#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 -0.50 0.03 1.02 -0.70 -4.34 119.74 117.04 1auu s LYS 2 Ca 0.00 -1.79 -0.18 0.00 0.02 0.00 0.00 55.97 54.02 1auu s LYS 2 Cb 0.00 0.40 0.06 0.00 -0.52 0.00 0.00 37.83 37.77 1auu s LYS 2 CO 0.00 -0.71 0.59 0.42 -0.92 0.00 0.00 175.35 174.72 1auu s ILE 3 N -3.30 4.94 -0.13 2.17 1.09 -1.26 -2.16 121.20 122.55 1auu s ILE 3 Ca 0.33 -0.60 -0.12 0.00 -1.10 0.00 0.00 60.65 59.16 1auu s ILE 3 Cb 0.01 -4.27 -0.25 0.00 -1.06 0.00 0.00 42.46 36.89 1auu s ILE 3 CO 0.21 -0.77 0.38 0.50 -0.10 0.00 0.00 174.94 175.16 1auu h LYS 4 N 8.95 0.21 -4.12 2.79 3.64 -0.94 -3.35 116.57 123.76 1auu h LYS 4 Ca -0.28 -0.36 -0.19 0.00 -1.27 0.00 0.00 60.65 58.55 1auu h LYS 4 Cb 1.10 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 1auu h LYS 4 CO 0.95 1.17 -0.30 1.03 -2.27 0.00 0.00 179.45 180.03 1auu s ARG 5 N -2.50 1.56 -0.13 1.90 0.52 0.32 -4.97 118.95 115.65 1auu s ARG 5 Ca -0.23 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.44 1auu s ARG 5 Cb 0.06 0.40 0.02 0.00 0.52 0.00 0.00 34.95 35.95 1auu s ARG 5 CO 0.74 -0.61 -0.11 0.42 0.02 0.00 0.00 175.30 175.75 1auu s ILE 6 N -3.76 1.32 -0.16 1.52 1.01 -1.26 -1.59 121.20 118.27 1auu s ILE 6 Ca 0.30 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 1auu s ILE 6 Cb 0.02 -1.27 -0.23 0.00 0.01 0.00 0.00 42.46 40.99 1auu s ILE 6 CO 0.14 0.42 0.39 -0.07 0.00 0.00 0.00 174.94 175.82 1auu h LEU 7 N 8.04 0.13 0.00 2.97 3.38 -1.44 -3.47 115.31 124.92 1auu h LEU 7 Ca -0.34 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.93 1auu h LEU 7 Cb 1.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1auu h LEU 7 CO 0.47 1.49 0.00 -0.46 0.09 0.00 0.00 178.44 180.04 1auu n ASN 8 N -4.24 0.00 0.00 -0.43 0.23 -0.05 -4.92 115.26 105.85 1auu n ASN 8 Ca -0.27 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 53.89 1auu n ASN 8 Cb 0.74 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.96 1auu n ASN 8 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1auu n HIS 9 N 0.00 0.00 0.00 -2.53 -0.00 -1.26 -3.92 115.22 107.51 1auu n HIS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1auu n HIS 9 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.57 1auu n HIS 9 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1auu n ASN 10 N -1.42 3.25 -4.82 0.26 3.02 -1.26 -0.74 115.26 113.55 1auu n ASN 10 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.26 1auu n ASN 10 Cb 0.23 0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.68 3.71 -0.14 5.41 0.00 -1.25 -0.28 121.76 127.52 1auu s ALA 11 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 1auu s ALA 11 Cb 0.00 -1.81 0.05 0.00 0.00 0.00 0.00 23.12 21.36 1auu s ALA 11 CO 0.00 0.62 0.48 0.42 0.00 0.00 0.00 175.76 177.28 1auu s ILE 12 N -1.02 0.01 -0.38 0.00 1.09 -0.16 -0.87 121.20 119.89 1auu s ILE 12 Ca 0.16 -0.09 -0.23 0.00 -1.10 0.00 0.00 60.65 59.39 1auu s ILE 12 Cb -0.12 -0.71 