#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa7 n GLY 10 N 0.00 1.92 7.00 1.69 0.00 -1.26 -4.16 105.19 110.38 1wa7 n GLY 10 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1wa7 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wa7 n ASP 11 N 0.72 -4.13 -4.73 1.61 8.00 -1.22 -4.63 116.55 112.17 1wa7 n ASP 11 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1wa7 n ASP 11 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1wa7 n ASP 11 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wa7 s ILE 12 N 0.00 3.55 0.17 0.53 -1.09 -1.26 0.20 121.20 123.29 1wa7 s ILE 12 Ca 0.00 1.23 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 1wa7 s ILE 12 Cb 0.00 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1wa7 s ILE 12 CO 0.00 0.16 -0.07 0.68 -1.23 0.00 0.00 174.94 174.48 1wa7 s VAL 13 N 0.35 1.12 -0.03 2.92 -7.23 0.56 -3.99 120.40 114.09 1wa7 s VAL 13 Ca 0.56 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 1wa7 s VAL 13 Cb -0.33 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1wa7 s VAL 13 CO 0.35 -0.64 -0.25 0.54 -0.31 0.00 0.00 175.10 174.78 1wa7 s VAL 14 N -3.36 2.02 0.17 1.32 0.11 0.96 0.14 120.40 121.76 1wa7 s VAL 14 Ca 0.20 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 1wa7 s VAL 14 Cb 0.03 -1.69 -0.08 0.00 -1.53 0.00 0.00 36.38 33.11 1wa7 s VAL 14 CO 0.03 0.57 1.24 0.00 -3.33 0.00 0.00 175.10 173.60 1wa7 s ALA 15 N -0.42 3.46 -0.77 1.54 0.00 0.62 0.42 121.76 126.61 1wa7 s ALA 15 Ca 0.04 0.99 0.22 0.00 0.00 0.00 0.00 51.96 53.21 1wa7 s ALA 15 Cb -0.11 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.38 1wa7 s ALA 15 CO 0.01 -0.44 0.86 1.28 0.00 0.00 0.00 175.76 177.47 1wa7 n LEU 16 N 2.81 0.74 -3.51 0.00 4.77 0.25 0.25 117.00 122.32 1wa7 n LEU 16 Ca 0.06 -0.33 -0.15 0.00 -0.03 0.00 0.00 56.01 55.56 1wa7 n LEU 16 Cb 0.44 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1wa7 n LEU 16 CO 0.56 0.17 0.36 -0.31 -1.33 0.00 0.00 177.39 176.85 1wa7 s TYR 17 N -3.12 -0.53 0.57 -1.77 2.02 -1.25 -4.57 117.35 108.70 1wa7 s TYR 17 Ca 0.05 0.63 -0.20 0.00 -0.37 0.00 0.00 57.07 57.18 1wa7 s TYR 17 Cb 0.16 0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 42.10 1wa7 s TYR 17 CO 0.86 -0.69 1.24 -1.25 -1.57 0.00 0.00 175.55 174.13 1wa7 s PRO 18 N -2.45 3.10 0.59 -1.71 0.04 -1.25 -3.91 135.00 129.41 1wa7 s PRO 18 Ca -0.05 1.92 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1wa7 s PRO 18 Cb -0.01 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1wa7 s PRO 18 CO -0.01 -1.13 0.82 -0.47 0.04 0.00 0.00 177.00 176.24 1wa7 s TYR 19 N -1.51 1.65 -0.91 0.56 5.04 0.98 -4.91 117.35 118.25 1wa7 s TYR 19 Ca 0.75 -0.55 -0.02 0.00 -2.44 0.00 0.00 57.07 54.81 1wa7 s TYR 19 Cb -0.33 -2.45 0.23 0.00 0.35 0.00 0.00 41.96 39.77 1wa7 s TYR 19 CO 0.37 -1.21 0.85 -3.47 -1.34 0.00 0.00 175.55 170.74 1wa7 n ASP 20 N -2.36 4.39 -4.49 4.32 -0.08 -1.26 -4.73 116.55 112.35 1wa7 n ASP 20 Ca 0.14 -3.16 -0.14 0.00 -1.51 0.00 0.00 54.79 50.13 1wa7 n ASP 20 Cb 0.61 -1.07 -0.11 0.00 2.34 0.00 0.00 41.12 42.90 1wa7 