#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 0.65 -1.74 -2.82 1.02 -1.26 -4.96 120.64 111.53 1fhb n GLU -4 Ca 0.00 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 57.01 1fhb n GLU -4 Cb 0.00 -2.47 -0.00 0.00 -0.02 0.00 0.00 31.44 28.95 1fhb n GLU -4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fhb n PHE -3 N -2.58 2.70 -4.21 -0.32 7.35 -1.26 -5.02 117.46 114.12 1fhb n PHE -3 Ca 0.15 0.47 -0.34 0.00 -0.76 0.00 0.00 57.45 56.97 1fhb n PHE -3 Cb 0.49 -2.49 -0.14 0.00 0.35 0.00 0.00 39.48 37.69 1fhb n PHE -3 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1fhb s LYS -2 N -1.86 3.38 0.44 -4.13 1.02 -1.26 -5.11 119.74 112.22 1fhb s LYS -2 Ca 0.55 -0.65 -0.25 0.00 0.02 0.00 0.00 55.97 55.65 1fhb s LYS -2 Cb -0.52 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 1fhb s LYS -2 CO 0.62 -0.04 1.28 0.00 -0.92 0.00 0.00 175.35 176.29 1fhb s ALA -1 N 1.05 3.13 0.01 5.17 0.00 -1.26 -4.96 121.76 124.89 1fhb s ALA -1 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1fhb s ALA -1 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1fhb s ALA -1 CO -0.01 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1fhb n GLY 1 N 0.63 1.39 3.98 0.00 0.00 -1.25 -5.00 105.19 104.94 1fhb n GLY 1 Ca 0.05 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 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 5.86 -0.11 1.61 0.15 -1.26 -4.93 113.70 114.02 1fhb s SER 2 Ca 0.00 -0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 1fhb s SER 2 Cb 0.00 -1.23 -0.27 0.00 -1.71 0.00 0.00 66.02 62.81 1fhb s SER 2 CO 0.00 -0.58 0.72 0.00 1.20 0.00 0.00 173.24 174.58 1fhb h ALA 3 N 0.69 0.03 -2.23 5.45 0.00 -1.91 -3.34 119.26 117.94 1fhb h ALA 3 Ca -0.45 -0.75 -0.46 0.00 0.00 0.00 0.00 54.91 53.24 1fhb h ALA 3 Cb 1.26 0.20 0.19 0.00 0.00 0.00 0.00 17.79 19.44 1fhb h ALA 3 CO 0.53 0.36 0.11 -1.59 0.00 0.00 0.00 179.25 178.67 1fhb s LYS 4 N -2.36 -0.04 0.00 0.00 -2.85 -1.26 -3.37 119.74 109.86 1fhb s LYS 4 Ca -0.18 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1fhb s LYS 4 Cb 0.01 -1.65 0.00 0.00 -2.06 0.00 0.00 37.83 34.13 1fhb s LYS 4 CO 0.75 -3.15 0.00 1.17 0.10 0.00 0.00 175.35 174.21 1fhb n LYS 5 N -4.52 0.00 -0.32 1.78 4.81 -1.26 -4.47 118.16 114.17 1fhb n LYS 5 Ca 0.05 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1fhb n LYS 5 Cb 0.54 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.88 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 1.60 0.64 3.14 0.00 -1.75 0.16 103.07 106.86 1fhb h GLY 6 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1fhb h GLY 6 CO 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 176.54 176.32 1fhb h ALA 7 N 1.63 -0.11 -0.72 3.60 0.00 -1.77 0.96 119.26 122.83 1fhb h ALA 7 Ca 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1fhb h ALA 7 Cb 0.84 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1fhb h ALA 7 CO -0.40 -0.61 0.35 1.15 0.00 0.00 0.00 179.25 179.74 1fhb h THR 8 N -0.19 1.23 -0.07 0.00 2.02 -1.27 0.61 112.91 115.23 1fhb h THR 8 Ca 0.06 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1fhb h THR 8 Cb 0.27 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1fhb h THR 8 CO -0.15 0.27 0.03 -0.07 0.37 0.00 0.00 175.52 175.97 1fhb h LEU 9 N 1.01 0.10 -0.34 2.58 -0.00 -0.56 0.13 115.31 118.23 1fhb h LEU 9 Ca 0.25 -0.15 0.07 0.00 -0.00 0.00 0.00 57.88 58.05 1fhb h LEU 9 Cb 0.11 -0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 40.66 