#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa7 s GLY 10 N 0.00 2.76 0.11 2.61 0.00 -1.26 -5.01 107.32 106.52 1wa7 s GLY 10 Ca 0.00 0.62 0.05 0.00 0.00 0.00 0.00 44.72 45.39 1wa7 s GLY 10 CO 0.00 1.05 -0.13 0.99 0.00 0.00 0.00 173.10 175.02 1wa7 s ASP 11 N -1.59 1.75 -0.12 1.64 1.11 -1.22 -5.01 116.67 113.23 1wa7 s ASP 11 Ca 0.54 -0.79 -0.08 0.00 0.18 0.00 0.00 52.55 52.40 1wa7 s ASP 11 Cb -0.20 -0.04 -0.04 0.00 1.07 0.00 0.00 42.92 43.71 1wa7 s ASP 11 CO 0.26 -0.18 0.17 -0.51 1.18 0.00 0.00 175.17 176.09 1wa7 s ILE 12 N -2.15 5.45 0.16 0.77 1.10 -1.26 -1.14 121.20 124.12 1wa7 s ILE 12 Ca 0.06 0.28 0.05 0.00 -0.51 0.00 0.00 60.65 60.53 1wa7 s ILE 12 Cb -0.05 -3.44 -0.04 0.00 0.15 0.00 0.00 42.46 39.07 1wa7 s ILE 12 CO 0.02 0.59 -0.10 0.68 -2.11 0.00 0.00 174.94 174.02 1wa7 s VAL 13 N -0.87 1.20 -0.03 4.00 -7.23 0.08 -3.79 120.40 113.76 1wa7 s VAL 13 Ca 0.15 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 1wa7 s VAL 13 Cb -0.12 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1wa7 s VAL 13 CO 0.04 -0.71 -0.25 0.54 -0.31 0.00 0.00 175.10 174.41 1wa7 s VAL 14 N -3.31 2.00 0.18 1.32 0.11 0.69 0.07 120.40 121.47 1wa7 s VAL 14 Ca 0.18 -1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1wa7 s VAL 14 Cb 0.02 -1.67 -0.08 0.00 -1.53 0.00 0.00 36.38 33.13 1wa7 s VAL 14 CO 0.01 0.56 1.21 0.00 -3.33 0.00 0.00 175.10 173.56 1wa7 s ALA 15 N -0.50 3.44 -0.07 1.54 0.00 0.65 0.01 121.76 126.83 1wa7 s ALA 15 Ca 0.07 0.96 0.21 0.00 0.00 0.00 0.00 51.96 53.20 1wa7 s ALA 15 Cb -0.11 -3.42 -0.31 0.00 0.00 0.00 0.00 23.12 19.28 1wa7 s ALA 15 CO 0.00 -0.39 0.39 1.28 0.00 0.00 0.00 175.76 177.04 1wa7 n LEU 16 N 2.57 0.01 -3.82 0.00 4.77 -0.49 0.27 117.00 120.32 1wa7 n LEU 16 Ca 0.05 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1wa7 n LEU 16 Cb 0.45 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1wa7 n LEU 16 CO 0.56 0.12 -0.07 -0.31 -1.33 0.00 0.00 177.39 176.36 1wa7 s TYR 17 N -3.27 -0.02 0.61 -1.77 2.02 -1.25 -4.42 117.35 109.25 1wa7 s TYR 17 Ca -0.08 -0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 56.32 1wa7 s TYR 17 Cb 0.12 0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.66 1wa7 s TYR 17 CO 0.89 -0.41 1.25 -1.25 -1.57 0.00 0.00 175.55 174.46 1wa7 s PRO 18 N -2.13 2.85 0.60 -1.71 0.04 -1.25 -4.01 135.00 129.38 1wa7 s PRO 18 Ca -0.08 1.94 0.08 0.00 0.04 0.00 0.00 61.00 62.98 1wa7 s PRO 18 Cb -0.03 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.68 1wa7 s PRO 18 CO -0.01 -1.33 0.83 -0.47 0.04 0.00 0.00 177.00 176.05 1wa7 s TYR 19 N -1.50 1.38 -0.91 0.56 5.04 0.88 -4.92 117.35 117.90 1wa7 s TYR 19 Ca 0.79 -0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1wa7 s TYR 19 Cb -0.34 -2.32 0.22 0.00 0.35 0.00 0.00 41.96 39.87 1wa7 s TYR 19 CO 0.36 -1.26 0.80 0.34 -1.34 0.00 0.00 175.55 174.45 1wa7 s ASP 20 N -4.69 6.08 -0.65 4.32 -1.08 -1.26 -4.73 116.67 114.65 1wa7 s ASP 20 Ca 0.63 -3.72 -0.26 0.00 -0.52 0.00 0.00 52.55 48.69 1wa7 s ASP 20 Cb -0.05 -1.93 -0.12 0.00 -1.46 0.00 0.00 42.92 39.36 1wa7 s ASP 20 CO 0.40 -0.19 2.43 0.61 0.52 0.00 0.00 175.17 178.94 1wa7 n GLY 21 N 2.35 -0.01 0.17 2.66 0.00 -1.26 -4.60 105.19 104.50 1wa7 n GLY 21 Ca 0.22 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 1wa7 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wa7 n ILE 22 N 8.18 0.84 -1.89 -0.61 5.41 -1.26 -4.99 119.36 125.04 1wa7 n ILE 22 Ca 0.44 -0.30 -0.32 0.00 1.00 0.00 0.00 62.75 63.57 1wa7 n ILE 22 Cb 0.46 -1.17 0.02 0.00 -0.71 0.00 0.00 39.64 38.24 1wa7 n ILE 22 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1wa7 s HIS 23 N -2.29 3.26 -0.69 1.39 3.76 -1.26 -4.92 115.29 114.54 1wa7 s HIS 23 Ca -0.20 1.42 0.20 0.00 -0.15 0.00 0.00 55.06 56.32 1wa7 s HIS 23 Cb 0.06 -2.86 0.83 0.00 1.11 0.00 0.00 32.58 31.72 1wa7 s HIS 23 CO 0.32 -0.94 1.60 -0.35 -0.85 0.00 0.00 174.74 174.53 1wa7 n PRO 24 N -2.53 0.11 -0.00 8.40 -0.04 -1.26 -2.85 135.00 136.83 1wa7 n PRO 24 Ca 0.07 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 1wa7 n PRO 24 Cb 0.54 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1wa7 n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wa7 n ASP 25 N -1.94 1.65 -4.73 3.54 2.03 -1.26 -5.01 116.55 110.83 1wa7 n ASP 25 Ca 0.03 -0.37 -0.42 0.00 0.52 0.00 0.00 54.79 54.54 1wa7 n ASP 25 Cb 0.20 1.16 -0.00 0.00 -0.72 0.00 0.00 41.12 41.75 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wa7 n ASP 26 N -1.44 3.23 -4.63 1.67 8.00 -1.13 -3.65 116.55 118.60 1wa7 n ASP 26 Ca 0.00 1.21 -0.39 0.00 0.71 0.00 0.00 54.79 56.33 1wa7 n ASP 26 Cb 0.16 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.12 39.63 1wa7 n ASP 26 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wa7 s LEU 27 N -1.44 4.07 0.25 0.64 1.98 -1.22 -4.74 118.68 118.22 1wa7 s LEU 27 Ca 0.55 0.37 -0.29 0.00 -2.89 0.00 0.00 54.13 51.86 1wa7 s LEU 27 Cb -0.53 -2.47 -0.09 0.00 0.66 0.00 0.00 46.19 43.77 1wa7 s LEU 27 CO 0.62 -0.16 0.94 -0.44 -1.89 0.00 0.00 176.35 175.42 1wa7 s SER 28 N 1.45 7.61 0.06 3.68 0.01 -1.26 -4.79 113.70 120.46 1wa7 s SER 28 Ca 0.16 1.93 -0.07 0.00 1.31 0.00 0.00 55.95 59.28 1wa7 s SER 28 Cb -0.15 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 1wa7 s SER 28 CO 0.09 0.14 0.15 0.72 0.41 0.00 0.00 173.24 174.74 1wa7 s PHE 29 N -1.23 0.17 0.46 2.43 -0.12 -1.26 -4.95 117.98 