#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgk n SER 2 N 0.00 -4.42 -4.33 1.61 7.64 -1.26 -4.99 113.62 107.88 1wgk n SER 2 Ca 0.00 -0.72 -0.20 0.00 1.01 0.00 0.00 58.87 58.95 1wgk n SER 2 Cb 0.00 -4.24 -0.11 0.00 -1.01 0.00 0.00 64.21 58.85 1wgk n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgk s SER 3 N -3.54 2.59 1.05 6.43 1.04 -1.26 -5.14 113.70 114.86 1wgk s SER 3 Ca 0.50 -0.91 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1wgk s SER 3 Cb -0.24 -0.14 0.22 0.00 0.10 0.00 0.00 66.02 65.95 1wgk s SER 3 CO 0.80 -0.09 1.07 -0.83 0.98 0.00 0.00 173.24 175.17 1wgk s GLY 4 N -2.87 1.58 0.29 7.32 0.00 -1.26 -4.99 107.32 107.39 1wgk s GLY 4 Ca 0.17 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.54 1wgk s GLY 4 CO 0.06 0.51 0.89 -0.56 0.00 0.00 0.00 173.10 174.00 1wgk s SER 5 N -2.95 7.29 -0.59 1.64 0.01 -1.26 -5.03 113.70 112.81 1wgk s SER 5 Ca 0.66 1.73 -0.04 0.00 1.31 0.00 0.00 55.95 59.62 1wgk s SER 5 Cb -0.22 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.63 1wgk s SER 5 CO 0.61 -0.03 0.41 -0.44 0.41 0.00 0.00 173.24 174.20 1wgk s SER 6 N -1.59 5.34 0.00 2.44 0.01 -1.26 -4.96 113.70 113.68 1wgk s SER 6 Ca 0.48 -2.66 0.00 0.00 1.31 0.00 0.00 55.95 55.08 1wgk s SER 6 Cb -0.19 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1wgk s SER 6 CO 0.23 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1wgk n GLY 7 N 3.77 -0.07 2.30 3.44 0.00 -1.26 -4.62 105.19 108.74 1wgk n GLY 7 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 1wgk n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wgk n MET 8 N 0.00 -1.22 -1.14 1.61 0.00 -1.26 -4.85 117.12 110.26 1wgk n MET 8 Ca 0.00 0.75 -0.30 0.00 -0.00 0.00 0.00 57.70 58.15 1wgk n MET 8 Cb 0.00 -5.10 0.13 0.00 0.00 0.00 0.00 33.22 28.25 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk s ALA 9 N -2.76 1.73 0.06 -5.12 0.00 -1.26 -4.98 121.76 109.42 1wgk s ALA 9 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1wgk s ALA 9 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1wgk s ALA 9 CO 0.00 -2.23 0.23 0.00 0.00 0.00 0.00 175.76 173.76 1wgk s ALA 10 N -2.87 3.97 0.29 0.00 0.00 -1.26 -4.32 121.76 117.56 1wgk s ALA 10 Ca 0.63 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 1wgk s ALA 10 Cb -0.18 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 1wgk s ALA 10 CO 0.57 0.79 1.24 -1.25 0.00 0.00 0.00 175.76 177.11 1wgk s PRO 11 N -2.40 4.45 0.02 0.00 0.04 -1.26 -4.10 135.00 131.76 1wgk s PRO 11 Ca 0.34 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.47 1wgk s PRO 11 Cb -0.13 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wgk s PRO 11 CO 0.25 -0.08 -0.05 -0.48 0.04 0.00 0.00 177.00 176.68 1wgk s LEU 12 N -1.32 3.23 -0.13 -3.56 0.05 0.12 -4.94 118.68 112.13 1wgk s LEU 12 Ca 0.49 -0.16 -0.02 0.00 0.05 0.00 0.00 54.13 54.49 1wgk s LEU 12 Cb -0.37 -1.89 -0.03 0.00 -2.05 0.00 0.00 46.19 41.86 1wgk s LEU 12 CO 0.46 0.26 -0.05 0.00 -0.55 0.00 0.00 176.35 176.47 1wgk s VAL 14 N 0.03 1.04 -0.35 0.00 -7.23 0.10 -2.12 120.40 111.87 1wgk s VAL 14 Ca -0.00 -0.68 -0.16 0.00 -1.81 0.00 0.00 61.98 59.33 1wgk s VAL 14 Cb -0.13 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 1wgk s VAL 14 CO 0.03 0.21 0.39 -0.54 -0.31 0.00 0.00 175.10 174.88 1wgk s LYS 15 N -0.54 3.53 0.05 4.82 1.02 -0.83 -0.92 119.74 126.87 1wgk s LYS 15 Ca 0.04 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 1wgk s LYS 15 Cb -0.06 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 1wgk s LYS 15 CO -0.00 -0.57 0.25 0.08 -0.92 0.00 0.00 175.35 174.19 1wgk s VAL 16 N 2.08 5.34 -0.09 3.17 1.01 0.07 -0.95 120.40 131.04 1wgk s VAL 16 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1wgk s VAL 16 Cb -0.16 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1wgk s VAL 16 CO 0.12 0.22 0.21 -0.70 0.00 0.00 0.00 175.10 