#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auu s LYS 2 N 0.00 1.79 -0.53 0.03 1.02 -1.07 -4.44 119.74 116.54 1auu s LYS 2 Ca 0.00 -1.82 -0.21 0.00 0.02 0.00 0.00 55.97 53.96 1auu s LYS 2 Cb 0.00 0.39 0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1auu s LYS 2 CO 0.00 -0.71 0.75 0.42 -0.92 0.00 0.00 175.35 174.89 1auu s ILE 3 N -3.31 4.69 -0.04 2.17 1.09 -1.26 -2.43 121.20 122.10 1auu s ILE 3 Ca 0.34 -0.23 -0.12 0.00 -1.10 0.00 0.00 60.65 59.55 1auu s ILE 3 Cb 0.01 -4.40 -0.31 0.00 -1.06 0.00 0.00 42.46 36.70 1auu s ILE 3 CO 0.22 -0.94 0.69 0.50 -0.10 0.00 0.00 174.94 175.31 1auu h LYS 4 N 9.12 0.41 -2.95 2.79 3.11 -0.53 -3.40 116.57 125.12 1auu h LYS 4 Ca -0.27 -0.70 0.01 0.00 -2.81 0.00 0.00 60.65 56.88 1auu h LYS 4 Cb 1.09 0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 32.57 1auu h LYS 4 CO 1.02 1.33 0.30 1.03 -2.81 0.00 0.00 179.45 180.32 1auu s ARG 5 N -2.58 2.11 -0.10 1.90 0.52 -0.17 -4.96 118.95 115.68 1auu s ARG 5 Ca -0.16 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1auu s ARG 5 Cb 0.05 0.60 0.01 0.00 0.52 0.00 0.00 34.95 36.14 1auu s ARG 5 CO 0.86 -0.99 -0.16 0.42 0.02 0.00 0.00 175.30 175.45 1auu s ILE 6 N -2.45 1.51 -0.26 1.52 1.09 -1.26 -0.71 121.20 120.63 1auu s ILE 6 Ca 0.16 -0.67 -0.14 0.00 -1.10 0.00 0.00 60.65 58.90 1auu s ILE 6 Cb -0.05 -1.37 -0.14 0.00 -1.06 0.00 0.00 42.46 39.84 1auu s ILE 6 CO 0.10 0.44 -0.23 0.18 -0.10 0.00 0.00 174.94 175.34 1auu n LEU 7 N 4.02 2.02 0.00 2.97 4.77 -0.15 -4.85 117.00 125.78 1auu n LEU 7 Ca -0.20 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1auu n LEU 7 Cb 0.52 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1auu n LEU 7 CO 0.25 0.55 0.00 -0.46 -1.33 0.00 0.00 177.39 176.40 1auu n ASN 8 N -4.21 0.00 -0.10 -1.43 0.23 1.00 -4.91 115.26 105.84 1auu n ASN 8 Ca -0.50 -1.00 0.20 0.00 -0.53 0.00 0.00 54.58 52.76 1auu n ASN 8 Cb 0.86 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 39.19 1auu n ASN 8 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1auu h HIS 9 N 1.00 0.17 0.00 -2.53 -0.00 -1.97 -3.10 115.15 108.72 1auu h HIS 9 Ca 0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 1auu h HIS 9 Cb 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 1auu h HIS 9 CO 0.00 0.06 -1.42 0.09 -0.00 0.00 0.00 177.93 176.66 1auu n ASN 10 N -4.39 3.36 -4.74 3.26 3.02 -1.26 -1.26 115.26 113.25 1auu n ASN 10 Ca 0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.32 1auu n ASN 10 Cb 0.66 0.86 -0.07 0.00 -0.61 0.00 0.00 39.78 40.62 1auu n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1auu s ALA 11 N -2.26 3.63 -0.06 5.41 0.00 -1.17 0.22 121.76 127.54 1auu s ALA 11 Ca -0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1auu s ALA 11 Cb 0.03 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1auu s ALA 11 CO 0.28 0.15 0.16 0.42 0.00 0.00 0.00 175.76 176.77 1auu s ILE 12 N 0.31 -0.01 -0.03 0.00 -1.09 -0.11 -0.00 121.20 120.27 1auu s ILE 12 Ca 0.15 0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.34 