#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 2.00 -2.14 1.09 0.28 -1.26 -4.93 120.64 115.67 1fhb n GLU -4 Ca 0.00 0.72 -0.42 0.00 -0.16 0.00 0.00 57.16 57.30 1fhb n GLU -4 Cb 0.00 -2.60 -0.03 0.00 1.43 0.00 0.00 31.44 30.24 1fhb n GLU -4 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1fhb s PHE -3 N -1.23 2.45 -0.22 -1.84 5.36 -1.26 -5.00 117.98 116.23 1fhb s PHE -3 Ca 0.66 0.54 -0.05 0.00 -0.96 0.00 0.00 56.93 57.12 1fhb s PHE -3 Cb -0.44 -3.77 -0.02 0.00 -0.34 0.00 0.00 43.02 38.46 1fhb s PHE -3 CO 0.54 -3.03 0.01 0.15 -1.46 0.00 0.00 175.22 171.42 1fhb s LYS -2 N 3.30 3.55 0.66 10.12 -0.14 -1.26 -5.11 119.74 130.86 1fhb s LYS -2 Ca 0.67 -0.54 -0.18 0.00 -1.36 0.00 0.00 55.97 54.56 1fhb s LYS -2 Cb -0.31 -3.13 -0.01 0.00 -1.68 0.00 0.00 37.83 32.70 1fhb s LYS -2 CO 0.26 -0.11 1.28 0.00 -0.76 0.00 0.00 175.35 176.02 1fhb s ALA -1 N 1.33 2.35 0.28 5.17 0.00 -1.26 -4.82 121.76 124.81 1fhb s ALA -1 Ca 0.04 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1fhb s ALA -1 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1fhb s ALA -1 CO 0.01 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.56 1fhb n GLY 1 N 0.82 1.26 1.48 0.00 0.00 -1.26 -4.95 105.19 102.54 1fhb n GLY 1 Ca 0.15 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.35 1fhb n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fhb n SER 2 N 0.00 4.97 0.00 1.61 2.88 -1.26 -4.98 113.62 116.84 1fhb n SER 2 Ca 0.00 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 1fhb n SER 2 Cb 0.00 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1fhb n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fhb n ALA 3 N 0.18 0.00 -1.10 -1.46 0.00 -1.26 -4.74 120.51 112.13 1fhb n ALA 3 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 1fhb n ALA 3 Cb 1.07 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.70 1fhb n ALA 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fhb n LYS 4 N 0.00 -2.49 0.00 0.00 5.02 -1.26 -4.03 118.16 115.39 1fhb n LYS 4 Ca 0.00 -1.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1fhb n LYS 4 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1fhb n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1fhb n LYS 5 N -3.95 0.00 -0.19 1.97 0.00 -1.26 -4.45 118.16 110.28 1fhb n LYS 5 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.55 1fhb n LYS 5 Cb 0.44 0.00 0.44 0.00 0.00 0.00 0.00 35.03 35.91 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 0.89 0.40 3.14 0.00 -1.72 0.38 103.07 106.15 1fhb h GLY 6 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.16 1fhb h GLY 6 CO 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 176.54 176.64 1fhb h ALA 7 N 1.63 0.34 -0.31 3.60 0.00 -1.78 0.12 119.26 122.86 1fhb h ALA 7 Ca 0.37 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1fhb h ALA 7 Cb 0.66 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1fhb h ALA 7 CO -0.14 -0.40 0.12 1.15 0.00 0.00 0.00 179.25 179.99 1fhb h THR 8 N 0.10 1.18 -0.06 0.00 2.02 -1.31 0.18 112.91 115.02 1fhb h THR 8 Ca 0.18 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1fhb h THR 8 Cb 0.26 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1fhb h THR 8 CO -0.31 0.19 -0.02 -0.07 0.37 0.00 0.00 175.52 175.69 1fhb h LEU 9 N 0.35 -0.06 -0.40 2.58 -0.00 -1.06 0.54 115.31 117.27 1fhb h LEU 9 Ca 0.10 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.08 1fhb h LEU 9 Cb 0.19 