#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 -0.25 3.45 1.08 0.00 -1.26 -4.99 105.19 103.22 1wa7 n GLY 10 Ca 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 1wa7 n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wa7 s ASP 11 N -4.00 -0.59 -0.05 1.61 1.01 -1.26 -5.06 116.67 108.33 1wa7 s ASP 11 Ca 0.00 0.28 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 1wa7 s ASP 11 Cb 0.00 0.57 -0.04 0.00 1.01 0.00 0.00 42.92 44.46 1wa7 s ASP 11 CO 0.00 -0.81 0.02 -0.51 0.21 0.00 0.00 175.17 174.08 1wa7 s ILE 12 N -2.69 4.42 0.17 0.77 1.10 -1.26 -1.28 121.20 122.44 1wa7 s ILE 12 Ca -0.04 -0.34 0.04 0.00 -0.51 0.00 0.00 60.65 59.80 1wa7 s ILE 12 Cb -0.01 -2.92 -0.05 0.00 0.15 0.00 0.00 42.46 39.64 1wa7 s ILE 12 CO -0.03 0.50 -0.05 0.68 -2.11 0.00 0.00 174.94 173.93 1wa7 s VAL 13 N -1.00 1.01 -0.03 4.00 -7.23 0.55 -4.11 120.40 113.58 1wa7 s VAL 13 Ca 0.17 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 1wa7 s VAL 13 Cb -0.12 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1wa7 s VAL 13 CO 0.06 -0.58 -0.23 0.54 -0.31 0.00 0.00 175.10 174.58 1wa7 s VAL 14 N -3.43 1.87 0.24 1.32 0.11 0.84 0.72 120.40 122.06 1wa7 s VAL 14 Ca 0.21 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.97 1wa7 s VAL 14 Cb 0.04 -1.56 -0.09 0.00 -1.53 0.00 0.00 36.38 33.24 1wa7 s VAL 14 CO 0.03 0.53 1.23 0.00 -3.33 0.00 0.00 175.10 173.55 1wa7 s ALA 15 N -0.42 3.47 -0.12 1.54 0.00 0.74 0.09 121.76 127.05 1wa7 s ALA 15 Ca 0.05 1.04 0.20 0.00 0.00 0.00 0.00 51.96 53.25 1wa7 s ALA 15 Cb -0.10 -3.42 -0.27 0.00 0.00 0.00 0.00 23.12 19.32 1wa7 s ALA 15 CO 0.00 -0.42 0.32 1.28 0.00 0.00 0.00 175.76 176.94 1wa7 n LEU 16 N 1.94 0.09 -3.90 0.00 4.77 0.18 0.28 117.00 120.36 1wa7 n LEU 16 Ca 0.03 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1wa7 n LEU 16 Cb 0.44 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.69 1wa7 n LEU 16 CO 0.57 0.26 -0.18 -0.31 -1.33 0.00 0.00 177.39 176.39 1wa7 s TYR 17 N -2.96 0.16 0.59 -1.77 2.02 -1.20 -4.33 117.35 109.86 1wa7 s TYR 17 Ca -0.08 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 55.99 1wa7 s TYR 17 Cb 0.10 -0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.51 1wa7 s TYR 17 CO 0.86 -0.39 1.24 -1.25 -1.57 0.00 0.00 175.55 174.45 1wa7 s PRO 18 N -2.60 2.96 0.58 -1.71 0.04 -1.25 -3.97 135.00 129.04 1wa7 s PRO 18 Ca -0.05 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.00 1wa7 s PRO 18 Cb -0.01 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1wa7 s PRO 18 CO -0.04 -1.24 0.80 -0.47 0.04 0.00 0.00 177.00 176.08 1wa7 s TYR 19 N -1.51 