#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 3.66 -0.41 0.03 -2.85 -1.06 -0.68 119.74 118.43 1auu s LYS 2 Ca 0.00 1.29 -0.29 0.00 -1.00 0.00 0.00 55.97 55.97 1auu s LYS 2 Cb 0.00 -2.08 0.02 0.00 -2.06 0.00 0.00 37.83 33.71 1auu s LYS 2 CO 0.00 -0.54 1.25 0.42 0.10 0.00 0.00 175.35 176.58 1auu s ILE 3 N -2.16 4.13 -0.06 3.79 1.09 0.01 -1.45 121.20 126.55 1auu s ILE 3 Ca 0.66 1.19 -0.06 0.00 -1.10 0.00 0.00 60.65 61.33 1auu s ILE 3 Cb -0.16 -4.39 -0.28 0.00 -1.06 0.00 0.00 42.46 36.57 1auu s ILE 3 CO 0.26 -0.79 0.60 0.50 -0.10 0.00 0.00 174.94 175.40 1auu h LYS 4 N 9.60 0.30 -4.10 2.79 3.11 -0.13 -1.35 116.57 126.79 1auu h LYS 4 Ca -0.25 -0.51 -0.14 0.00 -2.81 0.00 0.00 60.65 56.95 1auu h LYS 4 Cb 1.08 0.19 -0.13 0.00 -1.00 0.00 0.00 32.23 32.37 1auu h LYS 4 CO 1.09 1.19 -0.41 1.03 -2.81 0.00 0.00 179.45 179.54 1auu s ARG 5 N -2.58 1.20 -0.16 1.90 0.52 0.23 -4.93 118.95 115.13 1auu s ARG 5 Ca -0.16 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 1auu s ARG 5 Cb 0.06 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.88 1auu s ARG 5 CO 0.82 -0.43 -0.16 0.42 0.02 0.00 0.00 175.30 175.98 1auu s ILE 6 N -4.04 2.60 -0.22 1.52 -1.09 -1.26 -0.66 121.20 118.05 1auu s ILE 6 Ca 0.24 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.70 1auu s ILE 6 Cb 0.04 -2.10 -0.18 0.00 -1.58 0.00 0.00 42.46 38.65 1auu s ILE 6 CO 0.05 0.52 0.04 0.18 -1.23 0.00 0.00 174.94 174.50 1auu n LEU 7 N 4.13 2.01 0.00 2.97 4.77 -0.25 -4.87 117.00 125.76 1auu n LEU 7 Ca -0.19 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1auu n LEU 7 Cb 0.52 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1auu n LEU 7 CO 0.28 0.45 0.00 -0.46 -1.33 0.00 0.00 177.39 176.33 1auu n ASN 8 N -4.24 0.00 0.17 -1.43 0.23 0.81 -4.91 115.26 105.90 1auu n ASN 8 Ca -0.39 -0.69 0.12 0.00 -0.53 0.00 0.00 54.58 53.08 1auu n ASN 8 Cb 0.79 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 39.14 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 0.69 0.02 0.00 -2.53 -0.00 -1.98 -3.18 115.15 108.17 1auu h HIS 9 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 1auu h HIS 9 Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1auu h HIS 9 CO 0.00 0.01 -1.50 0.09 -0.00 0.00 0.00 177.93 176.54 1auu n ASN 10 N -4.49 3.04 -4.78 3.26 3.02 -1.26 -1.51 115.26 112.55 1auu n ASN 10 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 1auu n ASN 10 Cb 0.25 0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 40.26 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 -2.32 3.74 -0.07 5.41 0.00 -1.20 0.32 121.76 127.64 1auu s ALA 11 Ca -0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1auu s ALA 11 Cb 0.03 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1auu s ALA 11 CO 0.33 0.30 0.17 0.42 0.00 0.00 0.00 175.76 176.99 1auu s ILE 12 N -0.07 -0.01 -0.43 0.00 -1.09 0.25 -0.13 121.20 119.71 1auu s ILE 12 Ca 0.11 0.05 -0.24 0.00 -2.23 0.00 0.00 60.65 58.34 1auu s ILE 12 Cb -0.12 -0.26 0.02 0.00 -1.58 