0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 40.80 1fhb h LEU 9 CO -0.01 -0.02 -0.17 0.15 -0.00 0.00 0.00 178.44 178.39 1fhb h PHE 10 N -0.01 -0.42 -0.57 1.13 3.57 -0.59 -0.20 116.94 119.86 1fhb h PHE 10 Ca 0.03 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1fhb h PHE 10 Cb 0.05 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1fhb h PHE 10 CO -0.12 -0.25 0.38 0.87 -2.23 0.00 0.00 178.31 176.95 1fhb h LYS 11 N -0.10 0.65 -0.16 1.11 1.57 -0.06 0.20 116.57 119.77 1fhb h LYS 11 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1fhb h LYS 11 Cb 0.40 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1fhb h LYS 11 CO -0.46 0.43 0.00 0.25 -0.57 0.00 0.00 179.45 179.10 1fhb n THR 12 N -4.47 0.19 0.00 -0.16 -2.24 0.10 -4.43 114.28 103.28 1fhb n THR 12 Ca 0.07 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1fhb n THR 12 Cb 0.13 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.02 -0.13 -0.78 1.74 -0.17 -4.97 116.66 113.53 1fhb n ARG 13 Ca 0.17 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.97 1fhb n ARG 13 Cb 0.55 -0.53 -0.10 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.88 0.51 -0.77 0.00 6.46 -1.26 0.13 115.31 119.49 1fhb h LEU 15 Ca -0.67 0.15 0.13 0.00 -0.12 0.00 0.00 57.88 57.37 1fhb h LEU 15 Cb 1.62 0.09 -0.13 0.00 -0.73 0.00 0.00 40.66 41.51 1fhb h LEU 15 CO -0.39 -0.05 -0.36 0.06 -0.62 0.00 0.00 178.44 177.08 1fhb h GLN 16 N 0.37 -0.09 0.02 1.25 3.07 -1.80 -3.23 115.11 114.69 1fhb h GLN 16 Ca 0.70 0.01 -0.36 0.00 0.09 0.00 0.00 58.65 59.09 1fhb h GLN 16 Cb 1.65 0.02 -0.06 0.00 0.08 0.00 0.00 27.48 29.17 1fhb h GLN 16 CO -0.50 -0.06 -2.24 0.00 0.09 0.00 0.00 178.83 176.12 1fhb n HIS 18 N -3.03 -0.70 -4.08 0.00 8.25 -0.04 -0.89 115.22 114.73 1fhb n HIS 18 Ca -0.33 -2.19 -0.13 0.00 -0.26 0.00 0.00 57.72 54.80 1fhb n HIS 18 Cb 1.08 -0.43 -0.11 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.57 0.60 -0.22 1.59 -4.23 -1.25 -4.44 115.64 105.12 1fhb s THR 19 Ca 0.31 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 1fhb s THR 19 Cb -0.02 -0.70 -0.17 0.00 1.34 0.00 0.00 72.50 72.95 1fhb s THR 19 CO 0.19 -0.39 -0.15 0.52 -0.54 0.00 0.00 174.62 174.25 1fhb n VAL 20 N 1.37 1.30 -2.03 2.29 0.31 -1.26 -0.59 118.33 119.71 1fhb n VAL 20 Ca -0.22 -0.56 -0.36 0.00 -0.01 0.00 0.00 64.34 63.18 1fhb n VAL 20 Cb 0.55 -1.14 0.03 0.00 -0.91 0.00 0.00 33.84 32.36 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1fhb s GLU 21 N -2.46 3.09 -0.07 5.55 2.02 -1.26 -3.03 118.70 122.55 1fhb s GLU 21 Ca -0.26 1.85 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1fhb s GLU 21 Cb 0.07 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 1fhb s GLU 21 CO 0.58 -1.12 1.87 0.15 0.02 0.00 0.00 175.26 176.76 1fhb s LYS 22 N -3.22 3.93 -0.01 1.61 1.02 -1.26 -0.74 119.74 121.07 1fhb s LYS 22 Ca 0.75 2.26 0.00 0.00 0.02 0.00 0.00 55.97 59.00 1fhb s LYS 22 Cb -0.31 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 32.87 1fhb s LYS 22 CO 0.34 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 1fhb n GLY 23 N 4.66 0.47 3.77 -3.33 0.00 -1.26 -5.04 105.19 104.47 1fhb n GLY 23 Ca 0.21 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.20 2.94 0.71 -0.02 0.00 0.08 -4.97 107.32 103.86 1fhb s GLY 24 Ca 0.00 1.42 -0.13 0.00 0.00 0.00 0.00 44.72 46.01 1fhb s GLY 24 CO 0.00 2.04 1.10 2.56 0.00 0.00 0.00 173.10 178.80 1fhb s PRO 25 N -2.24 2.57 -0.88 2.90 0.04 -1.26 -4.64 