1fhb h LEU 9 CO -0.03 0.22 -0.27 0.15 -0.00 0.00 0.00 178.44 178.51 1fhb h PHE 10 N -0.04 -0.72 -0.49 1.13 3.57 -0.49 -0.98 116.94 118.92 1fhb h PHE 10 Ca 0.02 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1fhb h PHE 10 Cb 0.16 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1fhb h PHE 10 CO -0.02 -0.34 0.33 0.87 -2.23 0.00 0.00 178.31 176.92 1fhb h LYS 11 N -0.23 0.52 -0.65 1.11 1.57 -0.36 0.25 116.57 118.78 1fhb h LYS 11 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1fhb h LYS 11 Cb 0.49 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1fhb h LYS 11 CO -0.47 0.35 0.00 0.25 -0.57 0.00 0.00 179.45 179.01 1fhb n THR 12 N -4.47 1.75 0.13 -0.16 -2.24 0.42 -4.48 114.28 105.23 1fhb n THR 12 Ca 0.06 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1fhb n THR 12 Cb 0.16 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.17 0.00 -0.00 -0.78 3.00 -0.45 -5.01 116.66 114.59 1fhb n ARG 13 Ca 0.26 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.91 1fhb n ARG 13 Cb 0.86 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 33.18 1fhb n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1fhb h LEU 15 N -0.58 0.39 -0.93 0.00 5.85 -1.30 0.16 115.31 118.90 1fhb h LEU 15 Ca -0.15 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1fhb h LEU 15 Cb 1.47 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.41 1fhb h LEU 15 CO 0.06 -0.04 -0.35 1.67 -0.34 0.00 0.00 178.44 179.45 1fhb n GLN 16 N -4.71 -0.20 -0.07 1.25 7.27 -1.24 -3.42 117.38 116.26 1fhb n GLN 16 Ca 0.30 1.44 -0.08 0.00 0.07 0.00 0.00 57.00 58.73 1fhb n GLN 16 Cb 1.08 -2.13 -0.10 0.00 2.41 0.00 0.00 30.24 31.50 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 -2.32 1.78 0.06 0.00 3.76 0.12 -0.85 115.29 117.85 1fhb s HIS 18 Ca -0.11 -0.79 0.05 0.00 -0.15 0.00 0.00 55.06 54.07 1fhb s HIS 18 Cb 0.04 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1fhb s HIS 18 CO 0.49 -0.43 -0.15 0.95 -0.85 0.00 0.00 174.74 174.76 1fhb s THR 19 N -2.73 1.18 -0.22 1.30 -4.23 -1.26 -4.33 115.64 105.35 1fhb s THR 19 Ca 0.37 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1fhb s THR 19 Cb -0.02 -1.10 -0.16 0.00 1.34 0.00 0.00 72.50 72.56 1fhb s THR 19 CO 0.22 -0.12 -0.16 0.55 -0.54 0.00 0.00 174.62 174.57 1fhb n VAL 20 N 1.49 1.29 -1.08 2.29 3.14 -1.26 -1.40 118.33 122.80 1fhb n VAL 20 Ca -0.20 -0.54 -0.33 0.00 -2.96 0.00 0.00 64.34 60.31 1fhb n VAL 20 Cb 0.54 -1.18 0.13 0.00 -1.06 0.00 0.00 33.84 32.27 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 -2.45 1.58 -1.29 1.45 1.03 -1.26 -4.47 118.70 113.28 1fhb s GLU 21 Ca -0.27 1.72 -0.18 0.00 0.03 0.00 0.00 54.97 56.27 1fhb s GLU 21 Cb 0.07 -1.77 0.04 0.00 -0.80 0.00 0.00 34.13 31.68 1fhb s GLU 21 CO 0.56 -2.25 1.82 1.63 -1.33 0.00 0.00 175.26 175.68 1fhb n LYS 22 N -3.40 2.95 0.00 -4.83 5.02 -1.26 -3.80 118.16 112.83 1fhb n LYS 22 Ca 0.13 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 1fhb n LYS 22 Cb 0.51 -3.