1.44 -0.90 0.56 5.04 0.89 -4.92 117.35 117.95 1wa7 s TYR 19 Ca 0.77 -0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 1wa7 s TYR 19 Cb -0.33 -2.25 0.22 0.00 0.35 0.00 0.00 41.96 39.96 1wa7 s TYR 19 CO 0.36 -1.17 0.79 -0.25 -1.34 0.00 0.00 175.55 173.94 1wa7 n ASP 20 N -2.26 4.21 -4.54 4.32 8.00 -1.26 -4.73 116.55 120.29 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 0.61 -1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.59 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 2.28 -0.07 0.08 0.44 0.00 -1.26 -4.59 105.19 102.07 1wa7 n GLY 21 Ca 0.22 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.66 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 8.05 0.75 -1.99 -0.61 5.41 -1.26 -5.00 119.36 124.71 1wa7 n ILE 22 Ca 0.46 -0.29 -0.31 0.00 1.00 0.00 0.00 62.75 63.62 1wa7 n ILE 22 Cb 0.42 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 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 -2.26 3.59 -0.42 1.39 3.76 -1.26 -4.94 115.29 115.15 1wa7 s HIS 23 Ca -0.18 1.31 0.24 0.00 -0.15 0.00 0.00 55.06 56.29 1wa7 s HIS 23 Cb 0.05 -2.72 1.03 0.00 1.11 0.00 0.00 32.58 32.04 1wa7 s HIS 23 CO 0.30 -0.62 1.72 -0.35 -0.85 0.00 0.00 174.74 174.95 1wa7 n PRO 24 N -2.51 0.20 -0.00 8.40 -0.04 -1.26 -2.77 135.00 137.02 1wa7 n PRO 24 Ca 0.06 0.46 0.05 0.00 -0.04 0.00 0.00 63.50 64.02 1wa7 n PRO 24 Cb 0.54 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.29 0.79 -4.76 3.54 9.92 -1.26 -5.00 116.55 117.48 1wa7 n ASP 25 Ca 0.02 -0.63 -0.40 0.00 -0.53 0.00 0.00 54.79 53.25 1wa7 n ASP 25 Cb 0.21 1.07 0.02 0.00 -0.64 0.00 0.00 41.12 41.78 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 -1.33 3.28 -4.57 -2.24 8.00 -1.12 -3.49 116.55 115.09 1wa7 n ASP 26 Ca 0.01 1.10 -0.37 0.00 0.71 0.00 0.00 54.79 56.25 1wa7 n ASP 26 Cb 0.17 -1.61 -0.11 0.00 -0.02 0.00 0.00 41.12 39.56 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 -2.83 3.84 0.23 0.64 1.98 -1.23 -4.70 118.68 116.62 1wa7 s LEU 27 Ca 0.63 -0.02 -0.30 0.00 -2.89 0.00 0.00 54.13 51.55 1wa7 s LEU 27 Cb -0.44 -2.03 -0.09 0.00 0.66 0.00 0.00 46.19 44.29 1wa7 s LEU 27 CO 0.56 0.02 1.02 -0.44 -1.89 0.00 0.00 176.35 175.63 1wa7 s SER 28 N 1.31 7.45 0.04 3.68 0.01 -1.26 -4.75 113.70 120.18 1wa7 s SER 28 Ca 0.06 2.07 -0.05 0.00 1.31 0.00 0.00 55.95 59.34 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 0.06 -0.02 0.09 0.72 0.41 0.00 0.00 173.24 174.50 1wa7 s PHE 29 N -0.94 0.22 0.46 2.43 -0.12 -1.26 -4.95 117.98 113.82 1wa7 s PHE 29 Ca 0.44 -0.54 0.07 0.00 -0.05 0.00 0.00 56.93 56.84 1wa7 s PHE 29 Cb -0.28 