#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 3.25 -0.94 1.09 0.41 -1.26 -4.91 118.70 116.34 1fhb s GLU -4 Ca 0.00 1.28 -0.25 0.00 -0.41 0.00 0.00 54.97 55.59 1fhb s GLU -4 Cb 0.00 -4.21 -0.09 0.00 -1.78 0.00 0.00 34.13 28.05 1fhb s GLU -4 CO 0.00 -1.96 2.05 0.12 -0.49 0.00 0.00 175.26 174.98 1fhb s PHE -3 N 7.10 1.66 -0.26 1.61 5.36 -1.26 -4.93 117.98 127.26 1fhb s PHE -3 Ca 0.77 0.99 -0.39 0.00 -0.96 0.00 0.00 56.93 57.34 1fhb s PHE -3 Cb -0.20 -3.86 -0.15 0.00 -0.34 0.00 0.00 43.02 38.46 1fhb s PHE -3 CO 0.32 -1.54 1.79 0.36 -1.46 0.00 0.00 175.22 174.69 1fhb n LYS -2 N 8.70 1.30 -3.83 10.12 2.85 -1.26 -4.96 118.16 131.08 1fhb n LYS -2 Ca 0.42 0.48 -0.36 0.00 -1.05 0.00 0.00 58.31 57.80 1fhb n LYS -2 Cb 0.46 -2.20 -0.06 0.00 -0.65 0.00 0.00 35.03 32.59 1fhb n LYS -2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1fhb s ALA -1 N 3.80 3.88 0.67 0.58 0.00 -1.26 -4.98 121.76 124.43 1fhb s ALA -1 Ca 0.98 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1fhb s ALA -1 Cb -1.01 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1fhb s ALA -1 CO 0.63 0.64 0.00 0.41 0.00 0.00 0.00 175.76 177.45 1fhb n GLY 1 N 1.57 0.10 0.00 0.00 0.00 0.15 -4.98 105.19 102.04 1fhb n GLY 1 Ca -0.16 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.43 -0.02 -0.03 1.61 2.88 -1.26 -4.84 113.62 111.53 1fhb n SER 2 Ca 0.00 -0.30 -0.08 0.00 -1.33 0.00 0.00 58.87 57.16 1fhb n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -3.00 2.45 -1.79 -1.46 0.00 -1.26 -3.78 120.51 111.67 1fhb n ALA 3 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 1fhb n ALA 3 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 1fhb n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fhb s LYS 4 N -2.17 4.38 0.00 0.00 1.02 -1.26 -1.08 119.74 120.62 1fhb s LYS 4 Ca -0.11 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.06 1fhb s LYS 4 Cb 0.04 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1fhb s LYS 4 CO 0.14 -0.17 0.00 1.17 -0.92 0.00 0.00 175.35 175.57 1fhb n LYS 5 N 1.03 0.00 -0.26 1.68 4.81 -1.26 -4.75 118.16 119.40 1fhb n LYS 5 Ca 0.01 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1fhb n LYS 5 Cb 0.42 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.67 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 1.18 0.45 3.14 0.00 -1.71 0.21 103.07 106.34 1fhb h GLY 6 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1fhb h GLY 6 CO 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 176.54 176.44 1fhb h ALA 7 N 1.59 0.39 -0.58 3.60 0.00 -1.40 0.31 119.26 123.17 1fhb h ALA 7 Ca 0.44 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1fhb h ALA 7 Cb 0.71 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1fhb h ALA 7 CO -0.44 -0.36 0.12 1.15 0.00 0.00 0.00 179.25 179.72 1fhb h THR 8 N 0.16 1.25 0.42 0.00 2.02 -1.05 0.17 112.91 115.88 1fhb h THR 8 Ca 0.19 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1fhb h THR 8 Cb 0.25 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1fhb h THR 8 CO -0.28 0.34 -0.24 -0.07 0.37 0.00 0.00 175.52 175.64 1fhb h LEU 9 N 0.84 -0.58 -0.44 2.58 -0.00 -0.39 0.15 115.31 117.47 1fhb h LEU 9 Ca 0.18 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.18 1fhb h LEU 9 Cb 0.37 0.17 -0.10 0.00 -0.00 0.00 0.00 40.66 41.11 1fhb h LEU 9 CO 0.01 -0.39 -0.32 0.15 -0.00 0.00 0.00 178.44 177.89 1fhb h PHE 10 