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 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 5.29 0.60 3.83 0.72 0.00 -1.26 -5.15 105.19 109.22 1fhb n GLY 23 Ca 0.49 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.66 2.26 0.49 -0.02 0.00 -1.25 -5.13 107.32 103.02 1fhb s GLY 24 Ca 0.00 -1.85 -0.20 0.00 0.00 0.00 0.00 44.72 42.66 1fhb s GLY 24 CO 0.00 -1.83 1.05 2.56 0.00 0.00 0.00 173.10 174.89 1fhb s PRO 25 N -4.07 3.75 -1.11 2.90 0.04 -1.26 -4.69 135.00 130.56 1fhb s PRO 25 Ca 0.43 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 1fhb s PRO 25 Cb -0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1fhb s PRO 25 CO 0.25 -0.48 1.73 -1.01 0.04 0.00 0.00 177.00 177.53 1fhb s HIS 26 N -1.95 2.33 0.00 0.56 3.76 -1.26 -4.47 115.29 114.26 1fhb s HIS 26 Ca 0.68 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1fhb s HIS 26 Cb -0.17 -4.44 0.00 0.00 1.11 0.00 0.00 32.58 29.08 1fhb s HIS 26 CO 0.21 -1.71 0.00 1.63 -0.85 0.00 0.00 174.74 174.01 1fhb n LYS 27 N 8.62 0.00 -0.10 1.40 5.02 -1.26 -4.78 118.16 127.06 1fhb n LYS 27 Ca 0.41 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.50 1fhb n LYS 27 Cb 0.48 -0.12 -0.11 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.88 -2.17 -0.18 2.07 -1.59 -3.48 116.25 111.77 1fhb h VAL 28 Ca 0.00 -2.09 -0.47 0.00 0.82 0.00 0.00 66.70 64.95 1fhb h VAL 28 Cb 0.00 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1fhb h VAL 28 CO 0.00 0.30 -0.46 -0.83 0.02 0.00 0.00 177.57 176.60 1fhb s GLY 29 N -4.78 1.29 0.60 2.17 0.00 -0.03 -5.01 107.32 101.57 1fhb s GLY 29 Ca -0.27 -1.30 -0.15 0.00 0.00 0.00 0.00 44.72 43.00 1fhb s GLY 29 CO 0.57 -1.32 1.05 2.56 0.00 0.00 0.00 173.10 175.95 1fhb s PRO 30 N -3.94 3.30 0.23 2.90 0.04 -1.26 -4.49 135.00 131.77 1fhb s PRO 30 Ca 0.34 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 1fhb s PRO 30 Cb -0.09 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1fhb s PRO 30 CO 0.28 -0.82 1.62 1.21 0.04 0.00 0.00 177.00 179.33 1fhb s ASN 31 N -2.96 6.45 -0.38 6.66 2.47 -1.26 -4.52 114.94 121.40 1fhb s ASN 31 Ca 0.62 2.81 -0.01 0.00 0.42 0.00 0.00 52.86 56.70 1fhb s ASN 31 Cb -0.15 -2.61 0.23 0.00 -1.45 0.00 0.00 41.25 37.27 1fhb s ASN 31 CO 0.39 -0.90 2.09 0.18 -3.72 0.00 0.00 177.10 175.15 1fhb n LEU 32 N 3.32 6.64 -4.73 3.21 4.77 -0.49 -4.90 117.00 124.82 1fhb n LEU 32 Ca 0.12 -3.51 -0.41 0.00 -0.03 0.00 0.00 56.01 52.19 1fhb n LEU 32 Cb 0.37 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1fhb n LEU 32 CO 0.63 1.31 0.54 -2.28 -1.33 0.00 0.00 177.39 176.26 1fhb s HIS 33 N -2.08 3.69 -2.14 -1.77 2.46 -1.26 -3.63 115.29 110.55 1fhb s HIS 33 Ca 0.38 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.44 1fhb s HIS 33 Cb 0.29 -2.94 0.00 0.00 -0.13 0.00 0.00 32.58 29.80 1fhb s HIS 33 CO -0.03 0.14 0.00 0.41 -2.47 0.00 0.00 174.74 172.79 1fhb n GLY 34 N 2.69 1.82 0.26 1.59 0.00 -1.26 -4.87 105.19 105.42 1fhb n GLY 34 Ca 0.01 -0.03 -0.09 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 1.25 -0.09 -0.61 6.09 -1.86 -1.19 117.51 121.09 1fhb h ILE 35 Ca -0.42 -0.90 -0.63 0.00 -1.37 0.00 0.00 64.86 61.53 1fhb h ILE 35 Cb 1.33 0.81 0.01 0.00 0.47 0.00 0.00 36.82 39.44 1fhb h ILE 35 CO 0.61 0.33 2.37 0.49 -3.07 0.00 0.00 178.15 178.88 1fhb n PHE 36 N -4.40 2.51 0.00 2.19 3.01 -1.26 -3.09 117.46 116.41 1fhb n PHE 36 Ca 0.02 -2.11 0.00 0.00 1.01 0.00 0.00 57.45 56.37 1fhb n PHE 36 Cb 0.24 -2.06 0.00 0.00 -0.01 0.00 0.00 39.48 37.65 1fhb n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fhb n GLY 37 N 4.60 1.27 3.73 1.37 0.00 -1.22 -5.03 105.19 109.91 1fhb n GLY 37 Ca 0.50 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1fhb n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fhb s ARG 38 N 0.00 4.31 0.99 1.61 1.70 -0.45 -4.90 118.95 122.21 1fhb s ARG 38 Ca 0.00 2.17 -0.11 0.00 -0.47 0.00 0.00 55.73 57.32 1fhb s ARG 38 Cb 0.00 -3.18 0.18 0.00 -0.57 0.00 0.00 34.95 31.39 