#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgk s SER 2 N 0.00 3.58 0.50 1.61 0.15 -1.26 -5.13 113.70 113.15 1wgk s SER 2 Ca 0.00 -0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.32 1wgk s SER 2 Cb 0.00 -1.02 0.03 0.00 -1.71 0.00 0.00 66.02 63.32 1wgk s SER 2 CO 0.00 0.26 0.70 -0.44 1.20 0.00 0.00 173.24 174.96 1wgk s SER 3 N -0.22 5.39 0.00 5.45 0.01 -1.26 -5.07 113.70 118.01 1wgk s SER 3 Ca -0.01 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1wgk s SER 3 Cb -0.13 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1wgk s SER 3 CO 0.03 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1wgk n GLY 4 N -2.16 -0.49 0.13 3.44 0.00 -1.26 -4.99 105.19 99.86 1wgk n GLY 4 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1wgk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgk n SER 5 N 0.00 2.04 -4.04 1.61 2.88 -1.26 -4.83 113.62 110.01 1wgk n SER 5 Ca 0.00 0.28 -0.36 0.00 -1.33 0.00 0.00 58.87 57.46 1wgk n SER 5 Cb 0.00 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.50 1wgk n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wgk n SER 6 N -3.81 -1.50 0.00 -3.46 3.41 -1.26 -3.53 113.62 103.46 1wgk n SER 6 Ca -0.33 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1wgk n SER 6 Cb 0.92 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1wgk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgk n GLY 7 N -0.98 1.12 3.66 5.00 0.00 -1.26 -5.04 105.19 107.70 1wgk n GLY 7 Ca 0.10 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.63 1wgk n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wgk n MET 8 N 0.00 1.94 -0.51 1.61 0.00 -1.23 -4.94 117.12 113.98 1wgk n MET 8 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 57.70 58.10 1wgk n MET 8 Cb 0.00 -2.31 0.24 0.00 0.00 0.00 0.00 33.22 31.15 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk n ALA 9 N 1.61 -2.74 -2.60 3.04 0.00 -1.26 -4.77 120.51 113.80 1wgk n ALA 9 Ca 0.11 -1.11 -0.30 0.00 0.00 0.00 0.00 53.44 52.14 1wgk n ALA 9 Cb 0.31 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 1wgk n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgk s ALA 10 N -2.42 3.71 0.46 0.00 0.00 -1.26 -4.13 121.76 118.11 1wgk s ALA 10 Ca 0.68 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 1wgk s ALA 10 Cb -0.24 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1wgk s ALA 10 CO 0.64 0.44 1.16 -1.25 0.00 0.00 0.00 175.76 176.76 1wgk s PRO 11 N -3.14 3.75 0.07 0.00 0.04 -1.26 -4.18 135.00 130.27 1wgk s PRO 11 Ca 0.42 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1wgk s PRO 11 Cb -0.11 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1wgk s PRO 11 CO 0.27 -0.56 0.11 -0.51 0.04 0.00 0.00 177.00 176.35 1wgk s LEU 12 N -3.04 3.94 -0.20 -3.56 1.43 0.16 -4.90 118.68 112.51 1wgk s LEU 12 Ca 0.64 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1wgk s LEU 12 Cb -0.28 