0.00 0.00 42.46 40.53 1auu s ILE 12 CO 0.00 0.02 0.82 -0.69 -1.23 0.00 0.00 174.94 173.86 1auu s VAL 13 N 0.43 4.63 0.41 2.92 1.01 0.17 -0.84 120.40 129.11 1auu s VAL 13 Ca -0.03 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.63 1auu s VAL 13 Cb -0.04 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1auu s VAL 13 CO -0.02 -0.68 0.29 0.68 0.00 0.00 0.00 175.10 175.37 1auu s VAL 14 N 3.36 2.58 0.04 2.92 -7.23 -0.40 0.61 120.40 122.28 1auu s VAL 14 Ca 0.32 -1.49 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1auu s VAL 14 Cb -0.12 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 1auu s VAL 14 CO 0.22 -0.02 0.07 -1.59 -0.31 0.00 0.00 175.10 173.48 1auu s LYS 15 N -4.03 0.58 0.23 4.82 -2.85 -0.53 0.29 119.74 118.25 1auu s LYS 15 Ca 0.45 -0.83 0.03 0.00 -1.00 0.00 0.00 55.97 54.62 1auu s LYS 15 Cb -0.01 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1auu s LYS 15 CO 0.26 -0.14 0.25 -3.47 0.10 0.00 0.00 175.35 172.34 1auu n ASP 16 N 0.68 -0.66 -0.24 0.03 2.03 -0.40 -2.55 116.55 115.44 1auu n ASP 16 Ca -0.18 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1auu n ASP 16 Cb 0.59 1.37 0.12 0.00 -0.72 0.00 0.00 41.12 42.48 1auu n ASP 16 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1auu h GLN 17 N 0.00 0.65 0.35 -0.67 7.50 -2.03 -2.71 115.11 118.21 1auu h GLN 17 Ca -0.17 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 58.92 1auu h GLN 17 Cb 0.81 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.20 1auu h GLN 17 CO 0.24 0.43 -0.17 -0.91 -1.50 0.00 0.00 178.83 176.92 1auu h ASN 18 N 0.67 -0.40 0.00 1.46 2.35 -2.05 -3.49 115.58 114.12 1auu h ASN 18 Ca 0.33 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1auu h ASN 18 Cb 0.28 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1auu h ASN 18 CO -0.22 -0.18 0.00 1.21 -1.65 0.00 0.00 177.43 176.58 1auu n GLU 19 N -5.24 -2.27 -2.59 0.81 4.07 -1.02 -5.15 120.64 109.25 1auu n GLU 19 Ca -0.10 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.65 1auu n GLU 19 Cb 0.24 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.58 1auu n GLU 19 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1auu s GLU 20 N -1.26 3.98 -0.10 5.31 2.12 -1.26 -1.27 118.70 126.22 1auu s GLU 20 Ca 0.00 1.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.64 1auu s GLU 20 Cb 0.00 -2.24 0.04 0.00 0.26 0.00 0.00 34.13 32.19 1auu s GLU 20 CO 0.00 -0.28 0.24 -1.59 -0.54 0.00 0.00 175.26 173.09 1auu s LYS 21 N -3.00 0.21 -0.12 4.30 -2.85 0.14 -4.25 119.74 114.18 1auu s LYS 21 Ca 0.64 0.48 -0.29 0.00 -1.00 0.00 0.00 55.97 55.80 1auu s LYS 21 Cb -0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 35.52 1auu s LYS 21 CO 0.21 -0.14 0.98 0.42 0.10 0.00 0.00 175.35 176.93 1auu s ILE 22 N 1.03 4.79 -0.18 3.79 -1.09 0.27 -1.28 121.20 128.52 1auu s ILE 22 Ca -0.07 1.99 -0.04 0.00 -2.23 0.00 0.00 60.65 60.29 1auu s ILE 22 Cb -0.09 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 1auu s ILE 22 CO -0.07 -0.01 -0.03 -0.76 -1.23 0.00 0.00 174.94 172.84 1auu s LEU 23 N 2.11 3.12 -0.29 2.97 1.02 -0.02 -0.33 118.68 127.25 1auu s LEU 23 Ca 0.47 -0.23 0.01 0.00 0.02 0.00 0.00 54.13 54.39 1auu s LEU 23 Cb -0.18 -1.77 0.06 0.00 0.02 0.00 0.00 46.19 44.33 1auu s LEU 23 CO 0.16 0.09 -0.03 -0.76 0.02 0.00 0.00 176.35 175.84 1auu s LEU 24 N 0.83 3.89 -0.06 1.79 1.43 -0.53 -0.58 118.68 125.44 1auu s LEU 24 Ca -0.01 -1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 51.61 1auu s LEU 24 Cb -0.15 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1auu s LEU 24 CO 0.02 -0.26 0.13 -0.83 0.23 0.00 0.00 176.35 175.64 1auu s GLY 25 N 1.19 0.02 -0.56 -3.19 0.00 0.15 -0.85 107.32 104.08 1auu s GLY 25 Ca -0.04 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 1auu s GLY 25 CO -0.04 1.17 2.43 0.00 0.00 0.00 0.00 173.10 176.66 1auu n ALA 26 N 4.58 0.80 -0.37 3.20 0.00 -1.26 0.35 120.51 127.80 1auu n ALA 26 Ca -0.19 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1auu n ALA 26 Cb 0.51 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 6.22 0.81 0.35 0.00 0.00 -1.19 -4.96 105.19 106.41 1auu n GLY 27 Ca 0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 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 1.24 -0.72 -0.61 2.10 0.02 -1.74 117.51 117.81 1auu h ILE 28 Ca 0.00 -0.63 -0.04 0.00 1.08 0.00 0.00 64.86 65.26 1auu h ILE 28 Cb 0.00 0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 35.88 1auu h ILE 28 CO 0.00 0.28 0.27 0.00 -1.08 0.00 0.00 178.15 177.62 1auu h ALA 29 N 1.33 1.13 -2.72 0.18 0.00 -1.50 -3.40 119.26 114.28 1auu h ALA 29 Ca 0.28 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.49 1auu h ALA 29 Cb 0.06 -0.28 0.06 0.00 0.00 0.00 0.00 17.79 17.63 1auu h ALA 29 CO -0.04 0.62 0.50 0.12 0.00 0.00 0.00 179.25 180.45 1auu s PHE 30 N -5.46 2.92 -0.87 0.00 5.36 -0.65 -2.85 117.98 116.42 1auu s PHE 30 Ca -0.11 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1auu s PHE 30 Cb 0.16 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1auu s PHE 30 CO 0.82 -1.52 0.00 -1.71 -1.46 0.00 0.00 175.22 171.36 1auu n ASN 31 N -0.29 -3.60 -3.62 6.13 2.85 -1.26 -4.97 115.26 110.49 1auu n ASN 31 Ca 0.06 0.10 -0.05 0.00 -0.11 0.00 0.00 54.58 54.58 1auu n ASN 31 Cb 0.47 -2.41 -0.02 0.00 1.24 0.00 0.00 39.78 39.06 1auu n ASN 31 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1auu s LYS 32 N -3.66 0.91 0.37 1.20 2.47 -1.13 -4.90 119.74 114.99 1auu s LYS 32 Ca 0.00 -0.43 -0.08 0.00 -1.56 0.00 0.00 55.97 53.90 1auu s LYS 32 Cb 0.00 0.36 0.03 0.00 -1.46 0.00 0.00 37.83 36.75 1auu s LYS 32 CO 0.00 -0.41 0.62 -1.59 0.16 0.00 0.00 175.35 174.13 1auu s LYS 33 N -3.09 2.07 0.33 4.03 -2.85 -1.26 -4.91 119.74 114.06 1auu s LYS 33 Ca 0.09 -1.62 -0.29 0.00 -1.00 0.00 0.00 55.97 53.14 1auu s LYS 33 Cb -0.01 0.53 -0.11 0.00 -2.06 0.00 0.00 37.83 36.18 1auu s LYS 33 CO -0.04 -0.91 1.56 0.21 0.10 0.00 0.00 175.35 176.27 1auu s LYS 34 N -2.69 4.11 0.00 1.78 2.20 -1.26 -1.68 119.74 122.19 1auu s