135.00 131.49 1fhb s PRO 25 Ca 0.57 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 1fhb s PRO 25 Cb -0.43 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1fhb s PRO 25 CO 0.56 -1.41 1.31 -1.01 0.04 0.00 0.00 177.00 176.49 1fhb s HIS 26 N -2.60 2.51 0.00 0.56 3.76 -1.26 -4.28 115.29 113.97 1fhb s HIS 26 Ca 0.64 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1fhb s HIS 26 Cb -0.19 -4.60 0.00 0.00 1.11 0.00 0.00 32.58 28.90 1fhb s HIS 26 CO 0.48 -1.92 0.00 1.63 -0.85 0.00 0.00 174.74 174.08 1fhb n LYS 27 N 8.74 0.00 -0.09 1.40 5.02 -1.26 -4.84 118.16 127.14 1fhb n LYS 27 Ca 0.18 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 1fhb n LYS 27 Cb 0.50 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.39 1fhb n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fhb h VAL 28 N 0.00 0.97 -1.63 -0.18 2.07 -1.54 -3.48 116.25 112.46 1fhb h VAL 28 Ca 0.00 -2.22 -0.44 0.00 0.82 0.00 0.00 66.70 64.86 1fhb h VAL 28 Cb 0.00 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1fhb h VAL 28 CO 0.00 0.40 -0.32 -0.83 0.02 0.00 0.00 177.57 176.84 1fhb s GLY 29 N -4.87 1.82 0.86 2.17 0.00 -0.07 -5.02 107.32 102.21 1fhb s GLY 29 Ca -0.27 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 42.69 1fhb s GLY 29 CO 0.62 -1.48 0.70 -1.55 0.00 0.00 0.00 173.10 171.40 1fhb n PRO 30 N -1.69 -2.78 -3.50 2.90 -0.04 -1.26 -4.41 135.00 124.22 1fhb n PRO 30 Ca 0.03 -1.13 -0.37 0.00 -0.04 0.00 0.00 63.50 62.00 1fhb n PRO 30 Cb 0.59 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.86 1fhb n PRO 30 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1fhb s ASN 31 N -3.32 6.77 -0.12 3.54 3.84 -1.26 -3.81 114.94 120.58 1fhb s ASN 31 Ca 0.47 0.93 0.15 0.00 0.21 0.00 0.00 52.86 54.62 1fhb s ASN 31 Cb -0.05 -2.24 0.50 0.00 -0.55 0.00 0.00 41.25 38.91 1fhb s ASN 31 CO 0.37 0.26 1.41 0.18 -2.79 0.00 0.00 177.10 176.53 1fhb n LEU 32 N 1.43 3.79 -4.76 3.21 4.77 0.24 -4.92 117.00 120.76 1fhb n LEU 32 Ca -0.11 -2.63 -0.39 0.00 -0.03 0.00 0.00 56.01 52.86 1fhb n LEU 32 Cb 0.52 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1fhb n LEU 32 CO 0.39 0.71 0.97 -2.28 -1.33 0.00 0.00 177.39 175.85 1fhb s HIS 33 N -2.13 2.59 -1.68 -1.77 2.46 -1.17 -3.27 115.29 110.31 1fhb s HIS 33 Ca 0.38 1.39 0.00 0.00 0.47 0.00 0.00 55.06 57.30 1fhb s HIS 33 Cb 0.27 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 1fhb s HIS 33 CO 0.13 -2.41 0.00 0.41 -2.47 0.00 0.00 174.74 170.40 1fhb n GLY 34 N 0.63 0.52 0.18 1.59 0.00 0.22 -4.86 105.19 103.47 1fhb n GLY 34 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 1.33 -2.57 -0.61 6.09 -1.79 -3.36 117.51 116.61 1fhb h ILE 35 Ca -0.39 -2.04 -0.57 0.00 -1.37 0.00 0.00 64.86 60.49 1fhb h ILE 35 Cb 1.24 2.29 -0.03 0.00 0.47 0.00 0.00 36.82 40.79 1fhb h ILE 35 CO 0.51 0.62 1.29 -0.36 -3.07 0.00 0.00 178.15 177.15 1fhb s PHE 36 N -3.48 1.77 0.00 2.19 0.40 -1.26 -2.19 117.98 115.41 1fhb s PHE 36 Ca -0.11 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 1fhb s PHE 36 Cb 0.06 -4.11 0.00 0.00 0.51 0.00 0.00 43.02 39.48 1fhb s PHE 36 CO 0.87 -2.89 0.00 0.41 0.70 0.00 0.00 175.22 174.31 1fhb n GLY 37 N 5.46 0.40 3.45 4.36 0.00 0.45 -5.02 105.19 114.29 1fhb n GLY 37 Ca 0.23 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.46 2.34 1.02 1.61 1.81 -0.93 -5.02 118.95 117.32 1fhb s ARG 38 Ca 0.00 -0.80 -0.12 0.00 -1.72 0.00 0.00 55.73 53.09 1fhb s ARG 38 Cb 0.00 -2.28 0.20 