N -0.62 -0.87 -0.91 1.13 3.57 -0.74 -0.38 116.94 118.12 1fhb h PHE 10 Ca -0.05 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1fhb h PHE 10 Cb 0.50 0.45 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1fhb h PHE 10 CO -0.08 -0.37 0.59 0.87 -2.23 0.00 0.00 178.31 177.09 1fhb h LYS 11 N -0.22 1.08 0.00 1.11 1.57 -0.59 0.18 116.57 119.70 1fhb h LYS 11 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1fhb h LYS 11 Cb 0.53 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1fhb h LYS 11 CO -0.56 0.72 -0.23 0.25 -0.57 0.00 0.00 179.45 179.05 1fhb n THR 12 N -4.53 0.07 0.09 -0.16 -2.24 0.49 -4.43 114.28 103.57 1fhb n THR 12 Ca 0.12 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1fhb n THR 12 Cb 0.12 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.60 0.00 0.02 -0.78 1.74 -0.25 -4.89 116.66 110.90 1fhb n ARG 13 Ca 0.06 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.95 1fhb n ARG 13 Cb 0.35 -0.16 -0.14 0.00 -1.02 0.00 0.00 32.46 31.49 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 -0.45 0.32 -0.95 0.00 5.85 -1.14 0.10 115.31 119.04 1fhb h LEU 15 Ca -0.11 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1fhb h LEU 15 Cb 1.49 0.02 -0.16 0.00 0.37 0.00 0.00 40.66 42.39 1fhb h LEU 15 CO 0.12 0.03 -0.35 1.67 -0.34 0.00 0.00 178.44 179.57 1fhb n GLN 16 N -4.53 -0.20 -0.05 1.25 7.27 -1.23 -3.54 117.38 116.34 1fhb n GLN 16 Ca 0.27 1.47 -0.05 0.00 0.07 0.00 0.00 57.00 58.76 1fhb n GLN 16 Cb 1.03 -2.19 -0.08 0.00 2.41 0.00 0.00 30.24 31.42 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 -2.24 1.69 0.06 0.00 3.76 0.10 -0.86 115.29 117.80 1fhb s HIS 18 Ca -0.05 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1fhb s HIS 18 Cb 0.03 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1fhb s HIS 18 CO 0.40 -0.52 -0.09 0.95 -0.85 0.00 0.00 174.74 174.63 1fhb s THR 19 N -2.74 0.73 -0.03 1.30 -4.23 -1.26 -4.42 115.64 104.99 1fhb s THR 19 Ca 0.38 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1fhb s THR 19 Cb -0.03 -0.96 -0.08 0.00 1.34 0.00 0.00 72.50 72.77 1fhb s THR 19 CO 0.24 -0.45 0.09 0.55 -0.54 0.00 0.00 174.62 174.50 1fhb n VAL 20 N 1.07 0.17 -2.20 2.29 3.14 -1.26 -0.72 118.33 120.82 1fhb n VAL 20 Ca -0.20 -0.18 -0.37 0.00 -2.96 0.00 0.00 64.34 60.62 1fhb n VAL 20 Cb 0.56 -0.15 -0.00 0.00 -1.06 0.00 0.00 33.84 33.18 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 -2.31 3.72 0.11 1.45 1.03 -1.26 -4.11 118.70 117.33 1fhb s GLU 21 Ca -0.02 1.85 -0.32 0.00 0.03 0.00 0.00 54.97 56.50 1fhb s GLU 21 Cb 0.03 -2.42 -0.11 0.00 -0.80 0.00 0.00 34.13 30.83 1fhb s GLU 21 CO 0.25 -0.61 1.81 1.63 -1.33 0.00 0.00 175.26 177.01 1fhb n LYS 22 N -0.48 2.69 -0.63 -4.83 5.02 -1.26 -1.55 118.16 117.11 1fhb n LYS 22 Ca 0.07 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1fhb n LYS 22 Cb 0.47 -2.86 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 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 4.16 1.01 3.77 0.72 0.00 -1.26 -5.04 105.19 108.55 1fhb n GLY 23 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.75 2.85 0.65 -0.02 0.00 -0.60 -4.98 107.32 103.47 1fhb s GLY 24 Ca 0.00 1.43 -0.12 0.00 0.00 0.00 0.00 44.72 46.02 1fhb s GLY 24 CO 0.00 2.14 1.05 2.56 0.00 0.00 0.00 173.10 178.85 1fhb s PRO 25 N -1.70 3.18 -1.48 2.90 0.04 -1.26 -4.62 135.00 132.06 1fhb s PRO 25 Ca 0.53 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 1fhb s PRO 25 Cb -0.43 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1fhb s PRO 25 CO 0.56 -0.91 2.49 0.72 0.04 0.00 0.00 177.00 179.90 1fhb n HIS 26 N -2.74 2.98 0.00 0.56 8.25 -1.26 -4.30 115.22 118.71 1fhb n HIS 26 Ca 0.07 -2.