113.48 1wa7 s PHE 29 Ca 0.42 -0.51 0.07 0.00 -0.05 0.00 0.00 56.93 56.86 1wa7 s PHE 29 Cb -0.25 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1wa7 s PHE 29 CO 0.31 -0.44 0.31 0.21 -0.05 0.00 0.00 175.22 175.56 1wa7 s LYS 30 N -3.12 2.32 0.61 1.99 2.20 -1.26 -0.08 119.74 122.40 1wa7 s LYS 30 Ca -0.01 -1.84 -0.18 0.00 -0.36 0.00 0.00 55.97 53.59 1wa7 s LYS 30 Cb 0.02 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.19 1wa7 s LYS 30 CO -0.07 -0.33 1.16 -1.59 -0.36 0.00 0.00 175.35 174.17 1wa7 s LYS 31 N -4.10 2.96 0.00 4.03 -2.85 -1.26 -2.23 119.74 116.30 1wa7 s LYS 31 Ca 0.39 1.66 0.00 0.00 -1.00 0.00 0.00 55.97 57.03 1wa7 s LYS 31 Cb -0.00 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1wa7 s LYS 31 CO 0.23 -1.17 0.00 0.41 0.10 0.00 0.00 175.35 174.92 1wa7 n GLY 32 N 0.18 1.52 3.77 0.59 0.00 0.77 -4.89 105.19 107.13 1wa7 n GLY 32 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1wa7 n GLY 32 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wa7 s GLU 33 N -0.08 4.45 -0.08 1.61 -6.30 -0.94 -4.69 118.70 112.67 1wa7 s GLU 33 Ca 0.00 1.61 -0.11 0.00 -2.50 0.00 0.00 54.97 53.97 1wa7 s GLU 33 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 34.13 31.19 1wa7 s GLU 33 CO 0.00 0.09 0.26 0.21 0.02 0.00 0.00 175.26 175.84 1wa7 s LYS 34 N -1.92 3.72 0.05 4.30 2.20 -1.26 0.24 119.74 127.06 1wa7 s LYS 34 Ca 0.50 0.10 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1wa7 s LYS 34 Cb -0.26 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1wa7 s LYS 34 CO 0.33 0.69 -0.08 -1.64 -0.36 0.00 0.00 175.35 174.29 1wa7 s MET 35 N -0.89 0.60 -0.23 4.03 -1.94 0.11 -3.32 119.30 117.67 1wa7 s MET 35 Ca 0.18 -0.87 -0.07 0.00 -1.71 0.00 0.00 55.69 53.22 1wa7 s MET 35 Cb -0.14 -0.33 -0.03 0.00 2.01 0.00 0.00 34.83 36.34 1wa7 s MET 35 CO 0.08 0.05 0.07 0.21 -0.01 0.00 0.00 175.02 175.42 1wa7 s LYS 36 N -1.96 3.76 -0.33 2.03 2.20 -0.79 -0.74 119.74 123.91 1wa7 s LYS 36 Ca -0.06 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1wa7 s LYS 36 Cb -0.08 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1wa7 s LYS 36 CO -0.00 -0.04 1.00 0.08 -0.36 0.00 0.00 175.35 176.03 1wa7 s VAL 37 N 1.22 4.56 -0.14 4.02 1.01 -0.29 -0.08 120.40 130.69 1wa7 s VAL 37 Ca 0.05 1.53 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 1wa7 s VAL 37 Cb -0.14 -4.36 -0.25 0.00 0.00 0.00 0.00 36.38 31.63 1wa7 s VAL 37 CO 0.03 -0.47 0.27 0.18 0.00 0.00 0.00 175.10 175.12 1wa7 n LEU 38 N 6.77 2.63 -3.51 3.92 4.32 -0.83 -3.40 117.00 126.90 1wa7 n LEU 38 Ca 0.10 0.15 -0.25 0.00 -0.02 0.00 0.00 56.01 56.00 1wa7 n LEU 38 Cb 0.47 -1.04 -0.14 0.00 -1.62 0.00 0.00 43.42 41.10 1wa7 