#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 1.33 0.34 1.69 0.00 -1.26 -4.98 107.32 104.43 1wa7 s GLY 10 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.63 1wa7 s GLY 10 CO 0.00 2.53 0.50 0.99 0.00 0.00 0.00 173.10 177.12 1wa7 s ASP 11 N 2.76 6.08 -0.10 1.64 1.01 -1.24 -4.91 116.67 121.92 1wa7 s ASP 11 Ca 0.53 0.07 -0.02 0.00 0.71 0.00 0.00 52.55 53.85 1wa7 s ASP 11 Cb -0.13 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1wa7 s ASP 11 CO 0.26 -0.37 -0.02 -0.51 0.21 0.00 0.00 175.17 174.74 1wa7 s ILE 12 N -2.22 4.13 0.17 0.77 1.10 -1.26 -1.51 121.20 122.38 1wa7 s ILE 12 Ca 0.42 -0.31 0.04 0.00 -0.51 0.00 0.00 60.65 60.29 1wa7 s ILE 12 Cb -0.09 -2.74 -0.05 0.00 0.15 0.00 0.00 42.46 39.72 1wa7 s ILE 12 CO 0.33 0.58 -0.07 0.68 -2.11 0.00 0.00 174.94 174.35 1wa7 s VAL 13 N -0.60 1.07 -0.03 4.00 -7.23 -0.48 -4.27 120.40 112.86 1wa7 s VAL 13 Ca 0.10 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1wa7 s VAL 13 Cb -0.12 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1wa7 s VAL 13 CO 0.02 -0.63 -0.25 0.54 -0.31 0.00 0.00 175.10 174.48 1wa7 s VAL 14 N -3.40 1.95 0.18 1.32 0.11 0.42 -0.43 120.40 120.57 1wa7 s VAL 14 Ca 0.20 -1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 57.90 1wa7 s VAL 14 Cb 0.04 -1.63 -0.08 0.00 -1.53 0.00 0.00 36.38 33.18 1wa7 s VAL 14 CO 0.03 0.55 1.24 0.00 -3.33 0.00 0.00 175.10 173.59 1wa7 s ALA 15 N -0.50 3.47 -0.07 1.54 0.00 0.55 -0.54 121.76 126.20 1wa7 s ALA 15 Ca 0.07 1.01 0.21 0.00 0.00 0.00 0.00 51.96 53.26 1wa7 s ALA 15 Cb -0.10 -3.44 -0.31 0.00 0.00 0.00 0.00 23.12 19.27 1wa7 s ALA 15 CO -0.00 -0.44 0.44 1.28 0.00 0.00 0.00 175.76 177.04 1wa7 n LEU 16 N 2.62 0.05 -3.79 0.00 4.77 -0.77 0.29 117.00 120.17 1wa7 n LEU 16 Ca 0.05 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1wa7 n LEU 16 Cb 0.44 0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1wa7 n LEU 16 CO 0.57 0.08 -0.02 -0.31 -1.33 0.00 0.00 177.39 176.37 1wa7 s TYR 17 N -3.34 -0.09 0.61 -1.77 1.51 -1.25 -4.46 117.35 108.57 1wa7 s TYR 17 Ca -0.08 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 55.82 1wa7 s TYR 17 Cb 0.12 0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 42.00 1wa7 s TYR 17 CO 0.89 -0.43 1.26 -1.25 -1.11 0.00 0.00 175.55 174.91 1wa7 s PRO 18 N -1.98 2.83 0.61 -1.71 0.04 -1.25 -4.05 135.00 129.49 1wa7 s PRO 18 Ca -0.09 1.96 0.08 0.00 0.04 0.00 0.00 61.00 62.99 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 -0.00 -1.35 0.84 -0.47 0.04 0.00 0.00 177.00 176.06 1wa7 s TYR 19 N -1.48 1.32 -0.90 0.56 5.04 0.80 -4.92 117.35 117.77 1wa7 s TYR 19 