#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 1.97 0.07 1.09 2.12 -1.26 -5.11 118.70 117.58 1fhb s GLU -4 Ca 0.00 -0.76 -0.31 0.00 0.36 0.00 0.00 54.97 54.26 1fhb s GLU -4 Cb 0.00 -1.77 -0.08 0.00 0.26 0.00 0.00 34.13 32.54 1fhb s GLU -4 CO 0.00 0.38 1.51 0.12 -0.54 0.00 0.00 175.26 176.73 1fhb s PHE -3 N -0.26 2.81 -0.28 5.30 2.19 -1.26 -5.01 117.98 121.47 1fhb s PHE -3 Ca 0.02 0.65 -0.10 0.00 0.33 0.00 0.00 56.93 57.82 1fhb s PHE -3 Cb -0.11 -3.81 -0.04 0.00 -1.31 0.00 0.00 43.02 37.76 1fhb s PHE -3 CO 0.01 -3.06 0.17 -1.59 1.83 0.00 0.00 175.22 172.58 1fhb s LYS -2 N 2.04 3.78 0.79 10.12 -2.85 -1.26 -5.09 119.74 127.28 1fhb s LYS -2 Ca 0.68 -0.42 -0.14 0.00 -1.00 0.00 0.00 55.97 55.09 1fhb s LYS -2 Cb -0.37 -3.60 0.07 0.00 -2.06 0.00 0.00 37.83 31.87 1fhb s LYS -2 CO 0.30 -0.23 1.21 0.00 0.10 0.00 0.00 175.35 176.72 1fhb s ALA -1 N 1.71 1.90 0.00 0.59 0.00 -1.26 -4.93 121.76 119.78 1fhb s ALA -1 Ca 0.07 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1fhb s ALA -1 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1fhb s ALA -1 CO 0.09 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 174.06 1fhb n GLY 1 N 0.45 2.47 0.47 0.00 0.00 -1.26 -4.98 105.19 102.34 1fhb n GLY 1 Ca 0.13 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.45 1fhb n GLY 1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fhb n SER 2 N 0.00 1.55 0.00 1.61 7.64 -1.26 -4.95 113.62 118.21 1fhb n SER 2 Ca 0.00 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1fhb n SER 2 Cb 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1fhb n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fhb n ALA 3 N 0.06 0.00 -0.98 -0.43 0.00 -1.26 -4.72 120.51 113.18 1fhb n ALA 3 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1fhb n ALA 3 Cb 0.39 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.86 0.00 0.00 5.02 -1.26 -4.12 118.16 115.94 1fhb n LYS 4 Ca 0.00 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1fhb n LYS 4 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 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 -2.62 0.00 -0.18 1.97 0.00 -1.26 -4.49 118.16 111.58 1fhb n LYS 5 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.51 1fhb n LYS 5 Cb 0.18 0.00 0.50 0.00 0.00 0.00 0.00 35.03 35.70 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 0.76 0.17 3.14 0.00 -1.73 0.64 103.07 106.05 1fhb h GLY 6 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 47.33 47.26 1fhb h GLY 6 CO 0.00 0.06 0.15 0.00 0.00 0.00 0.00 176.54 176.75 1fhb h ALA 7 N 1.64 0.77 -0.50 3.60 0.00 -1.79 0.10 119.26 123.08 1fhb h ALA 7 Ca 0.39 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 1fhb h ALA 7 Cb 0.88 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1fhb h ALA 7 CO -0.13 -0.29 -0.14 1.15 0.00 0.00 0.00 179.25 179.84 1fhb h THR 8 N 0.29 1.27 0.19 0.00 2.02 -1.25 0.45 112.91 115.87 1fhb h THR 8 Ca 0.33 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1fhb h THR 8 Cb 0.50 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1fhb h THR 8 CO -0.41 0.45 -0.09 -0.07 0.37 0.00 0.00 175.52 175.77 1fhb h LEU 9 N 0.85 -0.21 -0.41 2.58 -0.00 -1.27 -0.51 115.31 116.34 1fhb h LEU 9 Ca 0.13 -0.12 0.08 0.00 -0.00 0.00 0.00 57.88 57.97 1fhb h LEU 9 Cb 0.69 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 41.31 1fhb h LEU 9 CO 0.05 -0.00 -0.32 0.15 -0.00 