0.01 0.00 -1.06 0.00 0.00 42.46 40.58 1auu s ILE 12 CO 0.05 -0.05 0.79 -0.69 -0.10 0.00 0.00 174.94 174.94 1auu s VAL 13 N -0.20 4.71 0.48 2.92 1.01 -0.62 -0.34 120.40 128.36 1auu s VAL 13 Ca -0.04 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1auu s VAL 13 Cb -0.03 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1auu s VAL 13 CO 0.02 -0.48 0.51 0.68 0.00 0.00 0.00 175.10 175.84 1auu s VAL 14 N 3.15 2.42 -0.03 2.92 -7.23 0.17 -0.29 120.40 121.50 1auu s VAL 14 Ca 0.32 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1auu s VAL 14 Cb -0.13 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.20 1auu s VAL 14 CO 0.18 0.00 0.04 -1.59 -0.31 0.00 0.00 175.10 173.42 1auu s LYS 15 N -4.32 0.03 0.34 4.82 -2.85 -0.92 -0.27 119.74 116.57 1auu s LYS 15 Ca 0.50 0.26 0.09 0.00 -1.00 0.00 0.00 55.97 55.82 1auu s LYS 15 Cb -0.05 -0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 35.21 1auu s LYS 15 CO 0.30 -0.25 0.09 0.34 0.10 0.00 0.00 175.35 175.93 1auu s ASP 16 N 1.67 4.49 0.29 0.03 2.15 0.21 -1.72 116.67 123.78 1auu s ASP 16 Ca -0.01 -0.86 0.03 0.00 0.43 0.00 0.00 52.55 52.14 1auu s ASP 16 Cb -0.13 -0.66 0.66 0.00 -0.30 0.00 0.00 42.92 42.50 1auu s ASP 16 CO -0.03 -0.27 1.76 1.56 -0.17 0.00 0.00 175.17 178.01 1auu h GLN 17 N 1.65 0.63 0.12 4.34 7.50 -2.01 -1.57 115.11 125.77 1auu h GLN 17 Ca -0.43 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 58.67 1auu h GLN 17 Cb 1.25 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.64 1auu h GLN 17 CO 0.65 0.42 -0.06 -0.91 -1.50 0.00 0.00 178.83 177.42 1auu h ASN 18 N 0.65 -0.14 0.00 1.46 2.35 -2.05 -3.49 115.58 114.36 1auu h ASN 18 Ca 0.53 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1auu h ASN 18 Cb 0.84 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1auu h ASN 18 CO -0.40 0.07 0.00 -1.84 -1.65 0.00 0.00 177.43 173.61 1auu n GLU 19 N -5.07 -1.16 -2.40 0.81 0.28 -0.59 -5.14 120.64 107.36 1auu n GLU 19 Ca -0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.53 1auu n GLU 19 Cb 0.16 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.00 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 -0.17 4.30 0.36 3.44 2.12 -1.26 -0.62 118.70 126.86 1auu s GLU 20 Ca 0.00 1.78 0.04 0.00 0.36 0.00 0.00 54.97 57.15 1auu s GLU 20 Cb 0.00 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 1auu s GLU 20 CO 0.00 -0.09 0.14 0.15 -0.54 0.00 0.00 175.26 174.92 1auu s LYS 21 N -2.02 1.77 -0.06 4.30 1.02 0.63 -3.78 119.74 121.60 1auu s LYS 21 Ca 0.52 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1auu s LYS 21 Cb -0.30 -0.38 0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1auu s LYS 21 CO 0.38 -0.46 -0.04 0.42 -0.92 0.00 0.00 175.35 174.74 1auu s ILE 22 N -3.37 0.59 -0.31 2.17 -1.09 0.23 -0.66 121.20 118.75 1auu s ILE 22 Ca 0.30 -0.09 -0.09 0.00 -2.23 0.00 0.00 60.65 58.54 1auu s ILE 22 Cb 0.04 -0.65 -0.00 0.00 -1.58 0.00 0.00 42.46 40.26 