1auu s ILE 12 Cb -0.13 -0.23 -0.04 0.00 -1.58 0.00 0.00 42.46 40.49 1auu s ILE 12 CO 0.03 0.01 0.78 -0.69 -1.23 0.00 0.00 174.94 173.84 1auu s VAL 13 N 0.24 4.95 0.05 2.92 1.01 0.11 -0.64 120.40 129.04 1auu s VAL 13 Ca -0.01 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.66 1auu s VAL 13 Cb -0.03 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1auu s VAL 13 CO -0.01 0.25 -0.16 0.68 0.00 0.00 0.00 175.10 175.86 1auu s VAL 14 N 0.72 1.24 0.37 2.92 -7.23 0.39 0.22 120.40 119.02 1auu s VAL 14 Ca 0.41 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.52 1auu s VAL 14 Cb -0.19 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 1auu s VAL 14 CO 0.21 -0.02 0.43 -1.59 -0.31 0.00 0.00 175.10 173.83 1auu s LYS 15 N -1.33 2.86 0.14 4.82 -2.85 -1.02 0.06 119.74 122.43 1auu s LYS 15 Ca 0.02 -1.22 -0.24 0.00 -1.00 0.00 0.00 55.97 53.53 1auu s LYS 15 Cb -0.09 -2.65 0.07 0.00 -2.06 0.00 0.00 37.83 33.10 1auu s LYS 15 CO 0.02 -0.04 0.77 0.34 0.10 0.00 0.00 175.35 176.54 1auu s ASP 16 N -4.16 -0.37 0.28 0.03 2.15 -0.69 -2.59 116.67 111.33 1auu s ASP 16 Ca 0.47 -0.22 0.02 0.00 0.43 0.00 0.00 52.55 53.25 1auu s ASP 16 Cb -0.08 0.55 0.65 0.00 -0.30 0.00 0.00 42.92 43.74 1auu s ASP 16 CO 0.30 -0.96 1.73 1.56 -0.17 0.00 0.00 175.17 177.64 1auu h GLN 17 N 2.00 0.52 0.25 4.34 4.20 -2.01 -1.64 115.11 122.78 1auu h GLN 17 Ca -0.26 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1auu h GLN 17 Cb 1.26 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1auu h GLN 17 CO 0.30 0.35 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.78 1auu h ASN 18 N 0.54 -0.29 0.00 1.46 2.35 -2.03 -3.49 115.58 114.12 1auu h ASN 18 Ca 0.52 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1auu h ASN 18 Cb 0.87 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1auu h ASN 18 CO -0.44 -0.01 0.00 -1.84 -1.65 0.00 0.00 177.43 173.49 1auu n GLU 19 N -5.14 -0.87 -2.60 0.81 0.28 -0.62 -5.14 120.64 107.37 1auu n GLU 19 Ca -0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.51 1auu n GLU 19 Cb 0.22 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.04 1auu n GLU 19 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1auu s GLU 20 N -0.79 4.66 -0.03 3.44 2.12 -1.26 -1.70 118.70 125.15 1auu s GLU 20 Ca 0.00 1.63 -0.02 0.00 0.36 0.00 0.00 54.97 56.94 1auu s GLU 20 Cb 0.00 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.28 1auu s GLU 20 CO 0.00 0.28 0.07 -1.59 -0.54 0.00 0.00 175.26 173.48 1auu s LYS 21 N -1.51 0.07 -0.17 4.30 -2.85 0.11 -3.97 119.74 115.71 1auu s LYS 21 Ca 0.45 0.13 -0.20 0.00 -1.00 0.00 0.00 55.97 55.35 1auu s LYS 21 Cb -0.28 -0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.44 1auu s LYS 21 CO 0.35 -0.04 0.57 0.42 0.10 0.00 0.00 175.35 176.75 1auu s ILE 22 N 0.26 5.08 -0.23 3.79 -1.09 0.18 -0.46 121.20 128.74 1auu s ILE 22 Ca -0.02 1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 59.43 1auu s ILE 22 Cb -0.03 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1auu