1fhb s ARG 38 CO 0.00 -0.39 1.10 1.14 -1.08 0.00 0.00 175.30 176.07 1fhb s GLN 39 N 0.29 0.47 0.59 3.89 -2.07 -1.25 -4.42 119.66 117.14 1fhb s GLN 39 Ca 0.61 1.26 -0.18 0.00 -1.82 0.00 0.00 55.36 55.23 1fhb s GLN 39 Cb -0.39 -1.68 -0.04 0.00 -1.09 0.00 0.00 33.01 29.81 1fhb s GLN 39 CO 0.37 -2.91 1.15 -1.54 -1.32 0.00 0.00 175.29 171.03 1fhb s SER 40 N -2.71 5.41 -0.89 12.60 1.04 0.19 -3.99 113.70 125.36 1fhb s SER 40 Ca 0.67 2.20 -0.01 0.00 0.48 0.00 0.00 55.95 59.28 1fhb s SER 40 Cb -0.23 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 1fhb s SER 40 CO 0.60 -1.43 0.75 0.61 0.98 0.00 0.00 173.24 174.74 1fhb n GLY 41 N 0.11 -0.31 0.00 7.32 0.00 -1.26 -4.62 105.19 106.43 1fhb n GLY 41 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.24 2.35 -1.66 1.61 -0.00 -1.26 -4.79 117.38 110.40 1fhb n GLN 42 Ca -0.18 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.44 1fhb n GLN 42 Cb 0.62 -0.92 -0.05 0.00 -0.00 0.00 0.00 30.24 29.89 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 -1.55 3.00 -0.51 2.61 0.00 -1.26 -4.96 120.51 117.84 1fhb n ALA 43 Ca 0.00 -3.31 -0.29 0.00 0.00 0.00 0.00 53.44 49.84 1fhb n ALA 43 Cb 0.24 -3.57 0.22 0.00 0.00 0.00 0.00 19.45 16.35 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 7.50 -2.58 0.00 0.00 1.02 -1.26 -3.83 120.64 121.50 1fhb n GLU 44 Ca 0.48 -0.74 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1fhb n GLU 44 Cb 0.43 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.75 1.50 3.66 0.62 0.00 -1.26 -4.93 105.19 106.53 1fhb n GLY 45 Ca 0.04 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1fhb n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fhb n TYR 46 N 0.00 1.17 -1.28 1.61 9.36 -1.25 -4.85 117.16 121.92 1fhb n TYR 46 Ca 0.00 0.41 -0.43 0.00 3.32 0.00 0.00 57.90 61.20 1fhb n TYR 46 Cb 0.00 -2.15 -0.04 0.00 -0.63 0.00 0.00 39.34 36.51 1fhb n TYR 46 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1fhb n SER 47 N -1.78 2.82 -2.21 2.98 3.41 -1.26 -4.91 113.62 112.66 1fhb n SER 47 Ca 0.14 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1fhb n SER 47 Cb 0.49 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 7.19 -3.27 -4.08 7.33 4.01 -1.26 -4.97 117.16 122.11 1fhb n TYR 48 Ca 0.50 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 58.11 1fhb n TYR 48 Cb 0.40 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.84 0.47 0.25 -0.72 -4.23 -1.26 -5.03 115.64 104.28 1fhb s THR 49 Ca 0.00 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1fhb s THR 49 Cb 0.00 -0.51 0.34 0.00 1.34 0.00 0.00 72.50 73.67 1fhb s THR 49 CO 0.00 -0.25 1.57 -0.78 -0.54 0.00 0.00 174.62 174.62 1fhb h ASP 50 N 4.93 -1.03 0.15 3.99 3.58 -1.99 -1.78 116.42 124.27 1fhb h ASP 50 Ca -0.33 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1fhb h ASP 50 Cb 1.20 0.62 -0.02 0.00 1.72 0.00 0.00 39.33 42.85 1fhb h ASP 50 CO 0.43 -0.30 -0.16 0.00 -2.88 0.00 0.00 179.24 176.33 1fhb h ALA 51 N 1.70 -0.31 -0.35 -0.78 0.00 -1.87 0.97 119.26 118.61 1fhb h ALA 51 Ca 0.40 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1fhb h ALA 51 Cb 0.64 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1fhb h ALA 51 CO -0.93 -0.70 0.06 -0.97 0.00 0.00 0.00 179.25 176.71 1fhb h ASN 52 N -0.35 -0.01 0.45 0.00 -0.73 -1.62 0.12 115.58 113.44 1fhb h ASN 52 Ca 0.01 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 1fhb h ASN 52 Cb 0.33 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 