#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u79 s GLU 6 N 0.00 3.44 0.54 0.00 2.02 -1.26 -5.01 118.70 118.43 1u79 s GLU 6 Ca 0.00 -0.01 -0.21 0.00 0.02 0.00 0.00 54.97 54.77 1u79 s GLU 6 Cb 0.00 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 1u79 s GLU 6 CO 0.00 -1.40 1.26 -0.06 0.02 0.00 0.00 175.26 175.08 1u79 s PHE 7 N 4.00 2.45 -0.22 1.61 2.99 -1.26 -4.83 117.98 122.72 1u79 s PHE 7 Ca 0.35 1.46 -0.07 0.00 0.00 0.00 0.00 56.93 58.68 1u79 s PHE 7 Cb -0.11 -3.59 -0.03 0.00 0.00 0.00 0.00 43.02 39.29 1u79 s PHE 7 CO 0.23 -2.34 0.05 0.45 -0.00 0.00 0.00 175.22 173.61 1u79 s SER 8 N -1.28 5.21 -0.25 1.36 0.15 -0.34 -4.90 113.70 113.66 1u79 s SER 8 Ca 0.72 -0.12 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 1u79 s SER 8 Cb -0.34 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1u79 s SER 8 CO 0.39 0.05 0.14 -0.69 1.20 0.00 0.00 173.24 174.33 1u79 s VAL 9 N 1.10 5.03 0.80 4.45 1.01 -1.26 -1.55 120.40 129.98 1u79 s VAL 9 Ca 0.04 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1u79 s VAL 9 Cb -0.14 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1u79 s VAL 9 CO 0.03 0.32 1.16 -0.94 0.00 0.00 0.00 175.10 175.67 1u79 s SER 10 N 1.38 4.53 0.57 3.32 1.04 -0.55 -4.91 113.70 119.07 1u79 s SER 10 Ca 0.06 0.73 0.28 0.00 0.48 0.00 0.00 55.95 57.51 1u79 s SER 10 Cb -0.15 -1.24 1.51 0.00 0.10 0.00 0.00 66.02 66.24 1u79 s SER 10 CO 0.06 -1.88 1.99 -0.65 0.98 0.00 0.00 173.24 173.74 1u79 h PRO 11 N -1.01 0.00 -0.00 4.02 0.11 -1.88 -1.53 132.00 131.72 1u79 h PRO 11 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u79 h PRO 11 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1u79 h PRO 11 CO 0.65 0.00 -0.26 -1.13 -0.21 0.00 0.00 178.00 177.05 1u79 n SER 12 N -3.94 0.38 0.00 -2.05 3.41 -1.26 -4.92 113.62 105.24 1u79 n SER 12 Ca 0.07 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1u79 n SER 12 Cb 0.55 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1u79 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u79 n GLY 13 N 1.45 3.41 3.67 5.00 0.00 -0.57 -4.94 105.19 113.20 1u79 n GLY 13 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1u79 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u79 s LEU 14 N 0.00 4.34 0.22 0.99 2.96 -1.26 -4.57 118.68 121.36 1u79 s LEU 14 Ca 0.00 2.34 0.10 0.00 -0.22 0.00 0.00 54.13 56.35 1u79 s LEU 14 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1u79 s LEU 14 CO 0.00 -0.90 -0.14 0.00 -1.32 0.00 0.00 176.35 173.99 1u79 s ALA 15 N 3.48 2.84 0.17 5.97 0.00 -0.54 -1.48 121.76 132.20 1u79 s ALA 15 Ca 0.74 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1u79 s ALA 15 Cb -0.36 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1u79 s ALA 15 CO 0.31 0.38 0.46 -0.59 0.00 0.00 0.00 175.76 176.32 1u79 s PHE 16 N -1.99 -0.09 -0.14 0.00 -0.12 -0.59 -1.27 117.98 113.77 1u79 s PHE 16 Ca 0.26 -0.24 -0.06 0.00 -0.05 0.00 0.00 56.93 56.84 1u79 s PHE 16 Cb -0.07 0.31 0.07 0.00 -0.63 0.00 0.00 43.02 42.69 1u79 s PHE 16 CO 0.15 -0.83 0.31 0.00 -0.05 0.00 0.00 175.22 174.79 1u79 s ASP 18 N 2.12 6.17 0.22 0.00 1.01 -1.26 -1.35 116.67 123.58 1u79 s ASP 18 Ca -0.03 -0.87 -0.05 0.00 0.71 0.00 0.00 52.55 52.31 1u79 s ASP 18 Cb -0.11 -2.45 0.20 0.00 1.01 0.00 0.00 42.92 41.56 1u79 s ASP 18 CO -0.10 -1.54 1.69 0.11 0.21 0.00 0.00 175.17 175.55 1u79 h LYS 19 N 9.67 0.91 -2.91 8.23 1.57 -1.70 -3.41 116.57 128.93 1u79 h LYS 19 Ca -0.28 -0.28 -0.31 0.00 -1.87 0.00 0.00 60.65 57.91 1u79 h LYS 19 Cb 1.06 -0.09 -0.36 0.00 0.08 0.00 0.00 32.23 32.93 1u79 h LYS 19 CO 1.21 0.93 -0.64 0.08 -0.57 0.00 0.00 179.45 180.46 1u79 s VAL 20 N -4.94 -0.27 0.27 0.50 1.01 -0.91 -4.98 120.40 111.08 1u79 s VAL 20 Ca -0.10 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1u79 s VAL 20 Cb 0.14 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.99 1u79 s VAL 20 CO 0.84 0.01 1.15 -0.69 0.00 0.00 0.00 175.10 176.40 1u79 s VAL 21 N 2.30 3.37 1.03 2.92 1.01 -1.26 -0.12 120.40 129.65 1u79 s VAL 21 Ca 0.04 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1u79 s VAL 21 Cb -0.13 -3.86 0.21 0.00 0.00 0.00 0.00 36.38 