174.95 1wgk s GLU 17 N -2.23 0.19 -0.00 2.72 2.12 -0.61 -0.34 118.70 120.55 1wgk s GLU 17 Ca 0.33 0.42 0.08 0.00 0.36 0.00 0.00 54.97 56.16 1wgk s GLU 17 Cb -0.13 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.17 1wgk s GLU 17 CO 0.22 -0.12 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.52 1wgk s PHE 18 N 0.90 2.38 0.00 5.30 0.40 -1.04 -0.73 117.98 125.19 1wgk s PHE 18 Ca -0.07 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1wgk s PHE 18 Cb -0.08 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1wgk s PHE 18 CO -0.05 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.32 1wgk n GLY 19 N 2.18 -2.44 3.42 4.36 0.00 -1.10 -4.68 105.19 106.93 1wgk n GLY 19 Ca -0.16 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1wgk n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgk s GLY 20 N 0.00 1.64 0.00 -0.02 0.00 -1.26 -4.44 107.32 103.24 1wgk s GLY 20 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1wgk s GLY 20 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.74 1wgk n GLY 21 N 3.86 3.19 0.12 0.20 0.00 -1.26 -4.71 105.19 106.59 1wgk n GLY 21 Ca -0.18 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1wgk n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgk h ALA 22 N 0.00 0.21 -0.83 4.61 0.00 -1.87 -3.12 119.26 118.26 1wgk h ALA 22 Ca 0.00 -0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.00 1wgk h ALA 22 Cb 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 1wgk h ALA 22 CO 0.00 -0.02 0.42 -0.85 0.00 0.00 0.00 179.25 178.79 1wgk n GLU 23 N -4.68 -0.05 -0.15 0.00 0.28 -1.26 0.17 120.64 114.95 1wgk n GLU 23 Ca -0.06 1.15 -0.03 0.00 -0.16 0.00 0.00 57.16 58.06 1wgk n GLU 23 Cb 0.27 -2.04 0.05 0.00 1.43 0.00 0.00 31.44 31.15 1wgk n GLU 23 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1wgk h LEU 24 N 0.00 0.06 0.00 -1.84 3.38 -1.87 0.35 115.31 115.40 1wgk h LEU 24 Ca 0.69 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.73 1wgk h LEU 24 Cb 1.80 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1wgk h LEU 24 CO -0.65 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.13 1wgk n LEU 25 N -5.07 0.00 -3.57 1.67 4.77 0.45 -2.84 117.00 112.41 1wgk n LEU 25 Ca 0.04 0.48 -0.27 0.00 -0.03 0.00 0.00 56.01 56.24 1wgk n LEU 25 Cb 0.21 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1wgk n LEU 25 CO 0.23 -0.41 -0.07 0.49 -1.33 0.00 0.00 177.39 176.29 1wgk n PHE 26 N -1.48 2.27 -2.08 -1.77 3.01 0.92 -3.64 117.46 114.69 1wgk n PHE 26 Ca 0.01 -4.01 -0.06 0.00 1.01 0.00 0.00 57.45 54.40 1wgk n PHE 26 Cb 0.05 -0.43 -0.01 0.00 -0.01 0.00 0.00 39.48 39.08 1wgk n PHE 26 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wgk n ASP 27 N 1.65 -2.09 -3.71 4.37 2.03 -1.22 -2.39 116.55 115.20 1wgk n ASP 27 Ca 0.25 0.29 -0.25 0.00 0.52 0.00 0.00 54.79 55.61 1wgk n ASP 27 Cb 0.41 -1.95 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wgk n GLY 28 N -0.48 -1.15 2.92 0.27 0.00 0.62 -4.96 105.19 102.43 1wgk n GLY 28 Ca -0.06 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 1wgk n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgk s VAL 29 N -2.82 -0.01 0.02 1.61 1.01 -1.00 -4.87 120.40 114.34 1wgk s VAL 29 Ca 0.05 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 1wgk s VAL 29 Cb -0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 36.38 36.11 1wgk s VAL 29 CO 0.88 0.01 1.31 0.07 0.00 0.00 0.00 175.10 177.38 1wgk h LYS 30 N 6.19 -0.44 -5.93 2.72 2.10 -1.91 -3.43 116.57 115.86 1wgk h LYS 30 Ca -0.27 0.03 -0.68 0.00 -2.00 0.00 0.00 60.65 57.74 1wgk h LYS 30 Cb 1.20 0.10 -0.23 0.00 -0.90 0.00 0.00 32.23 32.39 1wgk h LYS 30 CO 0.47 -0.15 -0.75 0.15 -2.00 0.00 0.00 179.45 177.18 1wgk s LYS 31 N -4.93 2.88 -0.06 0.07 -0.14 -1.26 -2.49 119.74 113.81 1wgk s LYS 31 Ca -0.15 -0.65 0.03 0.00 -1.36 0.00 0.00 55.97 53.84 1wgk s LYS 31 Cb 