#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 2.02 -0.02 1.08 0.00 -1.26 -3.86 107.32 105.28 1wa7 s GLY 10 Ca 0.00 -2.46 -0.16 0.00 0.00 0.00 0.00 44.72 42.10 1wa7 s GLY 10 CO 0.00 1.08 0.35 0.99 0.00 0.00 0.00 173.10 175.52 1wa7 s ASP 11 N 2.55 -0.24 -0.12 1.64 1.11 -1.23 -5.04 116.67 115.33 1wa7 s ASP 11 Ca 0.05 0.18 -0.04 0.00 0.18 0.00 0.00 52.55 52.92 1wa7 s ASP 11 Cb -0.26 0.36 -0.04 0.00 1.07 0.00 0.00 42.92 44.06 1wa7 s ASP 11 CO -0.00 -0.45 0.03 -0.63 1.18 0.00 0.00 175.17 175.30 1wa7 s ILE 12 N -1.24 4.57 0.16 0.77 -1.09 -1.26 -1.66 121.20 121.45 1wa7 s ILE 12 Ca -0.13 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1wa7 s ILE 12 Cb -0.05 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.81 1wa7 s ILE 12 CO 0.05 0.56 -0.06 0.68 -1.23 0.00 0.00 174.94 174.93 1wa7 s VAL 13 N -0.42 1.00 -0.04 2.92 -7.23 -1.05 -3.98 120.40 111.60 1wa7 s VAL 13 Ca 0.09 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1wa7 s VAL 13 Cb -0.12 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 1wa7 s VAL 13 CO 0.02 -0.64 -0.25 0.54 -0.31 0.00 0.00 175.10 174.46 1wa7 s VAL 14 N -3.44 2.04 0.15 1.32 0.11 0.88 -1.53 120.40 119.93 1wa7 s VAL 14 Ca 0.19 -1.08 -0.31 0.00 -2.93 0.00 0.00 61.98 57.85 1wa7 s VAL 14 Cb 0.04 -1.71 -0.08 0.00 -1.53 0.00 0.00 36.38 33.10 1wa7 s VAL 14 CO 0.02 0.57 1.36 0.00 -3.33 0.00 0.00 175.10 173.72 1wa7 s ALA 15 N -0.39 3.57 -0.17 1.54 0.00 0.45 -0.02 121.76 126.73 1wa7 s ALA 15 Ca 0.03 1.12 0.16 0.00 0.00 0.00 0.00 51.96 53.28 1wa7 s ALA 15 Cb -0.12 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.24 1wa7 s ALA 15 CO 0.01 -0.59 0.20 1.28 0.00 0.00 0.00 175.76 176.66 1wa7 n LEU 16 N 3.41 0.26 -4.08 0.00 4.77 0.11 0.36 117.00 121.82 1wa7 n LEU 16 Ca 0.09 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 1wa7 n LEU 16 Cb 0.42 0.40 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 1wa7 n LEU 16 CO 0.58 0.48 -0.45 -0.31 -1.33 0.00 0.00 177.39 176.37 1wa7 s TYR 17 N -2.51 1.01 0.61 -1.77 2.02 -1.13 -4.45 117.35 111.12 1wa7 s TYR 17 Ca -0.09 -0.28 -0.19 0.00 -0.37 0.00 0.00 57.07 56.14 1wa7 s TYR 17 Cb 0.06 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1wa7 s TYR 17 CO 0.82 -0.00 1.27 -1.25 -1.57 0.00 0.00 175.55 174.82 1wa7 s PRO 18 N -0.74 2.82 -0.18 -1.71 0.04 -1.26 -4.25 135.00 129.72 1wa7 s PRO 18 Ca 0.02 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1wa7 s PRO 18 Cb -0.06 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1wa7 s PRO 18 CO 0.00 -1.37 -0.04 -0.47 0.04 0.00 0.00 177.00 175.16 1wa7 s TYR 19 N -1.45 1.73 -0.30 0.56 