0.00 -0.45 0.00 0.00 34.95 32.42 1fhb s ARG 38 CO 0.00 0.59 1.08 -1.14 -0.68 0.00 0.00 175.30 175.15 1fhb s GLN 39 N -0.89 0.24 0.32 3.54 0.74 -1.26 -4.24 119.66 118.12 1fhb s GLN 39 Ca 0.12 0.66 -0.28 0.00 0.05 0.00 0.00 55.36 55.91 1fhb s GLN 39 Cb -0.10 -1.70 -0.09 0.00 1.10 0.00 0.00 33.01 32.21 1fhb s GLN 39 CO 0.02 -2.89 1.14 -1.54 -0.55 0.00 0.00 175.29 171.46 1fhb s SER 40 N -3.21 7.00 -0.71 6.67 1.04 0.19 -3.81 113.70 120.87 1fhb s SER 40 Ca 0.66 2.33 -0.00 0.00 0.48 0.00 0.00 55.95 59.42 1fhb s SER 40 Cb -0.20 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.29 1fhb s SER 40 CO 0.59 -0.34 0.67 0.61 0.98 0.00 0.00 173.24 175.75 1fhb n GLY 41 N 0.94 -1.17 2.59 7.32 0.00 -1.26 -4.74 105.19 108.87 1fhb n GLY 41 Ca 0.01 0.43 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.82 2.58 -2.34 1.61 -0.00 -1.25 -5.03 117.38 111.14 1fhb n GLN 42 Ca -0.00 -4.16 -0.04 0.00 -0.00 0.00 0.00 57.00 52.79 1fhb n GLN 42 Cb 0.51 -1.95 -0.01 0.00 -0.00 0.00 0.00 30.24 28.79 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fhb n ALA 43 N -0.25 0.06 -1.24 2.61 0.00 -1.26 -5.10 120.51 115.33 1fhb n ALA 43 Ca 0.29 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1fhb n ALA 43 Cb 0.64 0.17 0.19 0.00 0.00 0.00 0.00 19.45 20.45 1fhb n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fhb n GLU 44 N -0.15 -2.21 -0.99 0.00 1.02 -1.26 -4.86 120.64 112.19 1fhb n GLU 44 Ca -0.02 -1.44 -0.30 0.00 -0.02 0.00 0.00 57.16 55.38 1fhb n GLU 44 Cb 0.08 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.81 3.45 3.96 0.62 0.00 -1.26 -4.88 105.19 104.27 1fhb n GLY 45 Ca 0.12 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 3.21 2.07 -1.04 1.61 6.14 -1.26 -4.97 117.35 123.12 1fhb s TYR 46 Ca 0.50 0.08 -0.24 0.00 0.64 0.00 0.00 57.07 58.05 1fhb s TYR 46 Cb 0.13 -3.28 -0.06 0.00 0.42 0.00 0.00 41.96 39.17 1fhb s TYR 46 CO -0.03 -1.76 1.93 -1.54 0.64 0.00 0.00 175.55 174.79 1fhb s SER 47 N -4.68 5.13 1.05 4.32 1.04 -1.26 -4.95 113.70 114.35 1fhb s SER 47 Ca 0.65 -1.17 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1fhb s SER 47 Cb -0.07 -2.57 0.23 0.00 0.10 0.00 0.00 66.02 63.71 1fhb s SER 47 CO 0.46 -2.86 1.24 -1.22 0.98 0.00 0.00 173.24 171.83 1fhb n TYR 48 N 14.02 -3.97 -4.25 5.02 4.02 -1.26 -5.03 117.16 125.70 1fhb n TYR 48 Ca 0.42 -1.10 -0.17 0.00 -0.01 0.00 0.00 57.90 57.04 1fhb n TYR 48 Cb 0.47 -1.02 -0.13 0.00 -0.02 0.00 0.00 39.34 38.64 1fhb n TYR 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1fhb s THR 49 N -3.62 0.81 0.22 -0.72 -4.23 -1.26 -5.03 115.64 101.81 1fhb s THR 49 Ca 0.72 -0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1fhb s THR 49 Cb -0.03 -0.76 0.18 0.00 1.34 0.00 0.00 72.50 73.23 1fhb s THR 49 CO 0.51 -0.06 1.71 -0.78 -0.54 0.00 0.00 174.62 175.47 1fhb h ASP 50 N 5.08 0.09 -0.12 3.99 3.58 -1.99 -2.35 116.42 124.69 1fhb h ASP 50 Ca -0.35 0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.25 1fhb h ASP 50 Cb 1.19 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 42.30 1fhb h ASP 50 CO 0.45 0.04 -0.44 0.00 -2.88 0.00 0.00 179.24 176.40 1fhb h ALA 51 N 1.50 -0.65 -0.25 -0.78 0.00 -1.86 0.13 119.26 117.35 1fhb h ALA 51 Ca 0.34 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1fhb h ALA 51 Cb 0.51 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1fhb h ALA 51 CO -0.40 -0.96 -0.02 -0.97 0.00 0.00 0.00 179.25 176.90 1fhb h ASN 52 N -0.52 -0.15 0.21 