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.40 1wgk s LEU 12 CO 0.34 0.18 -0.12 0.00 0.23 0.00 0.00 176.35 176.99 1wgk s VAL 14 N 1.36 1.97 -0.32 0.00 -7.23 0.23 -1.86 120.40 114.55 1wgk s VAL 14 Ca -0.00 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1wgk s VAL 14 Cb -0.16 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1wgk s VAL 14 CO -0.09 -0.10 0.20 -0.54 -0.31 0.00 0.00 175.10 174.25 1wgk s LYS 15 N -2.30 3.52 -0.18 4.82 1.02 -1.05 -0.19 119.74 125.39 1wgk s LYS 15 Ca 0.13 -0.61 -0.09 0.00 0.02 0.00 0.00 55.97 55.41 1wgk s LYS 15 Cb -0.09 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 1wgk s LYS 15 CO 0.06 -0.38 0.13 0.08 -0.92 0.00 0.00 175.35 174.32 1wgk s VAL 16 N 1.69 5.41 -0.09 3.17 1.01 -0.44 -2.18 120.40 128.96 1wgk s VAL 16 Ca 0.06 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1wgk s VAL 16 Cb -0.17 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1wgk s VAL 16 CO 0.09 0.48 -0.10 -0.70 0.00 0.00 0.00 175.10 174.87 1wgk s GLU 17 N 0.07 1.62 -0.13 2.72 2.12 -0.99 -0.11 118.70 123.99 1wgk s GLU 17 Ca 0.09 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.05 1wgk s GLU 17 Cb -0.11 -1.51 -0.03 0.00 0.26 0.00 0.00 34.13 32.74 1wgk s GLU 17 CO -0.01 -0.12 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.52 1wgk s PHE 18 N 1.19 3.09 -0.32 5.30 0.08 -1.15 -1.60 117.98 124.57 1wgk s PHE 18 Ca -0.05 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.92 1wgk s PHE 18 Cb -0.14 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.50 1wgk s PHE 18 CO -0.02 0.17 0.13 0.20 -0.10 0.00 0.00 175.22 175.59 1wgk s GLY 19 N -0.07 0.98 0.00 4.36 0.00 -0.95 -4.54 107.32 107.09 1wgk s GLY 19 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1wgk s GLY 19 CO 0.02 1.75 0.00 0.61 0.00 0.00 0.00 173.10 175.48 1wgk n GLY 20 N 4.74 0.00 2.84 0.20 0.00 -1.26 -3.92 105.19 107.79 1wgk n GLY 20 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wgk n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgk n GLY 21 N 0.00 0.77 0.12 -0.02 0.00 -1.26 -4.62 105.19 100.18 1wgk n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.59 -0.29 4.61 0.00 -1.89 -3.24 119.26 119.04 1wgk h ALA 22 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 54.42 1wgk h ALA 22 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wgk h ALA 22 CO 0.00 0.79 0.28 1.05 0.00 0.00 0.00 179.25 181.37 1wgk h GLU 23 N 0.00 0.00 0.00 0.00 9.09 -1.82 0.20 114.58 122.05 1wgk h GLU 23 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 1wgk h GLU 23 Cb 1.