#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 0.58 0.04 -0.78 1.03 -1.26 -5.12 118.70 113.19 1fhb s GLU -4 Ca 0.00 -0.73 -0.30 0.00 0.03 0.00 0.00 54.97 53.96 1fhb s GLU -4 Cb 0.00 0.23 -0.08 0.00 -0.80 0.00 0.00 34.13 33.47 1fhb s GLU -4 CO 0.00 -0.14 1.80 0.12 -1.33 0.00 0.00 175.26 175.71 1fhb s PHE -3 N -2.53 1.85 -0.52 4.83 5.36 -1.26 -4.95 117.98 120.76 1fhb s PHE -3 Ca -0.06 -0.07 -0.24 0.00 -0.96 0.00 0.00 56.93 55.61 1fhb s PHE -3 Cb -0.02 -4.10 0.04 0.00 -0.34 0.00 0.00 43.02 38.60 1fhb s PHE -3 CO -0.04 -4.70 0.92 -1.59 -1.46 0.00 0.00 175.22 168.35 1fhb s LYS -2 N 3.62 3.38 0.12 10.12 -2.85 -1.26 -5.03 119.74 127.83 1fhb s LYS -2 Ca 0.81 -0.17 -0.27 0.00 -1.00 0.00 0.00 55.97 55.33 1fhb s LYS -2 Cb -0.41 -4.02 -0.07 0.00 -2.06 0.00 0.00 37.83 31.28 1fhb s LYS -2 CO 0.36 -1.39 0.84 0.00 0.10 0.00 0.00 175.35 175.26 1fhb s ALA -1 N 3.82 3.35 0.75 0.59 0.00 -1.26 -4.91 121.76 124.11 1fhb s ALA -1 Ca 0.31 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1fhb s ALA -1 Cb -0.12 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1fhb s ALA -1 CO 0.21 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1fhb n GLY 1 N 2.05 -0.06 1.03 0.00 0.00 -1.26 -4.96 105.19 101.98 1fhb n GLY 1 Ca -0.02 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 1fhb n GLY 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fhb n SER 2 N 0.00 2.59 0.00 1.61 3.41 -1.26 -4.90 113.62 115.06 1fhb n SER 2 Ca 0.00 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1fhb n SER 2 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1fhb n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fhb n ALA 3 N 0.13 0.00 -1.00 7.33 0.00 -1.26 -4.60 120.51 121.11 1fhb n ALA 3 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1fhb n ALA 3 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1fhb n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1fhb n LYS 4 N 0.00 0.73 0.00 0.00 2.85 -1.26 -3.35 118.16 117.13 1fhb n LYS 4 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fhb n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1fhb n LYS 4 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1fhb n LYS 5 N -0.22 0.00 -0.15 -1.58 3.00 -1.26 -4.39 118.16 113.57 1fhb n LYS 5 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 58.31 58.55 1fhb n LYS 5 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 35.03 35.69 1fhb n LYS 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1fhb h GLY 6 N 0.00 0.24 0.02 3.14 0.00 -1.78 0.14 103.07 104.83 1fhb h GLY 6 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.40 1fhb h GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1fhb h ALA 7 N 1.62 0.56 -0.42 3.60 0.00 -1.82 0.13 119.26 122.94 1fhb h ALA 7 Ca 0.39 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 1fhb h ALA 7 Cb 1.37 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1fhb h ALA 7 CO -0.05 -0.39 0.08 1.15 0.00 0.00 0.00 179.25 180.05 1fhb h THR 8 N 0.12 1.24 0.12 0.00 2.02 -1.08 0.92 112.91 116.25 1fhb h THR 8 Ca 0.30 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1fhb h THR 8 Cb 0.47 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1fhb h THR 8 CO -0.49 0.29 -0.06 -0.07 0.37 0.00 0.00 175.52 175.56 1fhb h LEU 9 N 0.55 -0.14 -0.34 2.58 -0.00 -1.33 0.54 115.31 117.17 1fhb h LEU 9 Ca 0.13 -0.07 0.07 0.00 -0.00 0.00 0.00 57.88 58.00 1fhb h LEU 9 Cb 0.35 