0.00 -0.73 -1.63 0.16 115.58 112.92 1fhb h ASN 52 Ca 0.07 0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.31 1fhb h ASN 52 Cb 0.64 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.32 1fhb h ASN 52 CO -0.40 -0.04 -0.36 0.40 -0.37 0.00 0.00 177.43 176.65 1fhb h ILE 53 N 0.05 0.25 -0.06 2.57 2.04 -1.01 -2.18 117.51 119.17 1fhb h ILE 53 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 1fhb h ILE 53 Cb 0.17 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1fhb h ILE 53 CO -0.22 0.00 -0.20 0.11 0.00 0.00 0.00 178.15 177.84 1fhb h LYS 54 N -0.65 0.10 -0.93 2.37 1.57 -0.47 -0.63 116.57 117.92 1fhb h LYS 54 Ca 0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1fhb h LYS 54 Cb 0.64 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1fhb h LYS 54 CO -0.16 0.30 0.09 1.17 -0.57 0.00 0.00 179.45 180.28 1fhb n LYS 55 N -4.26 1.84 -0.50 3.15 3.00 0.53 -4.95 118.16 116.97 1fhb n LYS 55 Ca -0.02 -0.95 -0.06 0.00 -0.00 0.00 0.00 58.31 57.29 1fhb n LYS 55 Cb 0.29 -1.57 -0.06 0.00 0.00 0.00 0.00 35.03 33.69 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 0.10 -0.61 -4.71 3.14 5.15 -0.25 -4.87 115.26 113.21 1fhb n ASN 56 Ca 0.13 -0.31 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 1fhb n ASN 56 Cb 0.69 -0.21 -0.09 0.00 -0.53 0.00 0.00 39.78 39.65 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1fhb s VAL 57 N 0.00 4.91 0.48 3.44 1.01 -1.26 -4.77 120.40 124.21 1fhb s VAL 57 Ca 0.33 -0.00 0.31 0.00 0.00 0.00 0.00 61.98 62.61 1fhb s VAL 57 Cb -0.21 -3.17 0.34 0.00 0.00 0.00 0.00 36.38 33.34 1fhb s VAL 57 CO 0.14 0.53 2.16 0.25 0.00 0.00 0.00 175.10 178.18 1fhb h LEU 58 N 5.98 0.00 -2.63 3.92 7.12 -1.89 0.56 115.31 128.37 1fhb h LEU 58 Ca -0.44 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.47 1fhb h LEU 58 Cb 1.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1fhb h LEU 58 CO 0.65 0.06 -0.53 0.79 -0.13 0.00 0.00 178.44 179.29 1fhb n TRP 59 N -3.60 -3.12 -3.40 1.25 5.03 -1.26 -3.23 117.44 109.11 1fhb n TRP 59 Ca -0.02 1.25 -0.20 0.00 3.03 0.00 0.00 57.50 61.56 1fhb n TRP 59 Cb 0.18 -3.63 0.03 0.00 -1.03 0.00 0.00 31.31 26.85 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 -0.88 2.16 -0.13 -0.99 5.75 -1.26 -0.41 116.55 120.79 1fhb n ASP 60 Ca 0.02 -2.49 -0.04 0.00 -0.01 0.00 0.00 54.79 52.27 1fhb n ASP 60 Cb 0.53 -0.22 0.02 0.00 -1.03 0.00 0.00 41.12 40.42 1fhb n ASP 60 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1fhb h GLU 61 N 0.00 -0.03 0.40 0.11 4.81 -1.98 0.73 114.58 118.61 1fhb h GLU 61 Ca -0.27 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1fhb h GLU 61 Cb 1.10 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1fhb h GLU 61 CO 0.40 -0.02 -0.19 -0.97 -0.73 0.00 0.00 179.01 177.50 1fhb h ASN 62 N -0.03 -0.45 -0.80 1.04 -1.24 -1.98 0.13 115.58 112.24 1fhb h ASN 62 Ca 0.21 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.14 1fhb h ASN 62 Cb 0.35 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.48 1fhb h ASN 62 CO -0.47 -0.16 0.53 0.78 -1.29 0.00 0.00 177.43 176.82 1fhb h ASN 63 N -0.75 0.90 -0.36 1.15 4.21 -1.93 -0.56 115.58 118.24 1fhb h ASN 63 Ca -0.05 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.42 1fhb h ASN 63 Cb 0.52 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 1fhb h ASN 63 CO 0.09 0.65 0.17 -0.03 -1.29 0.00 0.00 177.43 177.01 1fhb h MET 64 N 1.07 0.53 -0.27 0.81 4.05 -0.81 0.62 114.93 120.93 1fhb