0.94 -0.68 0.00 0.00 175.30 174.90 1fhb n GLN 39 N 6.61 -0.38 -2.02 3.54 7.27 -1.21 -4.60 117.38 126.59 1fhb n GLN 39 Ca 0.13 -0.08 -0.35 0.00 0.07 0.00 0.00 57.00 56.76 1fhb n GLN 39 Cb 0.46 -1.67 0.03 0.00 2.41 0.00 0.00 30.24 31.47 1fhb n GLN 39 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1fhb s SER 40 N -1.79 5.24 -0.86 1.69 1.04 0.19 -4.09 113.70 115.11 1fhb s SER 40 Ca 0.53 2.32 -0.02 0.00 0.48 0.00 0.00 55.95 59.27 1fhb s SER 40 Cb -0.19 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.32 1fhb s SER 40 CO 0.70 -1.56 0.73 0.61 0.98 0.00 0.00 173.24 174.70 1fhb n GLY 41 N 0.37 -0.33 0.98 7.32 0.00 -1.26 -4.77 105.19 107.50 1fhb n GLY 41 Ca 0.13 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.16 0.32 -0.03 1.61 10.64 -1.26 -5.06 117.38 120.44 1fhb n GLN 42 Ca -0.16 -1.94 0.00 0.00 -1.83 0.00 0.00 57.00 53.07 1fhb n GLN 42 Cb 0.61 -0.48 0.00 0.00 -0.86 0.00 0.00 30.24 29.51 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fhb n ALA 43 N -0.02 0.00 -1.04 2.61 0.00 -1.26 -5.10 120.51 115.70 1fhb n ALA 43 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1fhb n ALA 43 Cb 0.92 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.38 1fhb n ALA 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1fhb n GLU 44 N -0.09 -0.54 -1.05 0.00 -0.00 -1.26 -4.86 120.64 112.84 1fhb n GLU 44 Ca 0.00 -0.14 -0.17 0.00 -0.00 0.00 0.00 57.16 56.85 1fhb n GLU 44 Cb 0.00 -0.11 -0.14 0.00 -0.00 0.00 0.00 31.44 31.19 1fhb n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1fhb n GLY 45 N 3.34 3.21 3.96 -1.84 0.00 -1.26 -4.89 105.19 107.72 1fhb n GLY 45 Ca 0.01 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 1.23 3.00 -1.14 1.61 6.14 -1.26 -4.97 117.35 121.96 1fhb s TYR 46 Ca 0.67 0.13 -0.23 0.00 0.64 0.00 0.00 57.07 58.28 1fhb s TYR 46 Cb 0.29 -2.64 -0.10 0.00 0.42 0.00 0.00 41.96 39.94 1fhb s TYR 46 CO -0.01 -0.74 1.93 -1.13 0.64 0.00 0.00 175.55 176.24 1fhb n SER 47 N -2.31 3.04 -4.00 4.32 3.41 -1.26 -4.95 113.62 111.87 1fhb n SER 47 Ca 0.06 -2.70 -0.30 0.00 -0.26 0.00 0.00 58.87 55.67 1fhb n SER 47 Cb 0.59 -1.66 0.23 0.00 -0.26 0.00 0.00 64.21 63.11 1fhb n SER 47 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1fhb s TYR 48 N 10.22 0.80 0.04 7.33 1.51 -1.26 -5.03 117.35 130.96 1fhb s TYR 48 Ca 0.67 0.62 0.04 0.00 -1.01 0.00 0.00 57.07 57.39 1fhb s TYR 48 Cb 0.01 -3.38 -0.02 0.00 -0.11 0.00 0.00 41.96 38.47 1fhb s TYR 48 CO 0.13 -3.73 -0.12 0.95 -1.11 0.00 0.00 175.55 171.67 1fhb s THR 49 N -2.95 0.94 0.18 -0.71 -4.23 -1.26 -5.04 115.64 102.58 1fhb s THR 49 Ca 0.70 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 60.11 1fhb s THR 49 Cb -0.12 -0.88 0.11 0.00 1.34 0.00 0.00 72.50 72.95 1fhb s THR 49 CO 0.57 -0.07 1.70 -0.78 -0.54 0.00 0.00 174.62 175.50 1fhb h ASP 50 N 4.91 -0.08 -0.15 3.99 3.58 -1.99 -1.47 116.42 125.22 1fhb h ASP 50 Ca -0.37 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.23 1fhb h ASP 50 Cb 1.19 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 42.33 1fhb h ASP 50 CO 0.44 -0.01 -0.28 0.00 -2.88 0.00 0.00 179.24 176.51 1fhb h ALA 51 N 1.40 -0.28 -0.32 -0.78 0.00 -1.87 0.17 119.26 117.58 1fhb h ALA 51 Ca 0.25 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1fhb h ALA 51 Cb 0.35 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1fhb h ALA 51 CO -0.35 -0.74 -0.04 -0.97 0.00 0.00 0.00 179.25 177.14 1fhb h ASN 52 N -0.34 -0.22 0.51 0.00 -0.73 -1.63 0.15 115.58 113.32 1fhb h ASN 52 Ca 0.10 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1fhb h ASN 52 Cb 0.50 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.24 1fhb h ASN 52 CO -0.34 -0.07 -0.47 0.40 -0.37 0.00 0.00 177.43 176.58 1fhb h ILE 53 N 0.04 0.07 -0.31 2.57 2.04 -0.73 -2.58 117.51 118.62 1fhb h ILE 53 Ca 0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 1fhb h ILE 53 Cb 0.23 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1fhb h ILE 53 CO -0.30 0.00 0.21 0.11 0.00 0.00 0.00 178.15 178.17 1fhb h LYS 54 N -0.98 0.11 -0.97 2.37 1.57 -0.37 -0.35 116.57 117.95 1fhb h LYS 54 Ca -0.06 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 1fhb h LYS 54 Cb 0.84 -0.02 -0.13 0.00 0.08 0.00 0.00 32.23 33.00 1fhb h LYS 54 CO -0.04 0.07 0.28 1.17 -0.57 0.00 0.00 179.45 180.36 1fhb n LYS 55 N -4.47 1.83 -1.49 3.15 3.00 0.48 -4.99 118.16 115.68 1fhb n LYS 55 Ca 0.04 -1.51 -0.60 0.00 -0.00 0.00 0.00 58.31 56.24 1fhb n LYS 55 Cb 0.30 -1.63 -0.10 0.00 0.00 0.00 0.00 35.03 33.60 1fhb n LYS 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1fhb n ASN 56 N -0.22 1.42 -4.41 3.14 4.05 -0.14 -4.94 115.26 114.15 1fhb n ASN 56 Ca 0.27 0.82 -0.29 0.00 0.45 0.00 0.00 54.58 55.83 1fhb n ASN 56 Cb 1.03 -1.01 -0.13 0.00 1.23 0.00 0.00 39.78 40.91 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1fhb s VAL 57 N 5.13 2.37 0.14 3.44 1.01 -1.26 -4.96 120.40 126.28 1fhb s VAL 57 Ca 1.11 -1.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1fhb s VAL 57 Cb -1.30 -2.07 -0.15 0.00 0.00 0.00 0.00 36.38 32.86 1fhb s VAL 57 CO 0.66 0.06 1.36 0.25 0.00 0.00 0.00 175.10 177.43 1fhb h LEU 58 N 3.74 0.56 -2.46 3.92 7.12 -1.92 0.53 115.31 126.80 1fhb h LEU 58 Ca -0.50 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 57.11 1fhb h LEU 58 Cb 1.18 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 1fhb h LEU 58 CO 0.42 1.18 -0.68 0.79 -0.13 0.00 0.00 178.44 180.01 1fhb n TRP 59 N -3.80 -2.53 -4.26 1.25 5.03 -1.26 -3.34 117.44 108.53 1fhb n TRP 59 Ca -0.06 1.19 -0.13 0.00 3.03 0.00 0.00 57.50 61.53 1fhb n TRP 59 Cb 0.77 -3.04 -0.04 0.00 -1.03 0.00 0.00 31.31 27.98 1fhb n TRP 59 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 1fhb n ASP 60 N 0.55 1.23 -0.07 -0.99 5.75 -1.26 -0.48 116.55 121.28 1fhb n ASP 60 Ca -0.05 -2.07 -0.13 0.00 -0.01 0.00 0.00 54.79 52.53 1fhb n ASP 60 Cb 0.08 0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 40.57 1fhb n ASP 60 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1fhb h GLU 61 N 0.00 -0.43 0.63 0.11 4.39 -1.98 0.46 114.58 117.76 1fhb h GLU 61 Ca -0.16 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1fhb h GLU 61 Cb 0.60 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1fhb h GLU 61 CO 0.26 -0.29 -0.43 -0.97 -1.16 0.00 0.00 179.01 176.42 1fhb h ASN 62 N -0.45 -1.10 -0.46 1.42 -1.24 -1.99 0.15 115.58 111.92 1fhb h ASN 62 Ca 0.08 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1fhb h ASN 62 Cb 0.62 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 1fhb h ASN 62 CO -0.51 -0.64 0.18 0.78 -1.29 0.00 0.00 177.43 175.95 1fhb h ASN 63 N -1.01 0.64 -0.66 1.15 4.21 -1.95 -1.02 115.58 116.93 1fhb h ASN 63 Ca -0.08 -0.17 -0.06 0.00 1.21 0.00 0.00 56.30 57.20 1fhb h ASN 63 Cb 0.83 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 1fhb h ASN 63 CO 0.05 0.63 0.16 -0.03 -1.29 0.00 0.00 177.43 176.96 1fhb h MET 64 N 0.60 1.05 -0.11 0.81 4.05 -0.87 -0.18 114.93 120.27 1fhb h MET 64 Ca 0.15 -0.25 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1fhb h MET 64 Cb 0.20 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1fhb h MET 64 CO -0.01 0.94 -0.13 1.03 0.23 0.00 0.00 176.91 178.97 1fhb h SER 65 N 0.98 -0.39 0.76 1.39 0.87 0.03 0.22 113.55 117.40 1fhb h SER 65 Ca 0.21 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1fhb h SER 65 Cb 0.36 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1fhb h SER 65 CO 0.00 -0.17 -0.42 -0.08 -0.53 0.00 0.00 176.83 175.63 1fhb h GLU 66 N -0.16 -1.05 -0.61 2.24 4.57 -1.04 -0.92 114.58 117.60 1fhb h GLU 66 Ca 0.08 0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.44 1fhb h GLU 66 Cb 0.28 0.24 -0.12 0.00 -0.16 0.00 0.00 28.75 28.99 1fhb h GLU 66 CO -0.21 -0.70 -0.34 -0.92 -1.18 0.00 0.00 179.01 175.66 1fhb h TYR 67 N -1.09 -0.93 0.00 0.92 3.20 -0.88 0.99 116.97 119.18 1fhb h TYR 67 Ca -0.10 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1fhb h TYR 67 Cb 0.86 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 1fhb h TYR 67 CO -0.06 -0.38 -0.06 1.25 -1.64 0.00 0.00 178.16 177.27 1fhb h LEU 68 N -0.15 0.00 -0.32 2.82 5.85 -0.44 0.20 115.31 123.28 1fhb h LEU 68 Ca 0.24 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.76 1fhb h LEU 68 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1fhb h LEU 68 CO -0.70 0.06 -0.75 0.74 -0.34 0.00 0.00 178.44 177.45 1fhb h THR 69 N 0.00 1.34 -1.48 1.05 2.02 0.58 0.25 112.91 116.68 1fhb h THR 69 Ca -0.00 -2.09 -0.26 0.00 0.77 0.00 0.00 66.41 64.83 1fhb h THR 69 Cb 0.47 2.07 -0.24 0.00 -1.74 0.00 0.00 68.15 68.70 1fhb h THR 69 CO 0.01 0.64 -0.62 0.21 0.37 0.00 0.00 175.52 176.13 1fhb s ASN 70 N -7.02 -0.30 0.00 4.18 3.84 -0.11 -4.18 