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 41.94 1wa7 s PHE 29 CO 0.35 -0.37 0.32 -1.59 -0.05 0.00 0.00 175.22 173.88 1wa7 s LYS 30 N -2.75 2.34 0.64 1.99 -2.85 -1.26 -0.07 119.74 117.77 1wa7 s LYS 30 Ca -0.04 -1.81 -0.17 0.00 -1.00 0.00 0.00 55.97 52.95 1wa7 s LYS 30 Cb -0.00 -2.15 -0.01 0.00 -2.06 0.00 0.00 37.83 33.61 1wa7 s LYS 30 CO -0.05 -0.33 1.17 -1.59 0.10 0.00 0.00 175.35 174.65 1wa7 s LYS 31 N -4.11 2.75 0.00 1.78 0.00 -1.25 -2.20 119.74 116.70 1wa7 s LYS 31 Ca 0.40 1.66 0.00 0.00 0.00 0.00 0.00 55.97 58.04 1wa7 s LYS 31 Cb -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 37.83 35.90 1wa7 s LYS 31 CO 0.24 -1.34 0.00 0.41 0.00 0.00 0.00 175.35 174.66 1wa7 n GLY 32 N 0.15 1.21 3.77 0.59 0.00 0.80 -4.89 105.19 106.82 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 -0.12 4.35 -0.07 1.61 -6.30 -0.94 -4.68 118.70 112.56 1wa7 s GLU 33 Ca 0.00 1.62 -0.11 0.00 -2.50 0.00 0.00 54.97 53.98 1wa7 s GLU 33 Cb 0.00 -2.79 -0.05 0.00 0.00 0.00 0.00 34.13 31.29 1wa7 s GLU 33 CO 0.00 -0.00 0.28 0.21 0.02 0.00 0.00 175.26 175.77 1wa7 s LYS 34 N -2.08 3.76 0.06 4.30 2.20 -1.26 0.26 119.74 126.98 1wa7 s LYS 34 Ca 0.53 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1wa7 s LYS 34 Cb -0.26 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1wa7 s LYS 34 CO 0.33 0.68 -0.09 -1.64 -0.36 0.00 0.00 175.35 174.26 1wa7 s MET 35 N -0.88 0.64 -0.18 4.03 -1.94 0.22 -3.17 119.30 118.01 1wa7 s MET 35 Ca 0.19 -0.89 -0.07 0.00 -1.71 0.00 0.00 55.69 53.22 1wa7 s MET 35 Cb -0.14 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.27 1wa7 s MET 35 CO 0.08 0.07 0.04 0.21 -0.01 0.00 0.00 175.02 175.41 1wa7 s LYS 36 N -1.96 3.88 0.10 2.03 2.20 -0.99 -0.33 119.74 124.67 1wa7 s LYS 36 Ca -0.05 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 54.89 1wa7 s LYS 36 Cb -0.08 -3.17 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1wa7 s LYS 36 CO 0.00 0.22 0.89 0.08 -0.36 0.00 0.00 175.35 176.18 1wa7 s VAL 37 N 0.51 4.54 -0.09 4.02 1.01 -0.40 0.72 120.40 130.71 1wa7 s VAL 37 Ca 0.02 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1wa7 s VAL 37 Cb -0.13 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1wa7 s VAL 37 CO 0.01 0.35 -0.08 0.18 0.00 0.00 0.00 175.10 175.56 1wa7 n LEU 38 N 2.67 2.73 -3.29 3.92 4.32 -0.85 -4.09 117.00 122.41 1wa7 n LEU 38 Ca 0.00 -0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.82 1wa7 n LEU 38 Cb 0.49 -0.30 -0.06 0.00 -1.62 0.00 0.00 43.42 41.94 1wa7 n LEU 38 CO 0.50 0.59 -0.11 -0.70 -1.22 0.00 0.00 177.39 176.45 1wa7 s GLU 39 N -2.17 0.73 -0.30 