0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.96 1fhb h LEU 9 CO 0.01 -0.01 -0.37 0.15 -0.00 0.00 0.00 178.44 178.21 1fhb h PHE 10 N -0.26 -1.04 -0.35 1.13 3.57 -0.63 0.12 116.94 119.49 1fhb h PHE 10 Ca -0.02 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1fhb h PHE 10 Cb 0.21 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1fhb h PHE 10 CO -0.04 -0.41 0.24 0.87 -2.23 0.00 0.00 178.31 176.74 1fhb h LYS 11 N -0.32 0.24 -0.01 1.11 1.57 -0.36 0.20 116.57 119.01 1fhb h LYS 11 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1fhb h LYS 11 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1fhb h LYS 11 CO -0.51 0.16 -0.58 0.25 -0.57 0.00 0.00 179.45 178.20 1fhb n THR 12 N -4.48 0.00 0.00 -0.16 -2.24 0.14 -4.49 114.28 103.05 1fhb n THR 12 Ca 0.04 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1fhb n THR 12 Cb 0.24 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.37 0.00 -0.11 -0.78 1.74 0.34 -4.95 116.66 112.52 1fhb n ARG 13 Ca 0.08 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.92 1fhb n ARG 13 Cb 0.43 -0.38 -0.11 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.69 0.38 -0.58 0.00 6.46 -1.14 0.85 115.31 120.59 1fhb h LEU 15 Ca -0.54 0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.51 1fhb h LEU 15 Cb 1.63 0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 41.63 1fhb h LEU 15 CO -0.24 -0.16 -0.41 0.06 -0.62 0.00 0.00 178.44 177.07 1fhb h GLN 16 N 0.28 -0.20 0.03 1.25 3.07 -1.81 -3.15 115.11 114.57 1fhb h GLN 16 Ca 0.70 0.01 -0.31 0.00 0.09 0.00 0.00 58.65 59.14 1fhb h GLN 16 Cb 1.57 0.05 -0.04 0.00 0.08 0.00 0.00 27.48 29.13 1fhb h GLN 16 CO -0.63 -0.14 -1.78 0.00 0.09 0.00 0.00 178.83 176.37 1fhb n HIS 18 N -3.13 -0.41 -3.98 0.00 8.25 -0.13 -1.05 115.22 114.77 1fhb n HIS 18 Ca -0.20 -1.83 -0.09 0.00 -0.26 0.00 0.00 57.72 55.34 1fhb n HIS 18 Cb 1.05 -0.33 -0.11 0.00 1.12 0.00 0.00 29.99 31.73 1fhb n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1fhb s THR 19 N -2.18 0.11 -0.05 1.59 -4.23 -1.26 -4.50 115.64 105.13 1fhb s THR 19 Ca 0.19 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1fhb s THR 19 Cb -0.01 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 1fhb s THR 19 CO 0.12 -0.52 -0.04 0.55 -0.54 0.00 0.00 174.62 174.18 1fhb n VAL 20 N 1.50 0.31 -2.36 2.29 3.14 -1.26 -0.79 118.33 121.16 1fhb n VAL 20 Ca -0.23 -0.12 -0.34 0.00 -2.96 0.00 0.00 64.34 60.68 1fhb n VAL 20 Cb 0.55 -0.70 -0.01 0.00 -1.06 0.00 0.00 33.84 32.62 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1fhb s GLU 21 N -2.11 3.54 0.84 1.45 2.02 -1.26 -3.54 118.70 119.65 1fhb s GLU 21 Ca -0.07 1.46 -0.13 0.00 0.02 0.00 0.00 54.97 56.24 1fhb s GLU 21 Cb 0.02 -2.05 0.05 0.00 0.10 0.00 0.00 34.13 32.25 1fhb s GLU 21 CO 0.13 -0.66 0.85 1.63 0.02 0.00 0.00 175.26 177.22 1fhb n LYS 22 N -1.24 0.01 0.00 1.61 5.02 -1.26 -3.40 118.16 118.90 1fhb n LYS 22 Ca 0.10 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1fhb n LYS 22 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 0.99 1.76 3.56 0.72 0.00 -1.26 -4.97 105.19 106.00 1fhb n GLY 23 Ca 0.11 -0.18 -0.56 0.00 0.00 0.00 0.00 46.02 45.38 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 0.56 3.76 -0.02 0.00 -1.22 -4.90 105.19 103.38 1fhb n GLY 24 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 46.02 46.69 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 4.70 1.45 -1.10 1.61 0.04 -1.26 -4.64 135.00 135.80 1fhb s PRO 25 Ca 1.05 0.