114.94 111.36 1fhb s ASN 70 Ca -0.07 -1.71 0.00 0.00 0.21 0.00 0.00 52.86 51.28 1fhb s ASN 70 Cb 0.10 1.17 0.00 0.00 -0.55 0.00 0.00 41.25 41.96 1fhb s ASN 70 CO 0.86 -0.15 0.41 -0.81 -2.79 0.00 0.00 177.10 174.62 1fhb n PRO 71 N 3.59 0.42 0.00 0.43 -0.04 0.53 -1.39 135.00 138.54 1fhb n PRO 71 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1fhb n PRO 71 Cb 0.52 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.77 0.00 -0.29 0.54 4.81 -1.26 -0.75 118.16 121.98 1fhb n LYS 73 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1fhb n LYS 73 Cb 0.21 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.35 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 0.97 -3.60 5.64 3.20 -1.56 -3.31 116.97 118.31 1fhb h TYR 74 Ca 0.00 0.02 -0.71 0.00 3.14 0.00 0.00 58.73 61.19 1fhb h TYR 74 Cb 0.00 -0.32 -0.26 0.00 1.54 0.00 0.00 36.73 37.69 1fhb h TYR 74 CO 0.00 0.58 -0.53 0.42 -1.64 0.00 0.00 178.16 176.98 1fhb s ILE 75 N -6.11 4.33 -1.52 1.81 -1.09 0.07 -5.01 121.20 113.67 1fhb s ILE 75 Ca -0.13 -0.99 -0.11 0.00 -2.23 0.00 0.00 60.65 57.19 1fhb s ILE 75 Cb 0.16 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.53 1fhb s ILE 75 CO 0.79 -0.25 2.70 -0.81 -1.23 0.00 0.00 174.94 176.13 1fhb n PRO 76 N 4.94 3.33 0.00 2.79 -0.04 -1.25 -3.80 135.00 140.97 1fhb n PRO 76 Ca -0.12 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1fhb n PRO 76 Cb 0.45 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 3.75 -0.46 3.11 0.55 0.00 -1.26 -4.79 105.19 106.10 1fhb n GLY 77 Ca 0.69 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.63 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 1.13 0.43 2.61 -1.32 -1.25 -4.28 115.64 112.97 1fhb s THR 78 Ca 0.00 -0.61 0.40 0.00 -1.21 0.00 0.00 61.69 60.27 1fhb s THR 78 Cb 0.00 -0.94 0.42 0.00 -1.51 0.00 0.00 72.50 70.47 1fhb s THR 78 CO 0.00 0.32 2.21 0.50 -2.21 0.00 0.00 174.62 175.44 1fhb h LYS 79 N 5.80 0.00 -5.22 7.08 3.64 -1.96 -3.44 116.57 122.47 1fhb h LYS 79 Ca -0.34 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1fhb h LYS 79 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1fhb h LYS 79 CO 0.49 0.00 0.12 0.00 -2.27 0.00 0.00 179.45 177.79 1fhb s ALA 80 N -3.96 0.64 -0.87 5.00 0.00 -1.26 -4.83 121.76 116.48 1fhb s ALA 80 Ca -0.03 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 1fhb s ALA 80 Cb 0.11 -4.66 -0.08 0.00 0.00 0.00 0.00 23.12 18.49 1fhb s ALA 80 CO 0.44 -6.48 2.04 0.00 0.00 0.00 0.00 175.76 171.77 1fhb n ALA 81 N 18.96 4.26 -2.84 0.00 0.00 -1.26 -4.87 120.51 134.76 1fhb n ALA 81 Ca 0.43 -2.38 -0.32 0.00 0.00 0.00 0.00 53.44 51.17 1fhb n ALA 81 Cb 0.46 -3.19 -0.16 0.00 0.00 0.00 0.00 19.45 16.56 1fhb n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fhb s PHE 82 N 3.90 2.58 -1.05 0.00 5.36 -1.26 -5.07 117.98 122.44 1fhb s PHE 82 Ca 0.44 -0.66 -0.23 0.00 -0.96 0.00 0.00 56.93 55.52 