32.60 1u79 s VAL 21 CO -0.08 0.31 1.07 -0.83 0.00 0.00 0.00 175.10 175.57 1u79 s GLY 22 N -0.66 1.59 0.00 4.51 0.00 -1.26 -4.63 107.32 106.87 1u79 s GLY 22 Ca 0.46 0.02 0.12 0.00 0.00 0.00 0.00 44.72 45.32 1u79 s GLY 22 CO 0.42 0.61 0.69 1.58 0.00 0.00 0.00 173.10 176.41 1u79 n TYR 23 N -4.47 0.00 -2.16 1.90 4.11 0.13 -4.84 117.16 111.82 1u79 n TYR 23 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 1u79 n TYR 23 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 1u79 n TYR 23 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1u79 n GLY 24 N 0.97 4.59 3.87 -7.48 0.00 -0.18 -4.97 105.19 101.99 1u79 n GLY 24 Ca 0.05 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1u79 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u79 s PRO 25 N 2.29 3.57 0.70 1.61 0.04 -1.26 -4.16 135.00 137.78 1u79 s PRO 25 Ca 0.00 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 1u79 s PRO 25 Cb 0.00 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1u79 s PRO 25 CO 0.00 -0.58 1.08 -1.83 0.04 0.00 0.00 177.00 175.71 1u79 s GLU 26 N -5.18 2.74 0.62 4.56 -1.05 -1.26 -1.05 118.70 118.08 1u79 s GLU 26 Ca 0.55 1.16 -0.19 0.00 -0.15 0.00 0.00 54.97 56.34 1u79 s GLU 26 Cb -0.11 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.60 1u79 s GLU 26 CO 0.54 -1.27 1.30 0.00 0.95 0.00 0.00 175.26 176.77 1u79 s ALA 27 N -2.76 2.48 -0.15 -0.84 0.00 -0.96 -4.87 121.76 114.67 1u79 s ALA 27 Ca 0.62 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.81 1u79 s ALA 27 Cb -0.17 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1u79 s ALA 27 CO 0.50 -1.50 -0.21 0.08 0.00 0.00 0.00 175.76 174.62 1u79 s VAL 28 N -1.40 2.09 0.12 0.00 1.01 -1.26 -4.96 120.40 116.00 1u79 s VAL 28 Ca 0.80 -0.96 -0.35 0.00 0.00 0.00 0.00 61.98 61.46 1u79 s VAL 28 Cb -0.37 -1.84 -0.16 0.00 0.00 0.00 0.00 36.38 34.01 1u79 s VAL 28 CO 0.40 0.55 1.38 1.17 0.00 0.00 0.00 175.10 178.60 1u79 n LYS 29 N 4.17 1.42 -0.11 2.72 4.81 -1.26 -1.64 118.16 128.28 1u79 n LYS 29 Ca -0.20 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1u79 n LYS 29 Cb 0.51 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1u79 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u79 n GLY 30 N 2.65 1.94 3.80 3.14 0.00 0.13 -5.01 105.19 111.83 1u79 n GLY 30 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1u79 n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u79 s GLN 31 N -0.29 4.13 -0.30 1.61 0.74 -0.65 -4.71 119.66 120.19 1u79 s GLN 31 Ca 0.00 1.34 -0.25 0.00 0.05 0.00 0.00 55.36 56.51 1u79 s GLN 31 Cb 0.00 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.76 1u79 s GLN 31 CO 0.00 -0.14 0.85 -1.17 -0.55 0.00 0.00 175.29 174.27 1u79 s LEU 32 N -2.95 4.06 0.42 3.68 2.96 -1.26 -1.82 118.68 123.77 1u79 s LEU 32 Ca 0.61 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 55.32 1u79 s LEU 32 Cb -0.17 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 1u79 s LEU 32 CO 0.21 -0.66 0.03 0.27 -1.32 0.00 0.00 176.35 174.88 1u79 s ILE 33 N 3.08 1.40 0.03 6.68 -4.36 0.10 -0.88 121.20 127.25 1u79 s ILE 33 Ca 0.35 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 1u79 s ILE 33 Cb -0.14 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 1u79 s ILE 33 CO 0.13 0.00 -0.19 -0.54 0.24 0.00 0.00 174.94 174.58 1u79 s LYS 34 N -3.80 1.31 -0.19 0.37 1.02 -0.85 -1.44 119.74 116.17 1u79 s LYS 34 Ca 0.26 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.26 1u79 s LYS 34 Cb 0.06 -1.36 0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1u79 s LYS 34 CO 0.13 0.35 0.50 0.00 -0.92 0.00 0.00 175.35 175.41 1u79 s ALA 35 N -0.71 -1.24 0.19 5.17 0.00 -0.53 -1.64 121.76 123.00 1u79 s ALA 35 Ca 0.06 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1u79 s ALA 35 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1u79 s ALA 35 CO 0.01 -0.24 0.34 -1.01 0.00 0.00 0.00 175.76 174.86 1u79 s HIS 36 N 0.35 3.48 0.04 0.00 3.76 -0.53 -0.71 115.29 121.67 1u79 s HIS 36 Ca -0.01 0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.80 1u79 s HIS 36 Cb -0.04 -1.72 0.09 0.00 1.11 0.00 0.00 32.58 32.02 1u79 s HIS 36 CO -0.00 0.45 