1fhb h ASN 52 CO -0.05 0.03 -0.46 0.40 -0.37 0.00 0.00 177.43 176.98 1fhb h ILE 53 N 0.17 0.09 -0.96 2.57 2.04 -1.06 -2.45 117.51 117.91 1fhb h ILE 53 Ca 0.17 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.13 1fhb h ILE 53 Cb 0.20 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 36.29 1fhb h ILE 53 CO -0.23 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.63 1fhb h LYS 54 N -0.92 0.97 -0.97 2.37 1.57 -0.52 0.32 116.57 119.40 1fhb h LYS 54 Ca -0.05 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1fhb h LYS 54 Cb 0.81 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1fhb h LYS 54 CO -0.07 0.64 0.08 1.17 -0.57 0.00 0.00 179.45 180.70 1fhb n LYS 55 N -4.61 1.47 0.00 3.15 3.00 0.40 -4.93 118.16 116.63 1fhb n LYS 55 Ca 0.17 -0.61 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 1fhb n LYS 55 Cb 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.91 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 0.15 0.00 -4.32 3.14 0.23 0.10 -4.92 115.26 109.64 1fhb n ASN 56 Ca 0.09 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.82 1fhb n ASN 56 Cb 0.61 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.16 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1fhb s VAL 57 N 0.00 2.67 0.50 3.53 1.01 -1.26 -4.89 120.40 121.97 1fhb s VAL 57 Ca 0.00 -0.80 0.29 0.00 0.00 0.00 0.00 61.98 61.46 1fhb s VAL 57 Cb 0.00 -2.08 0.33 0.00 0.00 0.00 0.00 36.38 34.62 1fhb s VAL 57 CO 0.00 0.54 2.17 0.25 0.00 0.00 0.00 175.10 178.06 1fhb h LEU 58 N 6.62 0.00 -2.51 3.92 6.46 -1.91 0.55 115.31 128.45 1fhb h LEU 58 Ca -0.24 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1fhb h LEU 58 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1fhb h LEU 58 CO 0.52 0.06 -0.41 0.79 -0.62 0.00 0.00 178.44 178.79 1fhb n TRP 59 N -3.73 -2.37 -3.84 1.25 5.03 -1.26 -3.96 117.44 108.56 1fhb n TRP 59 Ca -0.02 0.98 -0.25 0.00 3.03 0.00 0.00 57.50 61.24 1fhb n TRP 59 Cb 0.16 -3.19 -0.02 0.00 -1.03 0.00 0.00 31.31 27.23 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 -1.81 4.70 0.23 -0.99 -4.77 -1.26 -3.49 116.67 109.28 1fhb s ASP 60 Ca 0.12 -1.10 -0.06 0.00 -3.30 0.00 0.00 52.55 48.22 1fhb s ASP 60 Cb -0.03 0.05 0.40 0.00 -1.09 0.00 0.00 42.92 42.24 1fhb s ASP 60 CO 0.51 -0.92 1.75 -0.33 0.70 0.00 0.00 175.17 176.88 1fhb h GLU 61 N 0.91 0.48 0.84 2.11 3.07 -1.97 0.87 114.58 120.89 1fhb h GLU 61 Ca -0.39 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.40 1fhb h GLU 61 Cb 1.29 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1fhb h GLU 61 CO 0.59 0.32 -0.40 -0.97 -1.40 0.00 0.00 179.01 177.14 1fhb h ASN 62 N 0.49 -0.96 -0.29 1.42 -1.24 -1.99 0.20 115.58 113.22 1fhb h ASN 62 Ca 0.38 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.48 1fhb h ASN 62 Cb 0.52 0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.77 1fhb h ASN 62 CO -0.35 -0.61 -0.02 0.78 -1.29 0.00 0.00 177.43 175.94 1fhb h ASN 63 N -1.28 -0.17 -0.42 1.15 2.35 -1.95 -1.75 115.58 113.51 1fhb h ASN 63 Ca -0.12 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1fhb h ASN 63 Cb 0.87 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 1fhb h ASN 63 CO 0.19 -0.05 0.02 -0.03 -1.65 0.00 0.00 177.43 175.91 1fhb h MET 64 N 0.06 0.80 0.02 0.81 4.05 -0.82 -0.43 114.93 119.42 1fhb h MET 64 Ca 0.14 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1fhb h MET 64 Cb 0.20 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1fhb h MET 64 