6.14 0.31 -4.93 117.35 119.41 1wa7 s TYR 19 Ca 0.79 -1.18 -0.13 0.00 0.64 0.00 0.00 57.07 57.18 1wa7 s TYR 19 Cb -0.35 -1.32 -0.03 0.00 0.42 0.00 0.00 41.96 40.68 1wa7 s TYR 19 CO 0.38 -0.65 0.29 0.16 0.64 0.00 0.00 175.55 176.37 1wa7 s ASP 20 N 1.62 6.13 -1.00 4.32 1.47 -1.26 -2.32 116.67 125.63 1wa7 s ASP 20 Ca -0.01 -0.06 -0.10 0.00 1.18 0.00 0.00 52.55 53.56 1wa7 s ASP 20 Cb -0.16 -2.17 -0.33 0.00 -0.34 0.00 0.00 42.92 39.92 1wa7 s ASP 20 CO -0.07 -0.19 2.17 0.61 0.68 0.00 0.00 175.17 178.37 1wa7 n GLY 21 N 4.95 -0.49 0.12 2.12 0.00 -1.26 -4.62 105.19 106.00 1wa7 n GLY 21 Ca -0.11 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 5.62 0.00 -4.19 -0.61 -0.00 -1.26 -4.82 119.36 114.10 1wa7 n ILE 22 Ca 0.67 -0.06 -0.08 0.00 -0.00 0.00 0.00 62.75 63.28 1wa7 n ILE 22 Cb 0.14 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.64 39.52 1wa7 n ILE 22 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1wa7 n HIS 23 N -0.70 0.27 0.29 1.39 8.25 -1.26 -5.06 115.22 118.40 1wa7 n HIS 23 Ca 0.23 -0.67 0.12 0.00 -0.26 0.00 0.00 57.72 57.13 1wa7 n HIS 23 Cb 0.17 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.24 1wa7 n HIS 23 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1wa7 n PRO 24 N -0.32 0.48 -0.00 -0.41 -0.04 -1.26 -4.31 135.00 129.14 1wa7 n PRO 24 Ca -0.05 0.08 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1wa7 n PRO 24 Cb 0.17 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 1wa7 n PRO 24 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wa7 n ASP 25 N -2.40 1.01 -4.74 3.54 8.00 -1.26 -5.04 116.55 115.66 1wa7 n ASP 25 Ca 0.01 -0.44 -0.40 0.00 0.71 0.00 0.00 54.79 54.66 1wa7 n ASP 25 Cb 0.51 1.03 0.02 0.00 -0.02 0.00 0.00 41.12 42.65 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wa7 n ASP 26 N -1.17 3.02 -4.63 -2.24 8.00 -1.26 -3.78 116.55 114.48 1wa7 n ASP 26 Ca 0.00 1.12 -0.37 0.00 0.71 0.00 0.00 54.79 56.25 1wa7 n ASP 26 Cb 0.05 -1.56 -0.10 0.00 -0.02 0.00 0.00 41.12 39.49 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 -2.24 4.08 0.20 0.64 1.98 -1.23 -4.65 118.68 117.46 1wa7 s LEU 27 Ca 0.61 0.13 -0.30 0.00 -2.89 0.00 0.00 54.13 51.68 1wa7 s LEU 27 Cb -0.47 -2.19 -0.08 0.00 0.66 0.00 0.00 46.19 44.11 1wa7 s LEU 27 CO 0.58 -0.02 1.04 -0.44 -1.89 0.00 0.00 176.35 175.62 1wa7 s SER 28 N 1.37 7.39 0.04 3.68 0.01 -1.26 -4.73 113.70 120.19 1wa7 s SER 28 Ca 0.09 2.06 -0.05 0.00 1.31 0.00 0.00 55.95 59.35 1wa7 s SER 28 Cb -0.15 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1wa7 s SER 28 CO 0.08 -0.09 0.10 0.72 0.41 0.00 0.00 173.24 174.45 