0.89 1.52 -0.85 0.00 0.00 174.74 176.74 1u79 s TYR 37 N -1.84 -0.31 -0.04 1.40 1.13 -1.26 -0.99 117.35 115.45 1u79 s TYR 37 Ca 0.36 0.13 0.01 0.00 -1.41 0.00 0.00 57.07 56.15 1u79 s TYR 37 Cb -0.11 0.56 0.02 0.00 -1.10 0.00 0.00 41.96 41.34 1u79 s TYR 37 CO 0.29 -0.63 -0.02 0.08 -2.51 0.00 0.00 175.55 172.76 1u79 s VAL 38 N -3.20 0.36 -0.12 -3.49 1.01 -0.92 -1.15 120.40 112.89 1u79 s VAL 38 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1u79 s VAL 38 Cb -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1u79 s VAL 38 CO -0.07 0.19 -0.07 -0.83 0.00 0.00 0.00 175.10 174.32 1u79 s GLY 39 N 0.98 1.66 0.10 4.51 0.00 0.56 -1.55 107.32 113.58 1u79 s GLY 39 Ca -0.10 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1u79 s GLY 39 CO -0.01 -0.30 -0.11 0.54 0.00 0.00 0.00 173.10 173.23 1u79 s LYS 40 N -0.03 0.86 0.51 2.90 1.02 0.11 -1.31 119.74 123.81 1u79 s LYS 40 Ca -0.00 -1.16 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 1u79 s LYS 40 Cb -0.14 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1u79 s LYS 40 CO 0.03 0.09 0.76 -0.51 -0.92 0.00 0.00 175.35 174.80 1u79 s LEU 41 N -2.42 3.44 0.23 3.17 1.43 -0.23 -0.76 118.68 123.54 1u79 s LEU 41 Ca 0.05 0.32 0.18 0.00 -1.03 0.00 0.00 54.13 53.65 1u79 s LEU 41 Cb -0.03 -3.18 0.89 0.00 0.03 0.00 0.00 46.19 43.90 1u79 s LEU 41 CO 0.00 -0.92 1.55 -0.62 0.23 0.00 0.00 176.35 176.59 1u79 n GLU 42 N -2.29 0.12 -0.01 1.70 -0.58 -1.26 -0.55 120.64 117.78 1u79 n GLU 42 Ca 0.04 0.54 0.14 0.00 -0.42 0.00 0.00 57.16 57.45 1u79 n GLU 42 Cb 0.58 -1.83 0.54 0.00 -0.57 0.00 0.00 31.44 30.16 1u79 n GLU 42 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1u79 n ASN 43 N -2.07 1.42 0.00 1.62 6.94 -1.26 -4.92 115.26 116.98 1u79 n ASN 43 Ca 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 53.07 1u79 n ASN 43 Cb 0.09 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1u79 n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u79 n GLY 44 N 1.16 0.73 3.70 4.83 0.00 0.29 -5.05 105.19 110.86 1u79 n GLY 44 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1u79 n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u79 s LYS 45 N -0.75 4.32 -0.09 1.61 2.20 -1.26 -4.70 119.74 121.07 1u79 s LYS 45 Ca 0.00 1.99 -0.28 0.00 -0.36 0.00 0.00 55.97 57.31 1u79 s LYS 45 Cb 0.00 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1u79 s LYS 45 CO 0.00 -0.47 0.94 0.08 -0.36 0.00 0.00 175.35 175.53 1u79 s VAL 46 N 1.67 4.85 -0.62 4.02 1.01 -1.26 -1.07 120.40 129.00 1u79 s VAL 46 Ca 0.64 1.91 0.12 0.00 0.00 0.00 0.00 61.98 64.65 1u79 s VAL 46 Cb -0.33 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 31.67 1u79 s VAL 46 CO 0.28 0.07 0.53 2.22 0.00 0.00 0.00 175.10 178.20 1u79 n PHE 47 N 4.68 0.00 -3.58 5.22 -1.74 -0.43 -4.99 117.46 116.62 1u79 n PHE 47 Ca 0.06 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.89 1u79 n PHE 47 Cb 0.49 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.47 1u79 n PHE 47 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1u79 s ASP 48 N -2.11 -0.22 -0.13 5.98 2.15 -1.23 -5.01 116.67 116.11 1u79 s ASP 48 Ca 0.05 0.09 -0.30 0.00 0.43 0.00 0.00 52.55 52.82 1u79 s ASP 48 Cb 0.09 0.21 0.12 0.00 -0.30 0.00 0.00 42.92 43.04 1u79 s ASP 48 CO 0.49 -0.30 0.99 -0.94 -0.17 0.00 0.00 175.17 175.23 1u79 s SER 49 N -1.85 -0.35 0.12 -0.34 1.04 -1.26 -0.32 113.70 110.73 1u79 s SER 49 Ca 0.06 0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.85 1u79 s SER 49 Cb -0.01 0.31 -0.20 0.00 0.10 0.00 0.00 66.02 66.21 1u79 s SER 49 CO -0.05 -0.39 1.28 0.77 0.98 0.00 0.00 173.24 175.83 1u79 h SER 50 N 2.41 0.04 -0.70 7.02 4.64 -1.42 -3.33 113.55 122.21 1u79 h SER 50 Ca -0.18 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1u79 h SER 50 Cb 1.18 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1u79 h SER 50 CO 0.30 1.02 0.46 1.88 -0.87 0.00 0.00 176.83 179.63 1u79 h TYR 51 N 0.01 0.87 0.36 4.77 -1.99 -1.80 -2.53 116.97 116.67 1u79 h TYR 51 Ca -0.02 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1u79 h TYR 51 Cb 1.77 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 40.19 1u79 