n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wa7 n GLY 21 N 2.20 -0.29 0.64 0.27 0.00 -1.26 -4.52 105.19 102.23 1wa7 n GLY 21 Ca 0.23 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.49 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 7.74 0.00 -4.45 -0.61 5.41 -1.26 -4.96 119.36 121.23 1wa7 n ILE 22 Ca 0.44 -0.48 -0.24 0.00 1.00 0.00 0.00 62.75 63.47 1wa7 n ILE 22 Cb 0.39 1.33 -0.10 0.00 -0.71 0.00 0.00 39.64 40.55 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 -1.45 2.25 0.05 1.39 3.76 -1.26 -5.02 115.29 115.01 1wa7 s HIS 23 Ca 0.19 -0.35 0.33 0.00 -0.15 0.00 0.00 55.06 55.07 1wa7 s HIS 23 Cb 0.14 -1.02 1.44 0.00 1.11 0.00 0.00 32.58 34.26 1wa7 s HIS 23 CO 0.23 0.64 1.97 -1.00 -0.85 0.00 0.00 174.74 175.73 1wa7 h PRO 24 N 2.55 0.00 0.00 8.40 0.13 -2.01 -2.99 132.00 138.08 1wa7 h PRO 24 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1wa7 h PRO 24 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wa7 h PRO 24 CO 0.57 0.00 -0.77 -0.25 -0.23 0.00 0.00 178.00 177.32 1wa7 n ASP 25 N -2.86 1.31 -4.73 1.44 9.92 -1.26 -5.01 116.55 115.37 1wa7 n ASP 25 Ca 0.00 -0.45 -0.42 0.00 -0.53 0.00 0.00 54.79 53.39 1wa7 n ASP 25 Cb 0.24 1.15 -0.01 0.00 -0.64 0.00 0.00 41.12 41.86 1wa7 n ASP 25 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wa7 n ASP 26 N -1.42 3.29 -4.62 -2.24 8.00 -1.13 -3.72 116.55 114.71 1wa7 n ASP 26 Ca 0.00 1.21 -0.38 0.00 0.71 0.00 0.00 54.79 56.33 1wa7 n ASP 26 Cb 0.17 -1.55 -0.09 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 -1.30 4.06 0.25 0.64 1.98 -1.22 -4.75 118.68 118.35 1wa7 s LEU 27 Ca 0.56 0.26 -0.29 0.00 -2.89 0.00 0.00 54.13 51.78 1wa7 s LEU 27 Cb -0.53 -2.36 -0.09 0.00 0.66 0.00 0.00 46.19 43.87 1wa7 s LEU 27 CO 0.61 -0.12 0.93 -0.44 -1.89 0.00 0.00 176.35 175.44 1wa7 s SER 28 N 1.48 7.57 0.06 3.68 0.01 -1.26 -4.77 113.70 120.47 1wa7 s SER 28 Ca 0.14 1.91 -0.08 0.00 1.31 0.00 0.00 55.95 59.23 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 0.12 0.15 0.72 0.41 0.00 0.00 173.24 174.73 1wa7 s PHE 29 N -1.27 0.17 0.47 2.43 -0.12 -1.26 -4.95 117.98 113.45 1wa7 s PHE 29 Ca 0.43 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.84 1wa7 s PHE 29 Cb -0.24 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.04 1wa7 s PHE 29 CO 0.30 -0.46 0.32 0.15 -0.05 0.00 0.00 175.22 175.47 1wa7 s LYS 30 N -3.26 2.32 0.62 1.99 1.02 -1.26 -0.01 119.74 121.15 1wa7 s LYS 30 Ca 0.00 -1.84 -0.18 0.00 0.02 0.00 0.00 55.97 53.98 1wa7 s LYS 30 Cb 0.02 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 1wa7 s LYS 30 CO -0.08 -0.33 1.17 -1.59 -0.92 0.00 0.00 175.35 173.59 1wa7 s LYS 31 N -4.11 2.91 0.00 1.68 0.00 -1.25 -2.20 119.74 116.76 1wa7 s LYS 31 Ca 0.40 1.66 0.00 0.00 0.00 0.00 0.00 55.97 58.03 1wa7 s LYS 31 Cb -0.00 -1.94 0.00 0.00 0.00 0.00 0.00 37.83 35.89 1wa7 s LYS 31 CO 0.23 -1.22 0.00 0.41 0.00 0.00 0.00 175.35 174.77 1wa7 n GLY 32 N 0.17 1.38 3.77 0.59 0.00 0.70 -4.87 105.19 106.94 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 -0.09 4.39 -0.08 1.61 2.12 -0.94 -4.69 118.70 121.02 1wa7 s GLU 33 Ca 0.00 1.63 -0.10 0.00 