1wa7 s PHE 29 N -0.62 0.20 0.35 2.43 -0.12 -0.98 -4.94 117.98 114.29 1wa7 s PHE 29 Ca 0.46 -0.50 0.08 0.00 -0.05 0.00 0.00 56.93 56.92 1wa7 s PHE 29 Cb -0.28 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 1wa7 s PHE 29 CO 0.35 -0.36 0.16 0.15 -0.05 0.00 0.00 175.22 175.47 1wa7 s LYS 30 N -2.59 2.37 0.67 1.99 1.02 -1.26 0.12 119.74 122.06 1wa7 s LYS 30 Ca -0.05 -1.58 -0.17 0.00 0.02 0.00 0.00 55.97 54.18 1wa7 s LYS 30 Cb -0.01 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1wa7 s LYS 30 CO -0.04 0.06 1.07 0.36 -0.92 0.00 0.00 175.35 175.88 1wa7 n LYS 31 N -1.19 0.78 -0.17 1.68 2.85 -1.26 -0.92 118.16 119.93 1wa7 n LYS 31 Ca -0.02 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1wa7 n LYS 31 Cb 0.62 -2.31 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1wa7 n LYS 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wa7 n GLY 32 N 1.08 1.16 3.77 2.58 0.00 1.11 -4.90 105.19 110.00 1wa7 n GLY 32 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.13 4.20 -0.10 1.61 2.12 -0.09 -4.67 118.70 121.64 1wa7 s GLU 33 Ca 0.00 1.67 -0.09 0.00 0.36 0.00 0.00 54.97 56.90 1wa7 s GLU 33 Cb 0.00 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1wa7 s GLU 33 CO 0.00 -0.15 0.21 0.15 -0.54 0.00 0.00 175.26 174.94 1wa7 s LYS 34 N -2.26 3.63 0.05 4.30 1.02 -1.26 0.17 119.74 125.39 1wa7 s LYS 34 Ca 0.55 0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.59 1wa7 s LYS 34 Cb -0.27 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1wa7 s LYS 34 CO 0.33 0.71 -0.09 -1.64 -0.92 0.00 0.00 175.35 173.74 1wa7 s MET 35 N -0.91 0.62 -0.26 1.68 -1.94 -0.58 -3.65 119.30 114.27 1wa7 s MET 35 Ca 0.17 -0.86 -0.09 0.00 -1.71 0.00 0.00 55.69 53.20 1wa7 s MET 35 Cb -0.13 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.28 1wa7 s MET 35 CO 0.06 0.07 0.12 0.15 -0.01 0.00 0.00 175.02 175.41 1wa7 s LYS 36 N -1.85 3.83 -0.15 2.03 1.02 -0.59 -2.51 119.74 121.51 1wa7 s LYS 36 Ca -0.06 -0.39 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 1wa7 s LYS 36 Cb -0.08 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1wa7 s LYS 36 CO 0.00 -0.14 0.90 0.08 -0.92 0.00 0.00 175.35 175.28 1wa7 s VAL 37 N 1.55 4.84 -0.26 3.17 1.01 -0.66 -0.18 120.40 129.86 1wa7 s VAL 37 Ca 0.06 1.