h TYR 51 CO 0.01 0.55 -0.37 -0.91 -0.00 0.00 0.00 178.16 177.43 1u79 h ASN 52 N 0.94 -1.02 0.00 3.88 2.35 -1.93 -1.20 115.58 118.60 1u79 h ASN 52 Ca 0.26 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1u79 h ASN 52 Cb -0.10 0.34 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1u79 h ASN 52 CO -0.06 -0.49 0.44 0.03 -1.65 0.00 0.00 177.43 175.71 1u79 h ARG 53 N -0.73 0.00 -0.01 0.81 3.08 -1.64 -3.44 114.38 112.45 1u79 h ARG 53 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1u79 h ARG 53 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1u79 h ARG 53 CO -0.05 0.00 -0.00 0.41 -1.07 0.00 0.00 179.97 179.26 1u79 n GLY 54 N -1.28 0.38 3.59 0.04 0.00 -0.45 -5.03 105.19 102.44 1u79 n GLY 54 Ca -0.01 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 1u79 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u79 s LYS 55 N -2.33 0.41 0.85 1.61 -2.85 -1.11 -5.05 119.74 111.27 1u79 s LYS 55 Ca 0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 55.97 54.80 1u79 s LYS 55 Cb 0.00 0.19 0.10 0.00 -2.06 0.00 0.00 37.83 36.06 1u79 s LYS 55 CO 0.00 -0.16 1.09 -1.25 0.10 0.00 0.00 175.35 175.13 1u79 s PRO 56 N -1.98 1.61 -0.11 1.78 0.04 -1.26 -4.54 135.00 130.54 1u79 s PRO 56 Ca 0.06 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 1u79 s PRO 56 Cb -0.01 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1u79 s PRO 56 CO -0.04 -2.00 0.66 -1.17 0.04 0.00 0.00 177.00 174.48 1u79 s LEU 57 N -6.07 4.26 -0.23 -3.56 2.96 0.11 -4.85 118.68 111.30 1u79 s LEU 57 Ca 0.62 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 55.51 1u79 s LEU 57 Cb -0.17 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 1u79 s LEU 57 CO 0.56 -0.15 0.06 -0.89 -1.32 0.00 0.00 176.35 174.61 1u79 s THR 58 N 1.10 4.29 0.24 3.68 2.01 -1.26 -1.45 115.64 124.26 1u79 s THR 58 Ca 0.34 -0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 1u79 s THR 58 Cb -0.17 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.39 1u79 s THR 58 CO 0.15 0.37 0.67 0.72 -0.69 0.00 0.00 174.62 175.84 1u79 s PHE 59 N 1.36 -0.27 -0.12 4.92 -0.71 -0.52 -4.98 117.98 117.66 1u79 s PHE 59 Ca 0.05 -0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 55.67 1u79 s PHE 59 Cb -0.15 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1u79 s PHE 59 CO 0.03 -1.11 0.38 1.03 -1.34 0.00 0.00 175.22 174.21 1u79 s ARG 60 N -3.87 4.24 0.15 1.99 0.52 -1.26 0.00 118.95 120.72 1u79 s ARG 60 Ca 0.08 0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 55.43 1u79 s ARG 60 Cb -0.04 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 31.96 1u79 s ARG 60 CO 0.01 0.27 0.56 -1.50 0.02 0.00 0.00 175.30 174.66 1u79 s ILE 61 N 0.32 4.84 -0.31 1.52 1.10 -0.75 -4.32 121.20 123.59 1u79 s ILE 61 Ca 0.21 0.85 0.00 0.00 -0.51 0.00 0.00 60.65 61.21 1u79 s ILE 61 Cb -0.14 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 38.73 1u79 s ILE 61 CO 0.08 0.24 0.00 0.61 -2.11 0.00 0.00 174.94 173.75 1u79 n GLY 62 N 0.79 0.61 0.20 1.50 0.00 -1.26 -0.69 105.19 106.34 1u79 n GLY 62 Ca -0.05 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.35 1u79 n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u79 n VAL 63 N -2.86 0.96 -1.03 1.61 0.24 -1.26 -4.74 118.33 111.24 1u79 n VAL 63 Ca -0.03 -1.12 -0.01 0.00 -2.04 0.00 0.00 64.34 61.14 1u79 n VAL 63 Cb 0.12 0.22 -0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1u79 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u79 n GLY 64 N -0.70 0.46 0.14 7.63 0.00 -1.26 -4.91 105.19 106.56 1u79 n GLY 64 Ca 0.07 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.20 1u79 n GLY 64 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u79 h GLU 65 N 0.02 0.00 -5.01 1.61 4.81 -1.95 -3.45 114.58 110.61 1u79 h GLU 65 Ca -0.02 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.70 1u79 h GLU 65 Cb 0.07 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.31 1u79 h GLU 65 CO 0.03 0.00 -0.53 0.14 -0.73 0.00 0.00 179.01 177.92 1u79 s VAL 66 N -3.14 0.55 0.81 0.32 -7.23 -1.26 -5.05 120.40 105.40 1u79 s VAL 66 Ca 0.09 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 1u79 s