Ca 0.79 -0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 54.72 1wa7 s TYR 19 Cb -0.34 -2.31 0.22 0.00 0.35 0.00 0.00 41.96 39.88 1wa7 s TYR 19 CO 0.37 -1.30 0.79 -0.25 -1.34 0.00 0.00 175.55 173.82 1wa7 n ASP 20 N -2.36 4.20 -4.55 4.32 8.00 -1.26 -4.73 116.55 120.17 1wa7 n ASP 20 Ca 0.16 -3.14 -0.26 0.00 0.71 0.00 0.00 54.79 52.26 1wa7 n ASP 20 Cb 0.62 -1.04 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 1wa7 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wa7 n GLY 21 N 2.26 -0.06 0.16 0.44 0.00 -1.26 -4.58 105.19 102.14 1wa7 n GLY 21 Ca 0.22 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 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 8.10 0.87 -1.83 -0.61 2.08 -1.26 -4.99 119.36 121.71 1wa7 n ILE 22 Ca 0.46 -0.31 -0.31 0.00 0.56 0.00 0.00 62.75 63.15 1wa7 n ILE 22 Cb 0.43 -1.17 0.02 0.00 -0.75 0.00 0.00 39.64 38.17 1wa7 n ILE 22 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1wa7 s HIS 23 N -2.30 3.35 -0.52 1.39 3.76 -1.26 -4.93 115.29 114.78 1wa7 s HIS 23 Ca -0.21 1.38 0.22 0.00 -0.15 0.00 0.00 55.06 56.31 1wa7 s HIS 23 Cb 0.06 -2.82 0.95 0.00 1.11 0.00 0.00 32.58 31.88 1wa7 s HIS 23 CO 0.33 -0.90 1.68 -0.35 -0.85 0.00 0.00 174.74 174.66 1wa7 n PRO 24 N -2.70 0.17 -0.00 8.40 -0.04 -1.26 -2.85 135.00 136.72 1wa7 n PRO 24 Ca 0.07 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.98 1wa7 n PRO 24 Cb 0.54 -1.84 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.16 1.31 -4.73 3.54 2.03 -1.26 -5.01 116.55 110.27 1wa7 n ASP 25 Ca 0.02 -0.45 -0.42 0.00 0.52 0.00 0.00 54.79 54.45 1wa7 n ASP 25 Cb 0.22 1.14 -0.01 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 -1.41 3.32 -4.62 1.67 8.00 -1.13 -3.36 116.55 119.02 1wa7 n ASP 26 Ca 0.00 1.19 -0.39 0.00 0.71 0.00 0.00 54.79 56.31 1wa7 n ASP 26 Cb 0.17 -1.54 -0.09 0.00 -0.02 0.00 0.00 41.12 39.64 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 -1.03 4.06 0.26 0.64 1.98 -1.19 -4.70 118.68 118.71 1wa7 s LEU 27 Ca 0.59 0.33 -0.29 0.00 -2.89 0.00 0.00 54.13 51.87 1wa7 s LEU 27 Cb -0.54 -2.44 -0.09 0.00 0.66 0.00 0.00 46.19 43.79 1wa7 s LEU 27 CO 0.58 -0.16 0.94 -0.44 -1.89 0.00 0.00 176.35 175.38 1wa7 s SER 28 N 1.50 7.56 0.06 3.68 0.01 -1.26 -4.77 113.70 120.48 1wa7 s SER 28 Ca 0.16 1.92 -0.08 0.00 1.31 0.00 0.00 55.95 59.25 1wa7 s SER 28 Cb -0.15 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.47 1wa7 s SER 28 CO 0.09 0.09 0.16 0.72 0.41 0.00 0.00 173.24 174.71 1wa7 s PHE 29 N -1.31 0.16 0.47 2.43 -0.12 -1.26 -4.95 117.98 113.40 1wa7 s PHE 29 Ca 0.44 -0.51 0.06 0.00 -0.05 0.00 0.00 56.93 56.87 1wa7 