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.77 1wa7 s VAL 37 Cb -0.15 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 31.87 1wa7 s VAL 37 CO 0.07 0.01 -0.26 0.18 0.00 0.00 0.00 175.10 175.10 1wa7 n LEU 38 N 5.21 2.47 -3.37 3.92 4.77 -1.04 -3.53 117.00 125.43 1wa7 n LEU 38 Ca 0.06 0.11 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 1wa7 n LEU 38 Cb 0.49 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 1wa7 n LEU 38 CO 0.50 0.75 -0.15 -0.70 -1.33 0.00 0.00 177.39 176.46 1wa7 s GLU 39 N -2.51 0.43 -0.15 3.23 2.12 -1.26 -3.23 118.70 117.33 1wa7 s GLU 39 Ca -0.36 -0.31 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 1wa7 s GLU 39 Cb 0.12 -0.62 -0.01 0.00 0.26 0.00 0.00 34.13 33.88 1wa7 s GLU 39 CO 0.55 -1.08 1.08 -2.00 -0.54 0.00 0.00 175.26 173.28 1wa7 s GLU 40 N 2.12 4.33 0.00 4.30 -6.30 -1.26 -3.73 118.70 118.16 1wa7 s GLU 40 Ca 0.12 1.46 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1wa7 s GLU 40 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 34.13 30.38 1wa7 s GLU 40 CO -0.24 -0.50 0.00 0.72 0.02 0.00 0.00 175.26 175.26 1wa7 n HIS 41 N 5.71 0.00 0.00 5.30 8.25 -1.26 -4.68 115.22 128.54 1wa7 n HIS 41 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1wa7 n HIS 41 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 4.18 0.37 0.00 -1.41 0.00 -1.26 -4.93 105.19 102.13 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 -0.50 0.33 -3.67 1.61 1.02 -1.26 -5.03 120.64 113.13 1wa7 n GLU 43 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1wa7 n GLU 43 Cb 0.00 -0.03 -0.14 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.00 1.59 0.23 -0.32 0.52 -1.26 -1.43 118.94 118.26 1wa7 s TRP 44 Ca 0.00 -1.92 -0.14 0.00 0.02 0.00 0.00 56.10 54.06 1wa7 s TRP 44 Cb 0.00 -1.62 -0.08 0.00 -1.15 0.00 0.00 33.47 30.63 1wa7 s TRP 44 CO 0.00 -0.83 0.63 -1.58 0.02 0.00 0.00 176.95 175.18 1wa7 s TRP 45 N 1.11 3.50 -0.47 -1.98 0.51 0.02 -4.27 118.94 117.36 1wa7 s TRP 45 Ca 0.14 1.11 -0.19 0.00 -2.12 0.00 0.00 56.10 55.04 1wa7 s TRP 45 Cb -0.21 -2.43 0.04 0.00 -0.81 0.00 0.00 33.47 30.07 1wa7 s TRP 45 CO -0.13 0.28 0.58 0.21 -0.51 0.00 0.00 176.95 177.39 1wa7 s LYS 46 N -2.46 3.14 0.31 4.98 2.20 -1.24 0.30 119.74 126.97 1wa7 s LYS 46 Ca 0.46 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1wa7 s LYS 46 Cb -0.13 -4.04 0.04 0.00 -1.51 0.00 0.00 37.83 32.19 1wa7 s LYS 46 CO 0.20 -1.09 0.33 0.00 -0.36 0.00 0.00 175.35 174.42 1wa7 n ALA 47 N 6.03 0.57 -3.30 3.13 0.00 -0.56 -2.48 120.51 123.91 1wa7 n ALA 47 Ca -0.06 -1.21 -0.27 0.00 0.00 0.00 0.00 53.44 51.91 1wa7 n ALA 47 Cb 0.46 0.42 -0.17 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.35 2.03 -0.01 0.00 2.36 0.74 -2.18 119.74 119.34 1wa7 s LYS 48 Ca 0.25 -0.56 -0.30 0.00 -2.55 0.00 0.00 55.97 52.81 1wa7 s LYS 48 Cb -0.02 -1.64 -0.04 0.00 -1.05 0.00 0.00 37.83 35.08 1wa7 s LYS 48 CO 0.16 0.10 1.10 0.45 1.55 0.00 0.00 175.35 