#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 3.19 0.36 0.00 2.56 -1.26 -5.01 118.70 118.54 1u79 s GLU 6 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 54.97 53.90 1u79 s GLU 6 Cb 0.00 -4.32 -0.10 0.00 2.00 0.00 0.00 34.13 31.71 1u79 s GLU 6 CO 0.00 -1.90 1.34 -0.06 -0.56 0.00 0.00 175.26 174.08 1u79 s PHE 7 N 4.34 2.88 -0.26 5.30 0.40 -1.26 -4.74 117.98 124.64 1u79 s PHE 7 Ca 0.27 1.36 -0.10 0.00 -0.60 0.00 0.00 56.93 57.86 1u79 s PHE 7 Cb -0.13 -3.75 -0.04 0.00 0.51 0.00 0.00 43.02 39.60 1u79 s PHE 7 CO 0.09 -2.17 0.15 0.45 0.70 0.00 0.00 175.22 174.43 1u79 s SER 8 N -0.49 5.80 -0.37 1.36 0.15 0.15 -4.90 113.70 115.39 1u79 s SER 8 Ca 0.52 -0.03 -0.15 0.00 0.70 0.00 0.00 55.95 56.99 1u79 s SER 8 Cb -0.41 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1u79 s SER 8 CO 0.54 -0.01 0.32 -0.69 1.20 0.00 0.00 173.24 174.60 1u79 s VAL 9 N 1.52 5.21 0.98 4.45 1.01 -1.26 -2.03 120.40 130.27 1u79 s VAL 9 Ca 0.07 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1u79 s VAL 9 Cb -0.15 -3.86 0.18 0.00 0.00 0.00 0.00 36.38 32.55 1u79 s VAL 9 CO 0.07 -0.18 1.10 -0.94 0.00 0.00 0.00 175.10 175.16 1u79 s SER 10 N 1.73 2.80 0.57 3.32 1.04 -0.68 -4.89 113.70 117.58 1u79 s SER 10 Ca 0.08 1.12 0.27 0.00 0.48 0.00 0.00 55.95 57.90 1u79 s SER 10 Cb -0.17 -1.76 1.55 0.00 0.10 0.00 0.00 66.02 65.74 1u79 s SER 10 CO 0.11 -3.01 2.07 -0.65 0.98 0.00 0.00 173.24 172.74 1u79 h PRO 11 N -1.81 0.00 -0.00 4.02 0.11 -1.87 -1.99 132.00 130.45 1u79 h PRO 11 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 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 0.59 0.00 -0.34 -1.13 -0.21 0.00 0.00 178.00 176.91 1u79 n SER 12 N -4.00 0.68 0.00 -2.05 3.41 -1.26 -4.93 113.62 105.47 1u79 n SER 12 Ca 0.03 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1u79 n SER 12 Cb 0.38 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 1.41 2.89 3.70 5.00 0.00 -0.75 -4.93 105.19 112.51 1u79 n GLY 13 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 4.38 0.11 0.99 2.96 -1.26 -4.63 118.68 121.23 1u79 s LEU 14 Ca 0.00 2.74 0.10 0.00 -0.22 0.00 0.00 54.13 56.75 1u79 s LEU 14 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1u79 s LEU 14 CO 0.00 -0.96 -0.25 0.00 -1.32 0.00 0.00 176.35 173.82 1u79 s ALA 15 N 2.09 2.21 0.10 5.97 0.00 -0.31 -1.69 121.76 130.12 1u79 s ALA 15 Ca 0.77 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 1u79 s ALA 15 Cb -0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1u79 s ALA 15 CO 0.34 0.49 0.18 -0.59 0.00 0.00 0.00 175.76 176.19 1u79 s PHE 16 N -1.04 0.25 -0.13 0.00 -0.71 -0.86 -0.25 117.98 115.23 1u79 s PHE 16 Ca 0.12 -0.68 -0.06 0.00 -1.04 0.00 0.00 56.93 55.27 1u79 s PHE 16 Cb -0.10 -0.10 0.06 0.00 -1.21 0.00 0.00 43.02 41.67 1u79 s PHE 16 CO 0.05 -0.56 0.29 0.00 -1.34 0.00 0.00 175.22 173.66 1u79 s ASP 18 N 2.02 6.23 0.29 0.00 1.01 -1.26 -1.08 116.67 123.88 1u79 s ASP 18 Ca -0.03 -1.16 -0.00 0.00 0.71 0.00 0.00 52.55 52.07 1u79 s ASP 18 Cb -0.11 -2.41 0.43 0.00 1.01 0.00 0.00 42.92 41.84 1u79 s ASP 18 CO -0.09 -1.37 1.81 0.11 0.21 0.00 0.00 175.17 175.84 1u79 h LYS 19 N 9.45 0.74 -2.88 8.23 1.57 -1.49 -3.41 116.57 128.79 1u79 h LYS 19 Ca -0.23 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.13 1u79 h LYS 19 Cb 1.07 -0.10 -0.34 0.00 0.08 0.00 0.00 32.23 32.93 1u79 h LYS 19 CO 1.17 0.72 -0.58 0.08 -0.57 0.00 0.00 179.45 180.27 1u79 s VAL 20 N -5.07 -0.36 0.20 0.50 1.01 -0.90 -4.98 120.40 110.79 1u79 s VAL 20 Ca -0.09 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1u79 s VAL 20 Cb 0.15 -0.43 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 1u79 s VAL 20 CO 0.79 0.08 1.12 -0.69 0.00 0.00 0.00 175.10 176.41 1u79 s VAL 21 N 2.37 3.72 1.10 2.92 1.01 -1.26 -0.46 120.40 129.79 1u79 s VAL 21 Ca 0.03 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.41 1u79 s VAL 21 Cb -0.13 -3.97 0.25 0.00 