VAL 66 Cb 0.10 -2.45 0.09 0.00 0.56 0.00 0.00 36.38 34.68 1u79 s VAL 66 CO 0.62 0.00 1.18 0.27 -0.31 0.00 0.00 175.10 176.87 1u79 s ILE 67 N -3.34 2.20 0.23 -0.62 -4.36 -1.26 -4.80 121.20 109.25 1u79 s ILE 67 Ca 0.29 0.08 -0.06 0.00 -0.26 0.00 0.00 60.65 60.70 1u79 s ILE 67 Cb 0.04 -2.44 0.19 0.00 1.25 0.00 0.00 42.46 41.50 1u79 s ILE 67 CO 0.16 -0.07 1.79 0.50 0.24 0.00 0.00 174.94 177.57 1u79 h LYS 68 N -0.99 0.65 -0.65 0.37 3.64 -1.84 -1.39 116.57 116.35 1u79 h LYS 68 Ca -0.46 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.04 1u79 h LYS 68 Cb 1.28 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1u79 h LYS 68 CO 0.46 0.43 0.45 0.78 -2.27 0.00 0.00 179.45 179.30 1u79 h GLY 69 N 0.67 0.32 0.61 5.01 0.00 -1.28 -0.28 103.07 108.12 1u79 h GLY 69 Ca 0.36 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 1u79 h GLY 69 CO -0.26 0.03 -0.35 1.49 0.00 0.00 0.00 176.54 177.45 1u79 h TRP 70 N 0.19 0.40 -0.31 5.60 4.06 -1.52 0.02 115.95 124.39 1u79 h TRP 70 Ca 0.32 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1u79 h TRP 70 Cb 0.98 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 29.07 1u79 h TRP 70 CO -0.00 0.98 0.20 -0.44 -3.56 0.00 0.00 178.44 175.61 1u79 h ASP 71 N -0.28 0.37 0.12 -3.49 3.32 -1.11 -0.31 116.42 115.04 1u79 h ASP 71 Ca -0.04 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 1u79 h ASP 71 Cb 1.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1u79 h ASP 71 CO 0.07 0.29 -0.54 1.56 -1.72 0.00 0.00 179.24 178.91 1u79 h GLN 72 N 0.41 0.45 0.00 3.56 4.20 -1.18 -1.21 115.11 121.34 1u79 h GLN 72 Ca 0.11 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1u79 h GLN 72 Cb -0.02 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1u79 h GLN 72 CO -0.02 0.87 0.00 0.78 -0.67 0.00 0.00 178.83 179.79 1u79 h GLY 73 N 1.18 0.00 0.00 3.46 0.00 -0.64 -1.05 103.07 106.01 1u79 h GLY 73 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 1u79 h GLY 73 CO 0.10 0.00 -1.80 1.39 0.00 0.00 0.00 176.54 176.23 1u79 n ILE 74 N -2.39 0.79 0.08 2.60 5.41 -0.16 -4.62 119.36 121.07 1u79 n ILE 74 Ca 0.04 -0.21 -0.06 0.00 1.00 0.00 0.00 62.75 63.52 1u79 n ILE 74 Cb 0.39 -1.61 -0.04 0.00 -0.71 0.00 0.00 39.64 37.67 1u79 n ILE 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1u79 h LEU 75 N -0.45 0.05 0.00 1.39 5.85 -1.38 0.91 115.31 121.68 1u79 h LEU 75 Ca -0.36 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1u79 h LEU 75 Cb 1.34 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1u79 h LEU 75 CO -0.20 0.93 0.00 0.61 -0.34 0.00 0.00 178.44 179.44 1u79 n GLY 76 N 1.06 2.28 0.08 3.75 0.00 -0.40 -4.16 105.19 107.79 1u79 n GLY 76 Ca -0.01 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 1u79 n GLY 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u79 n SER 77 N 0.00 -0.04 -4.67 1.61 3.41 -0.51 -4.64 113.62 108.78 1u79 n SER 77 Ca 0.00 -1.02 -0.48 0.00 -0.26 0.00 0.00 58.87 57.10 1u79 n SER 77 Cb 0.00 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1u79 n SER 77 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u79 n ASP 78 N -0.77 3.11 0.00 4.04 10.43 -1.26 -0.53 116.55 131.57 1u79 n ASP 78 Ca -0.00 1.03 0.00 0.00 2.57 0.00 0.00 54.79 58.39 1u79 n ASP 78 Cb 0.01 -1.37 0.00 0.00 1.84 0.00 0.00 41.12 41.60 1u79 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u79 n GLY 79 N 3.85 1.45 2.90 0.44 0.00 -1.26 -4.39 105.19 108.18 1u79 n GLY 79 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1u79 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u79 s ILE 80 N -3.53 1.28 0.49 -0.61 1.01 0.30 -4.57 121.20 115.58 1u79 s ILE 80 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 1u79 s ILE 80 Cb 0.00 -1.51 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 1u79 s ILE 80 CO 0.00 0.00 1.13 -2.84 0.00 0.00 0.00 174.94 173.23 1u79 s PRO 81 N 1.53 3.61 0.64 2.79 0.02 -1.26 -1.42 135.00 140.92 1u79 s PRO 81 Ca -0.02 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 62.50 1u79 s PRO 81 Cb -0.17 -2.21 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 1u79 s PRO 81 CO -0.07 -0.65 1.08 -1.25 -0.33 0.00 0.00 