CO -0.26 0.80 -0.12 1.03 0.23 0.00 0.00 176.91 178.58 1fhb h SER 65 N 0.76 -0.35 -0.00 1.39 0.87 0.05 0.14 113.55 116.41 1fhb h SER 65 Ca 0.15 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1fhb h SER 65 Cb 0.43 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1fhb h SER 65 CO 0.02 -0.18 -0.11 -0.08 -0.53 0.00 0.00 176.83 175.95 1fhb h GLU 66 N -0.22 -0.18 -0.19 2.24 4.57 -0.93 0.12 114.58 119.99 1fhb h GLU 66 Ca 0.04 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1fhb h GLU 66 Cb 0.26 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 1fhb h GLU 66 CO -0.11 -0.12 -0.42 -0.92 -1.18 0.00 0.00 179.01 176.26 1fhb h TYR 67 N -0.18 -1.22 -0.97 0.92 3.20 -0.87 0.14 116.97 117.99 1fhb h TYR 67 Ca 0.04 0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1fhb h TYR 67 Cb 0.24 0.56 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 1fhb h TYR 67 CO -0.17 -0.47 0.61 -0.07 -1.64 0.00 0.00 178.16 176.42 1fhb h LEU 68 N -0.46 0.82 -0.81 2.82 4.07 -0.41 0.16 115.31 121.50 1fhb h LEU 68 Ca 0.09 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 1fhb h LEU 68 Cb 0.62 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1fhb h LEU 68 CO -0.43 0.41 -0.02 0.74 -1.08 0.00 0.00 178.44 178.06 1fhb h THR 69 N 0.86 1.25 -1.26 0.22 2.02 0.95 0.17 112.91 117.14 1fhb h THR 69 Ca 0.49 -1.08 -0.23 0.00 0.77 0.00 0.00 66.41 66.36 1fhb h THR 69 Cb 0.62 0.87 -0.20 0.00 -1.74 0.00 0.00 68.15 67.70 1fhb h THR 69 CO -0.26 0.38 -0.58 0.54 0.37 0.00 0.00 175.52 175.97 1fhb s ASN 70 N -6.63 -0.90 0.00 4.18 2.20 0.32 -3.96 114.94 110.14 1fhb s ASN 70 Ca -0.10 -1.95 0.00 0.00 -0.94 0.00 0.00 52.86 49.87 1fhb s ASN 70 Cb 0.14 1.46 0.00 0.00 -2.00 0.00 0.00 41.25 40.86 1fhb s ASN 70 CO 0.83 -0.08 0.31 -0.81 -2.94 0.00 0.00 177.10 174.41 1fhb n PRO 71 N 2.98 0.38 0.00 3.55 -0.04 0.44 -1.23 135.00 141.07 1fhb n PRO 71 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1fhb n PRO 71 Cb 0.54 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.63 0.00 -0.24 0.54 4.81 -1.26 -0.49 118.16 122.15 1fhb n LYS 73 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1fhb n LYS 73 Cb 0.15 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.25 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 -3.62 5.64 3.20 -1.52 -3.36 116.97 118.28 1fhb h TYR 74 Ca 0.00 -0.05 -0.69 0.00 3.14 0.00 0.00 58.73 61.13 1fhb h TYR 74 Cb 0.00 -0.30 -0.27 0.00 1.54 0.00 0.00 36.73 37.70 1fhb h TYR 74 CO 0.00 0.73 -0.61 0.42 -1.64 0.00 0.00 178.16 177.06 1fhb s ILE 75 N -5.67 3.92 -1.40 1.81 -1.09 0.35 -5.02 121.20 114.10 1fhb s ILE 75 Ca -0.13 -0.86 -0.12 0.00 -2.23 0.00 0.00 60.65 57.31 1fhb s ILE 75 Cb 0.14 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1fhb s ILE 75 CO 0.80 -0.02 2.48 -0.81 -1.23 0.00 0.00 174.94 176.16 1fhb n PRO 76 N 4.85 2.97 0.00 2.79 -0.04 -1.26 -3.18 135.00 141.14 1fhb n PRO 76 Ca -0.14 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1fhb n PRO 76 Cb 0.47 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 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 3.89 0.14 3.80 0.55 0.00 -1.26 -4.81 105.19 107.50 1fhb n GLY 77 Ca 0.62 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 1fhb n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fhb s THR 78 N 0.00 5.05 0.24 2.61 -1.32 -1.19 -4.25 115.64 116.77 1fhb s THR 78 Ca 0.00 0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 61.34 1fhb s THR 78 Cb 0.00 -3.76 