3.23 2.56 -1.23 -5.00 118.70 116.52 1wa7 s GLU 39 Ca -0.12 -0.92 -0.29 0.00 0.00 0.00 0.00 54.97 53.64 1wa7 s GLU 39 Cb 0.03 -0.62 -0.00 0.00 2.00 0.00 0.00 34.13 35.54 1wa7 s GLU 39 CO 0.19 -1.23 1.36 -2.00 -0.56 0.00 0.00 175.26 173.03 1wa7 s GLU 40 N 1.30 3.86 0.00 4.30 -6.30 -1.26 -3.38 118.70 117.22 1wa7 s GLU 40 Ca 0.19 1.28 0.00 0.00 -2.50 0.00 0.00 54.97 53.94 1wa7 s GLU 40 Cb -0.11 -3.92 0.00 0.00 0.00 0.00 0.00 34.13 30.10 1wa7 s GLU 40 CO -0.05 -1.19 0.00 0.72 0.02 0.00 0.00 175.26 174.76 1wa7 n HIS 41 N 7.88 0.00 0.00 5.30 8.25 -1.26 -4.96 115.22 130.43 1wa7 n HIS 41 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1wa7 n HIS 41 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.51 0.00 -1.41 0.00 -1.26 -4.91 105.19 102.29 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 -1.84 0.00 0.00 0.00 173.32 171.48 1wa7 n GLU 43 N -0.79 0.00 -3.67 1.61 0.00 -1.26 -5.04 120.64 111.48 1wa7 n GLU 43 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 1wa7 n GLU 43 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.31 1wa7 n GLU 43 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1wa7 s TRP 44 N 0.00 1.84 0.19 -1.84 0.52 -1.26 -1.93 118.94 116.45 1wa7 s TRP 44 Ca 0.00 -2.35 -0.25 0.00 0.02 0.00 0.00 56.10 53.52 1wa7 s TRP 44 Cb 0.00 -1.75 -0.08 0.00 -1.15 0.00 0.00 33.47 30.49 1wa7 s TRP 44 CO 0.00 -0.78 0.79 -1.58 0.02 0.00 0.00 176.95 175.40 1wa7 s TRP 45 N 0.38 3.86 -0.56 -1.98 0.51 -0.14 -4.19 118.94 116.82 1wa7 s TRP 45 Ca 0.19 1.63 -0.21 0.00 -2.12 0.00 0.00 56.10 55.59 1wa7 s TRP 45 Cb -0.22 -2.77 0.06 0.00 -0.81 0.00 0.00 33.47 29.73 1wa7 s TRP 45 CO -0.01 0.46 0.77 0.21 -0.51 0.00 0.00 176.95 177.88 1wa7 s LYS 46 N -1.34 3.15 0.43 4.98 2.20 -1.22 0.24 119.74 128.18 1wa7 s LYS 46 Ca 0.38 -0.82 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 1wa7 s LYS 46 Cb -0.22 -4.14 0.07 0.00 -1.51 0.00 0.00 37.83 32.02 1wa7 s LYS 46 CO 0.26 -1.45 0.54 0.00 -0.36 0.00 0.00 175.35 174.34 1wa7 n ALA 47 N 6.77 0.87 -3.98 3.13 0.00 -0.41 -2.01 120.51 124.89 1wa7 n ALA 47 Ca -0.05 -1.58 -0.31 0.00 0.00 0.00 0.00 53.44 51.50 1wa7 n ALA 47 Cb 0.45 0.47 -0.15 0.00 0.00 0.00 0.00 19.45 20.22 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 -3.91 1.80 0.17 0.00 2.20 0.22 -1.89 119.74 118.34 1wa7 s LYS 48 Ca 0.41 -1.14 -0.33 0.00 -0.36 0.00 0.00 55.97 54.55 1wa7 s LYS 48 Cb -0.03 -2.70 -0.13 0.00 -1.51 0.00 0.00 37.83 33.46 1wa7 s LYS 48 CO 0.26 -0.61 1.66 0.43 -0.36 0.00 0.00 175.35 176.73 1wa7 n SER 49 N 4.58 3.53 0.00 1.43 7.64 0.85 -2.34 113.62 129.31 1wa7 n SER 49 