0.00 0.00 0.00 36.38 32.53 1u79 s VAL 21 CO -0.08 0.28 1.06 0.61 0.00 0.00 0.00 175.10 176.97 1u79 n GLY 22 N 1.91 -1.48 0.03 4.51 0.00 -1.26 -4.68 105.19 104.22 1u79 n GLY 22 Ca 0.02 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.08 1u79 n GLY 22 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1u79 n TYR 23 N -4.77 0.00 -2.25 1.61 4.11 0.36 -4.85 117.16 111.38 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 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 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 1.31 2.92 3.89 -7.48 0.00 -0.40 -4.97 105.19 100.46 1u79 n GLY 24 Ca 0.03 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 2.30 2.64 0.57 1.61 0.04 -1.26 -4.15 135.00 136.74 1u79 s PRO 25 Ca 0.00 0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.18 1u79 s PRO 25 Cb 0.00 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1u79 s PRO 25 CO 0.00 -1.13 1.04 -1.83 0.04 0.00 0.00 177.00 175.12 1u79 s GLU 26 N -5.36 3.49 0.46 4.56 -1.05 -1.26 -1.53 118.70 118.00 1u79 s GLU 26 Ca 0.59 1.15 -0.23 0.00 -0.15 0.00 0.00 54.97 56.33 1u79 s GLU 26 Cb -0.11 -2.06 -0.07 0.00 -0.44 0.00 0.00 34.13 31.45 1u79 s GLU 26 CO 0.50 -0.67 1.19 0.00 0.95 0.00 0.00 175.26 177.24 1u79 s ALA 27 N -2.47 2.98 0.12 -0.84 0.00 -1.05 -4.92 121.76 115.58 1u79 s ALA 27 Ca 0.63 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.69 1u79 s ALA 27 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1u79 s ALA 27 CO 0.35 -0.74 -0.26 0.54 0.00 0.00 0.00 175.76 175.65 1u79 s VAL 28 N -1.49 2.33 0.23 0.00 0.11 -1.26 -4.96 120.40 115.36 1u79 s VAL 28 Ca 0.64 -1.67 -0.31 0.00 -2.93 0.00 0.00 61.98 57.71 1u79 s VAL 28 Cb -0.31 -2.02 -0.11 0.00 -1.53 0.00 0.00 36.38 32.41 1u79 s VAL 28 CO 0.37 0.13 1.63 -0.75 -3.33 0.00 0.00 175.10 173.16 1u79 s LYS 29 N -1.96 4.15 0.00 1.54 2.20 -1.26 -2.36 119.74 122.05 1u79 s LYS 29 Ca 0.14 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1u79 s LYS 29 Cb -0.10 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1u79 s LYS 29 CO 0.06 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1u79 n GLY 30 N 3.27 2.45 3.89 5.54 0.00 -0.31 -5.04 105.19 114.99 1u79 n GLY 30 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1u79 n GLY 30 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u79 s GLN 31 N -0.93 2.96 0.05 1.61 -2.07 -1.00 -4.73 119.66 115.56 1u79 s GLN 31 Ca 0.00 0.38 -0.19 0.00 -1.82 0.00 0.00 55.36 53.73 1u79 s GLN 31 Cb 0.00 -2.09 -0.06 0.00 -1.09 0.00 0.00 33.01 29.76 1u79 s GLN 31 CO 0.00 -0.89 0.54 -0.51 -1.32 0.00 0.00 175.29 173.11 1u79 s LEU 32 N -5.24 4.50 -0.10 2.60 1.43 -1.26 -0.92 118.68 119.68 1u79 s LEU 32 Ca 0.57 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1u79 s LEU 32 Cb -0.11 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1u79 s LEU 32 CO 0.50 0.26 -0.24 -0.63 0.23 0.00 0.00 176.35 176.48 1u79 s ILE 33 N -0.96 2.05 -0.28 -0.59 1.01 0.16 -4.71 121.20 117.88 1u79 s ILE 33 Ca 0.28 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 1u79 s ILE 33 Cb -0.19 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1u79 s ILE 33 CO 0.18 0.56 0.17 -0.75 0.00 0.00 0.00 174.94 175.09 1u79 s LYS 34 N 0.38 3.84 0.01 2.79 2.20 0.29 -1.44 119.74 127.81 1u79 s LYS 34 Ca -0.18 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1u79 s LYS 34 Cb -0.18 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1u79 s LYS 34 CO 0.08 -0.20 -0.03 0.00 -0.36 0.00 0.00 175.35 174.83 1u79 s ALA 35 N 1.72 0.21 0.14 3.13 0.00 -0.40 -1.43 121.76 125.14 1u79 s ALA 35 Ca 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1u79 s ALA 35 Cb -0.16 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1u79 s ALA 35 CO 0.09 -0.05 0.14 -1.01 0.00 0.00 0.00 175.76 174.94 1u79 s HIS 36 N -0.82 3.21 0.11 0.00 3.76 -0.66 -0.38 115.29 120.50 1u79 s HIS 36 Ca -0.08 0.02 -0.26 0.00 -0.15 0.00 0.00 55.06 