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.58 1wgk h GLU 23 CO 0.08 0.00 -0.19 -0.07 0.05 0.00 0.00 179.01 178.88 1wgk h LEU 24 N 0.00 0.00 0.00 3.06 3.38 -1.86 -1.35 115.31 118.54 1wgk h LEU 24 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wgk h LEU 24 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wgk h LEU 24 CO -0.00 0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1wgk n LEU 25 N -3.67 0.00 -3.64 1.67 4.77 0.72 -3.63 117.00 113.23 1wgk n LEU 25 Ca -0.01 0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1wgk n LEU 25 Cb 0.31 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1wgk n LEU 25 CO 0.32 -0.04 -0.17 0.49 -1.33 0.00 0.00 177.39 176.66 1wgk n PHE 26 N -1.32 1.23 -2.09 -1.77 3.01 -0.60 -3.62 117.46 112.30 1wgk n PHE 26 Ca 0.11 -3.82 -0.07 0.00 1.01 0.00 0.00 57.45 54.68 1wgk n PHE 26 Cb 0.22 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1wgk n PHE 26 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wgk n ASP 27 N 2.33 -2.34 -3.59 4.37 9.92 -1.26 -2.47 116.55 123.51 1wgk n ASP 27 Ca 0.25 0.28 -0.24 0.00 -0.53 0.00 0.00 54.79 54.55 1wgk n ASP 27 Cb 0.42 -2.16 0.01 0.00 -0.64 0.00 0.00 41.12 38.75 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wgk n GLY 28 N -0.50 -0.97 2.99 0.44 0.00 -0.67 -5.00 105.19 101.48 1wgk n GLY 28 Ca -0.08 0.75 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.63 0.03 -0.04 1.61 1.01 -0.98 -4.91 120.40 114.49 1wgk s VAL 29 Ca 0.10 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1wgk s VAL 29 Cb -0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 36.38 36.00 1wgk s VAL 29 CO 0.87 -0.16 0.95 0.07 0.00 0.00 0.00 175.10 176.83 1wgk h LYS 30 N 5.46 -0.20 -5.50 2.72 2.10 -1.90 -3.43 116.57 115.83 1wgk h LYS 30 Ca -0.27 0.01 -0.66 0.00 -2.00 0.00 0.00 60.65 57.73 1wgk h LYS 30 Cb 1.20 0.05 -0.26 0.00 -0.90 0.00 0.00 32.23 32.32 1wgk h LYS 30 CO 0.44 0.24 -0.76 0.15 -2.00 0.00 0.00 179.45 177.51 1wgk s LYS 31 N -3.60 3.24 -0.24 0.07 1.02 -1.26 -2.92 119.74 116.05 1wgk s LYS 31 Ca -0.13 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.19 1wgk s LYS 31 Cb 0.01 -2.59 0.06 0.00 -0.52 0.00 0.00 37.83 34.78 1wgk s LYS 31 CO 0.51 0.29 -0.08 -1.01 -0.92 0.00 0.00 175.35 174.14 1wgk s HIS 32 N 0.15 2.66 -0.73 3.18 3.76 0.84 -4.96 115.29 120.19 1wgk s HIS 32 Ca -0.07 -1.91 -0.26 0.00 -0.15 0.00 0.00 55.06 52.67 1wgk s HIS 32 Cb -0.15 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1wgk s HIS 32 CO 0.05 -0.80 1.56 1.14 -0.85 0.00 0.00 174.74 175.84 1wgk s GLN 33 N 1.31 2.97 0.13 1.40 -2.07 -1.26 -1.32 119.66 120.82 1wgk s GLN 33 Ca -0.06 -0.02 -0.24 0.00 -1.82 0.00 0.00 55.36 53.22 1wgk s GLN 33 Cb -0.19 -4.44 -0.07 0.00 -1.09 0.00 0.00 33.01 27.22 1wgk s GLN 33 CO -0.06 -2.46 0.75 0.08 -1.32 0.00 0.00 175.29 172.27 1wgk s VAL 34 N 7.23 4.48 -0.50 3.63 1.01 0.73 -4.92 120.40 132.06 1wgk s VAL 34 Ca 0.51 1.63 0.03 0.00 0.00 0.00 0.00 61.98 64.15 1wgk s VAL 34 Cb -0.09 -4.10 0.14 0.00 0.00 0.00 0.00 36.38 32.33 1wgk s VAL 34 CO 0.13 0.50 0.28 0.00 0.00 0.00 0.00 175.10 176.01 1wgk s ALA 35 N -0.93 2.77 0.41 5.51 0.00 -1.26 -0.60 121.76 127.67 1wgk s ALA 35 Ca 0.35 -3.00 -0.25 0.00 0.00 0.00 0.00 51.96 49.07 1wgk s ALA 35 Cb -0.22 