n LEU 38 CO 0.58 0.86 -0.28 -1.61 -1.22 0.00 0.00 177.39 175.72 1wa7 s GLU 39 N -2.55 0.20 -0.28 3.23 2.02 -1.23 -4.84 118.70 115.25 1wa7 s GLU 39 Ca -0.24 -0.29 -0.24 0.00 0.02 0.00 0.00 54.97 54.22 1wa7 s GLU 39 Cb 0.07 -1.15 -0.00 0.00 0.10 0.00 0.00 34.13 33.15 1wa7 s GLU 39 CO 0.74 -0.93 0.83 -1.21 0.02 0.00 0.00 175.26 174.71 1wa7 s GLU 40 N 2.19 4.08 0.00 1.61 2.02 -1.26 -2.96 118.70 124.38 1wa7 s GLU 40 Ca 0.08 0.79 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1wa7 s GLU 40 Cb -0.15 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1wa7 s GLU 40 CO -0.29 -0.61 0.00 0.72 0.02 0.00 0.00 175.26 175.10 1wa7 n HIS 41 N 6.15 0.00 0.00 1.61 8.25 -1.26 -5.01 115.22 124.96 1wa7 n HIS 41 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1wa7 n HIS 41 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1wa7 n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wa7 n GLY 42 N 4.31 0.63 0.00 -1.41 0.00 -1.26 -4.95 105.19 102.52 1wa7 n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wa7 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wa7 n GLU 43 N -0.08 1.20 -3.59 1.61 4.07 -1.26 -5.01 120.64 117.59 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1wa7 n GLU 43 Cb 0.00 -0.11 -0.14 0.00 -0.06 0.00 0.00 31.44 31.13 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1wa7 s TRP 44 N -0.10 1.03 0.14 4.31 0.52 -1.26 -1.56 118.94 122.02 1wa7 s TRP 44 Ca 0.00 -1.55 -0.21 0.00 0.02 0.00 0.00 56.10 54.36 1wa7 s TRP 44 Cb 0.00 -1.25 -0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1wa7 s TRP 44 CO 0.00 -0.83 0.66 -1.58 0.02 0.00 0.00 176.95 175.22 1wa7 s TRP 45 N 1.39 3.78 -0.52 -1.98 0.51 0.14 -4.41 118.94 117.85 1wa7 s TRP 45 Ca 0.13 1.39 -0.24 0.00 -2.12 0.00 0.00 56.10 55.26 1wa7 s TRP 45 Cb -0.20 -2.59 0.04 0.00 -0.81 0.00 0.00 33.47 29.91 1wa7 s TRP 45 CO -0.16 0.50 0.89 0.21 -0.51 0.00 0.00 176.95 177.88 1wa7 s LYS 46 N -1.39 3.34 0.19 4.98 2.20 -1.16 0.27 119.74 128.18 1wa7 s LYS 46 Ca 0.35 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1wa7 s LYS 46 Cb -0.20 -4.03 0.03 0.00 -1.51 0.00 0.00 37.83 32.12 1wa7 s LYS 46 CO 0.22 -1.39 0.21 0.00 -0.36 0.00 0.00 175.35 174.03 1wa7 n ALA 47 N 7.23 0.36 -3.30 3.13 0.00 -0.39 -1.96 120.51 125.58 1wa7 n ALA 47 Ca 0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 1wa7 n ALA 47 Cb 0.47 0.24 -0.16 0.00 0.00 0.00 0.00 19.45 20.00 1wa7 n ALA 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wa7 s LYS 48 N -2.82 1.85 -0.01 0.00 2.20 0.88 -2.21 119.74 119.62 1wa7 s LYS 48 Ca 0.16 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 1wa7 s LYS 48 Cb -0.01 -1.52 