54.60 1u79 s HIS 36 Cb -0.06 -1.56 0.07 0.00 1.11 0.00 0.00 32.58 32.15 1u79 s HIS 36 CO -0.00 0.52 0.92 1.52 -0.85 0.00 0.00 174.74 176.84 1u79 s TYR 37 N -1.67 -0.22 -0.04 1.40 -0.85 -1.26 -0.95 117.35 113.76 1u79 s TYR 37 Ca 0.31 -0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.81 1u79 s TYR 37 Cb -0.11 0.61 0.03 0.00 0.38 0.00 0.00 41.96 42.87 1u79 s TYR 37 CO 0.24 -0.75 0.04 0.08 -1.52 0.00 0.00 175.55 173.63 1u79 s VAL 38 N -3.27 0.04 -0.12 -3.49 1.01 -0.97 -0.89 120.40 112.72 1u79 s VAL 38 Ca 0.09 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1u79 s VAL 38 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1u79 s VAL 38 CO -0.02 0.18 -0.09 -0.83 0.00 0.00 0.00 175.10 174.34 1u79 s GLY 39 N 1.85 1.62 0.06 4.51 0.00 0.54 -1.64 107.32 114.26 1u79 s GLY 39 Ca 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 1u79 s GLY 39 CO -0.03 -0.31 0.00 -1.59 0.00 0.00 0.00 173.10 171.17 1u79 s LYS 40 N 0.01 0.64 0.65 2.90 -2.85 0.13 -1.34 119.74 119.88 1u79 s LYS 40 Ca -0.02 -1.17 -0.05 0.00 -1.00 0.00 0.00 55.97 53.73 1u79 s LYS 40 Cb -0.14 0.23 0.05 0.00 -2.06 0.00 0.00 37.83 35.91 1u79 s LYS 40 CO 0.03 -0.13 0.94 -0.51 0.10 0.00 0.00 175.35 175.79 1u79 s LEU 41 N -2.89 2.98 0.31 2.77 1.43 -0.59 -0.84 118.68 121.86 1u79 s LEU 41 Ca 0.06 0.39 0.24 0.00 -1.03 0.00 0.00 54.13 53.80 1u79 s LEU 41 Cb 0.07 -3.12 1.11 0.00 0.03 0.00 0.00 46.19 44.28 1u79 s LEU 41 CO -0.10 -1.41 1.74 -0.33 0.23 0.00 0.00 176.35 176.47 1u79 h GLU 42 N -0.38 0.00 -0.08 1.70 4.39 -1.91 -1.29 114.58 117.01 1u79 h GLU 42 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1u79 h GLU 42 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1u79 h GLU 42 CO 0.59 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.71 1u79 n ASN 43 N -2.33 1.13 0.00 1.42 6.94 -1.26 -4.90 115.26 116.26 1u79 n ASN 43 Ca 0.01 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 1u79 n ASN 43 Cb 0.18 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 1.06 1.06 3.64 4.83 0.00 -0.49 -5.03 105.19 110.27 1u79 n GLY 44 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.57 4.03 -0.18 1.61 2.20 -1.25 -4.77 119.74 120.81 1u79 s LYS 45 Ca 0.00 1.62 -0.29 0.00 -0.36 0.00 0.00 55.97 56.94 1u79 s LYS 45 Cb 0.00 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1u79 s LYS 45 CO 0.00 -0.98 1.17 0.08 -0.36 0.00 0.00 175.35 175.26 1u79 s VAL 46 N 4.23 4.44 -0.38 4.02 1.01 -1.26 -1.54 120.40 130.91 1u79 s VAL 46 Ca 0.62 1.74 0.22 0.00 0.00 0.00 0.00 61.98 64.56 1u79 s VAL 46 Cb -0.23 -4.12 -0.28 0.00 0.00 0.00 0.00 36.38 31.75 1u79 s VAL 46 CO 0.22 -0.13 0.67 2.22 0.00 0.00 0.00 175.10 178.08 1u79 n PHE 47 N 6.32 0.05 -3.57 5.22 -1.74 -0.45 -4.98 117.46 118.31 1u79 n PHE 47 Ca 0.13 0.01 -0.16 0.00 -0.56 0.00 0.00 57.45 56.88 1u79 n PHE 47 Cb 0.46 -0.35 -0.06 0.00 1.52 0.00 0.00 39.48 41.04 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 -4.02 -0.66 -0.16 5.98 3.68 -1.14 -5.01 116.67 115.34 1u79 s ASP 48 Ca -0.02 0.97 -0.08 0.00 2.13 0.00 0.00 52.55 55.55 1u79 s ASP 48 Cb 0.15 0.87 0.06 0.00 -1.45 0.00 0.00 42.92 42.55 1u79 s ASP 48 CO 0.88 -0.44 0.37 -0.55 0.13 0.00 0.00 175.17 175.57 1u79 s SER 49 N -0.54 -0.44 0.48 -0.34 0.15 -1.26 -0.34 113.70 111.40 1u79 s SER 49 Ca -0.06 0.81 0.25 0.00 0.70 0.00 0.00 55.95 57.65 1u79 s SER 49 Cb -0.02 0.70 1.16 0.00 -1.71 0.00 0.00 66.02 66.15 1u79 s SER 49 CO 0.05 -0.19 1.94 0.77 1.20 0.00 0.00 173.24 177.01 1u79 h SER 50 N 7.18 0.00 0.86 5.45 4.64 -1.29 -0.70 113.55 129.68 1u79 h SER 50 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 1u79 h SER 50 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1u79 h SER 50 CO 0.31 0.19 -0.50 1.88 -0.87 0.00 0.00 176.83 177.84 1u79 h TYR 51 N 0.00 0.00 0.00 4.77 0.05 -1.83 0.40 116.97 120.35 1u79 h TYR 51 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1u79 h TYR 51 Cb 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 1u79 h TYR 51 CO 0.00 0.50 -0.75 -0.97 -1.05 0.00 0.00 178.16 175.89 1u79 h ASN 52 N 0.00 0.00 1.93 3.88 -0.73 -1.74 -3.19 115.58 115.72 1u79 h ASN 52 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1u79 h ASN 52 Cb 1.