1auu s ILE 22 CO 0.17 0.27 0.15 -0.22 -1.23 0.00 0.00 174.94 174.07 1auu s LEU 23 N 1.36 4.13 -0.44 2.97 1.98 0.53 -0.30 118.68 128.92 1auu s LEU 23 Ca -0.04 -0.56 -0.02 0.00 -2.89 0.00 0.00 54.13 50.63 1auu s LEU 23 Cb -0.13 -2.00 0.12 0.00 0.66 0.00 0.00 46.19 44.84 1auu s LEU 23 CO -0.03 -0.21 0.22 -0.76 -1.89 0.00 0.00 176.35 173.69 1auu s LEU 24 N 1.60 5.14 -0.05 -0.68 1.43 0.07 -0.98 118.68 125.21 1auu s LEU 24 Ca 0.04 -2.22 -0.02 0.00 -1.03 0.00 0.00 54.13 50.90 1auu s LEU 24 Cb -0.17 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1auu s LEU 24 CO 0.06 -0.48 0.09 -0.83 0.23 0.00 0.00 176.35 175.42 1auu s GLY 25 N 1.42 0.09 -0.47 -3.19 0.00 0.61 -1.12 107.32 104.66 1auu s GLY 25 Ca 0.10 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 1auu s GLY 25 CO -0.04 1.10 2.37 0.00 0.00 0.00 0.00 173.10 176.53 1auu n ALA 26 N 4.66 0.99 0.00 3.20 0.00 -1.26 0.69 120.51 128.78 1auu n ALA 26 Ca -0.18 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1auu n ALA 26 Cb 0.50 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 6.14 1.02 0.21 0.00 0.00 -1.17 -4.99 105.19 106.40 1auu n GLY 27 Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 1auu n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1auu h ILE 28 N 0.00 1.05 -0.95 -0.61 1.08 0.79 -0.93 117.51 117.94 1auu h ILE 28 Ca 0.00 -0.21 0.12 0.00 -0.39 0.00 0.00 64.86 64.38 1auu h ILE 28 Cb 0.00 0.39 -0.08 0.00 -3.07 0.00 0.00 36.82 34.07 1auu h ILE 28 CO 0.00 0.11 0.61 0.00 -0.69 0.00 0.00 178.15 178.18 1auu h ALA 29 N 1.23 1.61 -2.68 1.87 0.00 -1.17 -3.37 119.26 116.75 1auu h ALA 29 Ca 0.21 0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.60 1auu h ALA 29 Cb 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1auu h ALA 29 CO -0.10 0.16 0.66 0.12 0.00 0.00 0.00 179.25 180.10 1auu s PHE 30 N -5.86 3.23 -0.58 0.00 5.36 -0.36 -2.65 117.98 117.13 1auu s PHE 30 Ca -0.11 1.19 -0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1auu s PHE 30 Cb 0.22 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 1auu s PHE 30 CO 0.80 -1.98 0.45 -1.71 -1.46 0.00 0.00 175.22 171.32 1auu n ASN 31 N 2.65 -3.76 -3.50 6.13 2.85 -1.26 -4.97 115.26 113.39 1auu n ASN 31 Ca 0.06 -0.21 -0.14 0.00 -0.11 0.00 0.00 54.58 54.19 1auu n ASN 31 Cb 0.42 -2.39 -0.04 0.00 1.24 0.00 0.00 39.78 39.02 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 -5.45 1.15 0.26 1.20 1.02 -1.08 -4.47 119.74 112.37 1auu s LYS 32 Ca 0.22 -0.28 -0.22 0.00 0.02 0.00 0.00 55.97 55.72 1auu s LYS 32 Cb -0.10 0.53 0.03 0.00 -0.52 0.00 0.00 37.83 37.77 1auu s LYS 32 CO 0.28 -0.45 0.75 0.21 -0.92 0.00 0.00 175.35 175.21 1auu s LYS 33 N -2.89 1.71 0.13 1.68 2.20 -1.26 -4.98 119.74 116.33 1auu s LYS 33 Ca -0.03 -0.94 -0.31 0.00 -0.36 0.00 0.00 55.97 54.33 1auu s LYS 33 Cb -0.00 0.58 -0.09 0.00 -1.51 0.00 0.00 37.83 36.81 1auu s LYS 33 CO -0.05 -0.78 1.63 0.21 -0.36 0.00 0.00 175.35 176.00 1auu s