s ILE 22 CO -0.01 0.18 0.02 -0.76 -1.23 0.00 0.00 174.94 173.14 1auu s LEU 23 N 1.50 3.21 -0.24 2.97 1.02 0.19 -0.05 118.68 127.28 1auu s LEU 23 Ca 0.27 -0.27 -0.06 0.00 0.02 0.00 0.00 54.13 54.09 1auu s LEU 23 Cb -0.16 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1auu s LEU 23 CO 0.11 -0.02 0.02 -0.76 0.02 0.00 0.00 176.35 175.73 1auu s LEU 24 N 1.48 3.27 -0.20 1.79 1.43 -0.21 -0.93 118.68 125.32 1auu s LEU 24 Ca 0.06 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1auu s LEU 24 Cb -0.15 -1.84 0.08 0.00 0.03 0.00 0.00 46.19 44.31 1auu s LEU 24 CO 0.01 -0.05 0.44 -0.83 0.23 0.00 0.00 176.35 176.15 1auu s GLY 25 N 1.54 -0.38 -0.55 -3.19 0.00 0.13 -0.57 107.32 104.30 1auu s GLY 25 Ca 0.06 1.62 -0.29 0.00 0.00 0.00 0.00 44.72 46.10 1auu s GLY 25 CO 0.01 2.14 2.42 0.00 0.00 0.00 0.00 173.10 177.66 1auu n ALA 26 N 4.85 0.82 -0.36 3.20 0.00 -1.26 0.37 120.51 128.13 1auu n ALA 26 Ca -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1auu n ALA 26 Cb 0.52 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1auu n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auu n GLY 27 N 6.23 0.81 0.34 0.00 0.00 -1.18 -4.96 105.19 106.43 1auu n GLY 27 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 1auu n GLY 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1auu h ILE 28 N 0.00 1.23 -0.72 -0.61 2.10 0.08 -1.87 117.51 117.72 1auu h ILE 28 Ca 0.00 -0.62 -0.06 0.00 1.08 0.00 0.00 64.86 65.26 1auu h ILE 28 Cb 0.00 0.23 -0.03 0.00 -1.09 0.00 0.00 36.82 35.93 1auu h ILE 28 CO 0.00 0.27 0.21 0.00 -1.08 0.00 0.00 178.15 177.55 1auu h ALA 29 N 1.36 1.01 -2.74 0.18 0.00 -1.39 -3.39 119.26 114.30 1auu h ALA 29 Ca 0.27 -0.23 -0.51 0.00 0.00 0.00 0.00 54.91 54.44 1auu h ALA 29 Cb 0.07 -0.28 0.05 0.00 0.00 0.00 0.00 17.79 17.63 1auu h ALA 29 CO -0.04 0.66 0.51 0.12 0.00 0.00 0.00 179.25 180.50 1auu s PHE 30 N -5.37 3.07 -1.16 0.00 5.36 -0.70 -2.75 117.98 116.44 1auu s PHE 30 Ca -0.12 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1auu s PHE 30 Cb 0.15 -3.40 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1auu s PHE 30 CO 0.84 -1.33 0.00 -1.71 -1.46 0.00 0.00 175.22 171.56 1auu n ASN 31 N 0.12 -4.15 -3.80 6.13 2.85 -1.26 -4.96 115.26 110.19 1auu n ASN 31 Ca 0.04 0.06 -0.12 0.00 -0.11 0.00 0.00 54.58 54.45 1auu n ASN 31 Cb 0.46 -3.22 -0.08 0.00 1.24 0.00 0.00 39.78 38.18 1auu n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1auu s LYS 32 N -4.32 0.71 0.33 1.20 -0.14 -1.11 -4.92 119.74 111.49 1auu s LYS 32 Ca 0.00 -0.47 -0.11 0.00 -1.36 0.00 0.00 55.97 54.04 1auu s LYS 32 Cb 0.00 0.30 0.02 0.00 -1.68 0.00 0.00 37.83 36.47 1auu s LYS 32 CO 0.00 -0.21 0.60 -1.59 -0.76 0.00 0.00 175.35 173.39 1auu s LYS 33 N -2.16 1.93 0.25 1.68 -2.85 -1.26 -4.98 119.74 112.35 1auu s LYS 33 Ca -0.08 -1.48 -0.31 0.00 -1.00 0.00 0.00 55.97 53.10 1auu s LYS 33 Cb -0.03 0.52 -0.11 0.00 -2.06 0.00 0.00 37.83 36.15 1auu s LYS 33 CO -0.01 -0.85 1.63 0.21 0.10 0.00 0.00 175.35 176.43 1auu s LYS 34 N -3.09 