Ca -0.12 1.07 0.12 0.00 1.01 0.00 0.00 58.87 60.95 1wa7 n SER 49 Cb 0.43 -1.49 0.56 0.00 -1.01 0.00 0.00 64.21 62.70 1wa7 n SER 49 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wa7 n LEU 50 N 3.83 0.00 0.14 -3.43 7.94 -1.19 -1.85 117.00 122.44 1wa7 n LEU 50 Ca 0.17 0.43 0.16 0.00 -1.11 0.00 0.00 56.01 55.66 1wa7 n LEU 50 Cb 0.32 -0.43 0.50 0.00 0.53 0.00 0.00 43.42 44.34 1wa7 n LEU 50 CO 0.64 -0.07 1.14 0.25 -1.11 0.00 0.00 177.39 178.24 1wa7 h LEU 51 N 0.00 0.00 0.00 -1.96 5.85 -1.88 -3.39 115.31 113.94 1wa7 h LEU 51 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wa7 h LEU 51 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1wa7 h LEU 51 CO 0.00 0.00 0.00 1.07 -0.34 0.00 0.00 178.44 179.17 1wa7 n THR 52 N -3.08 0.00 0.00 1.05 5.66 -1.21 -5.00 114.28 111.71 1wa7 n THR 52 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1wa7 n THR 52 Cb 0.88 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1wa7 n THR 52 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1wa7 n LYS 53 N 0.00 0.00 -3.15 1.09 2.85 -0.77 -5.09 118.16 113.08 1wa7 n LYS 53 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 1wa7 n LYS 53 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1wa7 n LYS 53 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1wa7 s LYS 54 N 0.00 4.36 -0.11 -1.58 3.01 -1.03 -4.83 119.74 119.56 1wa7 s LYS 54 Ca 0.00 0.82 0.03 0.00 -1.01 0.00 0.00 55.97 55.81 1wa7 s LYS 54 Cb 0.00 -3.34 0.01 0.00 -1.01 0.00 0.00 37.83 33.49 1wa7 s LYS 54 CO 0.00 0.37 -0.20 -1.83 0.51 0.00 0.00 175.35 174.20 1wa7 s GLU 55 N -0.23 2.66 0.13 1.68 -1.05 -1.26 0.29 118.70 120.93 1wa7 s GLU 55 Ca 0.33 -0.74 -0.26 0.00 -0.15 0.00 0.00 54.97 54.16 1wa7 s GLU 55 Cb -0.19 -2.11 0.07 0.00 -0.44 0.00 0.00 34.13 31.46 1wa7 s GLU 55 CO 0.19 0.06 0.96 0.20 0.95 0.00 0.00 175.26 177.62 1wa7 s GLY 56 N 0.64 -0.26 0.15 -3.83 0.00 -0.79 -4.50 107.32 98.72 1wa7 s GLY 56 Ca -0.13 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 1wa7 s GLY 56 CO 0.03 0.04 1.26 -1.36 0.00 0.00 0.00 173.10 173.08 1wa7 s PHE 57 N -3.24 3.35 -0.09 1.90 0.08 -1.23 -1.28 117.98 117.47 1wa7 s PHE 57 Ca 0.11 1.26 0.03 0.00 0.12 0.00 0.00 56.93 58.46 1wa7 s PHE 57 Cb -0.01 -3.52 0.01 0.00 -0.57 0.00 0.00 43.02 38.93 1wa7 s PHE 57 CO 0.01 -1.60 -0.20 0.96 -0.10 0.00 0.00 175.22 174.29 1wa7 s ILE 58 N 0.44 1.72 -0.02 0.64 -4.36 0.65 -3.50 121.20 116.76 1wa7 s ILE 58 Ca 0.57 -0.82 -0.30 0.00 -0.26 0.00 0.00 60.65 59.84 1wa7 s ILE 58 Cb -0.34 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1wa7 s ILE 58 CO 0.34 0.49 1.20 -2.16 