LYS 34 Ca 0.24 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 1auu s LYS 34 Cb -0.03 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1auu s LYS 34 CO 0.17 -0.60 0.00 -1.71 -0.36 0.00 0.00 175.35 172.84 1auu n ASN 35 N 1.47 0.00 -4.87 1.43 4.05 -0.51 -4.89 115.26 111.94 1auu n ASN 35 Ca 0.05 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.78 1auu n ASN 35 Cb 0.38 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.37 1auu n ASN 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1auu s ASP 36 N -0.75 6.47 0.41 1.20 2.15 -0.68 -4.58 116.67 120.90 1auu s ASP 36 Ca 0.00 1.31 -0.23 0.00 0.43 0.00 0.00 52.55 54.06 1auu s ASP 36 Cb 0.00 -2.41 -0.09 0.00 -0.30 0.00 0.00 42.92 40.12 1auu s ASP 36 CO 0.00 -0.57 1.02 -0.63 -0.17 0.00 0.00 175.17 174.82 1auu s ILE 37 N -2.65 3.90 0.29 4.11 -1.09 -1.26 -0.81 121.20 123.70 1auu s ILE 37 Ca 0.54 1.38 -0.28 0.00 -2.23 0.00 0.00 60.65 60.06 1auu s ILE 37 Cb -0.10 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 37.01 1auu s ILE 37 CO 0.37 -0.07 1.01 0.54 -1.23 0.00 0.00 174.94 175.56 1auu s VAL 38 N -1.79 3.84 -0.01 2.92 0.11 0.14 -4.87 120.40 120.75 1auu s VAL 38 Ca 0.59 1.72 -0.30 0.00 -2.93 0.00 0.00 61.98 61.06 1auu s VAL 38 Cb -0.18 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.57 1auu s VAL 38 CO 0.23 0.31 1.31 -0.62 -3.33 0.00 0.00 175.10 173.00 1auu s ASP 39 N -1.22 6.94 0.19 3.54 2.15 -1.26 -4.80 116.67 122.21 1auu s ASP 39 Ca 0.46 2.01 -0.04 0.00 0.43 0.00 0.00 52.55 55.41 1auu s ASP 39 Cb -0.26 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 39.89 1auu s ASP 39 CO 0.33 -0.64 1.50 1.55 -0.17 0.00 0.00 175.17 177.73 1auu h PRO 40 N 7.55 0.60 0.00 4.34 0.13 -1.94 -1.87 132.00 140.81 1auu h PRO 40 Ca -0.37 -0.37 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 1auu h PRO 40 Cb 1.18 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1auu h PRO 40 CO 0.88 0.98 -0.08 1.03 -0.23 0.00 0.00 178.00 180.58 1auu h SER 41 N 0.47 0.00 1.04 1.44 0.87 -2.05 -1.25 113.55 114.06 1auu h SER 41 Ca 0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1auu h SER 41 Cb 1.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1auu h SER 41 CO 0.10 0.08 -1.02 0.11 -0.53 0.00 0.00 176.83 175.57 1auu h LYS 42 N 0.00 0.00 -5.93 2.24 1.79 -1.88 -3.45 116.57 109.34 1auu h LYS 42 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.86 1auu h LYS 42 Cb 0.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1auu h LYS 42 CO 0.01 0.41 1.49 -0.89 -1.08 0.00 0.00 179.45 179.39 1auu n ILE 43 N -3.05 0.24 -0.06 1.86 5.41 -0.48 -4.19 119.36 119.10 1auu n ILE 43 Ca -0.04 -0.42 -0.05 0.00 1.00 0.00 0.00 62.75 63.24 1auu n ILE 43 Cb 0.80 -2.23 -0.12 0.00 -0.71 0.00 0.00 39.64 37.38 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 8.59 1.38 -3.75 0.38 1.02 -1.01 -4.97 120.64 122.28 1auu n GLU 44 Ca 0.35 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.33 1auu n GLU 44 Cb 0.37 -1.39 -0.15 0.00 -0.02 0.00 0.00 31.44 