s PHE 29 Cb -0.24 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1wa7 s PHE 29 CO 0.30 -0.47 0.32 0.15 -0.05 0.00 0.00 175.22 175.46 1wa7 s LYS 30 N -3.26 2.31 0.60 1.99 1.02 -1.26 -0.14 119.74 121.01 1wa7 s LYS 30 Ca 0.00 -1.86 -0.18 0.00 0.02 0.00 0.00 55.97 53.96 1wa7 s LYS 30 Cb 0.02 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1wa7 s LYS 30 CO -0.08 -0.35 1.16 -1.59 -0.92 0.00 0.00 175.35 173.57 1wa7 s LYS 31 N -4.12 2.98 0.00 1.68 0.00 -1.26 -2.27 119.74 116.76 1wa7 s LYS 31 Ca 0.39 1.65 0.00 0.00 0.00 0.00 0.00 55.97 58.01 1wa7 s LYS 31 Cb -0.00 -1.95 0.00 0.00 0.00 0.00 0.00 37.83 35.87 1wa7 s LYS 31 CO 0.23 -1.15 0.00 0.41 0.00 0.00 0.00 175.35 174.83 1wa7 n GLY 32 N 0.15 1.42 3.76 0.59 0.00 0.82 -4.89 105.19 107.04 1wa7 n GLY 32 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.09 4.65 -0.02 1.61 2.12 -0.96 -4.69 118.70 121.32 1wa7 s GLU 33 Ca 0.00 1.73 -0.15 0.00 0.36 0.00 0.00 54.97 56.91 1wa7 s GLU 33 Cb 0.00 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 1wa7 s GLU 33 CO 0.00 0.24 0.40 0.21 -0.54 0.00 0.00 175.26 175.57 1wa7 s LYS 34 N -1.48 3.95 0.06 4.30 2.20 -1.26 0.20 119.74 127.71 1wa7 s LYS 34 Ca 0.45 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1wa7 s LYS 34 Cb -0.30 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1wa7 s LYS 34 CO 0.38 0.63 -0.08 -1.64 -0.36 0.00 0.00 175.35 174.28 1wa7 s MET 35 N -0.86 0.62 -0.21 4.03 -1.94 0.43 -3.64 119.30 117.73 1wa7 s MET 35 Ca 0.23 -0.88 -0.07 0.00 -1.71 0.00 0.00 55.69 53.27 1wa7 s MET 35 Cb -0.16 -0.35 -0.03 0.00 2.01 0.00 0.00 34.83 36.30 1wa7 s MET 35 CO 0.12 0.06 0.05 0.21 -0.01 0.00 0.00 175.02 175.45 1wa7 s LYS 36 N -1.97 3.74 0.03 2.03 2.36 -0.97 -1.38 119.74 123.58 1wa7 s LYS 36 Ca -0.05 -0.45 -0.28 0.00 -2.55 0.00 0.00 55.97 52.64 1wa7 s LYS 36 Cb -0.08 -3.21 -0.04 0.00 -1.05 0.00 0.00 37.83 33.45 1wa7 s LYS 36 CO -0.00 0.02 0.88 0.08 1.55 0.00 0.00 175.35 177.88 1wa7 s VAL 37 N 1.03 4.77 -0.13 4.02 1.01 -0.57 0.03 120.40 130.57 1wa7 s VAL 37 Ca 0.03 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 1wa7 s VAL 37 Cb -0.14 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 1wa7 s VAL 37 CO 0.03 0.27 -0.13 0.18 0.00 0.00 0.00 175.10 175.45 1wa7 n LEU 38 N 3.32 2.48 -3.45 3.92 4.77 -0.97 -3.64 117.00 123.42 1wa7 n LEU 38 Ca 0.02 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1wa7 n LEU 38 Cb 0.50 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1wa7 n LEU 38 CO 0.50 0.60 -0.31 -1.61 -1.33 0.00 0.00 177.39 175.24 1wa7 s GLU 39 N -2.25 0.83 -0.17 3.23 2.02 -1.25 -4.82 118.70 116.30 