h MET 64 Ca 0.30 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1fhb h MET 64 Cb -0.10 -0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 30.53 1fhb h MET 64 CO -0.07 0.48 -0.37 1.03 0.23 0.00 0.00 176.91 178.21 1fhb h SER 65 N 0.44 -1.18 0.91 1.39 0.87 0.11 0.58 113.55 116.67 1fhb h SER 65 Ca 0.12 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1fhb h SER 65 Cb 0.14 0.52 0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1fhb h SER 65 CO -0.01 -0.36 -0.45 -0.08 -0.53 0.00 0.00 176.83 175.39 1fhb h GLU 66 N -0.36 -1.19 -0.61 2.24 4.57 -0.97 -2.76 114.58 115.49 1fhb h GLU 66 Ca 0.12 0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.49 1fhb h GLU 66 Cb 0.57 0.27 -0.12 0.00 -0.16 0.00 0.00 28.75 29.32 1fhb h GLU 66 CO -0.47 -0.80 -0.35 -0.92 -1.18 0.00 0.00 179.01 175.30 1fhb h TYR 67 N -1.24 -0.98 -0.87 0.92 3.20 -0.63 -0.96 116.97 116.40 1fhb h TYR 67 Ca -0.12 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1fhb h TYR 67 Cb 0.96 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 39.70 1fhb h TYR 67 CO -0.02 -0.39 0.58 -0.07 -1.64 0.00 0.00 178.16 176.62 1fhb h LEU 68 N -0.16 1.00 -1.41 2.82 3.38 -0.86 0.18 115.31 120.25 1fhb h LEU 68 Ca 0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1fhb h LEU 68 Cb 0.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fhb h LEU 68 CO -0.70 0.72 -0.02 0.71 0.09 0.00 0.00 178.44 179.24 1fhb h THR 69 N 1.18 1.16 -1.06 0.22 1.35 -0.91 0.13 112.91 114.98 1fhb h THR 69 Ca 0.32 -0.64 -0.27 0.00 -0.55 0.00 0.00 66.41 65.27 1fhb h THR 69 Cb -0.13 1.00 -0.21 0.00 -1.73 0.00 0.00 68.15 67.08 1fhb h THR 69 CO -0.07 0.21 -0.62 -0.46 -0.25 0.00 0.00 175.52 174.33 1fhb n ASN 70 N -4.33 -2.54 -0.78 5.36 0.23 0.21 -4.19 115.26 109.22 1fhb n ASN 70 Ca 0.00 -2.91 0.00 0.00 -0.53 0.00 0.00 54.58 51.15 1fhb n ASN 70 Cb 0.21 1.20 0.00 0.00 -2.08 0.00 0.00 39.78 39.12 1fhb n ASN 70 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1fhb n PRO 71 N 2.47 0.42 0.00 -0.53 -0.04 0.40 -1.44 135.00 136.28 1fhb n PRO 71 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1fhb n PRO 71 Cb 0.56 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.57 0.00 -0.19 0.54 4.81 -1.26 -0.62 118.16 122.01 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 0.16 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.23 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 0.84 -3.61 5.64 3.20 -1.59 -3.33 116.97 118.11 1fhb h TYR 74 Ca 0.00 -0.07 -0.70 0.00 3.14 0.00 0.00 58.73 61.10 1fhb h TYR 74 Cb 0.00 -0.25 -0.24 0.00 1.54 0.00 0.00 36.73 37.78 1fhb h TYR 74 CO 0.00 0.69 -0.53 0.42 -1.64 0.00 0.00 178.16 177.10 1fhb s ILE 75 N -5.52 4.60 -1.52 1.81 -1.09 0.20 -5.01 121.20 114.67 1fhb s ILE 75 Ca -0.13 -0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 57.47 1fhb s ILE 75 Cb 0.12 -3.50 -0.06 0.00 -1.58 0.00 0.00 42.46 37.45 1fhb s ILE 75 CO 0.79 -0.14 2.71 -0.81 -1.23 0.00 0.00 174.94 176.26 1fhb n PRO 76 N 5.00 3.34 0.00 2.79 -0.04 -1.25 -3.92 135.00 140.92 1fhb n PRO 76 Ca -0.12 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1fhb n PRO 76 Cb 0.47 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 3.74 -0.29 2.98 0.55 0.00 -1.26 -4.79 105.19 106.12 1fhb n GLY 77 Ca 0.70 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.69 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 0.54 -0.61 2.61 -1.32 -1.25 -4.19 115.64 111.42 1fhb s