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 1wa7 s LYS 48 CO 0.10 0.09 1.10 0.45 -0.36 0.00 0.00 175.35 176.74 1wa7 s SER 49 N 0.47 7.19 0.00 1.43 0.15 0.68 -1.89 113.70 121.73 1wa7 s SER 49 Ca -0.12 1.78 0.18 0.00 0.70 0.00 0.00 55.95 58.48 1wa7 s SER 49 Cb -0.15 -2.57 0.83 0.00 -1.71 0.00 0.00 66.02 62.42 1wa7 s SER 49 CO 0.04 -0.43 1.55 0.18 1.20 0.00 0.00 173.24 175.77 1wa7 n LEU 50 N 4.41 0.00 0.10 3.45 4.77 -1.21 -1.63 117.00 126.89 1wa7 n LEU 50 Ca 0.09 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1wa7 n LEU 50 Cb 0.48 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1wa7 n LEU 50 CO 0.54 -0.16 0.64 0.25 -1.33 0.00 0.00 177.39 177.33 1wa7 h LEU 51 N 0.00 -0.98 -1.81 2.23 5.85 -1.89 -3.40 115.31 115.31 1wa7 h LEU 51 Ca 0.00 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1wa7 h LEU 51 Cb 0.23 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 1wa7 h LEU 51 CO 0.00 -0.42 -0.24 1.07 -0.34 0.00 0.00 178.44 178.52 1wa7 n THR 52 N -5.43 0.00 -1.50 1.05 5.66 -1.22 -5.01 114.28 107.84 1wa7 n THR 52 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1wa7 n THR 52 Cb 0.34 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 1wa7 n THR 52 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1wa7 n LYS 53 N 0.00 0.00 -3.12 1.09 5.02 -0.65 -5.05 118.16 115.45 1wa7 n LYS 53 Ca -0.23 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.67 1wa7 n LYS 53 Cb 0.65 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wa7 s LYS 54 N -2.85 4.40 -0.16 1.97 1.02 -1.10 -4.79 119.74 118.22 1wa7 s LYS 54 Ca 0.00 0.81 0.01 0.00 0.02 0.00 0.00 55.97 56.81 1wa7 s LYS 54 Cb 0.00 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1wa7 s LYS 54 CO 0.00 0.19 -0.18 -1.83 -0.92 0.00 0.00 175.35 172.61 1wa7 s GLU 55 N 0.39 2.71 0.26 1.68 -1.05 -1.26 0.25 118.70 121.68 1wa7 s GLU 55 Ca 0.34 -0.72 -0.20 0.00 -0.15 0.00 0.00 54.97 54.24 1wa7 s GLU 55 Cb -0.18 -2.36 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 1wa7 s GLU 55 CO 0.17 -0.20 0.66 0.20 0.95 0.00 0.00 175.26 177.05 1wa7 s GLY 56 N 1.31 -0.03 0.17 -3.83 0.00 -0.94 -4.60 107.32 99.40 1wa7 s GLY 56 Ca 0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 1wa7 s GLY 56 CO -0.11 -0.17 1.26 -1.36 0.00 0.00 0.00 173.10 172.72 1wa7 s PHE 57 N -3.92 3.34 0.01 1.90 0.40 -1.24 -1.26 117.98 117.21 1wa7 s PHE 57 Ca 0.12 1.28 0.08 0.00 -0.60 0.00 0.00 56.93 57.81 1wa7 s PHE 57 Cb -0.04 -3.52 -0.02 0.00 0.51 0.00 0.00 43.02 39.94 1wa7 s PHE 57 CO 0.05 -1.60 -0.23 0.96 0.70 0.00 0.00 175.22 175.10 1wa7 s ILE 58 N 0.25 1.86 0.74 0.64 -4.36 0.78 -3.46 121.20 117.65 1wa7 s ILE 58 Ca 0.56 -1.14 -0.11 0.00 -0.26 0.00 0.00 