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.59 1fhb n HIS 26 Cb 0.53 -2.47 0.00 0.00 1.12 0.00 0.00 29.99 29.17 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 5.15 0.00 -0.13 -0.41 5.02 -1.26 -4.59 118.16 121.94 1fhb n LYS 27 Ca 0.62 0.10 -0.27 0.00 -2.02 0.00 0.00 58.31 56.74 1fhb n LYS 27 Cb 0.32 -0.89 -0.09 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.49 1.40 -3.89 -0.18 0.31 -0.27 -5.00 118.33 110.21 1fhb n VAL 28 Ca 0.00 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 63.77 1fhb n VAL 28 Cb 0.00 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 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 -5.46 1.36 0.62 2.92 0.00 -0.04 -5.00 107.32 101.71 1fhb s GLY 29 Ca -0.36 -1.34 -0.16 0.00 0.00 0.00 0.00 44.72 42.87 1fhb s GLY 29 CO 0.45 -1.34 1.10 2.56 0.00 0.00 0.00 173.10 175.87 1fhb s PRO 30 N -3.99 3.04 0.23 2.90 0.04 -1.26 -4.43 135.00 131.53 1fhb s PRO 30 Ca 0.36 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 1fhb s PRO 30 Cb -0.09 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1fhb s PRO 30 CO 0.28 -1.06 1.70 1.21 0.04 0.00 0.00 177.00 179.17 1fhb s ASN 31 N -2.51 6.36 -0.07 6.66 3.84 -1.26 -4.40 114.94 123.55 1fhb s ASN 31 Ca 0.67 2.91 0.16 0.00 0.21 0.00 0.00 52.86 56.80 1fhb s ASN 31 Cb -0.20 -2.61 0.57 0.00 -0.55 0.00 0.00 41.25 38.46 1fhb s ASN 31 CO 0.38 -0.97 1.46 0.18 -2.79 0.00 0.00 177.10 175.36 1fhb n LEU 32 N 3.47 3.76 -4.56 3.21 4.77 0.10 -4.84 117.00 122.91 1fhb n LEU 32 Ca 0.14 -1.89 -0.37 0.00 -0.03 0.00 0.00 56.01 53.86 1fhb n LEU 32 Cb 0.36 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1fhb n LEU 32 CO 0.64 0.70 1.51 -2.28 -1.33 0.00 0.00 177.39 176.63 1fhb s HIS 33 N -1.65 2.35 0.00 -1.77 2.46 -1.26 -2.63 115.29 112.79 1fhb s HIS 33 Ca 0.41 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1fhb s HIS 33 Cb 0.25 -4.50 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 1fhb s HIS 33 CO 0.22 -1.83 0.00 0.41 -2.47 0.00 0.00 174.74 171.06 1fhb n GLY 34 N 6.64 1.00 0.08 1.59 0.00 -1.25 -5.04 105.19 108.21 1fhb n GLY 34 Ca 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 1.63 -1.76 -0.61 6.09 -1.74 -3.41 117.51 117.71 1fhb h ILE 35 Ca 0.00 -2.33 -0.61 0.00 -1.37 0.00 0.00 64.86 60.54 1fhb h ILE 35 Cb 0.00 3.18 -0.00 0.00 0.47 0.00 0.00 36.82 40.47 1fhb h ILE 35 CO 0.00 0.57 1.42 0.49 -3.07 0.00 0.00 178.15 177.56 1fhb n PHE 36 N -4.54 1.94 -1.02 2.19 3.72 -1.26 -0.82 117.46 117.66 1fhb n PHE 36 Ca -0.14 -0.02 -0.01 0.00 -0.05 0.00 0.00 57.45 57.23 1fhb n PHE 36 Cb 0.54 -2.67 -0.00 0.00 -0.94 0.00 0.00 39.48 36.40 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 5.77 0.46 3.45 1.37 0.00 0.19 -5.01 105.19 111.42 1fhb n GLY 37 Ca 0.32 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.58 2.16 0.74 1.61 3.00 -0.00 -4.93 118.95 119.95 1fhb s ARG 38 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 55.73 54.66 1fhb s ARG 38 Cb 0.00 -2.21 0.04 0.00 0.00 0.00 0.00 34.95 32.78 1fhb s ARG 38 CO 0.00 0.56 1.25 1.14 0.00 0.00 0.00 175.30 178.24 1fhb s GLN 39 N -1.23 2.01 0.23 3.54 -2.07 -1.26 -3.95 119.66 116.93 1fhb s GLN 39 Ca 0.14 1.90 -0.30 0.00 -1.82 0.00 0.00 55.36 55.27 1fhb s GLN 39 Cb -0.10 -1.80 -0.09 0.00 -1.09 0.00 0.00 33.01 29.92 1fhb s GLN 39 CO 0.04 -1.97 1.33 -1.54 -1.32 0.00 0.00 175.29 171.83 1fhb s SER 40 N -1.82 6.84 -0.15 12.60 1.04 0.20 -3.85 113.70 128.55 1fhb s SER 40 Ca 0.77 2.49 -0.02 0.00 0.48 0.00 0.00 55.95 59.68 1fhb s SER 40 Cb -0.33 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.18 1fhb s SER 40 CO 0.46 -0.56 0.17 0.61 0.98 0.00 0.00 173.24 174.90 1fhb n GLY 41 N 2.11 -0.70 0.00 7.32 0.00 -1.26 -4.51 105.19 108.15 1fhb n GLY 41 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.83 2.75 -1.24 1.61 10.64 -1.25 -4.97 117.38 124.10 1fhb n GLN 42 Ca 0.02 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.86 1fhb n GLN 42 Cb 0.31 -0.88 0.10 0.00 -0.86 0.00 0.00 30.24 28.91 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 -1.72 2.05 0.00 2.61 0.00 -1.26 -5.03 121.76 118.41 1fhb s ALA 43 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1fhb s ALA 43 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1fhb s ALA 43 CO 0.00 -1.97 0.00 0.39 0.00 0.00 0.00 175.76 174.18 1fhb n GLU 44 N -3.32 0.00 -1.38 0.00 1.02 -1.26 -4.84 120.64 110.86 1fhb n GLU 44 Ca 0.11 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.86 1fhb n GLU 44 Cb 0.52 -0.21 -0.02 0.00 -0.02 0.00 0.00 31.44 31.71 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 2.43 3.81 3.55 0.62 0.00 -1.26 -4.79 105.19 109.56 1fhb n GLY 45 Ca 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 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 3.41 -0.55 -1.21 1.61 5.04 -1.26 -4.98 117.35 119.40 1fhb s TYR 46 Ca 0.53 0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 55.96 1fhb s TYR 46 Cb 0.14 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.85 1fhb s TYR 46 CO -0.03 -0.48 1.93 -1.13 -1.34 0.00 0.00 175.55 174.50 1fhb n SER 47 N 1.01 3.81 -2.15 4.32 3.41 -1.26 -4.94 113.62 117.81 1fhb n SER 47 Ca -0.15 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1fhb n SER 47 Cb 0.57 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1fhb n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1fhb n TYR 48 N 9.27 -3.45 -4.04 7.33 4.01 -1.26 -4.98 117.16 124.03 1fhb n TYR 48 Ca 0.49 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 58.10 1fhb n TYR 48 Cb 0.44 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.87 0.34 0.21 -0.72 -4.23 -1.26 -5.02 115.64 104.09 1fhb s THR 49 Ca 0.00 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 1fhb s THR 49 Cb 0.00 -0.39 0.15 0.00 1.34 0.00 0.00 72.50 73.60 1fhb s THR 49 CO 0.00 -0.24 1.72 -0.78 -0.54 0.00 0.00 174.62 174.78 1fhb h ASP 50 N 5.11 0.08 -0.35 3.99 3.58 -1.99 -2.02 116.42 124.82 1fhb h ASP 50 Ca -0.32 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.28 1fhb h ASP 50 Cb 1.20 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 42.29 1fhb h ASP 50 CO 0.44 0.05 -0.54 0.00 -2.88 0.00 0.00 179.24 176.32 1fhb h ALA 51 N 1.45 -0.76 -0.01 -0.78 0.00 -1.87 0.18 119.26 117.47 1fhb h ALA 51 Ca 0.31 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1fhb h ALA 51 Cb 0.43 1.