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 1fhb s PRO 25 Cb -1.10 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 1fhb s PRO 25 CO 0.62 -2.05 1.99 0.72 0.04 0.00 0.00 177.00 178.32 1fhb n HIS 26 N -3.72 2.85 0.00 0.56 8.25 -1.26 -4.52 115.22 117.38 1fhb n HIS 26 Ca 0.07 -2.23 0.00 0.00 -0.26 0.00 0.00 57.72 55.30 1fhb n HIS 26 Cb 0.57 -2.22 0.00 0.00 1.12 0.00 0.00 29.99 29.46 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 7.12 0.00 -0.12 -0.41 5.02 -1.26 -4.72 118.16 123.79 1fhb n LYS 27 Ca 0.49 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.53 1fhb n LYS 27 Cb 0.42 -0.44 -0.11 0.00 -0.02 0.00 0.00 35.03 34.87 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 -4.17 -0.18 0.31 -0.55 -4.96 118.33 110.32 1fhb n VAL 28 Ca 0.00 -0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 63.73 1fhb n VAL 28 Cb 0.00 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 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 -5.52 1.61 0.61 2.92 0.00 -0.21 -5.02 107.32 101.70 1fhb s GLY 29 Ca -0.35 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 42.80 1fhb s GLY 29 CO 0.55 -1.45 1.08 2.56 0.00 0.00 0.00 173.10 175.84 1fhb s PRO 30 N -3.41 3.15 0.25 2.90 0.04 -1.26 -4.45 135.00 132.21 1fhb s PRO 30 Ca 0.31 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 1fhb s PRO 30 Cb -0.08 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 1fhb s PRO 30 CO 0.22 -0.96 1.46 -1.71 0.04 0.00 0.00 177.00 176.04 1fhb n ASN 31 N -2.06 3.04 -1.16 6.66 2.85 -1.26 -4.49 115.26 118.83 1fhb n ASN 31 Ca 0.10 1.14 0.10 0.00 -0.11 0.00 0.00 54.58 55.81 1fhb n ASN 31 Cb 0.52 -1.47 0.28 0.00 1.24 0.00 0.00 39.78 40.35 1fhb n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1fhb n LEU 32 N 2.19 3.68 -4.73 1.20 4.77 0.03 -4.94 117.00 119.21 1fhb n LEU 32 Ca 0.11 -2.00 -0.37 0.00 -0.03 0.00 0.00 56.01 53.72 1fhb n LEU 32 Cb 0.33 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1fhb n LEU 32 CO 0.63 0.92 0.89 1.57 -1.33 0.00 0.00 177.39 180.07 1fhb n HIS 33 N 1.33 1.88 -2.85 -1.77 -0.00 -1.23 -3.32 115.22 109.27 1fhb n HIS 33 Ca 0.21 0.42 -0.19 0.00 0.46 0.00 0.00 57.72 58.62 1fhb n HIS 33 Cb 0.57 -2.25 0.00 0.00 -0.12 0.00 0.00 29.99 28.19 1fhb n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fhb n GLY 34 N 0.88 -0.50 0.11 1.57 0.00 0.54 -4.88 105.19 102.90 1fhb n GLY 34 Ca 0.16 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.60 1.04 -2.23 -0.61 6.09 -1.79 -3.39 117.51 116.01 1fhb h ILE 35 Ca -0.41 -2.25 -0.52 0.00 -1.37 0.00 0.00 64.86 60.31 1fhb h ILE 35 Cb 1.29 2.49 -0.04 0.00 0.47 0.00 0.00 36.82 41.03 1fhb h ILE 35 CO 0.48 0.46 1.29 -0.36 -3.07 0.00 0.00 178.15 176.94 1fhb s PHE 36 N -2.38 1.82 0.00 2.19 0.40 -1.26 -1.30 117.98 117.45 1fhb s PHE 36 Ca -0.26 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 1fhb s PHE 36 Cb 0.04 -4.18 0.00 0.00 0.51 0.00 0.00 43.02 39.40 1fhb s PHE 36 CO 0.65 -2.33 0.00 0.41 0.70 0.00 0.00 175.22 174.65 1fhb n GLY 37 N 5.57 0.89 3.74 4.36 0.00 -1.22 -5.06 105.19 113.47 1fhb n GLY 37 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.95 2.70 1.00 1.61 1.81 -0.42 -5.07 118.95 119.64 1fhb s ARG 38 Ca 0.00 -0.91 -0.14 0.00 -1.72 0.00 0.00 55.73 52.96 1fhb s ARG 38 Cb 0.00 -2.56 0.19 0.00 -0.45 0.00 0.00 34.95 32.13 1fhb s ARG 38 CO 0.00 0.49 1.14 -0.65 -0.68 0.00 0.00 175.30 175.61 1fhb s