30.26 1auu n GLU 44 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1auu s LYS 45 N -2.48 0.07 -0.33 3.49 1.02 -0.03 -4.97 119.74 116.51 1auu s LYS 45 Ca -0.07 0.34 -0.04 0.00 0.02 0.00 0.00 55.97 56.22 1auu s LYS 45 Cb 0.05 -0.19 0.05 0.00 -0.52 0.00 0.00 37.83 37.22 1auu s LYS 45 CO 0.63 -0.17 0.07 0.99 -0.92 0.00 0.00 175.35 175.94 1auu s THR 46 N 1.17 3.38 -0.07 2.17 2.01 -1.26 -1.46 115.64 121.58 1auu s THR 46 Ca -0.09 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.58 1auu s THR 46 Cb -0.12 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1auu s THR 46 CO -0.05 -0.19 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.28 1auu s PHE 47 N 1.31 3.01 0.00 4.92 0.40 0.55 -4.96 117.98 123.21 1auu s PHE 47 Ca -0.02 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1auu s PHE 47 Cb -0.20 -1.73 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 1auu s PHE 47 CO 0.00 0.38 0.01 0.42 0.70 0.00 0.00 175.22 176.73 1auu s ILE 48 N -0.86 0.04 -0.32 0.64 1.01 -1.26 0.94 121.20 121.39 1auu s ILE 48 Ca 0.13 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1auu s ILE 48 Cb -0.11 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.17 1auu s ILE 48 CO 0.02 -0.17 2.27 0.54 0.00 0.00 0.00 174.94 177.61 1auu n ARG 49 N 2.56 1.57 -3.40 2.79 1.74 -1.26 -4.92 116.66 115.73 1auu n ARG 49 Ca -0.16 0.37 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 1auu n ARG 49 Cb 0.58 -3.10 -0.08 0.00 -1.02 0.00 0.00 32.46 28.84 1auu n ARG 49 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1auu s LYS 50 N 6.80 4.17 -0.03 5.56 2.36 -1.26 -4.95 119.74 132.38 1auu s LYS 50 Ca 1.03 0.18 -0.07 0.00 -2.55 0.00 0.00 55.97 54.56 1auu s LYS 50 Cb -0.42 -3.54 -0.03 0.00 -1.05 0.00 0.00 37.83 32.80 1auu s LYS 50 CO 0.36 -0.03 -0.14 -3.47 1.55 0.00 0.00 175.35 173.61 1auu n ASP 51 N 4.46 1.33 -3.74 1.43 2.03 -1.26 -5.04 116.55 115.76 1auu n ASP 51 Ca -0.09 0.20 -0.16 0.00 0.52 0.00 0.00 54.79 55.27 1auu n ASP 51 Cb 0.51 -0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 40.28 1auu n ASP 51 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1auu s THR 52 N -2.34 -0.08 0.00 5.18 -4.23 -1.26 -5.08 115.64 107.83 1auu s THR 52 Ca -0.13 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1auu s THR 52 Cb 0.02 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 73.72 1auu s THR 52 CO 0.18 0.10 0.05 -0.81 -0.54 0.00 0.00 174.62 173.61 1auu n PRO 53 N 4.43 0.00 0.12 3.99 -0.04 -1.26 -4.54 135.00 137.70 1auu n PRO 53 Ca -0.22 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.24 1auu n PRO 53 Cb 0.50 -0.52 -0.01 0.00 -0.04 0.00 0.00 33.50 33.44 1auu n PRO 53 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1auu h ASP 54 N 0.00 0.00 0.00 3.54 5.19 -2.07 -3.56 116.42 119.52 1auu h ASP 54 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1auu h ASP 54 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1auu h ASP 54 CO 0.00 0.60 0.00 -1.22 -3.12 0.00 0.00 179.24 175.50