4.14 0.00 1.78 2.36 -1.26 -1.52 119.74 122.15 1auu s LYS 34 Ca 0.22 2.56 0.00 0.00 -2.55 0.00 0.00 55.97 56.20 1auu s LYS 34 Cb -0.02 -3.06 0.00 0.00 -1.05 0.00 0.00 37.83 33.70 1auu s LYS 34 CO 0.14 -0.66 0.00 0.09 1.55 0.00 0.00 175.35 176.46 1auu n ASN 35 N 2.97 -3.85 -0.58 1.43 3.02 -1.26 -4.85 115.26 112.15 1auu n ASN 35 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 1auu n ASN 35 Cb 0.37 -1.67 0.13 0.00 -0.61 0.00 0.00 39.78 38.00 1auu n ASN 35 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1auu n ASP 36 N -0.37 2.07 -1.12 6.41 2.03 -0.57 -4.94 116.55 120.05 1auu n ASP 36 Ca 0.00 -1.54 0.00 0.00 0.52 0.00 0.00 54.79 53.77 1auu n ASP 36 Cb 0.19 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1auu n ASP 36 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1auu n ILE 37 N 0.25 -2.40 -2.75 5.18 5.41 -1.26 -4.86 119.36 118.93 1auu n ILE 37 Ca 0.12 1.15 -0.40 0.00 1.00 0.00 0.00 62.75 64.61 1auu n ILE 37 Cb 0.47 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.52 1auu n ILE 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1auu s VAL 38 N -4.70 4.27 0.09 1.39 0.11 -1.26 -4.78 120.40 115.51 1auu s VAL 38 Ca 0.00 2.06 -0.31 0.00 -2.93 0.00 0.00 61.98 60.80 1auu s VAL 38 Cb 0.00 -4.32 -0.06 0.00 -1.53 0.00 0.00 36.38 30.47 1auu s VAL 38 CO 0.00 0.43 1.24 -0.62 -3.33 0.00 0.00 175.10 172.81 1auu s ASP 39 N -0.69 7.03 0.18 3.54 2.15 -1.26 -4.93 116.67 122.69 1auu s ASP 39 Ca 0.43 2.10 -0.04 0.00 0.43 0.00 0.00 52.55 55.48 1auu s ASP 39 Cb -0.25 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 39.87 1auu s ASP 39 CO 0.31 -0.50 1.48 1.55 -0.17 0.00 0.00 175.17 177.84 1auu h PRO 40 N 6.64 0.57 0.00 4.34 0.13 -1.94 -1.77 132.00 139.96 1auu h PRO 40 Ca -0.42 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.32 1auu h PRO 40 Cb 1.21 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1auu h PRO 40 CO 0.82 0.99 -0.04 1.03 -0.23 0.00 0.00 178.00 180.56 1auu h SER 41 N 0.43 0.00 0.83 1.44 0.87 -2.05 -1.45 113.55 113.62 1auu h SER 41 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1auu h SER 41 Cb 1.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1auu h SER 41 CO 0.11 0.04 -1.26 0.11 -0.53 0.00 0.00 176.83 175.30 1auu h LYS 42 N 0.00 0.00 -5.99 2.24 1.57 -1.90 -3.45 116.57 109.04 1auu h LYS 42 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1auu h LYS 42 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1auu h LYS 42 CO 0.01 0.57 1.45 -0.89 -0.57 0.00 0.00 179.45 180.01 1auu n ILE 43 N -3.11 0.27 -0.07 1.86 5.41 -0.55 -4.21 119.36 118.97 1auu n ILE 43 Ca -0.08 -0.35 -0.06 0.00 1.00 0.00 0.00 62.75 63.26 1auu n ILE 43 Cb 0.92 -2.09 -0.13 0.00 -0.71 0.00 0.00 39.64 37.63 1auu n ILE 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1auu n GLU 44 N 8.43 1.33 -3.73 0.38 1.02 -0.56 -4.97 120.64 122.56 1auu n GLU 44 Ca 0.35 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1auu n GLU 44 Cb 0.34 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 1auu