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1fhb h ALA 51 CO -0.36 -1.03 -0.13 -0.97 0.00 0.00 0.00 179.25 176.75 1fhb h ASN 52 N -0.43 -0.39 -0.01 0.00 -0.73 -1.79 -0.80 115.58 111.43 1fhb h ASN 52 Ca 0.07 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.33 1fhb h ASN 52 Cb 0.62 0.17 -0.06 0.00 0.27 0.00 0.00 38.32 39.32 1fhb h ASN 52 CO -0.56 -0.19 -0.41 0.40 -0.37 0.00 0.00 177.43 176.31 1fhb h ILE 53 N -0.22 0.17 -0.31 2.57 2.04 -0.76 -0.91 117.51 120.09 1fhb h ILE 53 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1fhb h ILE 53 Cb 0.29 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1fhb h ILE 53 CO -0.14 0.00 0.21 0.11 0.00 0.00 0.00 178.15 178.33 1fhb h LYS 54 N -0.56 0.35 -0.89 2.37 1.57 -0.58 0.30 116.57 119.14 1fhb h LYS 54 Ca 0.05 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1fhb h LYS 54 Cb 0.64 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1fhb h LYS 54 CO -0.31 0.23 0.04 1.17 -0.57 0.00 0.00 179.45 180.01 1fhb n LYS 55 N -4.49 2.09 -0.30 3.15 3.00 -0.32 -4.95 118.16 116.34 1fhb n LYS 55 Ca 0.02 -1.01 -0.08 0.00 -0.00 0.00 0.00 58.31 57.24 1fhb n LYS 55 Cb 0.11 -1.67 -0.03 0.00 0.00 0.00 0.00 35.03 33.44 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 0.15 0.05 -4.08 3.14 5.15 0.09 -4.90 115.26 114.86 1fhb n ASN 56 Ca 0.11 0.03 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 1fhb n ASN 56 Cb 0.63 -0.18 -0.16 0.00 -0.53 0.00 0.00 39.78 39.53 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 1.73 1.72 0.64 3.44 1.01 -1.26 -4.87 120.40 122.81 1fhb s VAL 57 Ca 0.27 -0.75 0.22 0.00 0.00 0.00 0.00 61.98 61.72 1fhb s VAL 57 Cb -0.25 -1.56 0.26 0.00 0.00 0.00 0.00 36.38 34.82 1fhb s VAL 57 CO 0.10 0.48 1.63 0.25 0.00 0.00 0.00 175.10 177.56 1fhb h LEU 58 N 7.66 0.00 -2.53 3.92 7.12 -1.91 0.57 115.31 130.14 1fhb h LEU 58 Ca -0.35 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.41 1fhb h LEU 58 Cb 1.16 0.00 0.17 0.00 -0.53 0.00 0.00 40.66 41.46 1fhb h LEU 58 CO 0.54 0.00 -0.79 0.79 -0.13 0.00 0.00 178.44 178.84 1fhb n TRP 59 N -3.01 -2.46 -1.82 1.25 5.03 -1.25 -1.93 117.44 113.25 1fhb n TRP 59 Ca 0.03 0.84 -0.30 0.00 3.03 0.00 0.00 57.50 61.11 1fhb n TRP 59 Cb 0.71 -4.05 0.06 0.00 -1.03 0.00 0.00 31.31 27.00 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 -3.36 5.15 0.49 -0.99 -4.77 -1.26 -0.63 116.67 111.30 1fhb s ASP 60 Ca 0.42 1.12 0.15 0.00 -3.30 0.00 0.00 52.55 50.95 1fhb s ASP 60 Cb -0.07 -1.87 1.19 0.00 -1.09 0.00 0.00 42.92 41.08 1fhb s ASP 60 CO 0.75 -1.53 2.10 -0.33 0.70 0.00 0.00 175.17 176.87 1fhb h GLU 61 N -0.79 0.13 0.03 2.11 5.08 -1.97 -0.17 114.58 119.00 1fhb h GLU 61 Ca -0.45 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1fhb h GLU 61 Cb 1.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1fhb h GLU 61 CO 0.63 0.09 -0.18 -0.97 -1.00 0.00 0.00 179.01 177.58 1fhb h ASN 62 N 0.13 0.11 -0.48 1.42 -1.24 -1.97 0.30 115.58 113.85 1fhb h ASN 62 Ca 0.08 -0.97 0.05 0.00 0.71 0.00 0.00 56.30 56.17 1fhb h ASN 62 Cb 0.14 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 1fhb h ASN 62 CO -0.01 1.06 0.23 0.78 -1.29 0.00 0.00 177.43 178.20 1fhb h ASN 63 N -0.83 0.31 -0.90 1.15 2.35 -1.95 -2.47 115.58 113.24 1fhb h ASN 63 Ca -0.03 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fhb h ASN 63 Cb 1.12 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1fhb h ASN 63 CO 0.03 0.22 0.56 -0.03 -1.65 0.00 0.00 177.43 176.56 1fhb h MET 64 N 0.45 1.21 -0.25 0.81 4.05 -1.02 -0.14 114.93 120.04 1fhb h MET 64 Ca 0.22 -0.10 