GLN 39 N -2.85 0.43 0.57 3.54 -0.21 -1.26 -4.32 119.66 115.57 1fhb s GLN 39 Ca 0.29 0.18 -0.16 0.00 0.02 0.00 0.00 55.36 55.69 1fhb s GLN 39 Cb -0.10 -1.77 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 1fhb s GLN 39 CO 0.21 -2.66 1.05 -1.54 -2.12 0.00 0.00 175.29 170.23 1fhb s SER 40 N -3.97 5.95 -1.05 5.90 1.04 0.14 -4.27 113.70 117.44 1fhb s SER 40 Ca 0.67 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.85 1fhb s SER 40 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1fhb s SER 40 CO 0.55 -1.05 0.54 0.61 0.98 0.00 0.00 173.24 174.86 1fhb n GLY 41 N -1.00 -0.14 2.63 7.32 0.00 -1.26 -4.68 105.19 108.06 1fhb n GLY 41 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.21 1.45 -0.02 1.61 10.64 -1.26 -4.83 117.38 121.77 1fhb n GLN 42 Ca -0.06 -3.05 0.00 0.00 -1.83 0.00 0.00 57.00 52.07 1fhb n GLN 42 Cb 0.57 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 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 -0.56 0.00 -0.59 2.61 0.00 -1.26 -5.01 120.51 115.70 1fhb n ALA 43 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1fhb n ALA 43 Cb 0.85 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.51 1fhb n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fhb n GLU 44 N -0.03 -1.42 -0.80 0.00 2.13 -1.26 -4.84 120.64 114.40 1fhb n GLU 44 Ca 0.00 -0.37 -0.21 0.00 0.66 0.00 0.00 57.16 57.24 1fhb n GLU 44 Cb 0.00 -2.21 -0.04 0.00 0.27 0.00 0.00 31.44 29.46 1fhb n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fhb n GLY 45 N 0.80 3.09 3.94 8.31 0.00 -1.26 -4.87 105.19 115.19 1fhb n GLY 45 Ca 0.07 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 2.79 2.05 -1.17 1.61 6.14 -1.26 -4.94 117.35 122.57 1fhb s TYR 46 Ca 0.45 0.28 -0.23 0.00 0.64 0.00 0.00 57.07 58.21 1fhb s TYR 46 Cb 0.14 -3.62 -0.12 0.00 0.42 0.00 0.00 41.96 38.78 1fhb s TYR 46 CO -0.03 -2.09 1.97 -1.54 0.64 0.00 0.00 175.55 174.50 1fhb s SER 47 N -4.74 4.68 0.66 4.32 1.04 -1.26 -4.91 113.70 113.49 1fhb s SER 47 Ca 0.68 -1.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1fhb s SER 47 Cb -0.07 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.54 1fhb s SER 47 CO 0.49 -3.46 0.50 -1.22 0.98 0.00 0.00 173.24 170.54 1fhb n TYR 48 N 15.54 -3.39 -4.20 5.02 4.01 -1.26 -5.04 117.16 127.85 1fhb n TYR 48 Ca 0.44 -0.75 -0.16 0.00 -0.16 0.00 0.00 57.90 57.27 1fhb n TYR 48 Cb 0.47 -0.37 -0.14 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.57 0.47 0.25 -0.72 -4.23 -1.26 -5.01 115.64 103.57 1fhb s THR 49 Ca 0.32 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 1fhb s THR 49 Cb -0.02 -0.40 0.23 0.00 1.34 0.00 0.00 72.50 73.65 1fhb s THR 49 CO 0.21 0.12 1.75 -0.78 -0.54 0.00 0.00 174.62 175.39 1fhb h ASP 50 N 5.97 0.41 -0.09 3.99 3.58 -1.99 -1.13 116.42 127.17 1fhb h ASP 50 Ca -0.29 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.29 1fhb h ASP 50 Cb 1.19 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 1fhb h ASP 50 CO 0.50 0.17 -0.42 0.00 -2.88 0.00 0.00 179.24 176.61 1fhb h ALA 51 N 1.55 -0.80 -0.20 -0.78 0.00 -1.84 0.15 119.26 117.34 1fhb h ALA 51 Ca 0.44 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1fhb h ALA 51 Cb 0.63 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1fhb h ALA 51 CO -0.38 -0.95 -0.04 -0.97 0.00 0.00 0.00 179.25 176.92 1fhb h ASN 52 N -0.46 -0.16 0.12 0.00 -0.73 -1.69 0.44 115.58 113.10 1fhb h ASN 52 Ca 0.02 0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.26 