1wa7 s GLU 39 Ca -0.17 -1.83 -0.29 0.00 0.02 0.00 0.00 54.97 52.69 1wa7 s GLU 39 Cb 0.05 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 1wa7 s GLU 39 CO 0.28 -1.30 1.68 -2.00 0.02 0.00 0.00 175.26 173.93 1wa7 s GLU 40 N 0.43 3.87 0.00 1.61 2.12 -1.26 -3.77 118.70 121.69 1wa7 s GLU 40 Ca 0.26 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.45 1wa7 s GLU 40 Cb -0.08 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.26 1wa7 s GLU 40 CO -0.11 -1.22 0.00 0.72 -0.54 0.00 0.00 175.26 174.12 1wa7 n HIS 41 N 8.28 0.00 0.00 5.30 8.25 -1.26 -5.00 115.22 130.79 1wa7 n HIS 41 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1wa7 n HIS 41 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 4.33 0.46 0.00 -1.41 0.00 -1.26 -4.94 105.19 102.37 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 1.18 0.00 0.00 0.00 173.32 174.50 1wa7 n GLU 43 N -0.23 0.59 -3.65 1.61 1.02 -1.26 -5.02 120.64 113.70 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1wa7 n GLU 43 Cb 0.00 -0.05 -0.14 0.00 -0.02 0.00 0.00 31.44 31.23 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wa7 s TRP 44 N -0.02 1.48 0.26 -0.32 0.52 -1.26 -0.81 118.94 118.78 1wa7 s TRP 44 Ca 0.00 -1.91 -0.18 0.00 0.02 0.00 0.00 56.10 54.03 1wa7 s TRP 44 Cb 0.00 -1.54 -0.08 0.00 -1.15 0.00 0.00 33.47 30.70 1wa7 s TRP 44 CO 0.00 -0.83 0.72 -1.58 0.02 0.00 0.00 176.95 175.29 1wa7 s TRP 45 N 1.04 3.54 -0.50 -1.98 0.51 0.37 -4.40 118.94 117.53 1wa7 s TRP 45 Ca 0.15 1.32 -0.19 0.00 -2.12 0.00 0.00 56.10 55.25 1wa7 s TRP 45 Cb -0.21 -2.58 0.06 0.00 -0.81 0.00 0.00 33.47 29.92 1wa7 s TRP 45 CO -0.10 0.25 0.62 0.21 -0.51 0.00 0.00 176.95 177.42 1wa7 s LYS 46 N -2.35 3.13 0.24 4.98 2.20 -1.25 0.31 119.74 127.00 1wa7 s LYS 46 Ca 0.47 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1wa7 s LYS 46 Cb -0.14 -4.09 0.03 0.00 -1.51 0.00 0.00 37.83 32.13 1wa7 s LYS 46 CO 0.20 -1.20 0.28 0.00 -0.36 0.00 0.00 175.35 174.27 1wa7 n ALA 47 N 6.15 0.46 -3.57 3.13 0.00 -0.47 -2.30 120.51 123.91 1wa7 n ALA 47 Ca -0.06 -0.89 -0.28 0.00 0.00 0.00 0.00 53.44 52.21 1wa7 n ALA 47 Cb 0.46 0.29 -0.17 0.00 0.00 0.00 0.00 19.45 20.03 1wa7 n ALA 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wa7 s LYS 48 N -3.05 2.15 0.01 0.00 1.02 0.10 -2.26 119.74 117.71 1wa7 s LYS 48 Ca 0.21 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 1wa7 s LYS 48 Cb -0.02 -1.80 -0.06 0.00 -0.52 0.00 0.00 37.83 35.44 1wa7 s LYS 48 CO 0.13 -0.02 1.38 0.45 -0.92 0.00 0.00 175.35 176.38 1wa7 s SER 49 N 0.86 6.87 0.00 2.83 0.15 0.81 -2.29 113.70 122.93 1wa7 s SER 49 Ca -0.09 2.11 