0.03 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 1wgk s LYS 31 CO 0.56 0.49 -0.16 -1.01 -0.76 0.00 0.00 175.35 174.47 1wgk s HIS 32 N -0.36 1.68 -0.18 3.18 3.76 0.54 -5.00 115.29 118.91 1wgk s HIS 32 Ca 0.04 -0.57 -0.20 0.00 -0.15 0.00 0.00 55.06 54.19 1wgk s HIS 32 Cb -0.12 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 1wgk s HIS 32 CO 0.02 -0.24 0.57 1.14 -0.85 0.00 0.00 174.74 175.39 1wgk s GLN 33 N 0.33 4.23 0.00 1.40 0.00 -1.26 -0.75 119.66 123.61 1wgk s GLN 33 Ca -0.10 0.54 0.08 0.00 -0.00 0.00 0.00 55.36 55.87 1wgk s GLN 33 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 33.01 29.30 1wgk s GLN 33 CO 0.04 -0.15 -0.23 0.08 0.00 0.00 0.00 175.29 175.03 1wgk s VAL 34 N 1.61 2.36 -0.50 3.63 1.01 -0.09 -4.99 120.40 123.43 1wgk s VAL 34 Ca 0.27 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1wgk s VAL 34 Cb -0.16 -1.90 0.16 0.00 0.00 0.00 0.00 36.38 34.49 1wgk s VAL 34 CO 0.10 0.48 0.35 0.00 0.00 0.00 0.00 175.10 176.04 1wgk s ALA 35 N -0.74 2.22 0.42 5.51 0.00 -1.26 0.00 121.76 127.92 1wgk s ALA 35 Ca 0.11 -2.84 -0.25 0.00 0.00 0.00 0.00 51.96 48.98 1wgk s ALA 35 Cb -0.10 -1.82 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 1wgk s ALA 35 CO 0.01 -2.04 1.26 -0.51 0.00 0.00 0.00 175.76 174.49 1wgk s LEU 36 N -0.25 4.15 0.00 0.00 1.43 0.16 -4.80 118.68 119.37 1wgk s LEU 36 Ca 0.26 2.56 -0.05 0.00 -1.03 0.00 0.00 54.13 55.88 1wgk s LEU 36 Cb -0.06 -4.00 0.07 0.00 0.03 0.00 0.00 46.19 42.22 1wgk s LEU 36 CO -0.13 -0.89 0.25 -0.81 0.23 0.00 0.00 176.35 174.99 1wgk n PRO 37 N -0.07 -1.51 -4.94 1.29 -0.04 -1.26 0.13 135.00 128.60 1wgk n PRO 37 Ca 0.05 -0.39 -0.30 0.00 -0.04 0.00 0.00 63.50 62.82 1wgk n PRO 37 Cb 0.45 -0.37 -0.15 0.00 -0.04 0.00 0.00 33.50 33.39 1wgk n PRO 37 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wgk s GLY 38 N -2.93 1.35 0.27 0.55 0.00 -1.26 -4.08 107.32 101.22 1wgk s GLY 38 Ca 0.16 -1.22 -0.20 0.00 0.00 0.00 0.00 44.72 43.45 1wgk s GLY 38 CO 0.12 -1.10 0.70 -0.86 0.00 0.00 0.00 173.10 171.96 1wgk s GLN 39 N -1.14 1.76 0.33 2.90 -2.07 -1.26 -4.48 119.66 115.70 1wgk s GLN 39 Ca 0.11 -1.00 0.12 0.00 -1.82 0.00 0.00 55.36 52.77 1wgk s GLN 39 Cb -0.10 0.60 0.94 0.00 -1.09 0.00 0.00 33.01 33.36 1wgk s GLN 39 CO 0.02 -0.80 1.73 1.49 -1.32 0.00 0.00 175.29 176.41 1wgk h GLU 40 N 2.02 0.52 -5.62 9.60 4.81 -1.89 -3.39 114.58 120.63 1wgk h GLU 40 Ca -0.20 -0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.35 1wgk h GLU 40 Cb 1.25 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 1wgk h GLU 40 CO 0.24 0.34 -0.55 -1.21 -0.73 0.00 0.00 179.01 177.10 1wgk s GLU 41 N -5.72 3.49 0.61 1.92 2.02 -1.26 -4.99 118.70 114.77 1wgk s GLU 41 Ca -0.10 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 1wgk s GLU 41 Cb 0.27 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1wgk s GLU 41 CO 0.80 0.58 1.12 -1.25 0.02 0.00 0.00 175.26 176.52 1wgk s PRO 42 N -0.49 3.04 -0.22 0.39 0.04 -1.26 -4.96 135.00 131.54 1wgk s PRO 42 Ca 0.10 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1wgk s PRO 42 Cb -0.12 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1wgk s PRO 42 CO 0.02 -1.08 1.40 -1.58 0.04 0.00 0.00 177.00 175.80 1wgk s TRP 43 N -2.09 2.53 0.51 0.56 0.52 -1.26 -4.91 118.94 114.79 1wgk s TRP 43 Ca 0.69 0.77 0.08 0.00 0.02 0.00 0.00 56.10 57.66 1wgk s TRP 43 Cb -0.22 -3.80 0.08 0.00 -1.15 0.00 0.00 33.47 28.38 1wgk s TRP 43 CO 0.35 -2.21 0.65 -0.25 0.02 0.00 0.00 176.95 175.51 1wgk n ASP 44 N 7.46 1.97 -0.06 2.95 8.00 -1.26 -0.76 116.55 134.85 1wgk n ASP 44 Ca 0.16 -2.41 -0.13 0.00 0.71 0.00 0.00 54.79 53.12 1wgk n ASP 44 Cb 0.45 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1wgk n ASP 44 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1wgk h ILE 45 N 0.18 1.33 -0.78 0.53 1.08 -1.72 0.49 117.51 118.61 1wgk h ILE 45 