1fhb h ASN 52 Cb 0.53 0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.18 1fhb h ASN 52 CO -0.33 -0.05 -0.49 0.40 -0.37 0.00 0.00 177.43 176.58 1fhb h ILE 53 N 0.01 0.05 0.00 2.57 2.04 -0.93 -1.42 117.51 119.84 1fhb h ILE 53 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1fhb h ILE 53 Cb 0.14 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1fhb h ILE 53 CO -0.19 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 177.92 1fhb h LYS 54 N -0.72 0.00 -1.03 2.37 1.57 -0.58 -0.30 116.57 117.89 1fhb h LYS 54 Ca 0.01 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 1fhb h LYS 54 Cb 0.74 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.89 1fhb h LYS 54 CO -0.28 0.15 0.36 1.17 -0.57 0.00 0.00 179.45 180.28 1fhb n LYS 55 N -3.79 1.67 -1.31 3.15 3.00 0.13 -4.97 118.16 116.05 1fhb n LYS 55 Ca -0.02 -1.60 -0.33 0.00 -0.00 0.00 0.00 58.31 56.36 1fhb n LYS 55 Cb 0.26 -1.63 -0.14 0.00 0.00 0.00 0.00 35.03 33.51 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 -0.34 -0.04 -4.76 3.14 6.94 -0.12 -4.92 115.26 115.15 1fhb n ASN 56 Ca 0.32 0.03 -0.23 0.00 -0.02 0.00 0.00 54.58 54.69 1fhb n ASN 56 Cb 1.09 -0.74 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 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 6.37 3.20 -0.26 3.53 1.01 -1.26 -4.90 120.40 128.10 1fhb s VAL 57 Ca 1.18 -1.61 0.21 0.00 0.00 0.00 0.00 61.98 61.77 1fhb s VAL 57 Cb -1.03 -3.04 -0.30 0.00 0.00 0.00 0.00 36.38 32.01 1fhb s VAL 57 CO 0.44 -0.19 0.56 -0.11 0.00 0.00 0.00 175.10 175.80 1fhb n LEU 58 N -1.20 0.23 -2.98 3.92 0.00 -1.26 0.26 117.00 115.97 1fhb n LEU 58 Ca -0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 56.01 55.73 1fhb n LEU 58 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.09 1fhb n LEU 58 CO 0.43 0.06 0.05 0.79 0.00 0.00 0.00 177.39 178.71 1fhb n TRP 59 N -2.05 -1.99 -2.12 1.96 5.03 -1.26 -3.43 117.44 113.58 1fhb n TRP 59 Ca -0.02 0.74 -0.27 0.00 3.03 0.00 0.00 57.50 60.98 1fhb n TRP 59 Cb 0.49 -4.09 0.11 0.00 -1.03 0.00 0.00 31.31 26.79 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 -3.58 4.26 0.19 -0.99 -4.77 -1.26 -3.84 116.67 106.68 1fhb s ASP 60 Ca 0.26 0.37 -0.14 0.00 -3.30 0.00 0.00 52.55 49.74 1fhb s ASP 60 Cb -0.03 -0.80 0.20 0.00 -1.09 0.00 0.00 42.92 41.19 1fhb s ASP 60 CO 0.61 -1.98 1.66 -0.08 0.70 0.00 0.00 175.17 176.08 1fhb h GLU 61 N -0.95 0.04 0.13 2.11 4.81 -1.98 -0.62 114.58 118.12 1fhb h GLU 61 Ca -0.44 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1fhb h GLU 61 Cb 1.29 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1fhb h GLU 61 CO 0.53 0.03 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.81 1fhb h ASN 62 N 0.05 -0.14 -0.44 1.04 -0.73 -1.98 0.16 115.58 113.53 1fhb h ASN 62 Ca 0.26 -0.42 -0.00 0.00 1.87 0.00 0.00 56.30 58.01 1fhb h ASN 62 Cb 0.41 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 1fhb h ASN 62 CO -0.51 0.43 0.26 0.78 -0.37 0.00 0.00 177.43 178.03 1fhb h ASN 63 N -0.81 0.54 -0.27 1.15 2.35 -1.97 -0.72 115.58 115.85 1fhb h ASN 63 Ca -0.02 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1fhb h ASN 63 Cb 0.55 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1fhb h ASN 63 CO 0.03 0.45 0.10 -0.03 -1.65 0.00 0.00 177.43 176.33 1fhb h MET 64 N 0.58 0.22 -0.34 0.81 4.05 -1.10 0.36 114.93 119.52 1fhb h MET 64 Ca 0.16 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1fhb h MET 64 Cb 0.02 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1fhb h MET 64 CO -0.03 0.14 0.15 0.77 0.23 0.00 0.00 176.91 178.17 1fhb h SER 65 N 0.22 0.19 0.06 1.39 0.02 -0.17 0.16 113.55 115.42 1fhb h SER 65 Ca 0.12 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1fhb h SER 65 Cb 0.