0.21 0.00 -1.51 0.00 0.00 72.50 67.43 1fhb s THR 78 CO 0.00 0.50 1.75 0.50 -2.21 0.00 0.00 174.62 175.16 1fhb h LYS 79 N 5.32 0.51 -5.73 7.08 3.11 -1.95 -3.44 116.57 121.47 1fhb h LYS 79 Ca -0.48 -0.03 -0.77 0.00 -2.81 0.00 0.00 60.65 56.56 1fhb h LYS 79 Cb 1.21 -0.11 0.04 0.00 -1.00 0.00 0.00 32.23 32.36 1fhb h LYS 79 CO 0.66 0.34 0.17 0.00 -2.81 0.00 0.00 179.45 177.81 1fhb n ALA 80 N -2.46 -3.09 -3.46 5.00 0.00 -1.26 -4.98 120.51 110.25 1fhb n ALA 80 Ca 0.14 0.55 -0.29 0.00 0.00 0.00 0.00 53.44 53.84 1fhb n ALA 80 Cb 0.37 -1.71 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 1fhb n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fhb s ALA 81 N 0.54 0.90 0.13 0.00 0.00 -1.26 -5.00 121.76 117.07 1fhb s ALA 81 Ca 0.89 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1fhb s ALA 81 Cb -1.25 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1fhb s ALA 81 CO 0.59 -2.09 0.05 -0.59 0.00 0.00 0.00 175.76 173.72 1fhb s PHE 82 N 1.12 0.86 -0.74 0.00 -0.71 -1.26 -5.10 117.98 112.15 1fhb s PHE 82 Ca 0.18 -1.23 -0.26 0.00 -1.04 0.00 0.00 56.93 54.58 1fhb s PHE 82 Cb -0.23 -0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 41.09 1fhb s PHE 82 CO -0.00 -0.51 1.73 0.20 -1.34 0.00 0.00 175.22 175.30 1fhb s GLY 83 N -3.05 0.42 0.02 1.99 0.00 -1.26 -4.94 107.32 100.50 1fhb s GLY 83 Ca 0.24 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 43.59 1fhb s GLY 83 CO 0.02 3.22 0.61 0.61 0.00 0.00 0.00 173.10 177.56 1fhb n GLY 84 N 6.01 -0.31 3.58 0.20 0.00 -1.26 -4.73 105.19 108.67 1fhb n GLY 84 Ca 0.23 0.43 -0.25 0.00 0.00 0.00 0.00 46.02 46.42 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 0.29 2.93 0.16 0.99 1.43 0.61 -4.77 118.68 120.33 1fhb s LEU 85 Ca 0.54 -1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 1fhb s LEU 85 Cb -0.75 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 42.96 1fhb s LEU 85 CO 0.35 -3.37 1.65 0.11 0.23 0.00 0.00 176.35 175.32 1fhb h LYS 86 N 10.30 -0.09 -5.55 1.70 1.79 -1.85 -3.38 116.57 119.49 1fhb h LYS 86 Ca 0.16 0.01 -0.32 0.00 -2.18 0.00 0.00 60.65 58.32 1fhb h LYS 86 Cb 0.96 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 1fhb h LYS 86 CO 1.18 -0.06 0.96 0.15 -1.08 0.00 0.00 179.45 180.59 1fhb s LYS 87 N -6.17 2.52 0.19 3.15 1.02 -1.26 -4.77 119.74 114.42 1fhb s LYS 87 Ca -0.14 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 54.94 1fhb s LYS 87 Cb 0.14 -5.18 0.34 0.00 -0.52 0.00 0.00 37.83 32.60 1fhb s LYS 87 CO 0.70 -3.77 1.03 -1.91 -0.92 0.00 0.00 175.35 170.48 1fhb n GLU 88 N 8.48 -0.06 -0.36 1.68 0.00 -1.26 -0.86 120.64 128.26 1fhb n GLU 88 Ca 0.43 1.03 0.07 0.00 0.00 0.00 0.00 57.16 58.68 1fhb n GLU 88 Cb 0.47 -1.55 0.23 0.00 0.00 0.00 0.00 31.44 30.59 1fhb n GLU 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1fhb h LYS 89 N 0.00 0.97 0.07 5.31 6.56 -1.96 0.89 116.57 128.42 1fhb h LYS 89 Ca 0.33 -0.06 -0.21 0.00 -1.06 0.00 0.00 60.65 59.65 1fhb h LYS 89 Cb 0.54 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 1fhb h LYS 89 CO -0.67 0.64 -1.08 -0.44 -2.06 0.00 0.00 179.45 175.84 1fhb h ASP 90 N 1.00 0.24 -0.72 0.86 3.32 -1.59 -3.37 116.42 116.16 1fhb h ASP 90 Ca 0.49 -0.82 0.14 0.00 0.02 0.00 0.00 57.03 56.87 1fhb h ASP 90 Cb 0.47 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.80 1fhb h ASP 90 CO -0.26 1.46 -0.24 -0.09 -1.72 0.00 0.00 179.24 178.40 1fhb h ARG 91 N -0.58 -0.04 -0.42 3.56 2.43 -0.42 -0.12 114.38 118.79 1fhb h ARG 