Ca -0.25 -1.26 0.14 0.00 -0.39 0.00 0.00 64.86 63.10 1wgk h ILE 45 Cb 1.10 1.75 -0.09 0.00 -3.07 0.00 0.00 36.82 36.51 1wgk h ILE 45 CO 0.36 0.38 0.35 0.08 -0.69 0.00 0.00 178.15 178.63 1wgk h ARG 46 N 0.09 0.49 0.18 2.37 0.11 -1.81 -2.07 114.38 113.73 1wgk h ARG 46 Ca 0.03 -0.03 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 1wgk h ARG 46 Cb 0.66 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.64 1wgk h ARG 46 CO 0.04 0.32 -1.61 -0.91 0.10 0.00 0.00 179.97 177.91 1wgk h ASN 47 N 0.50 0.60 -0.62 0.08 2.35 -1.84 -3.37 115.58 113.29 1wgk h ASN 47 Ca 0.43 -0.80 0.10 0.00 -0.55 0.00 0.00 56.30 55.48 1wgk h ASN 47 Cb 0.64 -0.20 -0.11 0.00 0.05 0.00 0.00 38.32 38.70 1wgk h ASN 47 CO -0.39 1.66 -0.41 0.25 -1.65 0.00 0.00 177.43 176.89 1wgk h LEU 48 N 0.11 -1.43 -0.76 1.61 5.85 0.64 0.24 115.31 121.56 1wgk h LEU 48 Ca -0.29 0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1wgk h LEU 48 Cb 2.09 0.67 -0.14 0.00 0.37 0.00 0.00 40.66 43.64 1wgk h LEU 48 CO 0.20 -0.32 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.72 1wgk h LEU 49 N -0.19 -0.70 -0.38 2.25 -0.00 -1.57 -1.43 115.31 113.29 1wgk h LEU 49 Ca 0.20 0.23 0.04 0.00 -0.00 0.00 0.00 57.88 58.34 1wgk h LEU 49 Cb 0.56 0.47 -0.05 0.00 -0.00 0.00 0.00 40.66 41.64 1wgk h LEU 49 CO -0.71 -0.25 -0.29 0.58 -0.00 0.00 0.00 178.44 177.77 1wgk h VAL 50 N 0.00 0.00 -0.53 1.22 2.07 -1.11 1.32 116.25 119.22 1wgk h VAL 50 Ca 0.36 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.97 1wgk h VAL 50 Cb 0.55 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1wgk h VAL 50 CO -0.78 0.00 0.14 -0.25 0.02 0.00 0.00 177.57 176.70 1wgk h TRP 51 N -0.09 0.23 0.00 1.57 7.01 -1.29 0.29 115.95 123.68 1wgk h TRP 51 Ca 0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1wgk h TRP 51 Cb 0.25 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1wgk h TRP 51 CO -0.85 0.03 -0.06 0.82 -2.79 0.00 0.00 178.44 175.59 1wgk h ILE 52 N 0.29 0.32 0.00 2.65 2.04 -0.08 1.03 117.51 123.76 1wgk h ILE 52 Ca 0.26 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1wgk h ILE 52 Cb 0.34 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1wgk h ILE 52 CO -0.32 0.06 -1.09 0.11 0.00 0.00 0.00 178.15 176.92 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 0.45 0.37 116.57 121.32 1wgk h LYS 53 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wgk h LYS 53 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wgk h LYS 53 CO 0.01 0.12 -0.74 1.63 -0.57 0.00 0.00 179.45 179.89 1wgk n LYS 54 N -2.79 0.39 0.00 3.15 4.01 0.74 -4.24 118.16 119.42 1wgk n LYS 54 Ca -0.03 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1wgk n LYS 54 Cb 0.66 -1.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.00 1wgk n LYS 54 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1wgk n ASN 55 N -4.01 0.00 0.13 4.39 3.02 0.35 -4.19 115.26 114.94 1wgk n ASN 55 Ca -0.10 0.65 -0.13 0.00 -0.03 0.00 0.00 54.58 54.96 1wgk n ASN 55 Cb 0.39 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 1wgk n ASN 55 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wgk h LEU 56 N 0.00 -1.22 -9.73 3.41 5.85 -1.62 -3.41 115.31 108.60 1wgk h LEU 56 Ca 0.00 0.12 -0.51 0.00 0.84 0.00 0.00 57.88 58.33 1wgk h LEU 56 Cb 0.00 0.44 0.02 0.00 0.37 0.00 0.00 40.66 41.49 1wgk h LEU 56 CO 0.00 -0.47 0.53 -0.22 -0.34 0.00 0.00 178.44 177.94 1wgk s LEU 57 N -9.02 4.48 0.00 2.25 2.96 0.13 -4.66 118.68 114.82 1wgk s LEU 57 Ca -0.13 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1wgk s LEU 57 Cb 0.04 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1wgk s LEU 57 CO 0.48 -0.30 0.20 0.29 -1.32 0.00 0.00 176.35 175.70 1wgk n LYS 58 N 1.90 2.82 -1.98 1.98 4.76 -1.24 -3.97 118.16 122.43 1wgk n LYS 58 Ca 0.02 -0.20 -0.10 0.00 -2.87 0.00 0.00 58.31 55.15 1wgk n LYS 58 Cb 0.44 -0.66 0.04 0.00 -1.84 