LYS 34 N -3.84 4.20 -0.11 4.03 2.36 -1.26 -1.37 119.74 123.75 1auu s LYS 34 Ca 0.11 2.38 0.00 0.00 -2.55 0.00 0.00 55.97 55.91 1auu s LYS 34 Cb -0.05 -3.36 0.00 0.00 -1.05 0.00 0.00 37.83 33.36 1auu s LYS 34 CO 0.06 -0.68 0.00 -1.71 1.55 0.00 0.00 175.35 174.57 1auu n ASN 35 N 4.75 -4.19 -0.92 1.43 5.15 -1.26 -4.85 115.26 115.37 1auu n ASN 35 Ca 0.15 0.03 0.11 0.00 -0.60 0.00 0.00 54.58 54.26 1auu n ASN 35 Cb 0.39 -1.78 0.12 0.00 -0.53 0.00 0.00 39.78 37.98 1auu n ASN 35 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1auu n ASP 36 N -0.28 2.94 -1.01 1.20 9.92 -0.47 -4.92 116.55 123.92 1auu n ASP 36 Ca -0.01 -1.91 0.04 0.00 -0.53 0.00 0.00 54.79 52.38 1auu n ASP 36 Cb 0.21 -0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 1auu n ASP 36 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1auu n ILE 37 N 1.25 -1.44 -2.88 0.53 5.41 -1.26 -4.78 119.36 116.18 1auu n ILE 37 Ca 0.14 0.84 -0.40 0.00 1.00 0.00 0.00 62.75 64.33 1auu n ILE 37 Cb 0.55 -1.36 -0.05 0.00 -0.71 0.00 0.00 39.64 38.06 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 -4.54 4.53 0.06 1.39 0.11 -1.26 -4.58 120.40 116.10 1auu s VAL 38 Ca 0.00 1.82 -0.31 0.00 -2.93 0.00 0.00 61.98 60.56 1auu s VAL 38 Cb 0.00 -4.20 -0.06 0.00 -1.53 0.00 0.00 36.38 30.59 1auu s VAL 38 CO 0.00 0.39 1.29 -0.62 -3.33 0.00 0.00 175.10 172.83 1auu s ASP 39 N -0.35 6.96 0.20 3.54 2.15 -1.26 -4.92 116.67 122.99 1auu s ASP 39 Ca 0.41 2.11 -0.03 0.00 0.43 0.00 0.00 52.55 55.47 1auu s ASP 39 Cb -0.22 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 39.96 1auu s ASP 39 CO 0.26 -0.57 1.53 1.55 -0.17 0.00 0.00 175.17 177.77 1auu h PRO 40 N 7.01 0.56 0.00 4.34 0.13 -1.95 -1.76 132.00 140.34 1auu h PRO 40 Ca -0.41 -0.33 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 1auu h PRO 40 Cb 1.20 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1auu h PRO 40 CO 0.85 0.94 -0.09 1.03 -0.23 0.00 0.00 178.00 180.49 1auu h SER 41 N 0.44 0.00 0.90 1.44 0.87 -2.02 -1.54 113.55 113.64 1auu h SER 41 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1auu h SER 41 Cb 1.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1auu h SER 41 CO 0.10 0.09 -1.11 0.29 -0.53 0.00 0.00 176.83 175.67 1auu n LYS 42 N -3.89 0.61 -1.59 2.24 4.76 -1.04 -4.85 118.16 114.39 1auu n LYS 42 Ca -0.02 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 55.10 1auu n LYS 42 Cb 0.19 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.54 1auu n LYS 42 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1auu n ILE 43 N -2.65 0.28 -0.09 -0.18 5.41 -0.58 -4.42 119.36 117.13 1auu n ILE 43 Ca -0.01 -0.51 -0.10 0.00 1.00 0.00 0.00 62.75 63.14 1auu n ILE 43 Cb 0.57 -2.58 -0.13 0.00 -0.71 0.00 0.00 39.64 36.78 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 8.79 1.09 -3.67 0.38 1.02 -1.23 -4.95 120.64 122.07 1auu n GLU 44 Ca 0.31 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.34 1auu n