0.36 0.00 0.00 54.97 56.85 1wa7 s GLU 33 Cb 0.00 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 1wa7 s GLU 33 CO 0.00 0.04 0.25 0.15 -0.54 0.00 0.00 175.26 175.16 1wa7 s LYS 34 N -2.01 3.70 0.05 4.30 1.02 -1.26 0.23 119.74 125.77 1wa7 s LYS 34 Ca 0.52 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1wa7 s LYS 34 Cb -0.26 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1wa7 s LYS 34 CO 0.33 0.69 -0.06 -1.64 -0.92 0.00 0.00 175.35 173.76 1wa7 s MET 35 N -0.89 0.55 -0.17 1.68 -1.94 0.37 -3.37 119.30 115.53 1wa7 s MET 35 Ca 0.18 -0.91 -0.05 0.00 -1.71 0.00 0.00 55.69 53.20 1wa7 s MET 35 Cb -0.14 -0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.56 1wa7 s MET 35 CO 0.07 -0.01 0.01 0.15 -0.01 0.00 0.00 175.02 175.23 1wa7 s LYS 36 N -2.35 3.80 -0.13 2.03 1.02 -0.72 0.21 119.74 123.59 1wa7 s LYS 36 Ca -0.04 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 1wa7 s LYS 36 Cb -0.04 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1wa7 s LYS 36 CO -0.02 0.22 0.97 0.08 -0.92 0.00 0.00 175.35 175.68 1wa7 s VAL 37 N 0.45 4.80 -0.24 3.17 1.01 0.53 0.12 120.40 130.24 1wa7 s VAL 37 Ca -0.00 1.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.91 1wa7 s VAL 37 Cb -0.13 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1wa7 s VAL 37 CO 0.02 -0.00 -0.25 0.18 0.00 0.00 0.00 175.10 175.05 1wa7 n LEU 38 N 5.12 2.62 -3.42 3.92 4.77 -0.57 -3.41 117.00 126.03 1wa7 n LEU 38 Ca 0.08 0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1wa7 n LEU 38 Cb 0.49 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1wa7 n LEU 38 CO 0.51 0.79 -0.21 -1.83 -1.33 0.00 0.00 177.39 175.32 1wa7 s GLU 39 N -2.48 0.37 -0.32 3.23 -1.05 -1.20 -4.99 118.70 112.27 1wa7 s GLU 39 Ca -0.33 -0.42 -0.28 0.00 -0.15 0.00 0.00 54.97 53.79 1wa7 s GLU 39 Cb 0.10 -0.80 0.01 0.00 -0.44 0.00 0.00 34.13 33.00 1wa7 s GLU 39 CO 0.52 -1.07 1.02 -2.00 0.95 0.00 0.00 175.26 174.68 1wa7 s GLU 40 N 2.06 4.05 0.00 -4.83 2.12 -1.26 -2.78 118.70 118.05 1wa7 s GLU 40 Ca 0.11 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.42 1wa7 s GLU 40 Cb -0.15 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1wa7 s GLU 40 CO -0.26 -0.85 0.00 0.72 -0.54 0.00 0.00 175.26 174.33 1wa7 n HIS 41 N 6.73 0.00 0.00 5.30 8.25 -1.26 -4.84 115.22 129.40 1wa7 n HIS 41 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 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 4.58 0.34 0.00 -1.41 0.00 -1.26 -4.91 105.19 102.53 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 -0.65 1.42 -3.66 1.61 -0.58 -1.26 -5.05 120.64 112.47 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1wa7 n GLU 43 Cb 0.00 -0.12 -0.15 0.00 -0.57 0.00 0.00 31.44 30.60 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1wa7 s TRP 44 N 0.00 1.00 0.10 -0.32 0.52 -1.26 -2.40 118.94 116.57 1wa7 s TRP 44 Ca 0.00 -1.18 -0.16 0.00 0.02 0.00 0.00 56.10 54.78 1wa7 s TRP 44 Cb 0.00 -1.23 -0.07 0.00 -1.15 0.00 0.00 33.47 31.02 1wa7 s TRP 44 CO 0.00 -0.79 0.52 -1.58 0.02 0.00 0.00 176.95 175.13 1wa7 s TRP 45 N 1.86 3.69 -0.52 -1.98 0.51 -0.24 -4.06 118.94 118.21 1wa7 s TRP 45 Ca 0.07 1.10 -0.21 0.00 -2.12 0.00 0.00 56.10 54.94 1wa7 s TRP 45 Cb -0.17 -2.38 0.05 0.00 -0.81 0.00 0.00 33.47 30.16 1wa7 s TRP 45 CO -0.25 0.52 0.72 0.21 -0.51 0.00 0.00 176.95 177.63 1wa7 s LYS 46 N -1.56 3.19 0.34 4.98 2.20 -1.12 0.18 119.74 127.96 1wa7 s LYS 46 Ca 0.33 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 55.30 1wa7 s LYS 46 Cb -0.17 -4.08 0.05 0.00 -1.51 0.00 0.00 37.83 32.12 1wa7 s LYS 46 CO 0.18 -1.29 0.39 0.00 -0.36 0.00 0.00 175.35 174.28 1wa7 n ALA 47 N 6.55 0.66 -3.37 3.13 0.00 -0.59 -1.51 120.51 125.37 1wa7 n ALA 47 Ca -0.04 -1.30 -0.28 0.00 0.00 0.00 0.00 53.44 51.83 1wa7 n ALA 47 Cb 0.46 0.43 -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 -3.50 2.29 -0.03 0.00 2.20 0.12 -2.15 119.74 118.66 1wa7 s LYS 48 Ca 0.30 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1wa7 s LYS 48 Cb -0.02 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 1wa7 s LYS 48 CO 0.19 0.08 1.22 0.45 -0.36 0.00 0.00 175.35 176.94 1wa7 s SER 49 N 0.55 7.03 0.00 1.43 0.15 0.87 -1.76 113.70 121.98 1wa7 s SER 49 Ca -0.16 1.87 0.17 0.00 0.70 0.00 0.00 55.95 58.53 1wa7 s SER 49 Cb -0.17 -2.56 0.79 0.00 -1.71 0.00 0.00 66.02 62.37 1wa7 s SER 49 CO 0.06 -0.58 1.51 0.18 1.20 0.00 0.00 173.24 175.60 1wa7 n LEU 50 N 5.06 0.00 0.08 3.45 4.77 -1.22 -1.50 117.00 127.64 1wa7 n LEU 50 Ca 0.11 0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1wa7 n LEU 50 Cb 0.46 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1wa7 n LEU 50 CO 0.56 -0.16 0.66 0.25 -1.33 0.00 0.00 177.39 177.37 1wa7 h LEU 51 N 0.00 -0.87 -1.89 2.23 5.85 -1.89 -3.40 115.31 115.34 1wa7 h LEU 51 Ca 0.00 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1wa7 h LEU 51 Cb 0.21 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.47 1wa7 h LEU 51 CO 0.00 -0.37 -0.26 1.07 -0.34 0.00 0.00 178.44 178.54 1wa7 n THR 52 N -5.40 0.00 -1.53 1.05 5.66 -1.21 -5.00 114.28 107.86 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 0.31 0.44 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 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 -3.03 1.09 5.02 -0.56 -5.05 118.16 115.63 1wa7 n LYS 53 Ca -0.25 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.64 1wa7 n LYS 53 Cb 0.66 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wa7 s LYS 54 N -2.90 4.45 -0.16 1.97 2.47 -1.00 -4.78 119.74 119.80 1wa7 s LYS 54 Ca 0.00 0.95 0.01 0.00 -1.56 0.00 0.00 55.97 55.37 1wa7 s LYS 54 Cb 0.00 -3.40 0.02 0.00 -1.46 0.00 0.00 37.83 32.99 1wa7 s LYS 54 CO 0.00 0.19 -0.16 -1.83 0.16 0.00 0.00 175.35 173.70 1wa7 s GLU 55 N 0.34 2.56 0.18 4.03 -1.05 -1.26 0.30 118.70 123.79 1wa7 s GLU 55 Ca 0.38 -0.66 -0.24 0.00 -0.15 0.00 0.00 54.97 54.30 1wa7 s GLU 55 Cb -0.19 -2.27 0.06 0.00 -0.44 0.00 0.00 34.13 31.29 1wa7 s GLU 55 CO 0.20 -0.22 0.77 0.20 0.95 0.00 0.00 175.26 177.16 1wa7 s GLY 56 N 1.38 -0.32 0.15 -3.83 0.00 -0.91 -4.58 107.32 99.21 1wa7 s GLY 56 Ca 0.04 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 1wa7 s GLY 56 CO -0.11 0.06 1.27 -1.36 0.00 0.00 0.00 173.10 172.96 1wa7 s PHE 57 N -3.61 3.34 0.03 1.90 0.08 -1.24 -1.54 117.98 116.93 1wa7 s PHE 57 Ca 0.08 1.25 0.08 0.00 0.12 0.00 0.00 56.93 58.46 1wa7 s PHE 57 Cb -0.03 -3.53 -0.02 0.00 -0.57 0.00 0.00 43.02 38.87 1wa7 s PHE 57 CO -0.02 -1.64 -0.24 0.96 -0.10 0.00 0.00 175.22 174.18 1wa7 s ILE 58 N 0.42 1.92 0.66 0.64 -4.36 0.48 -3.45 121.20 117.51 1wa7 s ILE 58 Ca 0.57 -1.22 -0.16 0.00 -0.26 0.00 0.00 60.65 59.59 1wa7 s ILE 58 Cb -0.34 -1.