178.72 1wa7 s SER 49 N 0.47 7.19 0.00 1.43 0.15 0.73 -1.54 113.70 122.13 1wa7 s SER 49 Ca -0.14 1.80 0.21 0.00 0.70 0.00 0.00 55.95 58.52 1wa7 s SER 49 Cb -0.16 -2.57 1.00 0.00 -1.71 0.00 0.00 66.02 62.58 1wa7 s SER 49 CO 0.05 -0.43 1.67 0.18 1.20 0.00 0.00 173.24 175.91 1wa7 n LEU 50 N 4.34 0.00 0.06 3.45 4.32 -1.24 -1.66 117.00 126.28 1wa7 n LEU 50 Ca 0.08 0.36 -0.12 0.00 -0.02 0.00 0.00 56.01 56.32 1wa7 n LEU 50 Cb 0.48 -0.36 -0.05 0.00 -1.62 0.00 0.00 43.42 41.87 1wa7 n LEU 50 CO 0.54 -0.11 0.68 0.25 -1.22 0.00 0.00 177.39 177.53 1wa7 h LEU 51 N 0.00 -0.81 -1.87 2.23 5.85 -1.90 -3.40 115.31 115.41 1wa7 h LEU 51 Ca 0.00 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1wa7 h LEU 51 Cb 0.25 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 1wa7 h LEU 51 CO 0.00 -0.34 -0.25 1.07 -0.34 0.00 0.00 178.44 178.57 1wa7 n THR 52 N -5.39 0.00 -1.66 1.05 5.66 -1.23 -5.00 114.28 107.72 1wa7 n THR 52 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1wa7 n THR 52 Cb 0.30 0.44 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 -3.01 1.09 5.02 -0.67 -5.05 118.16 115.55 1wa7 n LYS 53 Ca -0.25 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.65 1wa7 n LYS 53 Cb 0.66 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.86 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 -3.23 4.46 -0.15 1.97 -0.14 -1.05 -4.79 119.74 116.82 1wa7 s LYS 54 Ca 0.00 1.00 0.01 0.00 -1.36 0.00 0.00 55.97 55.62 1wa7 s LYS 54 Cb 0.00 -3.39 0.02 0.00 -1.68 0.00 0.00 37.83 32.78 1wa7 s LYS 54 CO 0.00 0.21 -0.16 -1.21 -0.76 0.00 0.00 175.35 173.43 1wa7 s GLU 55 N 0.24 2.48 0.23 1.68 2.02 -1.26 0.26 118.70 124.35 1wa7 s GLU 55 Ca 0.38 -0.63 -0.21 0.00 0.02 0.00 0.00 54.97 54.53 1wa7 s GLU 55 Cb -0.19 -2.20 0.04 0.00 0.10 0.00 0.00 34.13 31.87 1wa7 s GLU 55 CO 0.21 -0.20 0.66 0.20 0.02 0.00 0.00 175.26 176.15 1wa7 s GLY 56 N 1.36 -0.28 0.17 -1.39 0.00 -0.92 -4.60 107.32 101.66 1wa7 s GLY 56 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 1wa7 s GLY 56 CO -0.10 -0.01 1.30 -1.36 0.00 0.00 0.00 173.10 172.93 1wa7 s PHE 57 N -3.86 3.29 -0.04 1.90 0.08 -1.25 -1.49 117.98 116.61 1wa7 s PHE 57 Ca 0.07 1.20 0.06 0.00 0.12 0.00 0.00 56.93 58.38 1wa7 s PHE 57 Cb -0.04 -3.59 -0.01 0.00 -0.57 0.00 0.00 43.02 38.81 1wa7 s PHE 57 CO -0.01 -1.86 -0.23 0.96 -0.10 0.00 0.00 175.22 173.99 1wa7 s ILE 58 N 0.35 1.85 0.29 0.64 -4.36 0.87 -3.56 121.20 117.28 1wa7 s ILE 58 Ca 0.58 -0.97 -0.29 0.00 -0.26 0.00 0.00 60.65 59.71 1wa7 s ILE 58 Cb -0.36 -1.56 -0.10 0.00 1.25 0.00 0.00 42.46 41.70 1wa7 s ILE 58 CO 0.36 0.52 1.26 -2.16 