n GLU 44 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1auu s LYS 45 N -2.46 0.34 -0.22 3.49 2.20 0.26 -4.98 119.74 118.37 1auu s LYS 45 Ca -0.08 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 56.08 1auu s LYS 45 Cb 0.05 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 1auu s LYS 45 CO 0.65 -0.11 -0.05 0.99 -0.36 0.00 0.00 175.35 176.47 1auu s THR 46 N 0.84 3.29 0.10 3.43 2.01 -1.26 -1.04 115.64 123.01 1auu s THR 46 Ca -0.05 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.50 1auu s THR 46 Cb -0.06 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1auu s THR 46 CO -0.06 0.43 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.79 1auu s PHE 47 N 1.46 2.62 -0.04 4.92 0.40 0.92 -4.95 117.98 123.31 1auu s PHE 47 Ca 0.06 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 1auu s PHE 47 Cb -0.14 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.01 1auu s PHE 47 CO -0.04 0.38 0.10 0.42 0.70 0.00 0.00 175.22 176.79 1auu s ILE 48 N -1.14 -0.02 0.05 0.64 1.01 -1.26 0.50 121.20 120.98 1auu s ILE 48 Ca 0.19 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.62 1auu s ILE 48 Cb -0.11 -0.17 -0.07 0.00 0.01 0.00 0.00 42.46 42.12 1auu s ILE 48 CO 0.11 0.04 1.54 0.00 0.00 0.00 0.00 174.94 176.63 1auu s ARG 49 N 0.57 4.24 -0.33 2.79 1.70 -1.25 -4.92 118.95 121.74 1auu s ARG 49 Ca -0.04 2.19 -0.29 0.00 -0.47 0.00 0.00 55.73 57.12 1auu s ARG 49 Cb -0.06 -3.55 -0.01 0.00 -0.57 0.00 0.00 34.95 30.76 1auu s ARG 49 CO -0.02 -0.65 1.63 0.21 -1.08 0.00 0.00 175.30 175.38 1auu s LYS 50 N 2.39 3.53 -0.12 3.89 2.20 -1.26 -4.89 119.74 125.48 1auu s LYS 50 Ca 0.70 1.34 -0.06 0.00 -0.36 0.00 0.00 55.97 57.58 1auu s LYS 50 Cb -0.37 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 31.81 1auu s LYS 50 CO 0.30 -1.62 0.03 0.22 -0.36 0.00 0.00 175.35 173.92 1auu h ASP 51 N 11.66 0.00 -4.66 1.43 3.58 -2.02 -3.48 116.42 122.92 1auu h ASP 51 Ca -0.32 -0.11 -0.27 0.00 0.42 0.00 0.00 57.03 56.75 1auu h ASP 51 Cb 1.14 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.97 1auu h ASP 51 CO 1.04 0.65 -0.73 0.42 -2.88 0.00 0.00 179.24 177.74 1auu s THR 52 N -1.83 0.46 -0.03 2.25 -4.23 -1.26 -5.09 115.64 105.92 1auu s THR 52 Ca -0.07 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1auu s THR 52 Cb 0.01 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.31 1auu s THR 52 CO 0.15 -0.32 0.20 1.55 -0.54 0.00 0.00 174.62 175.65 1auu h PRO 53 N 4.74 -0.09 0.00 3.99 0.13 -2.03 -3.44 132.00 135.30 1auu h PRO 53 Ca -0.34 0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.63 1auu h PRO 53 Cb 1.20 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1auu h PRO 53 CO 0.42 -0.06 -1.39 -3.47 -0.23 0.00 0.00 178.00 173.28 1auu n ASP 54 N -3.18 1.47 0.00 1.44 2.03 -1.26 -5.27 116.55 111.79 1auu n ASP 54 Ca -0.01 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1auu n ASP 54 Cb 0.04 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1auu n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28