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.80 1wgk s ALA 35 CO 0.25 -2.05 1.17 -0.51 0.00 0.00 0.00 175.76 174.62 1wgk s LEU 36 N -0.11 4.15 0.00 0.00 1.43 0.24 -4.81 118.68 119.58 1wgk s LEU 36 Ca 0.19 2.35 -0.18 0.00 -1.03 0.00 0.00 54.13 55.45 1wgk s LEU 36 Cb -0.22 -4.07 0.27 0.00 0.03 0.00 0.00 46.19 42.20 1wgk s LEU 36 CO -0.02 -0.73 0.95 -0.81 0.23 0.00 0.00 176.35 175.97 1wgk n PRO 37 N -0.05 -2.89 -5.01 1.29 -0.04 -1.26 0.37 135.00 127.42 1wgk n PRO 37 Ca 0.05 -1.52 -0.32 0.00 -0.04 0.00 0.00 63.50 61.66 1wgk n PRO 37 Cb 0.47 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 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 -4.21 1.39 0.23 0.55 0.00 -1.26 -4.12 107.32 99.91 1wgk s GLY 38 Ca 0.62 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 1wgk s GLY 38 CO 0.47 -0.24 0.25 -0.86 0.00 0.00 0.00 173.10 172.73 1wgk s GLN 39 N 0.42 1.36 0.32 2.90 -2.07 -1.26 -4.24 119.66 117.09 1wgk s GLN 39 Ca -0.15 -1.55 0.09 0.00 -1.82 0.00 0.00 55.36 51.93 1wgk s GLN 39 Cb -0.17 0.34 0.90 0.00 -1.09 0.00 0.00 33.01 32.99 1wgk s GLN 39 CO 0.06 -0.49 1.68 1.49 -1.32 0.00 0.00 175.29 176.71 1wgk h GLU 40 N 2.47 0.37 -5.85 9.60 4.81 -1.94 -3.37 114.58 120.68 1wgk h GLU 40 Ca -0.32 -0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.22 1wgk h GLU 40 Cb 1.25 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1wgk h GLU 40 CO 0.47 0.25 -0.54 -1.21 -0.73 0.00 0.00 179.01 177.24 1wgk s GLU 41 N -5.78 3.24 0.80 1.92 2.02 -1.26 -4.97 118.70 114.67 1wgk s GLU 41 Ca -0.11 -0.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1wgk s GLU 41 Cb 0.28 -3.00 0.07 0.00 0.10 0.00 0.00 34.13 31.59 1wgk s GLU 41 CO 0.79 0.71 1.09 -1.25 0.02 0.00 0.00 175.26 176.61 1wgk s PRO 42 N -1.39 2.01 -0.17 0.39 0.04 -1.26 -4.99 135.00 129.63 1wgk s PRO 42 Ca 0.19 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.03 1wgk s PRO 42 Cb -0.12 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1wgk s PRO 42 CO 0.09 -1.79 0.97 -1.58 0.04 0.00 0.00 177.00 174.73 1wgk s TRP 43 N -2.91 3.42 0.29 0.56 0.52 -1.26 -4.98 118.94 114.58 1wgk s TRP 43 Ca 0.62 1.45 0.08 0.00 0.02 0.00 0.00 56.10 58.27 1wgk s TRP 43 Cb -0.17 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 1wgk s TRP 43 CO 0.56 -0.33 0.14 0.16 0.02 0.00 0.00 176.95 177.51 1wgk s ASP 44 N 1.16 5.02 0.24 2.95 1.47 -1.26 -1.20 116.67 125.05 1wgk s ASP 44 Ca 0.44 -0.52 -0.06 0.00 1.18 0.00 0.00 52.55 53.58 1wgk s ASP 44 Cb -0.17 -1.02 0.43 0.00 -0.34 0.00 0.00 42.92 41.82 1wgk s ASP 44 CO 0.12 -0.14 1.66 0.40 0.68 0.00 0.00 175.17 177.89 1wgk h ILE 45 N 1.57 0.44 -0.66 2.11 1.08 -1.67 0.17 117.51 120.55 1wgk h ILE 45 Ca -0.46 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.02 1wgk h ILE 45 Cb 1.25 0.25 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 1wgk h ILE 45 CO 0.61 0.03 -0.44 -0.09 -0.69 0.00 0.00 178.15 177.57 