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1u79 h ASN 52 CO 0.06 0.18 -0.04 0.03 -0.37 0.00 0.00 177.43 177.30 1u79 h ARG 53 N 0.00 0.00 0.00 6.67 3.08 -0.56 -3.48 114.38 120.09 1u79 h ARG 53 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1u79 h ARG 53 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1u79 h ARG 53 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1u79 n GLY 54 N 1.12 0.60 3.55 0.04 0.00 0.07 -5.00 105.19 105.57 1u79 n GLY 54 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.06 0.72 0.83 1.61 -2.85 -0.85 -5.02 119.74 114.12 1u79 s LYS 55 Ca 0.00 0.07 -0.11 0.00 -1.00 0.00 0.00 55.97 54.93 1u79 s LYS 55 Cb 0.00 0.34 0.09 0.00 -2.06 0.00 0.00 37.83 36.20 1u79 s LYS 55 CO 0.00 -0.25 1.09 -1.25 0.10 0.00 0.00 175.35 175.04 1u79 s PRO 56 N -1.53 1.82 -0.22 1.78 0.04 -1.26 -4.67 135.00 130.96 1u79 s PRO 56 Ca -0.02 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 1u79 s PRO 56 Cb -0.00 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1u79 s PRO 56 CO 0.01 -1.86 0.18 -1.17 0.04 0.00 0.00 177.00 174.19 1u79 s LEU 57 N -5.99 4.15 -0.21 -3.56 2.96 0.49 -4.87 118.68 111.65 1u79 s LEU 57 Ca 0.62 0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 54.66 1u79 s LEU 57 Cb -0.16 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 1u79 s LEU 57 CO 0.56 0.09 0.03 -0.89 -1.32 0.00 0.00 176.35 174.81 1u79 s THR 58 N 0.86 4.17 0.08 3.68 2.01 -1.26 -1.27 115.64 123.91 1u79 s THR 58 Ca 0.09 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 1u79 s THR 58 Cb -0.13 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1u79 s THR 58 CO 0.03 0.41 0.23 0.72 -0.69 0.00 0.00 174.62 175.32 1u79 s PHE 59 N 1.07 0.07 -0.03 4.92 -0.12 -0.52 -4.95 117.98 118.41 1u79 s PHE 59 Ca 0.03 -0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 56.25 1u79 s PHE 59 Cb -0.14 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1u79 s PHE 59 CO 0.02 -0.55 0.70 0.50 -0.05 0.00 0.00 175.22 175.84 1u79 s ARG 60 N -3.55 4.43 0.05 1.99 3.52 -1.26 0.40 118.95 124.52 1u79 s ARG 60 Ca 0.02 0.89 -0.13 0.00 -0.13 0.00 0.00 55.73 56.39 1u79 s ARG 60 Cb 0.03 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 1u79 s ARG 60 CO -0.09 0.16 0.42 -1.50 -0.81 0.00 0.00 175.30 173.47 1u79 s ILE 61 N 0.47 5.03 -0.18 4.11 1.10 -0.10 -4.40 121.20 127.23 1u79 s ILE 61 Ca 0.37 0.70 0.00 0.00 -0.51 0.00 0.00 60.65 61.21 1u79 s ILE 61 Cb -0.18 -3.69 0.00 0.00 0.15 0.00 0.00 42.46 38.73 1u79 s ILE 61 CO 0.19 0.44 0.00 0.61 -2.11 0.00 0.00 174.94 174.07 1u79 n GLY 62 N 1.38 0.52 0.02 1.50 0.00 -1.26 -1.16 105.19 106.19 1u79 n GLY 62 Ca -0.11 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.93 0.71 -1.89 1.61 0.24 -1.26 -4.76 118.33 110.04 1u79 n VAL 63 Ca -0.02 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.34 61.53 1u79 n VAL 63 Cb 0.06 0.61 -0.00 0.00 -1.47 0.00 0.00 33.84 33.04 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 -0.39 0.33 0.09 7.63 0.00 -1.26 -4.94 105.19 106.65 1u79 n GLY 64 Ca 0.01 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.00 -5.16 1.61 4.81 -1.96 -3.47 114.58 110.41 1u79 h GLU 65 Ca -0.04 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.66 1u79 h GLU 65 Cb 0.90 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.15 1u79 h GLU 65 CO 0.05 0.00 -0.56 0.14 -0.73 0.00 0.00 179.01 177.91 1u79 s VAL 66 N -3.20 0.98 0.65 0.32 -7.23 -1.26 -5.06 120.40 105.59 1u79 s VAL 66 Ca 0.05 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 1u79 s VAL 66 Cb 0.12 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1u79 s VAL 66 CO 0.72 0.00 