0.00 0.00 35.03 33.01 1wgk n LYS 58 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wgk n GLU 59 N -0.46 0.71 -1.74 1.97 -0.58 -1.26 -5.02 120.64 114.26 1wgk n GLU 59 Ca 0.00 -1.61 -0.42 0.00 -0.42 0.00 0.00 57.16 54.70 1wgk n GLU 59 Cb 0.02 -0.16 -0.03 0.00 -0.57 0.00 0.00 31.44 30.70 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wgk s ARG 60 N -3.45 3.90 -0.01 3.49 1.81 -1.26 -4.90 118.95 118.53 1wgk s ARG 60 Ca 0.32 2.34 -0.25 0.00 -1.72 0.00 0.00 55.73 56.43 1wgk s ARG 60 Cb -0.02 -4.17 -0.19 0.00 -0.45 0.00 0.00 34.95 30.11 1wgk s ARG 60 CO 0.21 -1.22 1.28 -1.00 -0.68 0.00 0.00 175.30 173.88 1wgk h PRO 61 N 11.43 0.05 -0.98 3.54 0.13 -1.88 -3.08 132.00 141.22 1wgk h PRO 61 Ca -0.45 -0.03 0.29 0.00 -0.87 0.00 0.00 66.00 64.94 1wgk h PRO 61 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1wgk h PRO 61 CO 0.95 0.52 1.05 1.05 -0.23 0.00 0.00 178.00 181.34 1wgk h GLU 62 N -0.42 0.00 0.00 0.86 4.11 -1.88 0.90 114.58 118.15 1wgk h GLU 62 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1wgk h GLU 62 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wgk h GLU 62 CO 0.01 0.00 -0.10 -0.07 0.07 0.00 0.00 179.01 178.92 1wgk h LEU 63 N 0.00 0.00 0.24 3.06 4.07 -1.94 -3.40 115.31 117.34 1wgk h LEU 63 Ca 0.47 -0.60 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1wgk h LEU 63 Cb 2.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.30 1wgk h LEU 63 CO -0.00 0.86 -0.12 0.15 -1.08 0.00 0.00 178.44 178.25 1wgk h PHE 64 N -1.00 -0.30 -3.94 1.13 3.57 -0.52 -3.46 116.94 112.41 1wgk h PHE 64 Ca -0.02 -0.01 -0.38 0.00 3.53 0.00 0.00 57.97 61.09 1wgk h PHE 64 Cb 0.67 0.10 -0.29 0.00 2.79 0.00 0.00 35.95 39.22 1wgk h PHE 64 CO 0.16 0.04 -0.77 0.42 -2.23 0.00 0.00 178.31 175.92 1wgk s ILE 65 N -3.39 0.64 -0.24 1.41 1.01 0.28 -4.36 121.20 116.55 1wgk s ILE 65 Ca -0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1wgk s ILE 65 Cb 0.01 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1wgk s ILE 65 CO 0.39 0.19 0.05 -1.58 0.00 0.00 0.00 174.94 173.99 1wgk s GLN 66 N -0.06 3.62 0.81 2.79 0.74 -1.23 -3.02 119.66 123.31 1wgk s GLN 66 Ca 0.01 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.93 1wgk s GLN 66 Cb -0.05 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1wgk s GLN 66 CO -0.00 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 1wgk n GLY 67 N 4.87 -1.80 0.30 2.59 0.00 -1.26 -3.67 105.19 106.22 1wgk n GLY 67 Ca -0.16 -1.27 0.20 0.00 0.00 0.00 0.00 46.02 44.78 1wgk n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wgk h ASP 68 N -0.38 0.00 -2.92 1.61 3.32 -1.95 -3.42 116.42 112.68 1wgk h ASP 68 Ca 0.01 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 1wgk h ASP 68 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1wgk h ASP 68 CO 0.00 0.00 -0.41 -0.44 -1.72 0.00 0.00 179.24 176.68 1wgk s SER 69 N -4.86 6.40 0.15 6.45 0.01 -1.24 -4.62 113.70 115.99 1wgk s SER 69 Ca -0.04 0.38 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 1wgk s SER 69 Cb 0.11 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 64.27 1wgk s SER 69 CO 0.35 0.08 0.93 0.68 0.41 0.00 0.00 173.24 175.69 1wgk s VAL 70 N -1.66 4.38 0.91 3.43 -7.23 -1.26 -3.52 120.40 115.46 1wgk s VAL 70 Ca 0.37 2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 62.40 1wgk s VAL 70 Cb -0.12 -4.30 -0.14 0.00 0.56 0.00 0.00 36.38 32.38 1wgk s VAL 70 CO 0.27 0.39 -0.73 0.54 -0.31 0.00 0.00 175.10 175.26 1wgk n ARG 71 N 2.34 0.00 0.00 4.82 1.74 -1.26 -4.72 116.66 119.57 1wgk n ARG 71 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1wgk n ARG 71 Cb 0.49 -0.94 0.30 0.00 -1.02 0.00 0.00 32.46 31.28 1wgk n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wgk n PRO 72 N 2.30 0.49 -0.03 5.56 -0.04 -1.26 -2.61 135.00 139.40 1wgk n PRO 72 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 