GLU 44 Cb 0.46 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.42 0.19 -0.25 3.49 -0.14 -0.28 -4.96 119.74 115.37 1auu s LYS 45 Ca -0.12 0.78 -0.08 0.00 -1.36 0.00 0.00 55.97 55.18 1auu s LYS 45 Cb 0.05 0.02 -0.04 0.00 -1.68 0.00 0.00 37.83 36.18 1auu s LYS 45 CO 0.67 -0.26 0.11 0.99 -0.76 0.00 0.00 175.35 176.10 1auu s THR 46 N 2.30 4.71 0.06 2.17 2.01 -1.26 -0.75 115.64 124.88 1auu s THR 46 Ca -0.01 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1auu s THR 46 Cb -0.12 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1auu s THR 46 CO -0.09 0.33 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.66 1auu s PHE 47 N 1.43 2.63 -0.03 4.92 0.40 0.59 -4.93 117.98 122.99 1auu s PHE 47 Ca 0.06 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1auu s PHE 47 Cb -0.15 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 41.95 1auu s PHE 47 CO 0.05 0.33 -0.04 0.42 0.70 0.00 0.00 175.22 176.69 1auu s ILE 48 N -1.03 0.43 0.00 0.64 1.01 -1.26 0.75 121.20 121.74 1auu s ILE 48 Ca 0.17 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1auu s ILE 48 Cb -0.11 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 1auu s ILE 48 CO 0.08 0.19 1.23 0.00 0.00 0.00 0.00 174.94 176.44 1auu s ARG 49 N 0.76 4.37 -0.18 2.79 1.70 -1.25 -4.94 118.95 122.21 1auu s ARG 49 Ca -0.09 1.76 -0.29 0.00 -0.47 0.00 0.00 55.73 56.64 1auu s ARG 49 Cb -0.12 -3.47 -0.05 0.00 -0.57 0.00 0.00 34.95 30.74 1auu s ARG 49 CO -0.00 -0.39 2.04 0.21 -1.08 0.00 0.00 175.30 176.08 1auu s LYS 50 N 1.75 3.45 -0.01 3.89 2.36 -1.26 -4.88 119.74 125.03 1auu s LYS 50 Ca 0.58 2.04 -0.18 0.00 -2.55 0.00 0.00 55.97 55.86 1auu s LYS 50 Cb -0.28 -4.27 -0.10 0.00 -1.05 0.00 0.00 37.83 32.13 1auu s LYS 50 CO 0.26 -1.74 0.80 0.22 1.55 0.00 0.00 175.35 176.44 1auu h ASP 51 N 13.33 -0.56 -3.46 1.43 3.58 -2.00 -3.48 116.42 125.27 1auu h ASP 51 Ca -0.41 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.12 1auu h ASP 51 Cb 1.22 0.14 -0.25 0.00 1.72 0.00 0.00 39.33 42.16 1auu h ASP 51 CO 0.97 -0.18 0.47 0.28 -2.88 0.00 0.00 179.24 177.90 1auu s THR 52 N -3.73 0.00 0.00 2.25 -1.32 -1.26 -5.13 115.64 106.44 1auu s THR 52 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1auu s THR 52 Cb 0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1auu s THR 52 CO 0.29 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.89 1auu n PRO 53 N 1.81 0.00 -0.50 7.08 -0.04 -1.26 -4.85 135.00 137.24 1auu n PRO 53 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1auu n PRO 53 Cb 0.56 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1auu n PRO 53 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1auu n ASP 54 N 0.00 0.00 -0.18 3.54 -0.08 -1.26 -5.30 116.55 113.28 1auu n ASP 54 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 1auu n ASP 54 Cb 0.00 -1.35 0.79 0.00 2.34 0.00 0.00 41.12 42.90 1auu n ASP 54 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10