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1fhb h MET 64 Cb 0.15 -0.26 -0.07 0.00 -0.80 0.00 0.00 31.60 30.62 1fhb h MET 64 CO -0.17 0.83 -0.20 0.77 0.23 0.00 0.00 176.91 178.37 1fhb h SER 65 N 1.23 -0.66 -0.12 1.39 0.02 -0.51 0.12 113.55 115.02 1fhb h SER 65 Ca 0.32 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1fhb h SER 65 Cb -0.08 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1fhb h SER 65 CO -0.06 -0.24 0.06 -0.08 -1.14 0.00 0.00 176.83 175.36 1fhb h GLU 66 N -0.20 0.17 -0.33 3.45 4.57 -0.91 0.11 114.58 121.45 1fhb h GLU 66 Ca 0.14 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 1fhb h GLU 66 Cb 0.41 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 1fhb h GLU 66 CO -0.37 0.23 -0.27 -0.92 -1.18 0.00 0.00 179.01 176.50 1fhb h TYR 67 N 0.07 -0.74 -0.35 0.92 3.20 -0.82 0.18 116.97 119.43 1fhb h TYR 67 Ca 0.04 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1fhb h TYR 67 Cb 0.11 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1fhb h TYR 67 CO -0.03 -0.35 0.24 -0.07 -1.64 0.00 0.00 178.16 176.31 1fhb h LEU 68 N -0.24 0.28 -1.05 2.82 4.07 -0.45 0.12 115.31 120.85 1fhb h LEU 68 Ca 0.16 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1fhb h LEU 68 Cb 0.50 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1fhb h LEU 68 CO -0.47 0.19 -0.08 0.74 -1.08 0.00 0.00 178.44 177.74 1fhb h THR 69 N 0.32 1.23 -0.86 0.22 2.02 0.20 0.28 112.91 116.32 1fhb h THR 69 Ca 0.15 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 1fhb h THR 69 Cb 0.19 1.05 -0.16 0.00 -1.74 0.00 0.00 68.15 67.49 1fhb h THR 69 CO -0.03 0.33 -0.42 0.54 0.37 0.00 0.00 175.52 176.31 1fhb s ASN 70 N -6.73 -1.25 0.00 4.18 2.20 0.01 -4.38 114.94 108.96 1fhb s ASN 70 Ca -0.08 -1.39 0.00 0.00 -0.94 0.00 0.00 52.86 50.45 1fhb s ASN 70 Cb 0.15 1.64 0.00 0.00 -2.00 0.00 0.00 41.25 41.03 1fhb s ASN 70 CO 0.79 -0.06 0.36 -0.81 -2.94 0.00 0.00 177.10 174.44 1fhb n PRO 71 N 3.05 0.40 0.00 3.55 -0.04 0.24 -0.95 135.00 141.25 1fhb n PRO 71 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1fhb n PRO 71 Cb 0.58 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.70 0.00 0.10 0.54 4.81 -1.26 -0.48 118.16 122.57 1fhb n LYS 73 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1fhb n LYS 73 Cb 0.18 0.00 0.53 0.00 0.02 0.00 0.00 35.03 35.76 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 0.28 -3.64 5.64 5.03 -1.40 -3.26 116.97 119.62 1fhb h TYR 74 Ca 0.00 0.01 -0.68 0.00 2.58 0.00 0.00 58.73 60.63 1fhb h TYR 74 Cb 0.00 -0.09 -0.35 0.00 1.55 0.00 0.00 36.73 37.84 1fhb h TYR 74 CO 0.00 0.17 -0.65 0.42 -1.32 0.00 0.00 178.16 176.79 1fhb s ILE 75 N -5.30 2.97 -1.21 1.81 1.01 0.37 -5.05 121.20 115.80 1fhb s ILE 75 Ca -0.07 -1.82 -0.20 0.00 0.00 0.00 0.00 60.65 58.56 1fhb s ILE 75 Cb 0.17 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1fhb s ILE 75 CO 0.71 -0.42 1.88 -0.81 0.00 0.00 0.00 174.94 176.29 1fhb n PRO 76 N 4.54 2.29 0.00 2.79 -0.04 -1.23 -2.52 135.00 140.84 1fhb n PRO 76 Ca -0.06 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.66 1fhb n PRO 76 Cb 0.42 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.33 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 5.43 1.22 3.78 0.55 0.00 -1.26 -4.80 105.19 110.10 1fhb n GLY 77 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.45 3.22 -0.44 2.61 -1.32 -1.05 -4.68 115.64 112.54 1fhb s THR 78 Ca 0.00 0.81 0.24 0.00 -1.21 0.00 0.00 61.69 61.54 1fhb s THR 78 Cb 0.00 -3.36 0.26 0.00 -1.51 0.00 0.00 72.50 67.89 1fhb s THR 78 CO 0.00 -0.12 1.73 0.50 -2.21 0.00 0.00 174.62 174.53 1fhb h LYS 79 N 1.53 0.00 -5.43 7.08 3.64 -1.94 -3.44 116.57 118.01 1fhb h LYS 79 Ca -0.50 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.75 1fhb h LYS 79 Cb 1.