1wgk n PRO 72 Cb 0.52 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 1wgk n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wgk n GLY 73 N -0.02 -0.34 3.59 0.55 0.00 -1.26 -4.95 105.19 102.77 1wgk n GLY 73 Ca 0.07 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1wgk n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgk s ILE 74 N -2.17 3.73 -0.44 -0.61 -1.09 -1.07 -3.92 121.20 115.62 1wgk s ILE 74 Ca -0.03 0.71 -0.20 0.00 -2.23 0.00 0.00 60.65 58.90 1wgk s ILE 74 Cb 0.02 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1wgk s ILE 74 CO 0.28 -0.72 0.60 -0.76 -1.23 0.00 0.00 174.94 173.12 1wgk s LEU 75 N 6.18 4.58 0.27 2.97 1.43 0.15 -4.76 118.68 129.49 1wgk s LEU 75 Ca 0.66 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1wgk s LEU 75 Cb -0.16 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1wgk s LEU 75 CO 0.31 -0.74 0.49 0.68 0.23 0.00 0.00 176.35 177.32 1wgk s VAL 76 N 2.68 5.11 -0.11 -1.59 -7.23 -1.26 -0.16 120.40 117.85 1wgk s VAL 76 Ca 0.20 -0.21 -0.04 0.00 -1.81 0.00 0.00 61.98 60.13 1wgk s VAL 76 Cb -0.15 -3.76 0.05 0.00 0.56 0.00 0.00 36.38 33.09 1wgk s VAL 76 CO 0.18 -0.31 0.21 -0.76 -0.31 0.00 0.00 175.10 174.11 1wgk s LEU 77 N -3.60 -0.14 -0.23 1.32 1.43 -0.06 -4.03 118.68 113.36 1wgk s LEU 77 Ca 0.41 0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 53.79 1wgk s LEU 77 Cb -0.11 0.49 -0.03 0.00 0.03 0.00 0.00 46.19 46.57 1wgk s LEU 77 CO 0.31 -0.24 0.50 -0.63 0.23 0.00 0.00 176.35 176.52 1wgk s ILE 78 N 2.28 5.10 -1.68 -0.59 1.01 -0.77 -0.30 121.20 126.25 1wgk s ILE 78 Ca 0.01 0.89 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 1wgk s ILE 78 Cb -0.12 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.63 1wgk s ILE 78 CO -0.07 0.14 0.32 0.59 0.00 0.00 0.00 174.94 175.92 1wgk n ASN 79 N 5.09 -0.52 -3.13 3.58 3.02 -0.23 0.20 115.26 123.28 1wgk n ASN 79 Ca -0.05 -1.23 -0.15 0.00 -0.03 0.00 0.00 54.58 53.12 1wgk n ASN 79 Cb 0.50 -1.79 0.08 0.00 -0.61 0.00 0.00 39.78 37.96 1wgk n ASN 79 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wgk n ASP 80 N -2.71 -2.27 -3.42 6.41 8.00 -1.26 -5.02 116.55 116.27 1wgk n ASP 80 Ca -0.13 -0.54 -0.03 0.00 0.71 0.00 0.00 54.79 54.81 1wgk n ASP 80 Cb 0.59 -4.54 -0.05 0.00 -0.02 0.00 0.00 41.12 37.10 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgk s ALA 81 N -3.31 -1.74 -0.50 2.24 0.00 0.13 -5.11 121.76 113.48 1wgk s ALA 81 Ca 0.03 1.71 -0.45 0.00 0.00 0.00 0.00 51.96 53.25 1wgk s ALA 81 Cb -0.01 -1.80 -0.19 0.00 0.00 0.00 0.00 23.12 21.12 1wgk s ALA 81 CO 0.64 -1.10 1.90 -0.25 0.00 0.00 0.00 175.76 176.94 1wgk n ASP 82 N 5.41 0.94 0.08 0.00 8.00 -1.26 -1.85 116.55 127.88 1wgk n ASP 82 Ca -0.06 0.89 0.05 0.00 0.71 0.00 0.00 54.79 56.38 1wgk n ASP 82 Cb 0.50 -0.89 0.27 0.00 -0.02 0.00 0.00 41.12 40.98 1wgk n ASP 82 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1wgk n TRP 83 N 5.96 0.33 0.10 1.24 4.27 -1.26 -0.77 117.44 127.31 1wgk n TRP 83 Ca 0.44 0.17 -0.15 0.00 -3.89 0.00 0.00 57.50 54.07 1wgk n TRP 83 Cb -0.05 -0.73 -0.11 0.00 -1.36 0.00 0.00 31.31 29.06 1wgk n TRP 83 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1wgk h GLU 84 N 0.00 0.31 0.00 -2.67 5.08 -1.89 0.34 114.58 115.76 1wgk h GLU 84 Ca 0.00 -0.47 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1wgk h GLU 84 Cb 0.13 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wgk h GLU 84 CO 0.00 1.19 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.86 1wgk h LEU 85 N 0.11 0.00 0.00 1.33 4.07 -1.30 -3.36 115.31 116.17 1wgk h LEU 85 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1wgk h LEU 85 Cb 1.