1.11 2.30 -0.31 0.00 0.00 175.10 178.92 1u79 n ILE 67 N -0.83 4.17 -0.20 -0.62 -5.35 -1.26 -4.77 119.36 110.50 1u79 n ILE 67 Ca -0.05 -0.48 0.17 0.00 -0.27 0.00 0.00 62.75 62.12 1u79 n ILE 67 Cb 0.66 -1.29 0.50 0.00 -1.74 0.00 0.00 39.64 37.77 1u79 n ILE 67 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1u79 h LYS 68 N 0.36 0.41 -0.41 6.28 1.57 -1.85 -1.25 116.57 121.68 1u79 h LYS 68 Ca -0.49 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1u79 h LYS 68 Cb 1.35 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1u79 h LYS 68 CO 0.51 0.27 0.27 0.78 -0.57 0.00 0.00 179.45 180.71 1u79 h GLY 69 N 0.43 0.52 0.70 3.86 0.00 -1.05 -0.36 103.07 107.16 1u79 h GLY 69 Ca 0.41 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.41 1u79 h GLY 69 CO -0.14 0.17 -0.61 1.49 0.00 0.00 0.00 176.54 177.45 1u79 h TRP 70 N 0.47 0.53 0.10 5.60 4.06 -1.50 0.65 115.95 125.87 1u79 h TRP 70 Ca 0.16 -0.32 0.00 0.00 2.06 0.00 0.00 58.89 60.79 1u79 h TRP 70 Cb 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 1u79 h TRP 70 CO -0.00 1.17 -0.10 -0.44 -3.56 0.00 0.00 178.44 175.51 1u79 h ASP 71 N -0.26 -0.26 0.89 -3.49 3.32 -1.33 -0.70 116.42 114.59 1u79 h ASP 71 Ca -0.09 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 1u79 h ASP 71 Cb 1.37 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1u79 h ASP 71 CO 0.12 -0.16 -0.46 1.56 -1.72 0.00 0.00 179.24 178.58 1u79 h GLN 72 N -0.22 0.00 0.00 3.56 4.20 -1.19 -1.70 115.11 119.77 1u79 h GLN 72 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1u79 h GLN 72 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1u79 h GLN 72 CO -0.03 0.46 -0.47 0.78 -0.67 0.00 0.00 178.83 178.90 1u79 h GLY 73 N 2.24 0.00 0.00 3.46 0.00 -0.60 -2.53 103.07 105.64 1u79 h GLY 73 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1u79 h GLY 73 CO 0.06 0.00 -1.47 4.51 0.00 0.00 0.00 176.54 179.64 1u79 n ILE 74 N -2.23 0.47 0.09 2.60 3.06 -0.29 -4.65 119.36 118.41 1u79 n ILE 74 Ca 0.04 -0.17 -0.11 0.00 -2.50 0.00 0.00 62.75 60.00 1u79 n ILE 74 Cb 0.45 -0.87 -0.08 0.00 0.54 0.00 0.00 39.64 39.68 1u79 n ILE 74 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1u79 h LEU 75 N -0.03 0.28 0.00 9.51 5.85 -1.45 0.72 115.31 130.18 1u79 h LEU 75 Ca -0.19 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1u79 h LEU 75 Cb 1.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1u79 h LEU 75 CO -0.04 1.14 0.00 0.61 -0.34 0.00 0.00 178.44 179.81 1u79 n GLY 76 N 1.21 2.34 1.00 3.75 0.00 -0.95 -3.99 105.19 108.55 1u79 n GLY 76 Ca -0.05 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.42 -4.69 1.61 3.41 -0.48 -4.56 113.62 108.50 1u79 n SER 77 Ca 0.00 -1.20 -0.44 0.00 -0.26 0.00 0.00 58.87 56.97 1u79 n SER 77 Cb 0.00 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.68 3.52 0.00 4.04 10.43 -1.26 -0.51 116.55 132.09 1u79 n ASP 78 Ca -0.00 1.06 0.00 0.00 2.57 0.00 0.00 54.79 58.41 1u79 n ASP 78 Cb 0.15 -1.48 0.00 0.00 1.84 0.00 0.00 41.12 41.63 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 3.76 0.77 2.78 0.44 0.00 -1.26 -4.37 105.19 107.31 1u79 n GLY 79 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.23 0.57 0.50 -0.61 1.01 0.34 -4.55 121.20 115.22 1u79 s ILE 80 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 1u79 s ILE 80 Cb 0.00 -0.84 -0.08 0.00 0.01 0.00 0.00 42.46 41.55 1u79 s ILE 80 CO 0.00 0.09 1.00 -2.16 0.00 0.00 0.00 174.94 173.87 1u79 s PRO 81 N 1.87 3.90 0.71 2.79 0.04 -1.26 -1.38 135.00 141.68 1u79 s PRO 81 Ca 0.02 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1u79 s PRO 81 Cb -0.14 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1u79 s PRO 81 CO -0.07 -0.32 1.13 -1.25 0.04 0.00 0.00 177.00 176.54 1u79 s PRO 82 N -3.64 2.42 0.56 0.56 0.04 -1.26 -4.52 135.00 129.16 1u79 s PRO 82 Ca 0.62 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 1u79 s PRO 82 Cb -0.12 