0.24 0.00 0.00 174.94 175.15 1wa7 s PRO 59 N -0.23 4.43 0.00 0.37 0.04 -1.26 -0.80 135.00 137.55 1wa7 s PRO 59 Ca 0.00 2.08 0.17 0.00 0.04 0.00 0.00 61.00 63.28 1wa7 s PRO 59 Cb -0.12 -3.13 0.99 0.00 0.04 0.00 0.00 34.50 32.28 1wa7 s PRO 59 CO 0.02 -0.10 1.40 0.45 0.04 0.00 0.00 177.00 178.81 1wa7 n SER 60 N 1.35 0.00 -0.12 6.66 2.88 -0.52 -3.29 113.62 120.58 1wa7 n SER 60 Ca 0.01 -0.63 -0.26 0.00 -1.33 0.00 0.00 58.87 56.66 1wa7 n SER 60 Cb 0.43 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.78 1wa7 n SER 60 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wa7 n ASN 61 N -0.95 1.92 0.36 -3.46 6.94 -1.26 -4.60 115.26 114.21 1wa7 n ASN 61 Ca 0.12 0.36 -0.17 0.00 -0.02 0.00 0.00 54.58 54.87 1wa7 n ASN 61 Cb 0.06 -0.88 -0.09 0.00 -2.36 0.00 0.00 39.78 36.51 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 -0.96 -0.83 -4.28 -2.53 0.05 -1.87 -3.44 116.97 103.10 1wa7 h TYR 62 Ca -0.55 -0.02 -0.49 0.00 0.05 0.00 0.00 58.73 57.72 1wa7 h TYR 62 Cb 1.50 0.28 0.04 0.00 1.01 0.00 0.00 36.73 39.56 1wa7 h TYR 62 CO -0.00 -0.50 0.39 0.14 -1.05 0.00 0.00 178.16 177.14 1wa7 s VAL 63 N -5.81 4.52 0.12 -2.88 -7.23 -1.23 0.10 120.40 107.98 1wa7 s VAL 63 Ca -0.17 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1wa7 s VAL 63 Cb 0.03 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1wa7 s VAL 63 CO 0.60 -0.89 0.00 0.00 -0.31 0.00 0.00 175.10 174.50 1wa7 s ALA 64 N -2.88 0.92 0.43 1.32 0.00 0.97 -4.76 121.76 117.76 1wa7 s ALA 64 Ca 0.57 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 1wa7 s ALA 64 Cb -0.11 0.53 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 1wa7 s ALA 64 CO 0.43 -0.38 1.05 0.21 0.00 0.00 0.00 175.76 177.08 1wa7 s LYS 65 N -3.95 4.03 0.00 0.00 2.20 -1.26 -0.08 119.74 120.67 1wa7 s LYS 65 Ca 0.18 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 1wa7 s LYS 65 Cb 0.07 -2.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1wa7 s LYS 65 CO -0.02 -0.26 0.47 -0.11 -0.36 0.00 0.00 175.35 175.08 1wa7 n LEU 66 N -0.38 0.58 0.00 5.43 -0.00 -1.26 -4.76 117.00 116.62 1wa7 n LEU 66 Ca 0.06 0.55 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 1wa7 n LEU 66 Cb 0.50 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1wa7 n LEU 66 CO 0.43 -0.23 0.00 -3.20 -0.00 0.00 0.00 177.39 174.39 1wa7 n ASN 67 N -1.19 0.49 -0.14 1.96 2.85 -1.26 -5.07 115.26 112.89 1wa7 n ASN 67 Ca 0.00 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.62 1wa7 n ASN 67 Cb 0.00 0.00 0.82 0.00 1.24 0.00 0.00 39.78 41.84 1wa7 n ASN 67 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50