91 Ca -0.25 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1fhb h ARG 91 Cb 1.52 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.02 1fhb h ARG 91 CO -0.00 -0.03 0.08 -2.95 -1.51 0.00 0.00 179.97 175.56 1fhb h ASN 92 N -0.04 -0.01 0.47 -3.80 7.08 -1.01 0.19 115.58 118.45 1fhb h ASN 92 Ca 0.33 0.08 -0.02 0.00 -3.08 0.00 0.00 56.30 53.60 1fhb h ASN 92 Cb 0.55 0.11 -0.00 0.00 -2.08 0.00 0.00 38.32 36.90 1fhb h ASN 92 CO -0.76 0.03 -0.26 0.44 -2.08 0.00 0.00 177.43 174.79 1fhb h ASP 93 N 0.20 -0.65 -0.32 6.14 3.32 -1.49 -1.18 116.42 122.45 1fhb h ASP 93 Ca 0.21 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.36 1fhb h ASP 93 Cb 0.26 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 1fhb h ASP 93 CO -0.28 -0.43 -0.34 0.25 -1.72 0.00 0.00 179.24 176.73 1fhb h LEU 94 N -0.69 -1.09 -0.31 1.55 5.85 -0.62 0.84 115.31 120.83 1fhb h LEU 94 Ca -0.06 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1fhb h LEU 94 Cb 0.55 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1fhb h LEU 94 CO 0.07 -0.34 0.03 0.40 -0.34 0.00 0.00 178.44 178.27 1fhb h ILE 95 N -0.31 0.81 -0.25 4.05 2.04 -0.55 0.90 117.51 124.20 1fhb h ILE 95 Ca 0.14 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1fhb h ILE 95 Cb 0.55 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1fhb h ILE 95 CO -0.48 0.02 -0.09 0.74 0.00 0.00 0.00 178.15 178.34 1fhb h THR 96 N 0.13 0.69 -0.09 -0.27 2.02 -0.23 0.14 112.91 115.30 1fhb h THR 96 Ca 0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.36 1fhb h THR 96 Cb 0.19 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1fhb h THR 96 CO -0.23 0.00 -0.13 0.22 0.37 0.00 0.00 175.52 175.76 1fhb h TYR 97 N -0.04 -0.32 -0.29 3.16 3.20 -0.33 -2.49 116.97 119.86 1fhb h TYR 97 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1fhb h TYR 97 Cb 0.23 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1fhb h TYR 97 CO -0.28 -0.19 0.14 1.25 -1.64 0.00 0.00 178.16 177.44 1fhb h LEU 98 N -0.17 0.20 -0.56 2.82 5.85 -0.14 0.13 115.31 123.44 1fhb h LEU 98 Ca 0.07 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1fhb h LEU 98 Cb 0.28 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 1fhb h LEU 98 CO -0.19 0.15 -0.22 0.50 -0.34 0.00 0.00 178.44 178.34 1fhb h LYS 99 N 0.29 -0.08 -0.47 1.25 3.64 -0.62 0.45 116.57 121.03 1fhb h LYS 99 Ca 0.12 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1fhb h LYS 99 Cb 0.05 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1fhb h LYS 99 CO -0.09 -0.05 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.67 1fhb h LYS 100 N -0.08 0.92 -0.80 1.90 3.64 -0.92 -2.90 116.57 118.34 1fhb h LYS 100 Ca 0.26 -0.37 0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1fhb h LYS 100 Cb 0.48 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1fhb h LYS 100 CO -0.62 1.03 0.53 0.00 -2.27 0.00 0.00 179.45 178.12 1fhb h ALA 101 N 0.87 1.95 0.00 5.00 0.00 0.62 0.90 119.26 128.59 1fhb h ALA 101 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1fhb h ALA 101 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fhb h ALA 101 CO 0.05 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 1fhb n SER 102 N -4.51 0.00 0.00 0.00 3.41 0.01 -4.81 113.62 107.72 1fhb n SER 102 Ca 0.15 -0.37 0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1fhb n SER 102 Cb 0.46 -0.21 0.73 0.00 -0.26 0.00 0.00 64.21 64.94 1fhb n SER 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09