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1fhb h LYS 79 CO 0.58 0.00 0.38 0.00 -2.27 0.00 0.00 179.45 178.14 1fhb s ALA 80 N -3.34 1.08 -0.72 5.00 0.00 -1.26 -4.85 121.76 117.68 1fhb s ALA 80 Ca 0.04 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1fhb s ALA 80 Cb 0.09 -4.61 -0.07 0.00 0.00 0.00 0.00 23.12 18.54 1fhb s ALA 80 CO 0.41 -5.69 2.12 0.00 0.00 0.00 0.00 175.76 172.60 1fhb n ALA 81 N 16.91 4.50 -2.45 0.00 0.00 -1.26 -4.83 120.51 133.37 1fhb n ALA 81 Ca 0.44 -1.76 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 1fhb n ALA 81 Cb 0.45 -2.84 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 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 3.12 2.58 0.00 0.00 5.36 -1.26 -5.09 117.98 122.69 1fhb s PHE 82 Ca 0.38 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.11 1fhb s PHE 82 Cb 0.12 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.29 1fhb s PHE 82 CO -0.03 0.21 0.26 0.41 -1.46 0.00 0.00 175.22 174.62 1fhb n GLY 83 N 1.80 -0.98 0.00 13.12 0.00 -1.26 -4.65 105.19 113.22 1fhb n GLY 83 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.23 4.23 3.09 -0.02 0.00 -1.26 -4.39 105.19 108.07 1fhb n GLY 84 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 5.00 -0.26 0.99 4.77 0.98 -4.73 117.00 123.74 1fhb n LEU 85 Ca 0.00 -3.47 0.03 0.00 -0.03 0.00 0.00 56.01 52.54 1fhb n LEU 85 Cb 0.00 -1.45 0.17 0.00 -2.33 0.00 0.00 43.42 39.80 1fhb n LEU 85 CO 0.00 0.01 1.07 0.50 -1.33 0.00 0.00 177.39 177.64 1fhb h LYS 86 N 7.45 0.58 -1.21 3.23 3.11 -1.81 -3.28 116.57 124.64 1fhb h LYS 86 Ca 0.45 -0.03 0.41 0.00 -2.81 0.00 0.00 60.65 58.67 1fhb h LYS 86 Cb 0.72 -0.13 -0.14 0.00 -1.00 0.00 0.00 32.23 31.68 1fhb h LYS 86 CO 1.78 0.38 0.75 1.57 -2.81 0.00 0.00 179.45 181.12 1fhb h LYS 87 N 0.59 0.11 0.00 1.90 2.10 -1.98 -3.45 116.57 115.84 1fhb h LYS 87 Ca 0.39 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1fhb h LYS 87 Cb 0.47 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1fhb h LYS 87 CO -0.31 0.07 0.00 -1.91 -2.00 0.00 0.00 179.45 175.30 1fhb n GLU 88 N -4.86 0.00 0.03 0.07 2.13 -1.24 -4.65 120.64 112.13 1fhb n GLU 88 Ca 0.36 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.06 1fhb n GLU 88 Cb 1.33 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.96 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 -0.01 -0.12 5.31 6.56 -1.92 0.16 116.57 126.55 1fhb h LYS 89 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1fhb h LYS 89 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1fhb h LYS 89 CO 0.00 0.13 0.01 -0.44 -2.06 0.00 0.00 179.45 177.08 1fhb h ASP 90 N -0.15 0.20 -0.87 0.86 5.19 -1.96 -2.92 116.42 116.77 1fhb h ASP 90 Ca -0.00 -0.29 0.22 0.00 -0.62 0.00 0.00 57.03 56.35 1fhb h ASP 90 Cb 0.14 -0.05 -0.15 0.00 0.18 0.00 0.00 39.33 39.45 1fhb h ASP 90 CO 0.00 0.43 0.08 -0.09 -3.12 0.00 0.00 179.24 176.54 1fhb h ARG 91 N -0.05 0.10 -0.96 3.56 2.43 -1.82 0.22 114.38 117.86 1fhb h ARG 91 Ca 0.03 -0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.45 1fhb h ARG 91 Cb 0.33 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1fhb h ARG 91 CO 0.00 0.07 0.66 -0.97 -1.51 0.00 0.00 179.97 178.22 1fhb h ASN 92 N 0.10 0.26 0.00 -3.80 -0.00 -0.49 0.83 115.58 112.49 1fhb h ASN 92 Ca 0.52 0.04 -0.21 0.00 -0.00 0.00 0.00 56.30 56.64 1fhb h ASN 92 Cb 1.