60.65 59.70 1wa7 s ILE 58 Cb -0.34 -1.57 0.04 0.00 1.25 0.00 0.00 42.46 41.83 1wa7 s ILE 58 CO 0.36 0.40 1.09 -2.16 0.24 0.00 0.00 174.94 174.86 1wa7 s PRO 59 N -0.88 2.45 0.00 0.37 0.04 -1.26 0.27 135.00 135.99 1wa7 s PRO 59 Ca 0.09 1.15 0.14 0.00 0.04 0.00 0.00 61.00 62.43 1wa7 s PRO 59 Cb -0.09 -1.92 0.53 0.00 0.04 0.00 0.00 34.50 33.06 1wa7 s PRO 59 CO 0.01 -1.49 1.39 -1.13 0.04 0.00 0.00 177.00 175.82 1wa7 n SER 60 N -3.31 1.36 -0.06 6.66 3.41 -0.60 -4.21 113.62 116.86 1wa7 n SER 60 Ca 0.09 -1.82 -0.12 0.00 -0.26 0.00 0.00 58.87 56.76 1wa7 n SER 60 Cb 0.53 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1wa7 n SER 60 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wa7 n ASN 61 N 0.18 1.39 -0.00 4.04 5.15 -1.26 -4.76 115.26 119.99 1wa7 n ASN 61 Ca 0.12 0.23 -0.10 0.00 -0.60 0.00 0.00 54.58 54.23 1wa7 n ASN 61 Cb 0.25 -0.54 -0.07 0.00 -0.53 0.00 0.00 39.78 38.89 1wa7 n ASN 61 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1wa7 h TYR 62 N -0.60 -1.10 -4.24 1.20 0.05 -1.92 -3.42 116.97 106.95 1wa7 h TYR 62 Ca -0.22 0.04 -0.48 0.00 0.05 0.00 0.00 58.73 58.12 1wa7 h TYR 62 Cb 1.00 0.49 0.03 0.00 1.01 0.00 0.00 36.73 39.26 1wa7 h TYR 62 CO -0.15 -0.37 0.39 0.14 -1.05 0.00 0.00 178.16 177.11 1wa7 s VAL 63 N -4.82 4.55 0.15 -2.88 -7.23 -1.26 -1.39 120.40 107.51 1wa7 s VAL 63 Ca -0.10 1.12 0.04 0.00 -1.81 0.00 0.00 61.98 61.22 1wa7 s VAL 63 Cb 0.05 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 1wa7 s VAL 63 CO 0.41 -0.80 -0.09 0.00 -0.31 0.00 0.00 175.10 174.31 1wa7 s ALA 64 N -2.76 1.40 0.52 1.32 0.00 0.10 -4.83 121.76 117.51 1wa7 s ALA 64 Ca 0.58 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1wa7 s ALA 64 Cb -0.10 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 1wa7 s ALA 64 CO 0.37 -0.13 1.03 0.21 0.00 0.00 0.00 175.76 177.24 1wa7 s LYS 65 N -3.77 3.68 -1.30 0.00 2.20 -1.26 -0.22 119.74 119.07 1wa7 s LYS 65 Ca 0.17 1.23 -0.16 0.00 -0.36 0.00 0.00 55.97 56.84 1wa7 s LYS 65 Cb 0.03 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 1wa7 s LYS 65 CO 0.00 -0.51 2.09 -0.11 -0.36 0.00 0.00 175.35 176.46 1wa7 n LEU 66 N -1.41 5.91 -3.58 5.43 0.00 -1.25 -4.78 117.00 117.33 1wa7 n LEU 66 Ca 0.08 -3.84 -0.02 0.00 0.00 0.00 0.00 56.01 52.24 1wa7 n LEU 66 Cb 0.53 -1.58 -0.05 0.00 0.00 0.00 0.00 43.42 42.32 1wa7 n LEU 66 CO 0.43 0.57 0.43 0.21 0.00 0.00 0.00 177.39 179.03 1wa7 s ASN 67 N 3.82 -0.87 0.00 1.96 3.84 -1.26 -5.13 114.94 117.30 1wa7 s ASN 67 Ca 0.51 1.25 0.14 0.00 0.21 0.00 0.00 52.86 54.97 1wa7 s ASN 67 Cb 0.12 1.82 0.11 0.00 -0.55 0.00 0.00 41.25 42.74 1wa7 s ASN 67 CO -0.02 -0.18 0.93 0.41 -2.79 0.00 0.00 177.10 175.46