0.00 0.00 178.44 178.32 1fhb h PHE 10 N -0.42 -0.88 -0.92 1.13 3.04 -0.62 0.12 116.94 118.39 1fhb h PHE 10 Ca -0.03 0.06 0.09 0.00 3.98 0.00 0.00 57.97 62.07 1fhb h PHE 10 Cb 0.32 0.45 -0.07 0.00 2.56 0.00 0.00 35.95 39.21 1fhb h PHE 10 CO -0.02 -0.38 0.59 0.87 -2.02 0.00 0.00 178.31 177.36 1fhb h LYS 11 N -0.24 0.92 -0.00 1.11 1.57 -0.70 0.26 116.57 119.49 1fhb h LYS 11 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1fhb h LYS 11 Cb 0.53 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1fhb h LYS 11 CO -0.54 0.61 -0.50 0.25 -0.57 0.00 0.00 179.45 178.71 1fhb n THR 12 N -4.53 0.00 0.04 -0.16 -2.24 -0.22 -4.41 114.28 102.76 1fhb n THR 12 Ca 0.15 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1fhb n THR 12 Cb 0.28 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.01 0.00 -0.03 -0.78 3.00 0.32 -4.91 116.66 113.24 1fhb n ARG 13 Ca 0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.74 1fhb n ARG 13 Cb 0.36 -0.26 -0.13 0.00 0.00 0.00 0.00 32.46 32.43 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 -0.70 0.40 -0.98 0.00 5.85 -1.12 0.19 115.31 118.95 1fhb h LEU 15 Ca -0.14 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.83 1fhb h LEU 15 Cb 1.35 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 42.24 1fhb h LEU 15 CO 0.03 0.05 -0.35 1.67 -0.34 0.00 0.00 178.44 179.49 1fhb n GLN 16 N -4.62 -0.20 -0.08 1.25 7.27 -1.25 -3.40 117.38 116.36 1fhb n GLN 16 Ca 0.27 1.51 -0.09 0.00 0.07 0.00 0.00 57.00 58.76 1fhb n GLN 16 Cb 0.96 -2.25 -0.11 0.00 2.41 0.00 0.00 30.24 31.25 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 -2.36 1.53 0.04 0.00 3.76 0.28 -0.78 115.29 117.76 1fhb s HIS 18 Ca -0.12 -0.84 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1fhb s HIS 18 Cb 0.05 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1fhb s HIS 18 CO 0.55 -0.62 -0.03 0.95 -0.85 0.00 0.00 174.74 174.73 1fhb s THR 19 N -2.77 0.20 0.00 1.30 -4.23 -1.26 -4.41 115.64 104.47 1fhb s THR 19 Ca 0.38 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1fhb s THR 19 Cb -0.03 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1fhb s THR 19 CO 0.24 -0.83 0.39 0.55 -0.54 0.00 0.00 174.62 174.43 1fhb n VAL 20 N 0.61 0.10 -2.44 2.29 3.14 -1.26 -0.45 118.33 120.31 1fhb n VAL 20 Ca -0.17 -0.36 -0.33 0.00 -2.96 0.00 0.00 64.34 60.52 1fhb n VAL 20 Cb 0.59 1.28 -0.03 0.00 -1.06 0.00 0.00 33.84 34.61 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1fhb s GLU 21 N -0.10 3.84 -0.39 1.45 -1.05 -1.26 -4.07 118.70 117.12 1fhb s GLU 21 Ca 0.00 1.13 -0.27 0.00 -0.15 0.00 0.00 54.97 55.69 1fhb s GLU 21 Cb 0.00 -2.11 -0.06 0.00 -0.44 0.00 0.00 34.13 31.52 1fhb s GLU 21 CO 0.00 -0.37 2.27 0.15 0.95 0.00 0.00 175.26 178.25 1fhb s LYS 22 N -3.70 2.57 0.00 -4.83 1.02 -1.26 -1.75 119.74 111.80 1fhb s LYS 22 Ca 0.62 1.57 0.00 0.00 0.02 0.00 0.00 55.97 58.19 1fhb s LYS 22 Cb -0.12 -4.47 0.00 0.00 -0.52 0.00 0.00 37.83 32.71 1fhb s LYS 22 CO 0.26 -2.75 0.00 0.41 -0.92 0.00 0.00 175.35 172.36 1fhb n GLY 23 N 5.86 0.71 3.76 -3.33 0.00 -1.26 -5.07 105.19 105.86 1fhb n GLY 23 Ca 0.32 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.37 2.87 0.58 -0.02 0.00 -0.71 -4.97 107.32 102.69 1fhb s GLY 24 Ca 0.00 1.26 -0.18 0.00 0.00 0.00 0.00 44.72 45.80 1fhb s GLY 24 CO 0.00 1.78 1.14 2.56 0.00 0.00 0.00 173.10 178.59 1fhb s PRO 25 N -2.78 3.12 -1.05 2.90 0.04 -1.26 -4.61 135.00 131.35 1fhb s PRO 25 Ca 0.68 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 63.11 1fhb s PRO 25 Cb -0.38 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1fhb s PRO 25 CO 0.46 -1.04 1.61 -1.01 0.04 0.00 0.00 177.00 177.06 1fhb s HIS 26 N -1.86 2.42 0.00 0.56 3.76 -1.26 -4.32 115.29 114.59 1fhb s HIS 26 Ca 0.73 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1fhb s HIS 26 Cb -0.25 -4.56 0.00 0.00 1.11 0.00 0.00 32.58 28.88 1fhb s HIS 26 CO 0.32 -1.85 0.00 1.63 -0.85 0.00 0.00 174.74 173.99 1fhb n LYS 27 N 8.77 0.00 -0.04 1.40 5.02 -1.26 -4.82 118.16 127.23 1fhb n LYS 27 Ca 0.37 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.48 1fhb n LYS 27 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.37 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 1.42 -2.30 -0.18 2.07 -1.65 -3.47 116.25 112.15 1fhb h VAL 28 Ca 0.00 -2.35 -0.50 0.00 0.82 0.00 0.00 66.70 64.66 1fhb h VAL 28 Cb 0.00 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 1fhb h VAL 28 CO 0.00 0.58 -0.50 -0.83 0.02 0.00 0.00 177.57 176.84 1fhb s GLY 29 N -4.53 1.42 0.68 2.17 0.00 0.04 -5.01 107.32 102.09 1fhb s GLY 29 Ca -0.20 -1.31 -0.13 0.00 0.00 0.00 0.00 44.72 43.08 1fhb s GLY 29 CO 0.71 -1.33 1.09 2.56 0.00 0.00 0.00 173.10 176.12 1fhb s PRO 30 N -3.72 2.80 0.26 2.90 0.04 -1.26 -4.47 135.00 131.55 1fhb s PRO 30 Ca 0.33 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1fhb s PRO 30 Cb -0.09 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 1fhb s PRO 30 CO 0.26 -1.23 1.60 1.21 0.04 0.00 0.00 177.00 178.88 1fhb s ASN 31 N -3.01 6.42 -0.10 6.66 3.84 -1.26 -4.38 114.94 123.12 1fhb s ASN 31 Ca 0.63 2.88 0.18 0.00 0.21 0.00 0.00 52.86 56.76 1fhb s ASN 31 Cb -0.18 -2.62 0.65 0.00 -0.55 0.00 0.00 41.25 38.55 1fhb s ASN 31 CO 0.46 -0.89 1.56 0.18 -2.79 0.00 0.00 177.10 175.62 1fhb n LEU 32 N 2.66 4.41 -4.77 3.21 4.77 0.40 -4.93 117.00 122.74 1fhb n LEU 32 Ca 0.10 -2.41 -0.37 0.00 -0.03 0.00 0.00 56.01 53.30 1fhb n LEU 32 Cb 0.37 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1fhb n LEU 32 CO 0.63 0.81 0.84 -2.28 -1.33 0.00 0.00 177.39 176.06 1fhb s HIS 33 N -1.76 2.84 -1.59 -1.77 2.46 -1.26 -3.05 115.29 111.15 1fhb s HIS 33 Ca 0.47 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.52 1fhb s HIS 33 Cb 0.30 -3.41 0.00 0.00 -0.13 0.00 0.00 32.58 29.34 1fhb s HIS 33 CO 0.23 -1.60 0.00 0.41 -2.47 0.00 0.00 174.74 171.31 1fhb n GLY 34 N 0.47 1.43 0.09 1.59 0.00 -0.52 -4.86 105.19 103.39 1fhb n GLY 34 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 1.14 -1.86 -0.61 6.09 -1.81 -3.34 117.51 117.12 1fhb h ILE 35 Ca -0.31 -0.42 -0.50 0.00 -1.37 0.00 0.00 64.86 62.27 1fhb h ILE 35 Cb 1.03 1.18 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 1fhb h ILE 35 CO 0.45 0.13 1.50 -0.36 -3.07 0.00 0.00 178.15 176.80 1fhb s PHE 36 N -5.61 1.33 0.00 2.19 0.40 -1.26 -0.85 117.98 114.18 1fhb s PHE 36 Ca -0.14 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 1fhb s PHE 36 Cb 0.06 -3.82 0.00 0.00 0.51 0.00 0.00 43.02 39.77 1fhb s PHE 36 CO 0.69 -2.66 0.00 0.41 0.70 0.00 0.00 175.22 174.37 1fhb n GLY 37 N 5.83 1.09 3.07 4.36 0.00 -1.14 -5.05 105.19 113.36 1fhb n GLY 37 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.62 2.17 0.72 1.61 1.81 -0.03 -5.06 118.95 119.55 1fhb s ARG 38 Ca 0.00 -0.56 -0.14 0.00 -1.72 0.00 0.00 55.73 53.31 1fhb