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.61 1wgk h LEU 85 CO 0.20 0.28 -0.77 0.18 -1.08 0.00 0.00 178.44 177.24 1wgk n LEU 86 N -3.61 1.55 0.00 1.67 4.77 -1.21 -5.05 117.00 115.12 1wgk n LEU 86 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1wgk n LEU 86 Cb 0.41 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1wgk n LEU 86 CO 0.35 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1wgk n GLY 87 N 1.48 -1.23 0.00 -0.72 0.00 0.68 -4.83 105.19 100.57 1wgk n GLY 87 Ca -0.11 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1wgk n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgk n GLU 88 N 0.00 0.00 -0.76 1.61 4.71 0.88 -0.02 120.64 127.06 1wgk n GLU 88 Ca 0.00 0.52 0.08 0.00 -0.01 0.00 0.00 57.16 57.74 1wgk n GLU 88 Cb 0.00 -0.89 0.37 0.00 -1.01 0.00 0.00 31.44 29.91 1wgk n GLU 88 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1wgk n LEU 89 N -1.60 5.21 -0.01 -4.62 4.77 -1.26 -4.17 117.00 115.32 1wgk n LEU 89 Ca 0.00 -2.82 0.06 0.00 -0.03 0.00 0.00 56.01 53.22 1wgk n LEU 89 Cb 0.00 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 1wgk n LEU 89 CO 0.00 0.68 -0.66 -0.67 -1.33 0.00 0.00 177.39 175.41 1wgk n ASP 90 N 0.57 2.17 -4.75 -1.43 2.03 -0.58 -4.53 116.55 110.02 1wgk n ASP 90 Ca 0.26 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.16 1wgk n ASP 90 Cb 1.07 1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 42.97 1wgk n ASP 90 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1wgk s TYR 91 N -2.83 3.20 -0.29 -0.67 6.14 0.97 -4.94 117.35 118.94 1wgk s TYR 91 Ca -0.05 1.35 0.03 0.00 0.64 0.00 0.00 57.07 59.05 1wgk s TYR 91 Cb 0.08 -3.60 0.07 0.00 0.42 0.00 0.00 41.96 38.93 1wgk s TYR 91 CO 0.51 -1.73 -0.05 -0.65 0.64 0.00 0.00 175.55 174.27 1wgk s GLN 92 N -0.98 1.93 0.62 4.97 -0.21 -1.26 -2.36 119.66 122.38 1wgk s GLN 92 Ca 0.52 -1.52 -0.18 0.00 0.02 0.00 0.00 55.36 54.20 1wgk s GLN 92 Cb -0.37 -2.98 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 1wgk s GLN 92 CO 0.45 -0.71 1.24 -0.51 -2.12 0.00 0.00 175.29 173.64 1wgk s LEU 93 N 1.05 3.61 0.09 2.90 1.43 0.06 -4.95 118.68 122.86 1wgk s LEU 93 Ca -0.02 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1wgk s LEU 93 Cb -0.20 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.42 1wgk s LEU 93 CO -0.06 -1.80 0.00 0.00 0.23 0.00 0.00 176.35 174.71 1wgk n GLN 94 N -1.79 0.00 -3.67 1.70 0.00 -1.26 -4.12 117.38 108.24 1wgk n GLN 94 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.15 1wgk n GLN 94 Cb 0.49 -0.45 -0.00 0.00 0.00 0.00 0.00 30.24 30.27 1wgk n GLN 94 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1wgk s ASP 95 N -5.90 -0.08 0.00 2.61 -4.77 -1.26 -4.67 116.67 102.59 1wgk s ASP 95 Ca 0.00 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 1wgk s ASP 95 Cb 0.00 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 42.07 1wgk s ASP 95 CO 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 175.17 175.42 1wgk n GLN 96 N -0.51 -2.19 -3.42 2.11 1.13 -0.90 -4.84 117.38 108.76 1wgk n GLN 96 Ca -0.07 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.61 1wgk n GLN 96 Cb 0.62 -4.09 -0.06 0.00 0.11 0.00 0.00 30.24 26.82 1wgk n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wgk s ASP 97 N -1.55 6.68 -0.24 1.08 1.01 -1.25 -4.92 116.67 117.47 1wgk s ASP 97 Ca 0.00 0.80 -0.09 0.00 0.71 0.00 0.00 52.55 53.98 1wgk s ASP 97 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1wgk s ASP 97 CO 0.00 0.13 0.11 -0.44 0.21 0.00 0.00 175.17 175.18 1wgk s SER 98 N 0.02 5.58 -0.20 0.27 0.01 -1.26 -1.96 113.70 116.15 1wgk s SER 98 Ca 0.23 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.38 1wgk s SER 98 Cb -0.15 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1wgk s SER 98 CO 0.10 0.01 0.01 -0.63 0.41 0.00 0.00 173.24 173.15 1wgk s ILE 99 N 1.34 4.08 0.02 1.44 -1.09 -0.12 -1.07 121.20 125.80 1wgk s ILE 99 Ca 0.06 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1wgk s ILE 99 Cb -0.15 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1wgk s ILE 99 CO 0.05 