0.16 0.00 0.70 0.00 0.00 55.95 58.82 1wa7 s SER 49 Cb -0.15 -2.56 0.71 0.00 -1.71 0.00 0.00 66.02 62.31 1wa7 s SER 49 CO 0.01 -0.70 1.49 -0.11 1.20 0.00 0.00 173.24 175.13 1wa7 n LEU 50 N 5.23 0.00 0.07 3.45 7.94 -1.24 -1.50 117.00 130.95 1wa7 n LEU 50 Ca 0.13 0.43 -0.12 0.00 -1.11 0.00 0.00 56.01 55.34 1wa7 n LEU 50 Cb 0.44 -0.43 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1wa7 n LEU 50 CO 0.58 -0.20 0.65 0.25 -1.11 0.00 0.00 177.39 177.56 1wa7 h LEU 51 N 0.00 -0.93 -1.97 -1.96 7.12 -1.88 -3.40 115.31 112.28 1wa7 h LEU 51 Ca 0.00 0.12 -0.12 0.00 0.13 0.00 0.00 57.88 58.01 1wa7 h LEU 51 Cb 0.23 0.37 -0.12 0.00 -0.53 0.00 0.00 40.66 40.61 1wa7 h LEU 51 CO 0.00 -0.38 -0.27 1.07 -0.13 0.00 0.00 178.44 178.72 1wa7 n THR 52 N -5.41 0.00 -1.61 1.05 5.66 -1.20 -5.00 114.28 107.77 1wa7 n THR 52 Ca -0.05 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1wa7 n THR 52 Cb 0.32 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 1wa7 n THR 52 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1wa7 n LYS 53 N -0.02 0.00 -3.07 1.09 0.00 -0.56 -5.05 118.16 110.55 1wa7 n LYS 53 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.65 1wa7 n LYS 53 Cb 0.68 -1.80 -0.05 0.00 0.00 0.00 0.00 35.03 33.85 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wa7 s LYS 54 N -3.06 4.42 -0.19 1.64 2.47 -1.03 -4.78 119.74 119.20 1wa7 s LYS 54 Ca 0.00 0.88 0.01 0.00 -1.56 0.00 0.00 55.97 55.30 1wa7 s LYS 54 Cb 0.00 -3.40 0.03 0.00 -1.46 0.00 0.00 37.83 33.00 1wa7 s LYS 54 CO 0.00 0.19 -0.16 -1.83 0.16 0.00 0.00 175.35 173.71 1wa7 s GLU 55 N 0.37 2.55 0.25 4.03 -1.05 -1.26 0.28 118.70 123.87 1wa7 s GLU 55 Ca 0.36 -0.85 -0.19 0.00 -0.15 0.00 0.00 54.97 54.15 1wa7 s GLU 55 Cb -0.18 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 31.04 1wa7 s GLU 55 CO 0.19 -0.31 0.63 0.20 0.95 0.00 0.00 175.26 176.92 1wa7 s GLY 56 N 1.33 0.01 0.16 -3.83 0.00 -0.96 -4.62 107.32 99.41 1wa7 s GLY 56 Ca 0.02 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.07 1wa7 s GLY 56 CO -0.10 -0.21 1.18 -1.36 0.00 0.00 0.00 173.10 172.60 1wa7 s PHE 57 N -3.92 3.46 -0.00 1.90 0.40 -1.21 -1.37 117.98 117.24 1wa7 s PHE 57 Ca 0.13 1.44 0.07 0.00 -0.60 0.00 0.00 56.93 57.97 1wa7 s PHE 57 Cb -0.04 -3.