s ARG 38 Cb 0.00 -1.78 0.04 0.00 -0.45 0.00 0.00 34.95 32.76 1fhb s ARG 38 CO 0.00 0.01 1.16 -0.65 -0.68 0.00 0.00 175.30 175.15 1fhb s GLN 39 N 0.75 2.26 0.87 3.54 -0.21 -1.26 -4.43 119.66 121.18 1fhb s GLN 39 Ca -0.12 1.59 -0.12 0.00 0.02 0.00 0.00 55.36 56.73 1fhb s GLN 39 Cb -0.16 -1.87 0.10 0.00 1.00 0.00 0.00 33.01 32.09 1fhb s GLN 39 CO 0.02 -1.70 1.05 -1.13 -2.12 0.00 0.00 175.29 171.42 1fhb n SER 40 N -2.79 0.26 -2.99 5.90 3.41 0.14 -3.94 113.62 113.59 1fhb n SER 40 Ca 0.12 0.48 -0.16 0.00 -0.26 0.00 0.00 58.87 59.05 1fhb n SER 40 Cb 0.51 -1.45 0.07 0.00 -0.26 0.00 0.00 64.21 63.08 1fhb n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fhb n GLY 41 N 0.59 -0.23 0.10 5.00 0.00 -1.26 -4.60 105.19 104.79 1fhb n GLY 41 Ca 0.12 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.78 0.67 -1.31 1.61 10.64 -1.25 -4.78 117.38 119.16 1fhb n GLN 42 Ca -0.14 0.10 -0.41 0.00 -1.83 0.00 0.00 57.00 54.71 1fhb n GLN 42 Cb 0.60 -1.43 -0.03 0.00 -0.86 0.00 0.00 30.24 28.52 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 -3.04 4.27 -0.19 2.61 0.00 -1.26 -4.79 120.51 118.10 1fhb n ALA 43 Ca -0.36 -3.42 -0.04 0.00 0.00 0.00 0.00 53.44 49.62 1fhb n ALA 43 Cb 0.93 -3.56 0.02 0.00 0.00 0.00 0.00 19.45 16.85 1fhb n ALA 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1fhb h GLU 44 N 7.08 -0.13 -3.92 0.00 -0.00 -2.02 -3.22 114.58 112.37 1fhb h GLU 44 Ca 0.49 0.01 -0.46 0.00 -0.00 0.00 0.00 59.36 59.39 1fhb h GLU 44 Cb 0.61 0.03 0.03 0.00 -0.00 0.00 0.00 28.75 29.42 1fhb h GLU 44 CO 1.90 -0.09 2.35 0.41 -0.00 0.00 0.00 179.01 183.59 1fhb n GLY 45 N -1.44 2.74 3.58 1.06 0.00 -1.26 -4.71 105.19 105.17 1fhb n GLY 45 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 4.23 -0.18 -1.20 1.61 5.04 -1.22 -5.05 117.35 120.58 1fhb s TYR 46 Ca 0.44 0.08 -0.22 0.00 -2.44 0.00 0.00 57.07 54.94 1fhb s TYR 46 Cb 0.11 0.54 -0.05 0.00 0.35 0.00 0.00 41.96 42.91 1fhb s TYR 46 CO 0.04 -0.37 1.89 -1.54 -1.34 0.00 0.00 175.55 174.23 1fhb s SER 47 N -2.43 5.45 0.39 4.32 1.04 -1.26 -4.92 113.70 116.28 1fhb s SER 47 Ca 0.09 -1.82 0.01 0.00 0.48 0.00 0.00 55.95 54.71 1fhb s SER 47 Cb -0.00 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.57 1fhb s SER 47 CO -0.05 -2.63 0.25 -1.22 0.98 0.00 0.00 173.24 170.57 1fhb n TYR 48 N 12.99 -3.14 -4.04 5.02 4.01 -1.26 -4.98 117.16 125.75 1fhb n TYR 48 Ca 0.45 -0.49 -0.12 0.00 -0.16 0.00 0.00 57.90 57.58 1fhb n TYR 48 Cb 0.46 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.45 0.38 0.20 -0.72 -4.23 -1.26 -5.04 115.64 104.51 1fhb s THR 49 Ca 0.17 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 1fhb s THR 49 Cb -0.01 -0.44 0.16 0.00 1.34 0.00 0.00 72.50 73.54 1fhb s THR 49 CO 0.11 -0.31 1.68 -0.78 -0.54 0.00 0.00 174.62 174.77 1fhb h ASP 50 N 4.86 -0.23 -0.12 3.99 3.58 -1.99 -1.77 116.42 124.74 1fhb h ASP 50 Ca -0.33 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.30 1fhb h ASP 50 Cb 1.20 0.23 -0.06 0.00 1.72 0.00 0.00 39.33 42.42 1fhb h ASP 50 CO 0.43 -0.09 -0.33 0.00 -2.88 0.00 0.00 179.24 176.37 1fhb h ALA 51 N 1.49 -0.40 0.09 -0.78 0.00 -1.90 0.14 119.26 117.90 1fhb h ALA 51 Ca 0.28 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1fhb h ALA 51 Cb 0.44 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1fhb h ALA 51 CO -0.46 -0.81 -0.23 -0.97 0.00 0.00 0.00 179.25 176.77 1fhb h ASN 52 N -0.41 -0.66 -0.02 0.00 -0.73 -1.62 1.00 115.58 113.14 1fhb h ASN 52 Ca 0.09 0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.38 1fhb h ASN 52 Cb 0.56 0.25 -0.06 0.00 0.27 0.00 0.00 38.32 39.34 1fhb h ASN 52 CO -0.35 -0.31 -0.38 0.40 -0.37 0.00 0.00 177.43 176.42 1fhb h ILE 53 N -0.41 0.21 0.00 2.57 2.04 -0.95 0.21 117.51 121.18 1fhb h ILE 53 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1fhb h ILE 53 Cb 0.45 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1fhb h ILE 53 CO -0.15 0.00 -0.03 0.11 0.00 0.00 0.00 178.15 178.09 1fhb h LYS 54 N -0.52 0.00 -1.32 2.37 1.57 -0.56 0.18 116.57 118.30 1fhb h LYS 54 Ca 0.06 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.57 1fhb h LYS 54 Cb 0.61 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.79 1fhb h LYS 54 CO -0.31 0.03 0.34 1.17 -0.57 0.00 0.00 179.45 180.11 1fhb n LYS 55 N -3.38 1.65 -0.62 3.15 3.00 0.33 -4.94 118.16 117.35 1fhb n LYS 55 Ca -0.02 -1.38 -0.18 0.00 -0.00 0.00 0.00 58.31 56.73 1fhb n LYS 55 Cb 0.14 -1.54 -0.06 0.00 0.00 0.00 0.00 35.03 33.57 1fhb n LYS 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1fhb n ASN 56 N 0.15 0.13 -3.74 3.14 4.13 0.63 -4.74 115.26 114.96 1fhb n ASN 56 Ca 0.27 0.09 -0.21 0.00 1.68 0.00 0.00 54.58 56.41 1fhb n ASN 56 Cb 0.76 -0.38 -0.17 0.00 -1.54 0.00 0.00 39.78 38.45 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fhb s VAL 57 N 3.66 0.17 0.53 2.41 1.01 -1.26 -4.88 120.40 122.03 1fhb s VAL 57 Ca 0.56 0.23 0.33 0.00 0.00 0.00 0.00 61.98 63.10 1fhb s VAL 57 Cb -0.53 -0.35 0.51 0.00 0.00 0.00 0.00 36.38 36.00 1fhb s VAL 57 CO 0.21 0.21 1.85 0.25 0.00 0.00 0.00 175.10 177.62 1fhb h LEU 58 N 8.20 0.03 -2.59 3.92 7.12 -1.91 0.38 115.31 130.47 1fhb h LEU 58 Ca -0.20 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1fhb h LEU 58 Cb 1.12 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1fhb h LEU 58 CO 0.25 0.01 -0.08 0.79 -0.13 0.00 0.00 178.44 179.28 1fhb n TRP 59 N -4.25 -1.96 -2.53 1.25 5.03 -1.26 -2.86 117.44 110.85 1fhb n TRP 59 Ca 0.22 0.76 -0.23 0.00 3.03 0.00 0.00 57.50 61.28 1fhb n TRP 59 Cb 1.07 -3.14 0.06 0.00 -1.03 0.00 0.00 31.31 28.27 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 -2.46 4.94 0.17 -0.99 -4.77 -1.26 -3.72 116.67 108.59 1fhb s ASP 60 Ca 0.04 0.01 -0.12 0.00 -3.30 0.00 0.00 52.55 49.18 1fhb s ASP 60 Cb -0.01 -0.72 0.08 0.00 -1.09 0.00 0.00 42.92 41.18 1fhb s ASP 60 CO 0.47 -1.42 1.73 -0.33 0.70 0.00 0.00 175.17 176.32 1fhb h GLU 61 N -0.22 0.91 0.62 2.11 5.08 -1.97 0.83 114.58 121.93 1fhb h GLU 61 Ca -0.41 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1fhb h GLU 61 Cb 1.29 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1fhb h GLU 61 CO 0.51 0.78 -0.30 -0.97 -1.00 0.00 0.00 179.01 178.03 1fhb h ASN 62 N 0.84 -0.71 -0.18 1.42 -0.73 -1.99 0.12 115.58 114.35 1fhb h ASN 62 Ca 0.20 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.42 1fhb h ASN 62 Cb 0.22 0.18 -0.05 0.00 0.27 0.00 0.00 38.32 38.94 1fhb h ASN 62 CO -0.01 -0.47 -0.15 -1.13 -0.37 0.00 0.00 177.43 175.30 1fhb h ASN 63 N -0.89 -0.47 -0.64 1.15 -0.73 -1.95 -1.55 115.58 110.49 1fhb h ASN 63 Ca -0.09 0.10 0.08 0.00 1.87 0.00 0.00 56.30 58.26 1fhb h ASN 63 Cb 0.66 0.24 -0.07 0.00 0.27 0.00 0.00 38.32 39.42 1fhb h ASN 63 CO 0.14 -0.19 0.30 -0.03 -0.37 0.00 0.00 177.43 177.28 1fhb h MET 64 N -0.16 0.51 -0.05 6.67 4.05 -0.74 0.45 114.93 