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 39.29 1fhb h ASN 92 CO -0.75 0.08 -1.24 -0.67 -0.00 0.00 0.00 177.43 174.86 1fhb n ASP 93 N -4.44 1.86 -0.20 1.15 -0.08 0.55 -0.67 116.55 114.72 1fhb n ASP 93 Ca 0.21 0.45 -0.01 0.00 -1.51 0.00 0.00 54.79 53.93 1fhb n ASP 93 Cb 0.87 -0.94 0.06 0.00 2.34 0.00 0.00 41.12 43.46 1fhb n ASP 93 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1fhb h LEU 94 N -1.00 -0.54 -0.26 -2.67 5.85 -0.61 -0.22 115.31 115.86 1fhb h LEU 94 Ca -0.32 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1fhb h LEU 94 Cb 1.20 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 1fhb h LEU 94 CO -0.19 -0.19 0.09 0.40 -0.34 0.00 0.00 178.44 178.20 1fhb h ILE 95 N 0.01 0.93 -0.22 4.05 2.04 -1.04 0.15 117.51 123.43 1fhb h ILE 95 Ca 0.29 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 66.13 1fhb h ILE 95 Cb 0.45 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1fhb h ILE 95 CO -0.61 0.04 -0.11 0.74 0.00 0.00 0.00 178.15 178.20 1fhb h THR 96 N 0.21 0.64 -0.17 -0.27 2.02 -1.42 0.10 112.91 114.03 1fhb h THR 96 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.34 1fhb h THR 96 Cb 0.08 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1fhb h THR 96 CO -0.12 0.00 -0.11 0.22 0.37 0.00 0.00 175.52 175.88 1fhb h TYR 97 N -0.09 -0.27 0.25 3.16 3.20 -0.38 0.29 116.97 123.13 1fhb h TYR 97 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1fhb h TYR 97 Cb 0.27 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1fhb h TYR 97 CO -0.28 -0.17 -0.47 1.25 -1.64 0.00 0.00 178.16 176.85 1fhb h LEU 98 N -0.11 -1.37 -0.51 2.82 5.85 -0.30 0.62 115.31 122.31 1fhb h LEU 98 Ca 0.10 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.06 1fhb h LEU 98 Cb 0.26 0.49 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 1fhb h LEU 98 CO -0.24 -0.56 -0.19 0.50 -0.34 0.00 0.00 178.44 177.61 1fhb h LYS 99 N -0.79 -0.07 -0.15 1.25 3.64 -0.46 0.21 116.57 120.19 1fhb h LYS 99 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1fhb h LYS 99 Cb 0.76 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1fhb h LYS 99 CO -0.19 -0.05 0.04 -0.22 -2.27 0.00 0.00 179.45 176.75 1fhb h LYS 100 N -0.08 0.25 -0.42 1.90 3.64 -0.64 0.72 116.57 121.94 1fhb h LYS 100 Ca 0.24 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1fhb h LYS 100 Cb 0.45 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1fhb h LYS 100 CO -0.57 0.40 0.28 0.00 -2.27 0.00 0.00 179.45 177.29 1fhb h ALA 101 N 0.84 1.87 -0.66 5.00 0.00 0.14 -2.95 119.26 123.49 1fhb h ALA 101 Ca 0.05 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.46 1fhb h ALA 101 Cb 0.26 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.54 1fhb h ALA 101 CO 0.00 0.07 -0.84 -1.13 0.00 0.00 0.00 179.25 177.35 1fhb n SER 102 N -4.48 4.29 0.00 0.00 3.41 0.64 -4.90 113.62 112.58 1fhb n SER 102 Ca 0.05 -3.53 0.11 0.00 -0.26 0.00 0.00 58.87 55.24 1fhb n SER 102 Cb 0.18 -0.37 0.67 0.00 -0.26 0.00 0.00 64.21 64.43 1fhb n SER 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09