1fhb s PHE 82 Cb 0.11 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 41.15 1fhb s PHE 82 CO 0.01 -0.18 1.62 0.20 -1.46 0.00 0.00 175.22 175.41 1fhb s GLY 83 N -0.07 1.04 -0.01 13.12 0.00 -1.26 -4.84 107.32 115.30 1fhb s GLY 83 Ca -0.05 -2.20 -0.05 0.00 0.00 0.00 0.00 44.72 42.42 1fhb s GLY 83 CO 0.04 2.90 0.14 0.61 0.00 0.00 0.00 173.10 176.80 1fhb n GLY 84 N 6.61 -0.03 3.45 0.20 0.00 -1.26 -4.73 105.19 109.42 1fhb n GLY 84 Ca 0.37 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 0.22 3.27 0.07 0.99 4.77 0.88 -4.66 117.00 122.54 1fhb n LEU 85 Ca 0.03 -3.05 -0.01 0.00 -0.03 0.00 0.00 56.01 52.95 1fhb n LEU 85 Cb 0.01 -1.54 0.28 0.00 -2.33 0.00 0.00 43.42 39.84 1fhb n LEU 85 CO 0.08 -1.47 0.79 0.11 -1.33 0.00 0.00 177.39 175.57 1fhb h LYS 86 N 9.25 0.34 -0.68 3.23 1.79 -1.84 -3.28 116.57 125.38 1fhb h LYS 86 Ca 0.27 -0.11 0.12 0.00 -2.18 0.00 0.00 60.65 58.75 1fhb h LYS 86 Cb 0.86 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.44 1fhb h LYS 86 CO 1.44 0.55 0.46 0.87 -1.08 0.00 0.00 179.45 181.68 1fhb h LYS 87 N 0.31 0.41 0.00 3.15 1.57 -1.97 -3.45 116.57 116.59 1fhb h LYS 87 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1fhb h LYS 87 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1fhb h LYS 87 CO 0.04 0.27 0.00 -1.91 -0.57 0.00 0.00 179.45 177.28 1fhb n GLU 88 N -4.47 0.00 0.12 3.15 2.13 -1.24 -4.54 120.64 115.80 1fhb n GLU 88 Ca 0.12 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.81 1fhb n GLU 88 Cb 0.45 -0.04 -0.08 0.00 0.27 0.00 0.00 31.44 32.03 1fhb n GLU 88 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1fhb h LYS 89 N 0.00 -0.30 -0.89 5.31 1.79 -1.92 0.26 116.57 120.82 1fhb h LYS 89 Ca 0.00 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.62 1fhb h LYS 89 Cb 0.00 0.07 -0.14 0.00 -1.58 0.00 0.00 32.23 30.57 1fhb h LYS 89 CO 0.00 0.01 -0.41 -0.44 -1.08 0.00 0.00 179.45 177.53 1fhb h ASP 90 N -0.62 -1.48 -0.63 0.86 5.19 -1.97 -1.54 116.42 116.23 1fhb h ASP 90 Ca -0.03 0.29 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 1fhb h ASP 90 Cb 0.45 0.74 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 1fhb h ASP 90 CO 0.05 -0.29 0.33 -0.09 -3.12 0.00 0.00 179.24 176.13 1fhb h ARG 91 N -0.05 0.60 0.33 3.56 2.43 -1.70 0.23 114.38 119.79 1fhb h ARG 91 Ca 0.29 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1fhb h ARG 91 Cb 0.57 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1fhb h ARG 91 CO -0.90 0.40 -0.29 -0.91 -1.51 0.00 0.00 179.97 176.75 1fhb h ASN 92 N 0.62 -0.78 -0.22 -3.80 -0.26 0.46 0.18 115.58 111.78 1fhb h ASN 92 Ca 0.29 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 56.07 1fhb h ASN 92 Cb 0.20 0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1fhb h ASN 92 CO -0.19 -0.43 0.05 0.44 -1.06 0.00 0.00 177.43 176.24 1fhb h ASP 93 N -0.64 0.33 0.47 5.81 3.32 -0.84 -1.31 116.42 123.56 