177.00 175.78 1u79 s PRO 82 N -2.99 3.00 0.41 5.54 0.04 -1.26 -4.56 135.00 135.18 1u79 s PRO 82 Ca 0.68 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1u79 s PRO 82 Cb -0.25 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1u79 s PRO 82 CO 0.29 -1.07 0.88 -1.64 0.04 0.00 0.00 177.00 175.50 1u79 s MET 83 N -4.22 4.10 0.18 4.56 -1.94 0.31 -4.92 119.30 117.37 1u79 s MET 83 Ca 0.64 0.93 0.05 0.00 -1.71 0.00 0.00 55.69 55.61 1u79 s MET 83 Cb -0.18 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1u79 s MET 83 CO 0.42 -0.00 0.15 -0.51 -0.01 0.00 0.00 175.02 175.07 1u79 s LEU 84 N -3.26 3.84 0.11 -0.03 1.02 -1.26 -2.27 118.68 116.82 1u79 s LEU 84 Ca 0.59 -0.13 -0.34 0.00 0.02 0.00 0.00 54.13 54.27 1u79 s LEU 84 Cb -0.10 -2.43 -0.13 0.00 0.02 0.00 0.00 46.19 43.55 1u79 s LEU 84 CO 0.17 0.05 1.64 0.41 0.02 0.00 0.00 176.35 178.65 1u79 n THR 85 N -0.49 0.13 -0.40 5.49 -1.04 -0.22 -1.28 114.28 116.47 1u79 n THR 85 Ca -0.08 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1u79 n THR 85 Cb 0.55 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1u79 n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u79 n GLY 86 N 3.63 0.76 3.90 3.41 0.00 0.41 -0.70 105.19 116.61 1u79 n GLY 86 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1u79 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u79 s GLY 87 N -1.78 1.73 -0.15 -0.02 0.00 -0.40 -4.34 107.32 102.35 1u79 s GLY 87 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.23 1u79 s GLY 87 CO 0.00 -0.37 -0.20 1.25 0.00 0.00 0.00 173.10 173.78 1u79 s LYS 88 N -4.00 3.04 -0.00 2.90 2.20 0.83 -1.81 119.74 122.90 1u79 s LYS 88 Ca 0.46 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1u79 s LYS 88 Cb -0.10 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.71 1u79 s LYS 88 CO 0.34 -0.07 -0.07 0.50 -0.36 0.00 0.00 175.35 175.70 1u79 s ARG 89 N 0.95 0.56 -0.15 4.03 3.52 -0.25 -1.72 118.95 125.90 1u79 s ARG 89 Ca -0.03 -0.30 -0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1u79 s ARG 89 Cb -0.15 -0.53 -0.04 0.00 -1.56 0.00 0.00 34.95 32.67 1u79 s ARG 89 CO -0.05 0.14 0.09 0.99 -0.81 0.00 0.00 175.30 175.66 1u79 s THR 90 N -0.28 5.05 -0.05 4.11 2.01 -0.45 0.17 115.64 126.20 1u79 s THR 90 Ca 0.02 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.12 1u79 s THR 90 Cb -0.03 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1u79 s THR 90 CO -0.00 0.53 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.49 1u79 s LEU 91 N -0.30 2.00 -0.27 4.42 1.43 0.96 -1.71 118.68 125.21 1u79 s LEU 91 Ca 0.09 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1u79 s LEU 91 Cb -0.12 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 44.95 1u79 s LEU 91 CO 0.01 0.21 -0.00 -0.60 0.23 0.00 0.00 176.35 176.20 1u79 s ARG 92 N -0.10 2.88 -0.26 1.70 3.52 -0.40 -1.08 118.95 125.21 1u79 s ARG 92 Ca -0.03 -0.97 -0.03 0.00 -0.13 0.00 0.00 55.73 54.58 1u79 s ARG 92 Cb -0.12 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1u79 s ARG 92 CO 0.03 -0.44 -0.02 0.42 -0.81 0.00 0.00 175.30 174.47 1u79 s ILE 93 N 1.38 3.16 0.69 4.11 1.01 0.70 -1.47 121.20 130.78 1u79 s ILE 93 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 1u79 s ILE 93 Cb -0.17 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1u79 s ILE 93 CO -0.02 0.17 1.14 -2.16 0.00 0.00 0.00 174.94 174.08 1u79 s PRO 94 N 1.37 2.56 0.32 2.79 0.04 -1.26 -1.02 135.00 139.79 1u79 s PRO 94 Ca 0.01 1.52 0.09 0.00 0.04 0.00 0.00 61.00 62.66 1u79 s PRO 94 Cb -0.17 -1.91 0.91 0.00 0.04 0.00 0.00 34.50 33.38 1u79 s PRO 94 CO -0.03 -1.46 1.67 -1.35 0.04 0.00 0.00 177.00 175.87 1u79 h PRO 95 N -0.09 0.32 -0.90 0.56 0.11 -1.84 0.05 132.00 130.20 1u79 h PRO 95 Ca -0.47 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.84 1u79 h PRO 95 Cb 1.26 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1u79 h PRO 95 CO 0.52 0.21 0.61 0.93 -0.21 0.00 0.00 178.00 180.06 1u79 h GLU 96 N 0.33 0.28 -0.56 1.05 5.08 -1.90 0.13 114.58 118.99 1u79 h GLU 96 Ca 0.65 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1u79 h GLU 96 Cb 1.