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1u79 s PRO 82 CO 0.24 -1.55 1.01 -1.64 0.04 0.00 0.00 177.00 175.11 1u79 s MET 83 N -4.26 3.70 0.19 4.56 -1.94 0.24 -4.91 119.30 116.88 1u79 s MET 83 Ca 0.67 0.97 0.09 0.00 -1.71 0.00 0.00 55.69 55.71 1u79 s MET 83 Cb -0.22 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 1u79 s MET 83 CO 0.46 -0.48 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.41 1u79 s LEU 84 N -4.45 3.06 0.16 -0.03 1.43 -1.26 -2.53 118.68 115.06 1u79 s LEU 84 Ca 0.59 -0.56 -0.34 0.00 -1.03 0.00 0.00 54.13 52.79 1u79 s LEU 84 Cb -0.12 -1.71 -0.14 0.00 0.03 0.00 0.00 46.19 44.25 1u79 s LEU 84 CO 0.38 0.09 1.52 0.41 0.23 0.00 0.00 176.35 178.98 1u79 n THR 85 N -0.10 0.10 -0.69 5.49 -1.04 -0.58 -1.18 114.28 116.27 1u79 n THR 85 Ca -0.10 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1u79 n THR 85 Cb 0.56 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 3.13 0.73 3.91 3.41 0.00 0.12 -0.48 105.19 116.00 1u79 n GLY 86 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.88 1.57 -0.15 -0.02 0.00 -0.33 -4.36 107.32 102.15 1u79 s GLY 87 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1u79 s GLY 87 CO 0.00 -0.33 -0.10 1.25 0.00 0.00 0.00 173.10 173.92 1u79 s LYS 88 N -4.91 1.91 0.01 2.90 2.20 0.39 -1.41 119.74 120.83 1u79 s LYS 88 Ca 0.51 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.68 1u79 s LYS 88 Cb -0.10 -1.98 -0.01 0.00 -1.51 0.00 0.00 37.83 34.22 1u79 s LYS 88 CO 0.46 -0.30 -0.15 0.50 -0.36 0.00 0.00 175.35 175.50 1u79 s ARG 89 N 1.56 1.15 -0.15 4.03 3.52 0.07 -1.12 118.95 128.02 1u79 s ARG 89 Ca 0.04 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 54.96 1u79 s ARG 89 Cb -0.13 -1.14 -0.04 0.00 -1.56 0.00 0.00 34.95 32.08 1u79 s ARG 89 CO -0.09 0.30 0.06 0.99 -0.81 0.00 0.00 175.30 175.75 1u79 s THR 90 N -0.50 4.77 -0.02 4.11 2.01 -0.24 0.42 115.64 126.19 1u79 s THR 90 Ca 0.05 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1u79 s THR 90 Cb -0.06 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1u79 s THR 90 CO 0.00 0.52 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.46 1u79 s LEU 91 N -0.13 2.04 -0.28 4.42 1.43 0.57 -1.62 118.68 125.11 1u79 s LEU 91 Ca 0.07 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1u79 s LEU 91 Cb -0.12 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 44.97 1u79 s LEU 91 CO 0.01 0.27 -0.07 -0.60 0.23 0.00 0.00 176.35 176.19 1u79 s ARG 92 N -0.46 2.21 -0.28 1.70 3.52 0.65 -1.37 118.95 124.92 1u79 s ARG 92 Ca 0.06 -1.39 -0.08 0.00 -0.13 0.00 0.00 55.73 54.20 1u79 s ARG 92 Cb -0.10 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1u79 s ARG 92 CO -0.00 -0.62 0.11 0.42 -0.81 0.00 0.00 175.30 174.40 1u79 s ILE 93 N 1.12 4.43 0.62 4.11 1.01 0.29 -1.17 121.20 131.61 1u79 s ILE 93 Ca -0.06 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 1u79 s ILE 93 Cb -0.20 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1u79 s ILE 93 CO -0.04 0.20 1.18 -2.16 0.00 0.00 0.00 174.94 174.12 1u79 s PRO 94 N 1.61 2.83 0.45 2.79 0.04 -1.26 -1.31 135.00 140.15 1u79 s PRO 94 Ca 0.05 1.73 0.21 0.00 0.04 0.00 0.00 61.00 63.03 1u79 s PRO 94 Cb -0.16 -1.92 1.19 0.00 0.04 0.00 0.00 34.50 33.64 1u79 s PRO 94 CO 0.05 -1.29 1.87 -1.00 0.04 0.00 0.00 177.00 176.67 1u79 h PRO 95 N 0.57 0.29 0.00 0.56 0.13 -1.84 0.12 132.00 131.82 1u79 h PRO 95 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1u79 h PRO 95 Cb 1.29 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1u79 h PRO 95 CO 0.54 0.19 0.00 1.05 -0.23 0.00 0.00 178.00 179.55 1u79 h GLU 96 N 0.29 0.00 -0.33 0.86 9.09 -1.90 0.29 114.58 122.89 1u79 h GLU 96 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1u79 h GLU 96 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1u79 h GLU 96 CO -0.13 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.21 1u79 n LEU 97 N -2.63 3.39 0.00 3.06 4.77 0.02 -4.80 