1fhb h ASP 93 Ca -0.02 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1fhb h ASP 93 Cb 0.57 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1fhb h ASP 93 CO -0.03 0.49 -0.51 0.25 -1.72 0.00 0.00 179.24 177.72 1fhb h LEU 94 N 0.17 -1.41 -0.96 1.55 5.85 -0.50 0.48 115.31 120.50 1fhb h LEU 94 Ca 0.07 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1fhb h LEU 94 Cb 0.29 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1fhb h LEU 94 CO 0.00 -0.66 0.62 0.40 -0.34 0.00 0.00 178.44 178.46 1fhb h ILE 95 N -0.99 1.10 0.03 4.05 2.04 -0.62 0.15 117.51 123.28 1fhb h ILE 95 Ca -0.06 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1fhb h ILE 95 Cb 0.86 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1fhb h ILE 95 CO -0.08 0.21 -0.23 0.74 0.00 0.00 0.00 178.15 178.79 1fhb h THR 96 N 1.15 0.47 -0.07 -0.27 2.02 -0.90 0.14 112.91 115.45 1fhb h THR 96 Ca 0.41 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.62 1fhb h THR 96 Cb 0.12 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1fhb h THR 96 CO -0.16 0.00 -0.21 0.22 0.37 0.00 0.00 175.52 175.74 1fhb h TYR 97 N -0.37 -0.55 -0.31 3.16 3.20 0.05 -1.92 116.97 120.23 1fhb h TYR 97 Ca 0.05 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1fhb h TYR 97 Cb 0.44 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1fhb h TYR 97 CO -0.26 -0.29 0.11 1.25 -1.64 0.00 0.00 178.16 177.34 1fhb h LEU 98 N -0.30 0.13 -0.91 2.82 6.46 -0.42 0.18 115.31 123.28 1fhb h LEU 98 Ca 0.08 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 58.03 1fhb h LEU 98 Cb 0.41 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.25 1fhb h LEU 98 CO -0.24 0.11 0.50 0.50 -0.62 0.00 0.00 178.44 178.69 1fhb h LYS 99 N 0.25 0.65 0.33 1.25 3.64 -0.50 0.44 116.57 122.63 1fhb h LYS 99 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1fhb h LYS 99 Cb 0.10 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1fhb h LYS 99 CO -0.14 0.43 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.10 1fhb h LYS 100 N 0.67 -0.42 0.00 1.90 3.11 -0.38 -3.25 116.57 118.19 1fhb h LYS 100 Ca 0.51 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.38 1fhb h LYS 100 Cb 0.75 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 1fhb h LYS 100 CO -0.38 -0.11 0.00 0.00 -2.81 0.00 0.00 179.45 176.15 1fhb n ALA 101 N -2.61 1.26 -0.34 5.00 0.00 0.50 -2.17 120.51 122.15 1fhb n ALA 101 Ca -0.08 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1fhb n ALA 101 Cb 0.26 -1.20 0.28 0.00 0.00 0.00 0.00 19.45 18.79 1fhb n ALA 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fhb h SER 102 N 0.00 0.76 -0.02 0.00 0.87 -0.17 -3.43 113.55 111.56 1fhb h SER 102 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1fhb h SER 102 Cb 0.11 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1fhb h SER 102 CO 0.00 0.31 0.00 1.21 -0.53 0.00 0.00 176.83 177.82