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1u79 h GLU 96 CO -0.60 0.19 0.00 1.28 -1.00 0.00 0.00 179.01 178.88 1u79 n LEU 97 N -4.45 3.98 0.00 1.33 4.77 -0.01 -4.82 117.00 117.80 1u79 n LEU 97 Ca 0.19 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 1u79 n LEU 97 Cb 0.78 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1u79 n LEU 97 CO 0.33 0.83 0.00 0.00 -1.33 0.00 0.00 177.39 177.22 1u79 n ALA 98 N 0.98 0.00 0.37 -1.18 0.00 0.27 -0.74 120.51 120.20 1u79 n ALA 98 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.75 1u79 n ALA 98 Cb 0.69 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.30 1u79 n ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u79 n TYR 99 N 0.00 0.34 -4.67 0.00 4.02 -1.18 -4.78 117.16 110.90 1u79 n TYR 99 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 1u79 n TYR 99 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1u79 n TYR 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u79 n GLY 100 N 1.22 -0.13 0.00 2.72 0.00 -0.04 -3.77 105.19 105.19 1u79 n GLY 100 Ca 0.16 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1u79 n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u79 n ASP 101 N -1.95 0.00 -4.67 1.61 5.68 -1.26 -0.35 116.55 115.61 1u79 n ASP 101 Ca 0.00 -0.73 -0.32 0.00 -0.50 0.00 0.00 54.79 53.24 1u79 n ASP 101 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1u79 n ASP 101 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1u79 s ARG 102 N -2.00 2.67 0.82 0.11 0.52 -1.25 -3.95 118.95 115.88 1u79 s ARG 102 Ca 0.30 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 1u79 s ARG 102 Cb 0.14 -2.60 0.09 0.00 0.52 0.00 0.00 34.95 33.10 1u79 s ARG 102 CO 0.23 0.60 1.17 0.20 0.02 0.00 0.00 175.30 177.51 1u79 s GLY 103 N -1.75 1.96 0.08 -3.53 0.00 -1.26 -4.40 107.32 98.42 1u79 s GLY 103 Ca 0.21 0.68 0.07 0.00 0.00 0.00 0.00 44.72 45.68 1u79 s GLY 103 CO 0.12 1.08 -0.19 0.00 0.00 0.00 0.00 173.10 174.11 1u79 s ALA 104 N -2.40 1.64 -1.07 3.20 0.00 0.15 -4.80 121.76 118.48 1u79 s ALA 104 Ca 0.69 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1u79 s ALA 104 Cb -0.25 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1u79 s ALA 104 CO 0.52 0.33 0.91 0.41 0.00 0.00 0.00 175.76 177.93 1u79 n GLY 105 N 1.41 -1.10 3.54 0.00 0.00 -1.26 -1.55 105.19 106.23 1u79 n GLY 105 Ca -0.19 0.54 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 1u79 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u79 n LYS 107 N -2.21 1.24 -1.07 0.00 5.02 -0.37 -4.91 118.16 115.87 1u79 n LYS 107 Ca 0.15 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1u79 n LYS 107 Cb 0.54 0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.99 1u79 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u79 n GLY 108 N -1.41 -2.07 4.62 0.72 0.00 -1.26 -4.37 105.19 101.42 1u79 n GLY 108 Ca -0.19 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1u79 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u79 n GLY 109 N 0.03 1.06 3.33 -0.02 0.00 -1.26 -4.84 105.19 103.49 1u79 n GLY 109 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1u79 n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u79 s SER 110 N -0.59 6.61 0.23 1.61 0.15 -1.26 -5.04 113.70 115.39 1u79 s SER 110 Ca 0.00 -2.42 0.08 0.00 0.70 0.00 0.00 55.95 54.31 1u79 s SER 110 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1u79 s SER 110 CO 0.00 -0.67 0.02 0.00 1.20 0.00 0.00 173.24 173.79 1u79 h LEU 112 N 2.18 0.05 -7.87 0.00 3.38 -0.51 -3.41 115.31 109.13 1u79 h LEU 112 Ca -0.46 -0.05 -0.67 0.00 0.09 0.00 0.00 57.88 56.78 1u79 h LEU 112 Cb 1.23 -0.02 -0.37 0.00 0.09 0.00 0.00 40.66 41.59 1u79 h LEU 112 CO 0.59 1.04 -0.77 -0.63 0.09 0.00 0.00 178.44 178.77 1u79 s ILE 113 N -2.70 2.32 0.82 1.22 1.01 -0.59 -4.97 121.20 118.31 1u79 s ILE 113 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 60.65 58.82 1u79 s ILE 113 Cb 0.10 -2.42 0.09 0.00 0.01 0.00 0.00 42.46 40.24 1u79 s ILE 113 CO 0.83 -0.14 1.15 -2.84 0.00 0.00 0.00 174.94 173.94 1u79 s PRO 114 N 1.09 1.71 0.46 2.79 0.02 -1.26 0.34 135.00 140.15 1u79 s PRO 114 Ca -0.05 1.50 -0.24 0.00 0.02 0.00 0.00 61.00 62.24 1u79 s