117.00 120.81 1u79 n LEU 97 Ca -0.00 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 1u79 n LEU 97 Cb 0.16 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1u79 n LEU 97 CO 0.19 0.71 0.00 0.00 -1.33 0.00 0.00 177.39 176.96 1u79 n ALA 98 N 0.15 0.00 -0.31 -1.18 0.00 -0.42 -0.39 120.51 118.36 1u79 n ALA 98 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1u79 n ALA 98 Cb 0.63 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.32 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 0.76 -2.39 0.00 4.01 -1.16 -4.79 117.16 113.59 1u79 n TYR 99 Ca 0.00 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 1u79 n TYR 99 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1u79 n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u79 n GLY 100 N 1.02 1.11 0.18 2.72 0.00 0.89 -2.14 105.19 108.98 1u79 n GLY 100 Ca 0.18 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1u79 n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u79 h ASP 101 N 4.37 0.00 0.63 1.61 3.45 -1.93 0.21 116.42 124.75 1u79 h ASP 101 Ca 0.00 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.26 1u79 h ASP 101 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1u79 h ASP 101 CO 0.00 0.00 -0.89 -0.09 -1.57 0.00 0.00 179.24 176.69 1u79 h ARG 102 N 0.00 0.17 0.00 3.56 2.43 -1.91 -3.40 114.38 115.22 1u79 h ARG 102 Ca 0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1u79 h ARG 102 Cb 0.54 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1u79 h ARG 102 CO 0.00 0.95 0.00 0.41 -1.51 0.00 0.00 179.97 179.82 1u79 n GLY 103 N 0.91 -1.72 3.15 2.80 0.00 -0.91 -4.60 105.19 104.83 1u79 n GLY 103 Ca -0.03 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 1u79 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u79 s ALA 104 N -1.29 1.05 -0.71 4.61 0.00 0.03 -4.89 121.76 120.57 1u79 s ALA 104 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1u79 s ALA 104 Cb 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.16 1u79 s ALA 104 CO 0.00 0.10 0.22 0.41 0.00 0.00 0.00 175.76 176.50 1u79 n GLY 105 N 1.21 -0.17 0.00 0.00 0.00 -1.26 -3.30 105.19 101.67 1u79 n GLY 105 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.61 0.00 -0.07 0.00 0.00 -1.25 -4.90 118.16 111.33 1u79 n LYS 107 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1u79 n LYS 107 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1u79 n LYS 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1u79 h GLY 108 N 0.00 0.00 0.00 3.14 0.00 -2.04 -3.47 103.07 100.70 1u79 h GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u79 h GLY 108 CO 0.00 0.00 -0.79 0.61 0.00 0.00 0.00 176.54 176.36 1u79 n GLY 109 N 1.63 0.00 3.46 4.60 0.00 -1.26 -5.08 105.19 108.53 1u79 n GLY 109 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1u79 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u79 s SER 110 N -4.06 3.63 0.01 1.61 0.01 -1.26 -5.15 113.70 108.49 1u79 s SER 110 Ca 0.00 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.56 1u79 s SER 110 Cb 0.00 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1u79 s SER 110 CO 0.00 0.13 -0.19 0.00 0.41 0.00 0.00 173.24 173.59 1u79 h LEU 112 N 4.93 0.00 -7.77 0.00 5.85 -1.79 -3.38 115.31 113.16 1u79 h LEU 112 Ca -0.47 -0.24 -0.77 0.00 0.84 0.00 0.00 57.88 57.24 1u79 h LEU 112 Cb 1.15 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.94 1u79 h LEU 112 CO 0.48 0.89 0.47 -0.63 -0.34 0.00 0.00 178.44 179.30 1u79 s ILE 113 N -2.09 5.52 0.92 4.05 1.01 -1.21 -5.00 121.20 124.40 1u79 s ILE 113 Ca -0.15 -2.62 -0.12 0.00 0.00 0.00 0.00 60.65 57.76 1u79 s ILE 113 Cb 0.02 -4.61 0.08 0.00 0.01 0.00 0.00 42.46 37.95 1u79 s ILE 113 CO 0.31 -1.22 0.73 -2.65 0.00 0.00 0.00 174.94 172.10 1u79 n PRO 114 N 4.22 -0.30 -1.62 2.79 -0.02 -1.26 -0.79 135.00 138.02 1u79 n PRO 114 Ca 0.21 -0.03 -0.38 0.00 -2.02 0.00 0.00 63.50 61.28 1u79 n PRO 114 Cb 0.45 -2.08 