125.66 1fhb h MET 64 Ca 0.11 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1fhb h MET 64 Cb 0.32 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 1fhb h MET 64 CO -0.28 0.34 -0.14 1.03 0.23 0.00 0.00 176.91 178.09 1fhb h SER 65 N 0.53 -0.43 0.45 1.39 0.87 0.12 0.14 113.55 116.61 1fhb h SER 65 Ca 0.31 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1fhb h SER 65 Cb 0.32 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1fhb h SER 65 CO -0.26 -0.19 -0.21 -0.08 -0.53 0.00 0.00 176.83 175.55 1fhb h GLU 66 N -0.21 -0.58 -0.51 2.24 4.22 -0.64 0.21 114.58 119.31 1fhb h GLU 66 Ca 0.06 0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.61 1fhb h GLU 66 Cb 0.30 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1fhb h GLU 66 CO -0.18 -0.38 -0.51 -0.92 -2.18 0.00 0.00 179.01 174.85 1fhb h TYR 67 N -0.61 -1.54 -0.72 0.92 3.20 -0.80 -0.87 116.97 116.55 1fhb h TYR 67 Ca -0.06 0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1fhb h TYR 67 Cb 0.47 0.74 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 1fhb h TYR 67 CO -0.04 -0.46 0.47 -0.07 -1.64 0.00 0.00 178.16 176.42 1fhb h LEU 68 N -0.31 0.66 -1.47 2.82 3.38 -0.49 0.24 115.31 120.14 1fhb h LEU 68 Ca 0.12 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1fhb h LEU 68 Cb 0.57 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1fhb h LEU 68 CO -0.65 0.43 0.47 0.74 0.09 0.00 0.00 178.44 179.52 1fhb h THR 69 N 0.76 0.92 -0.25 0.22 2.02 0.46 0.19 112.91 117.23 1fhb h THR 69 Ca 0.31 -0.20 -0.15 0.00 0.77 0.00 0.00 66.41 67.13 1fhb h THR 69 Cb 0.24 0.28 -0.14 0.00 -1.74 0.00 0.00 68.15 66.78 1fhb h THR 69 CO -0.10 0.11 -0.37 -0.46 0.37 0.00 0.00 175.52 175.07 1fhb n ASN 70 N -4.49 -2.59 -1.19 4.18 2.04 0.60 -4.24 115.26 109.57 1fhb n ASN 70 Ca 0.12 -2.70 0.00 0.00 -0.44 0.00 0.00 54.58 51.56 1fhb n ASN 70 Cb 0.35 1.50 0.00 0.00 -2.53 0.00 0.00 39.78 39.10 1fhb n ASN 70 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1fhb n PRO 71 N 2.01 0.29 0.00 -0.53 -0.04 0.18 -1.50 135.00 135.42 1fhb n PRO 71 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1fhb n PRO 71 Cb 0.63 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.08 0.00 -0.25 0.54 4.81 -1.26 -0.60 118.16 122.48 1fhb n LYS 73 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1fhb n LYS 73 Cb 0.14 0.00 0.37 0.00 0.02 0.00 0.00 35.03 35.56 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 0.81 -3.66 5.64 5.03 -1.60 -3.04 116.97 120.15 1fhb h TYR 74 Ca 0.00 0.02 -0.67 0.00 2.58 0.00 0.00 58.73 60.66 1fhb h TYR 74 Cb 0.00 -0.26 -0.38 0.00 1.55 0.00 0.00 36.73 37.64 1fhb h TYR 74 CO 0.00 0.34 -0.68 0.42 -1.32 0.00 0.00 178.16 176.91 1fhb s ILE 75 N -5.68 2.56 -1.23 1.81 1.01 0.23 -5.04 121.20 114.86 1fhb s ILE 75 Ca -0.10 -2.15 -0.16 0.00 0.00 0.00 0.00 60.65 58.24 1fhb s ILE 75 Cb 0.21 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1fhb s ILE 75 CO 0.78 -0.54 2.16 -0.81 0.00 0.00 0.00 174.94 176.54 1fhb n PRO 76 N 4.38 2.43 0.00 2.79 -0.04 -1.15 -3.58 135.00 139.82 1fhb n PRO 76 Ca -0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1fhb n PRO 76 Cb 0.42 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 4.21 -0.76 2.95 0.55 0.00 -1.26 -4.90 105.19 105.98 1fhb n GLY 77 Ca 0.52 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.59 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 0.42 -1.26 2.61 -1.32 -1.24 -4.17 115.64 110.69 1fhb s THR 78 Ca 0.00 -0.20 0.18 0.00 -1.21 0.00 0.00 61.69 60.45 1fhb s THR 78 Cb 0.00 -0.37 0.25 0.00 -1.51 0.00 0.00 72.50 70.87 1fhb s THR 78 CO 0.00 0.13 1.55 1.17 -2.21 0.00 0.00 174.62 175.26 1fhb n LYS 79 N 3.09 0.15 -1.74 7.08 4.81 -1.26 -4.73 118.16 125.57 1fhb n LYS 79 Ca -0.15 0.15 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1fhb n LYS 79 Cb 0.57 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.74 0.85 -0.89 3.14 0.00 -1.26 -4.82 121.76 116.04 1fhb s ALA 80 Ca 0.14 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 1fhb s ALA 80 Cb 0.12 -4.68 -0.08 0.00 0.00 0.00 0.00 23.12 18.47 1fhb s ALA 80 CO 0.29 -6.36 2.06 0.00 0.00 0.00 0.00 175.76 171.75 1fhb n ALA 81 N 18.12 4.30 -3.10 0.00 0.00 -1.26 -4.87 120.51 133.70 1fhb n ALA 81 Ca 0.43 -2.51 -0.31 0.00 0.00 0.00 0.00 53.44 51.05 1fhb n ALA 81 Cb 0.46 -3.23 -0.17 0.00 0.00 0.00 0.00 19.45 16.51 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 3.92 2.38 -0.95 0.00 5.36 -1.26 -5.07 117.98 122.36 1fhb s PHE 82 Ca 0.46 -0.89 -0.24 0.00 -0.96 0.00 0.00 56.93 55.30 1fhb s PHE 82 Cb 0.12 -1.59 -0.00 0.00 -0.34 0.00 0.00 43.02 41.20 1fhb s PHE 82 CO 0.02 -0.34 1.72 0.20 -1.46 0.00 0.00 175.22 175.36 1fhb s GLY 83 N 0.22 0.66 0.01 13.12 0.00 -1.26 -4.84 107.32 115.23 1fhb s GLY 83 Ca -0.14 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.64 1fhb s GLY 83 CO 0.07 3.13 0.29 0.61 0.00 0.00 0.00 173.10 177.20 1fhb n GLY 84 N 6.84 -0.19 3.53 0.20 0.00 -1.26 -4.73 105.19 109.59 1fhb n GLY 84 Ca 0.36 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 0.49 3.12 -0.10 0.99 4.77 0.66 -4.76 117.00 122.16 1fhb n LEU 85 Ca 0.06 -3.12 -0.05 0.00 -0.03 0.00 0.00 56.01 52.87 1fhb n LEU 85 Cb 0.04 -1.66 0.02 0.00 -2.33 0.00 0.00 43.42 39.48 1fhb n LEU 85 CO 0.18 -1.73 0.87 0.11 -1.33 0.00 0.00 177.39 175.50 1fhb h LYS 86 N 9.56 0.13 -1.02 3.23 1.79 -1.84 -3.30 116.57 125.11 1fhb h LYS 86 Ca 0.23 -0.01 0.28 0.00 -2.18 0.00 0.00 60.65 58.97 1fhb h LYS 86 Cb 0.91 -0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.40 1fhb h LYS 86 CO 1.30 0.09 0.61 0.87 -1.08 0.00 0.00 179.45 181.24 1fhb h LYS 87 N 0.14 0.46 0.00 3.15 1.57 -1.99 -3.45 116.57 116.44 1fhb h LYS 87 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1fhb h LYS 87 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1fhb h LYS 87 CO -0.27 0.30 0.00 -1.91 -0.57 0.00 0.00 179.45 177.00 1fhb n GLU 88 N -4.90 0.00 0.39 3.15 0.00 -1.24 -4.55 120.64 113.49 1fhb n GLU 88 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 57.27 1fhb n GLU 88 Cb 0.85 -0.00 -0.09 0.00 0.00 0.00 0.00 31.44 32.21 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 -0.94 -0.65 5.31 6.56 -1.93 0.23 116.57 125.14 1fhb h LYS 89 Ca 0.00 0.06 0.11 0.00 -1.06 0.00 0.00 60.65 59.76 1fhb h LYS 89 Cb 0.00 0.21 -0.08 0.00 -0.57 0.00 0.00 32.23 31.79 1fhb h LYS 89 CO 0.00 -0.61 0.24 -0.44 -2.06 0.00 0.00 179.45 176.58 1fhb h ASP 90 N -1.09 0.21 -0.53 0.86 3.32 -1.98 -1.60 116.42 115.62 1fhb h ASP 90 Ca -0.10 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.14 1fhb h ASP 90 Cb 0.77 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 1fhb h ASP 90 CO 0.16 0.11 0.03 -0.09 -1.72 0.00 0.00 179.24 177.74 1fhb h ARG 91 N 0.40 0.15 -0.38 3.56 2.43 -1.78 0.45 114.38 119.21 1fhb h ARG 91 Ca 0.34 