0.42 0.09 -0.22 -1.23 0.00 0.00 174.94 174.06 1wgk s LEU 100 N 0.96 3.92 -0.19 2.97 2.96 0.59 -1.57 118.68 128.32 1wgk s LEU 100 Ca 0.02 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1wgk s LEU 100 Cb -0.14 -2.37 0.07 0.00 0.50 0.00 0.00 46.19 44.24 1wgk s LEU 100 CO 0.02 0.24 0.12 -0.36 -1.32 0.00 0.00 176.35 175.05 1wgk s PHE 101 N -1.26 0.11 -0.23 5.38 0.40 0.09 -0.89 117.98 121.57 1wgk s PHE 101 Ca 0.25 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 56.21 1wgk s PHE 101 Cb -0.12 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 1wgk s PHE 101 CO 0.17 -0.56 0.15 0.42 0.70 0.00 0.00 175.22 176.10 1wgk s ILE 102 N 2.17 5.35 -0.68 0.64 1.01 0.78 -2.73 121.20 127.74 1wgk s ILE 102 Ca 0.04 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1wgk s ILE 102 Cb -0.16 -3.49 0.18 0.00 0.01 0.00 0.00 42.46 39.00 1wgk s ILE 102 CO -0.13 0.36 0.61 -0.94 0.00 0.00 0.00 174.94 174.85 1wgk s SER 103 N 0.93 6.32 -0.48 3.58 1.04 -1.26 -0.68 113.70 123.16 1wgk s SER 103 Ca 0.08 -2.36 0.06 0.00 0.48 0.00 0.00 55.95 54.20 1wgk s SER 103 Cb -0.13 -2.15 0.40 0.00 0.10 0.00 0.00 66.02 64.23 1wgk s SER 103 CO 0.03 -0.65 1.05 1.07 0.98 0.00 0.00 173.24 175.72 1wgk n THR 104 N 4.40 2.49 -4.11 2.02 5.66 -1.25 -4.81 114.28 118.67 1wgk n THR 104 Ca 0.03 -5.05 -0.17 0.00 -3.05 0.00 0.00 64.05 55.80 1wgk n THR 104 Cb 0.43 -1.22 -0.15 0.00 -1.55 0.00 0.00 70.33 67.84 1wgk n THR 104 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1wgk s LEU 105 N -3.49 1.65 -0.39 1.09 0.05 -1.26 -4.93 118.68 111.40 1wgk s LEU 105 Ca 0.47 -0.09 0.02 0.00 0.05 0.00 0.00 54.13 54.58 1wgk s LEU 105 Cb 0.37 -0.30 0.12 0.00 -2.05 0.00 0.00 46.19 44.32 1wgk s LEU 105 CO -0.16 -0.00 0.17 -2.28 -0.55 0.00 0.00 176.35 173.52 1wgk s HIS 106 N 0.39 2.30 0.00 3.48 2.46 -1.26 -5.08 115.29 117.58 1wgk s HIS 106 Ca -0.04 -2.39 0.00 0.00 0.47 0.00 0.00 55.06 53.10 1wgk s HIS 106 Cb -0.08 -2.10 0.00 0.00 -0.13 0.00 0.00 32.58 30.27 1wgk s HIS 106 CO -0.00 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 171.84 1wgk n GLY 107 N 4.00 3.32 0.00 1.59 0.00 -1.26 -4.99 105.19 107.84 1wgk n GLY 107 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1wgk n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgk n GLY 108 N 0.00 -2.40 3.53 -0.02 0.00 -1.26 -5.01 105.19 100.03 1wgk n GLY 108 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1wgk n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgk s SER 109 N -0.89 6.49 0.00 1.61 1.04 -1.26 -4.18 113.70 116.50 1wgk s SER 109 Ca 0.00 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1wgk s SER 109 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wgk s SER 109 CO 0.00 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1wgk n GLY 110 N 6.43 0.18 3.77 7.32 0.00 -1.26 -5.07 105.19 116.56 1wgk n GLY 110 Ca 0.27 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1wgk n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgk s PRO 111 N -2.34 3.05 -0.07 1.61 0.04 -1.26 -4.99 135.00 131.04 1wgk s PRO 111 Ca 0.00 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1wgk s PRO 111 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wgk s PRO 111 CO 0.00 -1.07 -0.07 -1.13 0.04 0.00 0.00 177.00 174.77 1wgk n SER 112 N -1.91 2.22 -0.05 6.66 3.41 -1.26 -4.87 113.62 117.82 1wgk n SER 112 Ca 0.11 0.02 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1wgk n SER 112 Cb 0.51 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1wgk n SER 112 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wgk h SER 113 N -0.11 0.00 0.00 4.04 0.87 -2.03 -3.56 113.55 112.75 1wgk h SER 113 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1wgk h SER 113 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1wgk h SER 113 CO -0.06 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 177.36