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1fhb h SER 65 CO -0.12 0.15 -0.03 -0.08 -1.14 0.00 0.00 176.83 175.62 1fhb h GLU 66 N 0.31 -0.08 -0.40 3.45 4.22 -0.91 0.27 114.58 121.45 1fhb h GLU 66 Ca 0.15 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.66 1fhb h GLU 66 Cb 0.09 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 1fhb h GLU 66 CO -0.13 0.09 -0.42 -0.92 -2.18 0.00 0.00 179.01 175.46 1fhb h TYR 67 N -0.23 -1.21 -0.85 0.92 3.20 -0.66 0.12 116.97 118.25 1fhb h TYR 67 Ca -0.01 0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1fhb h TYR 67 Cb 0.21 0.59 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1fhb h TYR 67 CO -0.02 -0.44 0.56 -0.07 -1.64 0.00 0.00 178.16 176.55 1fhb h LEU 68 N -0.33 0.87 -0.89 2.82 3.38 -0.57 0.15 115.31 120.74 1fhb h LEU 68 Ca 0.14 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1fhb h LEU 68 Cb 0.58 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1fhb h LEU 68 CO -0.56 0.57 0.58 0.74 0.09 0.00 0.00 178.44 179.86 1fhb h THR 69 N 0.99 1.15 -1.16 0.22 2.02 0.72 0.12 112.91 116.97 1fhb h THR 69 Ca 0.35 -0.39 -0.28 0.00 0.77 0.00 0.00 66.41 66.87 1fhb h THR 69 Cb 0.14 -0.07 -0.21 0.00 -1.74 0.00 0.00 68.15 66.26 1fhb h THR 69 CO -0.12 0.21 -0.63 -3.20 0.37 0.00 0.00 175.52 172.15 1fhb n ASN 70 N -4.52 -2.55 -1.30 4.18 2.85 0.25 -3.98 115.26 110.19 1fhb n ASN 70 Ca 0.11 -2.86 0.00 0.00 -0.11 0.00 0.00 54.58 51.72 1fhb n ASN 70 Cb 0.08 1.16 0.00 0.00 1.24 0.00 0.00 39.78 42.27 1fhb n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1fhb n PRO 71 N 2.60 0.34 0.00 1.20 -0.04 0.34 -0.92 135.00 138.53 1fhb n PRO 71 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1fhb n PRO 71 Cb 0.55 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.19 0.00 -0.19 0.54 4.81 -1.26 -0.91 118.16 122.34 1fhb n LYS 73 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1fhb n LYS 73 Cb 0.17 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.28 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 1.09 -3.76 5.64 5.03 -1.36 -3.37 116.97 120.23 1fhb h TYR 74 Ca 0.00 -0.17 -0.66 0.00 2.58 0.00 0.00 58.73 60.48 1fhb h TYR 74 Cb 0.00 -0.29 -0.20 0.00 1.55 0.00 0.00 36.73 37.80 1fhb h TYR 74 CO 0.00 0.96 -0.53 0.42 -1.32 0.00 0.00 178.16 177.68 1fhb s ILE 75 N -5.04 4.99 -1.25 1.81 -1.09 -0.09 -5.01 121.20 115.52 1fhb s ILE 75 Ca -0.11 -0.11 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 1fhb s ILE 75 Cb 0.14 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1fhb s ILE 75 CO 0.85 0.16 1.98 -0.81 -1.23 0.00 0.00 174.94 175.89 1fhb n PRO 76 N 5.03 2.55 0.00 2.79 -0.04 -1.26 -3.85 135.00 140.23 1fhb n PRO 76 Ca -0.14 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.65 1fhb n PRO 76 Cb 0.51 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 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 4.82 0.82 3.02 0.55 0.00 -1.26 -4.71 105.19 108.44 1fhb n GLY 77 Ca 0.50 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 0.50 -0.35 2.61 -1.32 -1.25 -4.58 115.64 111.22 1fhb s THR 78 Ca 0.00 -0.75 0.27 0.00 -1.21 0.00 0.00 61.69 60.00 