PRO 114 Cb -0.20 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 1u79 s PRO 114 CO -0.05 -2.11 1.14 -2.30 -0.33 0.00 0.00 177.00 173.35 1u79 n PRO 115 N -3.56 1.55 -3.78 5.54 -0.02 -1.26 -3.04 135.00 130.43 1u79 n PRO 115 Ca 0.12 0.56 -0.27 0.00 -2.02 0.00 0.00 63.50 61.88 1u79 n PRO 115 Cb 0.52 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1u79 n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u79 n ALA 116 N -0.60 -1.40 -2.24 3.55 0.00 0.52 -4.90 120.51 115.44 1u79 n ALA 116 Ca 0.09 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 1u79 n ALA 116 Cb 0.41 -4.45 -0.06 0.00 0.00 0.00 0.00 19.45 15.35 1u79 n ALA 116 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u79 s SER 117 N -3.47 7.08 -0.07 0.00 0.01 -1.17 -4.74 113.70 111.34 1u79 s SER 117 Ca 0.54 1.30 -0.22 0.00 1.31 0.00 0.00 55.95 58.88 1u79 s SER 117 Cb -0.26 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1u79 s SER 117 CO 0.79 0.24 0.64 -0.69 0.41 0.00 0.00 173.24 174.63 1u79 s VAL 118 N -1.17 5.07 -0.02 3.43 1.01 -1.26 -3.25 120.40 124.20 1u79 s VAL 118 Ca 0.31 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.61 1u79 s VAL 118 Cb -0.19 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1u79 s VAL 118 CO 0.20 0.29 0.00 -0.76 0.00 0.00 0.00 175.10 174.83 1u79 s LEU 119 N 0.66 3.53 -0.16 3.92 1.43 -0.19 -4.09 118.68 123.79 1u79 s LEU 119 Ca 0.34 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1u79 s LEU 119 Cb -0.17 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1u79 s LEU 119 CO 0.16 0.30 -0.13 -0.76 0.23 0.00 0.00 176.35 176.15 1u79 s LEU 120 N -1.41 2.59 0.02 1.79 1.43 0.06 -0.22 118.68 122.95 1u79 s LEU 120 Ca 0.18 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1u79 s LEU 120 Cb -0.11 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1u79 s LEU 120 CO 0.08 0.08 -0.18 -0.36 0.23 0.00 0.00 176.35 176.21 1u79 s PHE 121 N 0.87 1.55 -0.22 0.29 0.40 -0.24 0.09 117.98 120.71 1u79 s PHE 121 Ca -0.04 -0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1u79 s PHE 121 Cb -0.15 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1u79 s PHE 121 CO -0.00 0.03 0.02 -0.51 0.70 0.00 0.00 175.22 175.46 1u79 s ASP 122 N -0.85 4.89 -0.13 1.36 1.11 -0.60 -0.03 116.67 122.43 1u79 s ASP 122 Ca 0.06 -0.23 0.03 0.00 0.18 0.00 0.00 52.55 52.59 1u79 s ASP 122 Cb -0.08 -1.86 0.01 0.00 1.07 0.00 0.00 42.92 42.06 1u79 s ASP 122 CO 0.01 0.01 -0.22 -0.63 1.18 0.00 0.00 175.17 175.51 1u79 s ILE 123 N 1.33 2.11 -0.37 0.77 1.01 0.13 -2.15 121.20 124.02 1u79 s ILE 123 Ca 0.04 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 1u79 s ILE 123 Cb -0.15 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.57 1u79 s ILE 123 CO 0.02 0.55 0.15 -1.61 0.00 0.00 0.00 174.94 174.05 1u79 s GLU 124 N 0.63 2.40 -0.57 2.79 2.02 -0.16 -1.09 118.70 124.72 1u79 s GLU 124 Ca -0.12 -1.46 -0.26 0.00 0.02 0.00 0.00 54.97 53.15 1u79 s GLU 124 Cb -0.16 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.58 1u79 s GLU 124 CO 0.02 -0.85 1.09 -0.47 0.02 0.00 0.00 175.26 175.07 1u79 s TYR 125 N 1.30 2.68 0.19 1.61 6.04 -0.75 -1.46 117.35 126.96 1u79 s TYR 125 Ca 0.02 0.22 0.04 0.00 0.04 0.00 0.00 57.07 57.38 1u79 s TYR 125 Cb -0.21 -4.33 0.08 0.00 -1.04 0.00 0.00 41.96 36.45 1u79 s TYR 125 CO -0.00 -1.50 1.44 0.82 -1.54 0.00 0.00 175.55 174.77 1u79 h ILE 126 N 6.10 1.47 0.00 3.14 2.04 -1.63 0.12 117.51 128.74 1u79 h ILE 126 Ca -0.26 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1u79 h ILE 126 Cb 1.06 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1u79 h ILE 126 CO 1.15 0.71 0.00 0.61 0.00 0.00 0.00 178.15 180.62 1u79 n GLY 127 N 0.68 0.40 3.65 5.37 0.00 -1.22 -4.29 105.19 109.78 1u79 n GLY 127 Ca -0.03 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 1u79 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u79 n LYS 128 N 0.00 1.71 0.00 1.61 5.02 -1.26 -2.01 118.16 123.22 1u79 n LYS 128 Ca 0.00 0.60 0.12 0.00 -2.02 0.00 0.00 58.31 57.01 1u79 n LYS 128 Cb 0.00 -2.13 0.10 0.00 -0.02 0.00 0.00 35.03 32.98 1u79 n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88