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 1fhb h ARG 91 Cb 0.46 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1fhb h ARG 91 CO -0.35 0.10 0.09 -0.91 -1.51 0.00 0.00 179.97 177.39 1fhb h ASN 92 N 0.15 0.05 0.34 -3.80 2.35 0.46 0.27 115.58 115.41 1fhb h ASN 92 Ca 0.27 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1fhb h ASN 92 Cb 0.40 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1fhb h ASN 92 CO -0.41 0.06 -0.17 0.44 -1.65 0.00 0.00 177.43 175.70 1fhb h ASP 93 N 0.23 -0.40 -0.34 5.81 3.32 -1.28 -1.68 116.42 122.08 1fhb h ASP 93 Ca 0.18 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.32 1fhb h ASP 93 Cb 0.20 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1fhb h ASP 93 CO -0.22 -0.28 -0.23 0.25 -1.72 0.00 0.00 179.24 177.03 1fhb h LEU 94 N -0.47 -0.77 -0.18 1.55 5.85 -0.20 0.93 115.31 122.02 1fhb h LEU 94 Ca -0.05 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1fhb h LEU 94 Cb 0.36 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1fhb h LEU 94 CO 0.07 -0.26 -0.03 0.40 -0.34 0.00 0.00 178.44 178.28 1fhb h ILE 95 N -0.19 0.84 -0.26 4.05 2.04 -0.44 0.16 117.51 123.70 1fhb h ILE 95 Ca 0.17 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.09 1fhb h ILE 95 Cb 0.46 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1fhb h ILE 95 CO -0.46 0.00 -0.12 0.74 0.00 0.00 0.00 178.15 178.31 1fhb h THR 96 N 0.02 0.61 -0.16 -0.27 2.02 -0.59 0.16 112.91 114.69 1fhb h THR 96 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1fhb h THR 96 Cb 0.12 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1fhb h THR 96 CO -0.17 0.00 -0.10 0.22 0.37 0.00 0.00 175.52 175.84 1fhb h TYR 97 N -0.09 -0.24 -0.24 3.16 3.20 -0.26 -1.40 116.97 121.09 1fhb h TYR 97 Ca 0.14 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1fhb h TYR 97 Cb 0.30 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1fhb h TYR 97 CO -0.31 -0.15 0.07 1.25 -1.64 0.00 0.00 178.16 177.38 1fhb h LEU 98 N -0.10 0.06 -0.41 2.82 5.85 0.02 0.22 115.31 123.77 1fhb h LEU 98 Ca 0.09 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1fhb h LEU 98 Cb 0.24 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1fhb h LEU 98 CO -0.22 0.06 -0.01 0.50 -0.34 0.00 0.00 178.44 178.44 1fhb h LYS 99 N 0.17 0.09 0.50 1.25 3.64 -0.42 0.15 116.57 121.96 1fhb h LYS 99 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1fhb h LYS 99 Cb 0.09 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1fhb h LYS 99 CO -0.13 0.06 -0.24 -0.22 -2.27 0.00 0.00 179.45 176.65 1fhb h LYS 100 N 0.10 -0.65 -0.83 1.90 3.11 -0.76 -3.22 116.57 116.21 1fhb h LYS 100 Ca 0.20 0.04 0.24 0.00 -2.81 0.00 0.00 60.65 58.33 1fhb h LYS 100 Cb 0.29 0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 1fhb h LYS 100 CO -0.34 -0.34 0.67 0.00 -2.81 0.00 0.00 179.45 176.63 1fhb h ALA 101 N -0.64 2.71 0.00 5.00 0.00 -0.06 0.23 119.26 126.51 1fhb h ALA 101 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1fhb h ALA 101 Cb 0.60 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1fhb h ALA 101 CO 0.11 -1.10 -0.04 0.66 0.00 0.00 0.00 179.25 178.88 1fhb h SER 102 N 0.00 0.00 -0.02 0.00 4.64 -0.72 -3.45 113.55 114.00 1fhb h SER 102 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1fhb h SER 102 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1fhb h SER 102 CO -0.00 0.04 0.00 1.21 -0.87 0.00 0.00 176.83 177.21