1fhb s THR 78 Cb 0.00 -0.51 0.31 0.00 -1.51 0.00 0.00 72.50 70.78 1fhb s THR 78 CO 0.00 -0.19 1.79 0.50 -2.21 0.00 0.00 174.62 174.52 1fhb h LYS 79 N 5.08 0.00 -5.61 7.08 3.64 -1.96 -3.42 116.57 121.38 1fhb h LYS 79 Ca -0.33 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.81 1fhb h LYS 79 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1fhb h LYS 79 CO 0.44 0.00 0.70 0.00 -2.27 0.00 0.00 179.45 178.32 1fhb s ALA 80 N -3.37 1.39 -0.27 5.00 0.00 -1.26 -4.78 121.76 118.47 1fhb s ALA 80 Ca 0.05 -0.93 0.11 0.00 0.00 0.00 0.00 51.96 51.19 1fhb s ALA 80 Cb 0.09 -4.50 0.46 0.00 0.00 0.00 0.00 23.12 19.17 1fhb s ALA 80 CO 0.51 -5.03 1.18 0.00 0.00 0.00 0.00 175.76 172.42 1fhb n ALA 81 N 15.73 4.38 -1.92 0.00 0.00 -1.26 -4.55 120.51 132.89 1fhb n ALA 81 Ca 0.39 -3.52 -0.29 0.00 0.00 0.00 0.00 53.44 50.02 1fhb n ALA 81 Cb 0.47 -0.42 0.14 0.00 0.00 0.00 0.00 19.45 19.64 1fhb n ALA 81 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1fhb s PHE 82 N -3.47 2.25 -1.02 0.00 -0.71 -1.26 -4.92 117.98 108.85 1fhb s PHE 82 Ca 0.45 0.52 -0.23 0.00 -1.04 0.00 0.00 56.93 56.62 1fhb s PHE 82 Cb 0.39 -3.81 -0.13 0.00 -1.21 0.00 0.00 43.02 38.25 1fhb s PHE 82 CO 0.01 -2.22 1.93 0.41 -1.34 0.00 0.00 175.22 174.00 1fhb n GLY 83 N -3.54 1.24 1.26 1.99 0.00 -1.26 -4.91 105.19 99.97 1fhb n GLY 83 Ca 0.12 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1fhb n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLY 84 N 5.47 -0.05 3.75 -0.02 0.00 -1.26 -4.89 105.19 108.18 1fhb n GLY 84 Ca 0.46 0.30 -0.38 0.00 0.00 0.00 0.00 46.02 46.40 1fhb n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fhb s LEU 85 N 0.34 3.77 0.02 0.99 1.43 0.41 -4.83 118.68 120.80 1fhb s LEU 85 Ca 0.34 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 1fhb s LEU 85 Cb -0.47 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.36 1fhb s LEU 85 CO 0.23 -1.65 0.00 0.29 0.23 0.00 0.00 176.35 175.45 1fhb n LYS 86 N -1.27 0.00 -0.73 1.70 4.01 -1.26 -3.93 118.16 116.68 1fhb n LYS 86 Ca 0.12 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.59 1fhb n LYS 86 Cb 0.46 -0.48 0.15 0.00 -0.51 0.00 0.00 35.03 34.65 1fhb n LYS 86 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1fhb n LYS 87 N -3.08 -1.02 -0.12 1.97 5.02 -1.26 -5.01 118.16 114.66 1fhb n LYS 87 Ca 0.00 -0.27 -0.26 0.00 -2.02 0.00 0.00 58.31 55.76 1fhb n LYS 87 Cb 0.39 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 1fhb n LYS 87 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1fhb n GLU 88 N -1.85 0.53 0.22 1.97 0.00 -1.26 -4.37 120.64 115.88 1fhb n GLU 88 Ca 0.03 0.22 -0.09 0.00 0.00 0.00 0.00 57.16 57.33 1fhb n GLU 88 Cb 0.59 -1.39 -0.04 0.00 0.00 0.00 0.00 31.44 30.60 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 -0.80 -0.55 -0.77 5.31 6.56 -1.99 0.12 116.57 124.44 1fhb h LYS 89 Ca -0.62 0.04 0.18 0.00 -1.06 0.00 0.00 60.65 59.19 1fhb h LYS 89 Cb 1.57 0.13 -0.13 0.00 -0.57 0.00 0.00 32.23 33.23 1fhb h LYS 89 CO -0.35 -0.37 0.01 -0.44 -2.06 0.00 0.00 179.45 176.24 1fhb h ASP 90 N -0.77 -0.35 0.03 0.86 5.19 -1.99 0.19 116.42 119.58 1fhb h ASP 90 Ca -0.06 0.20 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1fhb h ASP 90 Cb 0.44 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 1fhb h ASP 90 CO 0.10 -0.19 -0.20 -0.09 -3.12 0.00 0.00 179.24 175.73 1fhb h ARG 91 N 0.10 -0.33 -0.27 3.56 2.43 -1.74 0.12 114.38 118.24 1fhb h ARG 91 Ca 