0.24 0.00 0.00 174.94 175.05 1wa7 s PRO 59 N 0.51 4.37 0.06 0.37 0.04 -1.26 -0.97 135.00 138.12 1wa7 s PRO 59 Ca -0.16 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1wa7 s PRO 59 Cb -0.17 -3.51 0.16 0.00 0.04 0.00 0.00 34.50 31.02 1wa7 s PRO 59 CO 0.06 -0.40 0.98 0.45 0.04 0.00 0.00 177.00 178.14 1wa7 n SER 60 N 4.87 0.08 -0.42 6.66 2.88 -0.81 -0.09 113.62 126.79 1wa7 n SER 60 Ca 0.10 0.43 0.14 0.00 -1.33 0.00 0.00 58.87 58.21 1wa7 n SER 60 Cb 0.46 -0.43 0.56 0.00 -0.75 0.00 0.00 64.21 64.05 1wa7 n SER 60 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wa7 n ASN 61 N -1.51 1.29 -0.02 -3.46 5.15 -1.26 -4.21 115.26 111.24 1wa7 n ASN 61 Ca -0.00 -1.46 -0.03 0.00 -0.60 0.00 0.00 54.58 52.48 1wa7 n ASN 61 Cb 0.13 -0.02 -0.02 0.00 -0.53 0.00 0.00 39.78 39.35 1wa7 n ASN 61 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1wa7 n TYR 62 N 0.02 0.00 -3.63 1.20 4.01 0.87 -4.96 117.16 114.68 1wa7 n TYR 62 Ca 0.19 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.70 1wa7 n TYR 62 Cb 0.31 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1wa7 n TYR 62 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1wa7 s VAL 63 N -2.08 5.17 0.11 -0.72 -7.23 -1.19 0.48 120.40 114.96 1wa7 s VAL 63 Ca -0.05 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1wa7 s VAL 63 Cb 0.01 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 1wa7 s VAL 63 CO 0.09 -0.42 -0.02 0.00 -0.31 0.00 0.00 175.10 174.43 1wa7 s ALA 64 N -2.13 0.98 0.41 1.32 0.00 0.11 -4.82 121.76 117.63 1wa7 s ALA 64 Ca 0.38 -1.41 -0.23 0.00 0.00 0.00 0.00 51.96 50.70 1wa7 s ALA 64 Cb -0.10 0.38 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 1wa7 s ALA 64 CO 0.33 -0.31 1.03 -1.59 0.00 0.00 0.00 175.76 175.21 1wa7 s LYS 65 N -3.90 4.14 1.01 0.00 -2.85 -1.26 -0.11 119.74 116.78 1wa7 s LYS 65 Ca 0.16 1.44 -0.17 0.00 -1.00 0.00 0.00 55.97 56.40 1wa7 s LYS 65 Cb 0.06 -2.46 -0.02 0.00 -2.06 0.00 0.00 37.83 33.35 1wa7 s LYS 65 CO -0.02 -0.15 -0.25 -0.11 0.10 0.00 0.00 175.35 174.92 1wa7 n LEU 66 N -0.21 -2.46 -3.28 2.77 7.94 -1.26 -4.80 117.00 115.70 1wa7 n LEU 66 Ca 0.06 0.13 -0.06 0.00 -1.11 0.00 0.00 56.01 55.02 1wa7 n LEU 66 Cb 0.50 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.46 1wa7 n LEU 66 CO 0.43 -3.86 -0.03 0.20 -1.11 0.00 0.00 177.39 173.03 1wa7 s ASN 67 N -1.60 -0.06 0.00 1.96 0.01 -1.26 -5.08 114.94 108.91 1wa7 s ASN 67 Ca 0.50 -0.13 0.27 0.00 -0.71 0.00 0.00 52.86 52.79 1wa7 s ASN 67 Cb -0.13 1.32 0.79 0.00 0.41 0.00 0.00 41.25 43.63 1wa7 s ASN 67 CO 0.70 -0.33 1.60 0.41 -1.51 0.00 0.00 177.10 177.97