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 1wa7 s PHE 57 CO 0.05 -1.10 -0.23 0.96 0.70 0.00 0.00 175.22 175.60 1wa7 s ILE 58 N 0.10 1.83 0.17 0.64 -4.36 0.90 -3.18 121.20 117.31 1wa7 s ILE 58 Ca 0.53 -1.06 -0.30 0.00 -0.26 0.00 0.00 60.65 59.56 1wa7 s ILE 58 Cb -0.31 -1.53 -0.08 0.00 1.25 0.00 0.00 42.46 41.78 1wa7 s ILE 58 CO 0.35 0.45 1.21 -2.16 0.24 0.00 0.00 174.94 175.04 1wa7 s PRO 59 N -0.71 4.47 0.00 0.37 0.04 -1.26 -0.47 135.00 137.44 1wa7 s PRO 59 Ca 0.09 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1wa7 s PRO 59 Cb -0.09 -3.25 0.26 0.00 0.04 0.00 0.00 34.50 31.47 1wa7 s PRO 59 CO -0.00 -0.13 0.63 -1.13 0.04 0.00 0.00 177.00 176.41 1wa7 n SER 60 N 2.67 0.00 -0.12 6.66 3.41 0.01 -3.06 113.62 123.19 1wa7 n SER 60 Ca 0.05 -0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 58.04 1wa7 n SER 60 Cb 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 1wa7 n SER 60 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wa7 n ASN 61 N -0.77 1.78 0.31 4.04 6.94 -1.26 -4.70 115.26 121.61 1wa7 n ASN 61 Ca 0.03 0.31 -0.19 0.00 -0.02 0.00 0.00 54.58 54.71 1wa7 n ASN 61 Cb 0.02 -0.73 -0.10 0.00 -2.36 0.00 0.00 39.78 36.60 1wa7 n ASN 61 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 1wa7 h TYR 62 N -0.90 -1.42 -4.28 -2.53 0.05 -1.90 -3.43 116.97 102.56 1wa7 h TYR 62 Ca -0.53 0.01 -0.50 0.00 0.05 0.00 0.00 58.73 57.76 1wa7 h TYR 62 Cb 1.45 0.55 0.05 0.00 1.01 0.00 0.00 36.73 39.79 1wa7 h TYR 62 CO -0.13 -0.69 0.39 0.14 -1.05 0.00 0.00 178.16 176.82 1wa7 s VAL 63 N -5.87 4.47 0.13 -2.88 -7.23 -1.25 -1.86 120.40 105.91 1wa7 s VAL 63 Ca -0.18 0.96 0.02 0.00 -1.81 0.00 0.00 61.98 60.97 1wa7 s VAL 63 Cb 0.04 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1wa7 s VAL 63 CO 0.60 -0.89 -0.04 0.00 -0.31 0.00 0.00 175.10 174.47 1wa7 s ALA 64 N -2.90 1.11 -0.88 1.32 0.00 0.30 -4.83 121.76 115.89 1wa7 s ALA 64 Ca 0.58 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 1wa7 s ALA 64 Cb -0.12 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1wa7 s ALA 64 CO 0.45 -0.28 1.62 -1.59 0.00 0.00 0.00 175.76 175.96 1wa7 s LYS 65 N -3.87 3.08 -0.03 0.00 -2.85 -1.26 -0.44 119.74 114.37 1wa7 s LYS 65 Ca 0.17 -0.47 -0.10 0.00 -1.00 0.00 0.00 55.97 54.57 1wa7 s LYS 65 Cb 0.06 -4.92 0.01 0.00 -2.06 0.00 0.00 37.83 30.92 1wa7 s LYS 65 CO -0.01 -2.62 0.21 -1.17 0.10 0.00 0.00 175.35 171.87 1wa7 s LEU 66 N 7.20 1.23 0.00 2.77 0.20 -1.26 -4.90 118.68 123.92 1wa7 s LEU 66 Ca 0.54 0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.41 1wa7 s LEU 66 Cb -0.05 0.88 0.00 0.00 -0.43 0.00 0.00 46.19 46.59 1wa7 s LEU 66 CO 0.02 -0.32 0.00 -3.20 -0.29 0.00 0.00 176.35 172.56 1wa7 n ASN 67 N 1.78 0.00 0.00 3.68 5.15 -1.26 -3.29 115.26 121.32 1wa7 n ASN 67 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1wa7 n ASN 67 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1wa7 n ASN 67 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73