1wgk h ARG 46 N 0.18 -0.06 -0.17 2.37 2.43 -1.82 -1.60 114.38 115.71 1wgk h ARG 46 Ca 0.40 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 1wgk h ARG 46 Cb 0.70 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1wgk h ARG 46 CO -0.57 -0.04 -0.13 -0.91 -1.51 0.00 0.00 179.97 176.80 1wgk h ASN 47 N -0.06 0.41 -0.74 -3.80 2.35 -1.71 -3.16 115.58 108.86 1wgk h ASN 47 Ca 0.11 -0.46 0.30 0.00 -0.55 0.00 0.00 56.30 55.70 1wgk h ASN 47 Cb 0.34 -0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.46 1wgk h ASN 47 CO -0.66 0.78 0.36 -0.11 -1.65 0.00 0.00 177.43 176.15 1wgk n LEU 48 N -4.55 0.23 0.09 1.61 7.94 0.54 0.15 117.00 123.00 1wgk n LEU 48 Ca -0.06 1.23 -0.13 0.00 -1.11 0.00 0.00 56.01 55.94 1wgk n LEU 48 Cb 0.35 -0.58 -0.08 0.00 0.53 0.00 0.00 43.42 43.63 1wgk n LEU 48 CO 0.39 -1.36 0.66 -0.07 -1.11 0.00 0.00 177.39 175.90 1wgk h LEU 49 N 0.00 -0.18 -0.80 -1.96 -0.00 -1.34 -2.89 115.31 108.14 1wgk h LEU 49 Ca 0.61 -0.22 0.17 0.00 -0.00 0.00 0.00 57.88 58.45 1wgk h LEU 49 Cb 1.59 0.05 -0.15 0.00 -0.00 0.00 0.00 40.66 42.15 1wgk h LEU 49 CO -0.58 0.12 -0.10 0.58 -0.00 0.00 0.00 178.44 178.46 1wgk h VAL 50 N -0.50 0.23 -0.59 1.22 2.07 0.13 0.50 116.25 119.31 1wgk h VAL 50 Ca -0.02 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1wgk h VAL 50 Cb 0.39 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1wgk h VAL 50 CO 0.04 0.01 0.36 -0.25 0.02 0.00 0.00 177.57 177.74 1wgk h TRP 51 N 0.04 0.66 -0.17 1.57 7.01 -1.42 1.92 115.95 125.56 1wgk h TRP 51 Ca 0.41 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.33 1wgk h TRP 51 Cb 0.70 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1wgk h TRP 51 CO -0.54 0.37 -0.36 0.82 -2.79 0.00 0.00 178.44 175.94 1wgk h ILE 52 N 0.70 1.29 0.00 2.65 2.04 -0.31 -0.55 117.51 123.33 1wgk h ILE 52 Ca 0.24 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1wgk h ILE 52 Cb 0.04 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1wgk h ILE 52 CO -0.11 0.44 -0.66 0.29 0.00 0.00 0.00 178.15 178.10 1wgk n LYS 53 N -4.06 0.24 -0.07 2.37 5.02 0.14 0.10 118.16 121.90 1wgk n LYS 53 Ca -0.01 0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 1wgk n LYS 53 Cb 0.46 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 1wgk n LYS 53 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1wgk h LYS 54 N 0.00 0.00 0.00 1.97 1.79 0.33 -3.40 116.57 117.26 1wgk h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wgk h LYS 54 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1wgk h LYS 54 CO 0.00 0.02 0.00 0.27 -1.08 0.00 0.00 179.45 178.66 1wgk n ASN 55 N -4.66 0.00 -0.40 0.86 0.23 -0.24 -4.51 115.26 106.54 1wgk n ASN 55 Ca -0.06 0.01 0.34 0.00 -0.53 0.00 0.00 54.58 54.35 1wgk n ASN 55 Cb 0.20 -0.48 0.58 0.00 -2.08 0.00 0.00 39.78 38.00 1wgk n ASN 55 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1wgk n LEU 56 N -2.44 0.18 -4.66 -4.53 