THR 78 Ca 0.00 -0.28 0.19 0.00 -1.21 0.00 0.00 61.69 60.39 1fhb s THR 78 Cb 0.00 -0.46 0.19 0.00 -1.51 0.00 0.00 72.50 70.72 1fhb s THR 78 CO 0.00 0.16 1.59 1.17 -2.21 0.00 0.00 174.62 175.33 1fhb n LYS 79 N 3.01 0.12 -1.79 7.08 4.81 -1.26 -4.83 118.16 125.30 1fhb n LYS 79 Ca -0.14 0.42 -0.43 0.00 -0.87 0.00 0.00 58.31 57.29 1fhb n LYS 79 Cb 0.57 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.83 1fhb n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fhb s ALA 80 N -3.25 3.16 -0.39 3.14 0.00 -1.26 -4.91 121.76 118.25 1fhb s ALA 80 Ca 0.04 0.84 0.09 0.00 0.00 0.00 0.00 51.96 52.92 1fhb s ALA 80 Cb 0.08 -3.93 0.28 0.00 0.00 0.00 0.00 23.12 19.55 1fhb s ALA 80 CO 0.30 -2.16 0.63 0.00 0.00 0.00 0.00 175.76 174.53 1fhb n ALA 81 N 9.38 1.94 -0.12 0.00 0.00 -1.26 -4.93 120.51 125.53 1fhb n ALA 81 Ca 0.23 -3.20 -0.16 0.00 0.00 0.00 0.00 53.44 50.31 1fhb n ALA 81 Cb 0.44 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1fhb n ALA 81 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1fhb n PHE 82 N 1.06 0.00 0.00 0.00 1.16 -1.26 -5.09 117.46 113.34 1fhb n PHE 82 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 1fhb n PHE 82 Cb 0.58 -0.91 0.00 0.00 -1.61 0.00 0.00 39.48 37.54 1fhb n PHE 82 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1fhb n GLY 83 N 2.34 2.59 3.55 4.97 0.00 -1.26 -5.11 105.19 112.28 1fhb n GLY 83 Ca -0.41 -0.44 -0.56 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.05 3.56 -0.02 0.00 -1.26 -4.81 105.19 102.71 1fhb n GLY 84 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 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 0.36 3.23 0.05 0.99 1.43 0.44 -4.84 118.68 120.33 1fhb s LEU 85 Ca 0.89 -0.99 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 1fhb s LEU 85 Cb -1.15 -2.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.37 1fhb s LEU 85 CO 0.54 -2.54 1.39 0.11 0.23 0.00 0.00 176.35 176.08 1fhb h LYS 86 N 10.72 -0.82 -5.44 1.70 1.79 -1.86 -3.37 116.57 119.29 1fhb h LYS 86 Ca 0.14 0.06 -0.44 0.00 -2.18 0.00 0.00 60.65 58.23 1fhb h LYS 86 Cb 0.99 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 1fhb h LYS 86 CO 1.25 -0.55 1.57 0.36 -1.08 0.00 0.00 179.45 181.01 1fhb n LYS 87 N -4.53 0.76 -0.13 3.15 2.85 -1.26 -4.82 118.16 114.17 1fhb n LYS 87 Ca -0.10 -0.06 0.13 0.00 -1.05 0.00 0.00 58.31 57.22 1fhb n LYS 87 Cb 0.35 -2.99 0.48 0.00 -0.65 0.00 0.00 35.03 32.22 1fhb n LYS 87 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1fhb h GLU 88 N 17.37 0.45 0.36 -1.58 4.11 -1.97 -1.20 114.58 132.12 1fhb h GLU 88 Ca -0.18 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1fhb h GLU 88 Cb 1.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1fhb h GLU 88 CO 1.21 0.30 -0.33 0.87 0.07 0.00 0.00 179.01 181.12 1fhb h LYS 89 N 0.46 -0.66 -0.29 1.06 1.79 -1.98 0.28 116.57 117.23 1fhb h LYS 89 Ca 0.32 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.81 1fhb h LYS 89 Cb 0.63 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1fhb h LYS 89 CO -0.10 -0.44 0.07 -0.44 -1.08 0.00 0.00 179.45 177.46 1fhb h ASP 90 N -0.69 0.44 -0.71 0.86 3.32 -1.91 -2.72 116.42 115.01 1fhb h ASP 90 Ca -0.05 -0.23 0.15 0.00 0.02 0.00 0.00 57.03 56.93 1fhb h ASP 90 Cb 0.59 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.92 1fhb h ASP 90 CO -0.02 0.55 0.15 -0.09 -1.72 0.00 0.00 179.24 178.11 1fhb h ARG 91 N 0.30 0.24 0.02 3.56 2.43 -1.21 0.83 114.38 120.56 1fhb h ARG 91 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1fhb h ARG 91 Cb 0.