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.74 1wa7 s ILE 58 CO 0.34 0.37 1.14 -2.16 0.24 0.00 0.00 174.94 174.88 1wa7 s PRO 59 N -1.01 2.73 0.00 0.37 0.04 -1.26 -1.08 135.00 134.79 1wa7 s PRO 59 Ca 0.10 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.80 1wa7 s PRO 59 Cb -0.09 -1.93 0.60 0.00 0.04 0.00 0.00 34.50 33.12 1wa7 s PRO 59 CO 0.01 -1.34 1.41 -1.13 0.04 0.00 0.00 177.00 175.99 1wa7 n SER 60 N -2.28 0.50 -0.05 6.66 3.41 -1.01 -4.10 113.62 116.74 1wa7 n SER 60 Ca 0.11 -1.72 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 1wa7 n SER 60 Cb 0.51 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.36 1.11 0.01 4.04 5.15 -1.26 -4.77 115.26 119.18 1wa7 n ASN 61 Ca 0.10 0.18 -0.11 0.00 -0.60 0.00 0.00 54.58 54.15 1wa7 n ASN 61 Cb 0.11 -0.44 -0.07 0.00 -0.53 0.00 0.00 39.78 38.86 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 -0.48 -1.11 -4.21 1.20 0.05 -1.92 -3.42 116.97 107.08 1wa7 h TYR 62 Ca -0.25 0.04 -0.48 0.00 0.05 0.00 0.00 58.73 58.10 1wa7 h TYR 62 Cb 1.07 0.49 0.03 0.00 1.01 0.00 0.00 36.73 39.33 1wa7 h TYR 62 CO -0.09 -0.38 0.38 0.14 -1.05 0.00 0.00 178.16 177.15 1wa7 s VAL 63 N -4.87 4.40 0.15 -2.88 -7.23 -1.26 -0.58 120.40 108.14 1wa7 s VAL 63 Ca -0.11 1.12 0.03 0.00 -1.81 0.00 0.00 61.98 61.21 1wa7 s VAL 63 Cb 0.05 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 1wa7 s VAL 63 CO 0.42 -0.69 -0.06 0.00 -0.31 0.00 0.00 175.10 174.45 1wa7 s ALA 64 N -2.64 1.37 0.49 1.32 0.00 0.17 -4.80 121.76 117.65 1wa7 s ALA 64 Ca 0.59 -1.51 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 1wa7 s ALA 64 Cb -0.11 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 1wa7 s ALA 64 CO 0.34 -0.19 1.02 0.15 0.00 0.00 0.00 175.76 177.09 1wa7 s LYS 65 N -3.81 3.84 0.00 0.00 1.02 -1.26 -0.02 119.74 119.50 1wa7 s LYS 65 Ca 0.18 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.46 1wa7 s LYS 65 Cb 0.04 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1wa7 s LYS 65 CO 0.01 -0.39 0.00 1.28 -0.92 0.00 0.00 175.35 175.33 1wa7 n LEU 66 N -1.03 0.00 -0.69 3.17 4.77 -1.26 -4.78 117.00 117.18 1wa7 n LEU 66 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1wa7 n LEU 66 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1wa7 n LEU 66 CO 0.40 -0.08 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.09 1wa7 n ASN 67 N 0.00 -3.22 0.00 -1.43 5.15 -1.26 -5.09 115.26 109.41 1wa7 n ASN 67 Ca 0.00 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1wa7 n ASN 67 Cb 0.00 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 1wa7 n ASN 67 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07