0.43 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.69 1fhb h ARG 91 Cb 0.76 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1fhb h ARG 91 CO -0.68 -0.22 -0.24 -0.91 -1.51 0.00 0.00 179.97 176.40 1fhb h ASN 92 N -0.35 -0.78 0.20 -3.80 2.35 0.11 0.25 115.58 113.56 1fhb h ASN 92 Ca 0.05 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1fhb h ASN 92 Cb 0.41 0.37 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 1fhb h ASN 92 CO -0.17 -0.27 -0.28 0.44 -1.65 0.00 0.00 177.43 175.50 1fhb h ASP 93 N -0.23 -0.77 -0.07 5.81 3.32 -0.67 0.18 116.42 123.99 1fhb h ASP 93 Ca 0.15 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.30 1fhb h ASP 93 Cb 0.46 0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 1fhb h ASP 93 CO -0.41 -0.38 -0.53 0.25 -1.72 0.00 0.00 179.24 176.45 1fhb h LEU 94 N -0.54 -1.67 -0.94 1.55 5.85 -0.51 0.35 115.31 119.40 1fhb h LEU 94 Ca 0.01 0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1fhb h LEU 94 Cb 0.53 0.64 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1fhb h LEU 94 CO -0.11 -0.49 0.58 0.40 -0.34 0.00 0.00 178.44 178.48 1fhb h ILE 95 N -0.61 0.94 0.43 4.05 2.04 -0.30 0.11 117.51 124.17 1fhb h ILE 95 Ca 0.02 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1fhb h ILE 95 Cb 0.69 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1fhb h ILE 95 CO -0.39 0.17 -0.21 0.74 0.00 0.00 0.00 178.15 178.46 1fhb h THR 96 N 0.95 0.58 -0.41 -0.27 2.02 0.09 0.25 112.91 116.12 1fhb h THR 96 Ca 0.45 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.67 1fhb h THR 96 Cb 0.40 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1fhb h THR 96 CO -0.25 0.01 -0.03 0.22 0.37 0.00 0.00 175.52 175.84 1fhb h TYR 97 N -0.60 -0.08 -0.02 3.16 3.20 -0.25 0.12 116.97 122.50 1fhb h TYR 97 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1fhb h TYR 97 Cb 0.45 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1fhb h TYR 97 CO -0.04 -0.11 0.01 1.25 -1.64 0.00 0.00 178.16 177.63 1fhb h LEU 98 N 0.07 0.02 -0.71 2.82 5.85 -0.64 0.13 115.31 122.85 1fhb h LEU 98 Ca 0.20 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.99 1fhb h LEU 98 Cb 0.29 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 1fhb h LEU 98 CO -0.36 0.08 0.26 0.50 -0.34 0.00 0.00 178.44 178.57 1fhb h LYS 99 N -0.04 0.39 0.24 1.25 3.64 0.02 0.42 116.57 122.49 1fhb h LYS 99 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1fhb h LYS 99 Cb 0.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1fhb h LYS 99 CO -0.00 0.26 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.10 1fhb h LYS 100 N 0.40 -0.31 0.00 1.90 3.11 -0.70 -3.20 116.57 117.77 1fhb h LYS 100 Ca 0.39 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.25 1fhb h LYS 100 Cb 0.58 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1fhb h LYS 100 CO -0.40 0.06 0.00 0.00 -2.81 0.00 0.00 179.45 176.30 1fhb n ALA 101 N -2.51 1.06 -0.02 5.00 0.00 0.44 -0.59 120.51 123.89 1fhb n ALA 101 Ca -0.09 0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.65 1fhb n ALA 101 Cb 0.26 -1.23 0.60 0.00 0.00 0.00 0.00 19.45 19.09 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 0.16 0.00 0.00 0.87 -0.17 -3.42 113.55 110.99 1fhb h SER 102 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1fhb h SER 102 Cb 0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1fhb h SER 102 CO 0.00 0.09 0.00 1.21 -0.53 0.00 0.00 176.83 177.60