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1fhb h ARG 91 CO 0.00 0.16 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.68 1fhb h ASN 92 N 0.25 -0.09 0.03 -3.80 4.21 -0.13 0.26 115.58 116.32 1fhb h ASN 92 Ca 0.40 0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.93 1fhb h ASN 92 Cb 0.67 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.89 1fhb h ASN 92 CO -0.50 -0.05 -0.10 0.44 -1.29 0.00 0.00 177.43 175.92 1fhb h ASP 93 N -0.07 -0.28 -0.12 5.81 3.32 -1.20 0.57 116.42 124.45 1fhb h ASP 93 Ca 0.01 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1fhb h ASP 93 Cb 0.08 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1fhb h ASP 93 CO -0.02 -0.15 -0.36 0.25 -1.72 0.00 0.00 179.24 177.24 1fhb h LEU 94 N -0.19 -1.13 -0.51 1.55 5.85 -0.59 0.16 115.31 120.45 1fhb h LEU 94 Ca 0.03 0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1fhb h LEU 94 Cb 0.22 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1fhb h LEU 94 CO -0.08 -0.39 0.24 0.40 -0.34 0.00 0.00 178.44 178.27 1fhb h ILE 95 N -0.44 0.91 -0.19 4.05 2.04 -0.35 0.11 117.51 123.65 1fhb h ILE 95 Ca 0.09 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1fhb h ILE 95 Cb 0.58 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1fhb h ILE 95 CO -0.37 0.08 -0.06 0.74 0.00 0.00 0.00 178.15 178.55 1fhb h THR 96 N 0.46 0.78 0.01 -0.27 2.02 -0.10 0.19 112.91 115.99 1fhb h THR 96 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1fhb h THR 96 Cb 0.18 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1fhb h THR 96 CO -0.19 0.00 -0.23 0.22 0.37 0.00 0.00 175.52 175.69 1fhb h TYR 97 N -0.02 -0.62 -0.19 3.16 3.20 -0.10 -1.92 116.97 120.48 1fhb h TYR 97 Ca 0.09 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1fhb h TYR 97 Cb 0.16 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1fhb h TYR 97 CO -0.22 -0.32 -0.05 1.25 -1.64 0.00 0.00 178.16 177.18 1fhb h LEU 98 N -0.37 -0.19 -0.76 2.82 5.85 -0.30 0.21 115.31 122.57 1fhb h LEU 98 Ca 0.06 0.06 0.16 0.00 0.84 0.00 0.00 57.88 59.00 1fhb h LEU 98 Cb 0.45 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.49 1fhb h LEU 98 CO -0.21 -0.07 0.24 0.50 -0.34 0.00 0.00 178.44 178.57 1fhb h LYS 99 N -0.00 0.33 0.25 1.25 3.64 -0.43 0.38 116.57 121.98 1fhb h LYS 99 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1fhb h LYS 99 Cb 0.14 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1fhb h LYS 99 CO -0.20 0.22 -0.12 -0.22 -2.27 0.00 0.00 179.45 176.86 1fhb h LYS 100 N 0.34 -0.33 0.00 1.90 3.11 -0.53 -3.28 116.57 117.78 1fhb h LYS 100 Ca 0.43 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1fhb h LYS 100 Cb 0.72 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1fhb h LYS 100 CO -0.48 0.03 0.08 0.00 -2.81 0.00 0.00 179.45 176.27 1fhb h ALA 101 N -0.46 1.08 -0.06 5.00 0.00 -0.04 0.28 119.26 125.05 1fhb h ALA 101 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fhb h ALA 101 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1fhb h ALA 101 CO 0.06 -0.08 0.07 1.03 0.00 0.00 0.00 179.25 180.33 1fhb h SER 102 N 0.00 0.00 -0.01 0.00 0.87 -0.32 -3.44 113.55 110.65 1fhb h SER 102 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fhb h SER 102 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1fhb h SER 102 CO 0.00 0.00 0.00 1.21 -0.53 0.00 0.00 176.83 177.51