0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1u79 n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1u79 n PRO 115 N -2.67 0.97 -2.72 0.52 -0.02 -1.26 -2.85 135.00 126.96 1u79 n PRO 115 Ca 0.09 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 1u79 n PRO 115 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.57 -0.82 -2.51 3.55 0.00 0.06 -4.93 120.51 114.28 1u79 n ALA 116 Ca 0.13 0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 1u79 n ALA 116 Cb 0.46 -2.57 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 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 -2.32 7.04 0.14 0.00 0.01 -1.13 -4.71 113.70 112.72 1u79 s SER 117 Ca 0.14 1.25 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 1u79 s SER 117 Cb -0.07 -2.40 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 1u79 s SER 117 CO 0.17 0.03 0.90 -0.69 0.41 0.00 0.00 173.24 174.06 1u79 s VAL 118 N 0.08 4.42 -0.04 3.43 1.01 -1.26 -3.55 120.40 124.49 1u79 s VAL 118 Ca 0.35 1.96 0.02 0.00 0.00 0.00 0.00 61.98 64.30 1u79 s VAL 118 Cb -0.19 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1u79 s VAL 118 CO 0.19 0.40 -0.09 -0.76 0.00 0.00 0.00 175.10 174.84 1u79 s LEU 119 N -0.45 3.06 -0.14 3.92 1.43 -0.43 -4.20 118.68 121.87 1u79 s LEU 119 Ca 0.43 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1u79 s LEU 119 Cb -0.23 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1u79 s LEU 119 CO 0.29 0.34 -0.15 -0.76 0.23 0.00 0.00 176.35 176.29 1u79 s LEU 120 N -0.96 2.55 0.01 1.79 1.43 -0.02 -0.54 118.68 122.93 1u79 s LEU 120 Ca 0.13 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1u79 s LEU 120 Cb -0.11 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1u79 s LEU 120 CO 0.03 0.12 -0.13 -0.36 0.23 0.00 0.00 176.35 176.24 1u79 s PHE 121 N 0.59 1.18 -0.26 0.29 0.40 -0.47 0.20 117.98 119.90 1u79 s PHE 121 Ca -0.09 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1u79 s PHE 121 Cb -0.16 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.65 1u79 s PHE 121 CO 0.03 0.00 -0.00 -0.51 0.70 0.00 0.00 175.22 175.44 1u79 s ASP 122 N -0.67 4.62 -0.13 1.36 1.11 -0.65 -0.32 116.67 121.98 1u79 s ASP 122 Ca 0.03 -0.72 -0.02 0.00 0.18 0.00 0.00 52.55 52.03 1u79 s ASP 122 Cb -0.06 -1.76 -0.02 0.00 1.07 0.00 0.00 42.92 42.15 1u79 s ASP 122 CO 0.00 -0.13 -0.08 -0.63 1.18 0.00 0.00 175.17 175.51 1u79 s ILE 123 N 1.42 3.48 -0.38 0.77 1.01 0.17 -2.30 121.20 125.36 1u79 s ILE 123 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1u79 s ILE 123 Cb -0.16 -2.49 0.09 0.00 0.01 0.00 0.00 42.46 39.91 1u79 s ILE 123 CO -0.02 0.52 0.17 -1.61 0.00 0.00 0.00 174.94 174.00 1u79 s GLU 124 N 0.24 2.27 -0.79 2.79 0.41 -0.13 -0.75 118.70 122.74 1u79 s GLU 124 Ca -0.06 -1.59 -0.25 0.00 -0.41 0.00 0.00 54.97 52.67 1u79 s GLU 124 Cb -0.15 -3.54 0.05 0.00 -1.78 0.00 0.00 34.13 28.71 1u79 s GLU 124 CO 0.04 -0.93 1.25 -0.47 -0.49 0.00 0.00 175.26 174.66 1u79 s TYR 125 N 1.24 2.44 0.15 1.61 6.04 -0.50 -1.65 117.35 126.69 1u79 s TYR 125 Ca 0.04 -0.37 -0.09 0.00 0.04 0.00 0.00 57.07 56.69 1u79 s TYR 125 Cb -0.22 -4.57 -0.02 0.00 -1.04 0.00 0.00 41.96 36.12 1u79 s TYR 125 CO -0.02 -1.94 1.45 0.82 -1.54 0.00 0.00 175.55 174.32 1u79 h ILE 126 N 6.16 1.28 0.00 3.14 1.08 -1.54 0.33 117.51 127.97 1u79 h ILE 126 Ca -0.16 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 1u79 h ILE 126 Cb 1.04 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1u79 h ILE 126 CO 1.28 0.55 0.00 0.61 -0.69 0.00 0.00 178.15 179.91 1u79 n GLY 127 N 0.27 0.34 0.00 5.37 0.00 -1.09 -4.05 105.19 106.03 1u79 n GLY 127 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -0.05 1.61 4.76 -1.26 -0.55 118.16 122.67 1u79 n LYS 128 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1u79 n LYS 128 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1u79 n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03