7.94 -1.17 -3.88 117.00 108.44 1wgk n LEU 56 Ca 0.00 1.19 -0.37 0.00 -1.11 0.00 0.00 56.01 55.72 1wgk n LEU 56 Cb 0.00 -0.58 -0.09 0.00 0.53 0.00 0.00 43.42 43.28 1wgk n LEU 56 CO 0.00 -1.29 -0.12 -0.22 -1.11 0.00 0.00 177.39 174.65 1wgk s LEU 57 N -8.83 4.13 -0.04 -1.96 2.96 0.28 -4.21 118.68 111.00 1wgk s LEU 57 Ca -0.06 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 1wgk s LEU 57 Cb 0.26 -2.18 -0.10 0.00 0.50 0.00 0.00 46.19 44.68 1wgk s LEU 57 CO 0.70 0.04 0.08 0.29 -1.32 0.00 0.00 176.35 176.14 1wgk n LYS 58 N 4.30 1.81 -1.47 1.98 4.76 -1.24 -4.49 118.16 123.81 1wgk n LYS 58 Ca -0.14 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.06 1wgk n LYS 58 Cb 0.52 -1.17 0.14 0.00 -1.84 0.00 0.00 35.03 32.68 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 -2.05 -0.82 -1.58 1.97 -0.58 -1.26 -4.92 120.64 111.40 1wgk n GLU 59 Ca -0.07 -1.57 -0.48 0.00 -0.42 0.00 0.00 57.16 54.63 1wgk n GLU 59 Cb 0.51 -0.94 -0.05 0.00 -0.57 0.00 0.00 31.44 30.39 1wgk n GLU 59 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wgk n ARG 60 N -2.97 1.75 0.24 3.49 5.12 -1.26 -4.82 116.66 118.20 1wgk n ARG 60 Ca 0.12 0.55 0.16 0.00 -1.93 0.00 0.00 57.85 56.75 1wgk n ARG 60 Cb 0.42 -2.76 0.65 0.00 -1.16 0.00 0.00 32.46 29.61 1wgk n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1wgk h PRO 61 N 12.05 0.00 -0.47 5.56 0.13 -1.91 -2.74 132.00 144.62 1wgk h PRO 61 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wgk h PRO 61 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wgk h PRO 61 CO 0.98 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.90 1wgk n GLU 62 N -2.83 1.14 -0.01 0.86 0.28 -1.26 -2.56 120.64 116.27 1wgk n GLU 62 Ca 0.01 -0.15 0.01 0.00 -0.16 0.00 0.00 57.16 56.86 1wgk n GLU 62 Cb 0.27 -1.27 -0.03 0.00 1.43 0.00 0.00 31.44 31.85 1wgk n GLU 62 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wgk n LEU 63 N -0.19 0.00 -0.04 -1.84 4.32 -1.03 -4.87 117.00 113.35 1wgk n LEU 63 Ca 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.96 1wgk n LEU 63 Cb 0.16 0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 41.97 1wgk n LEU 63 CO 0.01 0.03 -0.30 0.33 -1.22 0.00 0.00 177.39 176.24 1wgk n PHE 64 N -1.79 0.00 -4.19 -1.77 7.35 -1.17 -4.89 117.46 111.00 1wgk n PHE 64 Ca -0.02 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.49 1wgk n PHE 64 Cb 0.27 -0.22 -0.12 0.00 0.35 0.00 0.00 39.48 39.76 1wgk n PHE 64 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1wgk s ILE 65 N -1.94 1.12 -0.24 -2.13 1.01 -1.06 -4.18 121.20 113.77 1wgk s ILE 65 Ca -0.13 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.08 1wgk s ILE 65 Cb 0.02 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.32 1wgk s ILE 65 CO 0.19 -0.33 -0.11 -1.58 0.00 0.00 0.00 174.94 173.11 1wgk s GLN 66 N -2.12 2.57 3.98 2.79 0.74 -1.24 -4.22 119.66 122.16 1wgk s GLN 66 Ca 0.01 -1.14 0.00 0.00 0.05 0.00 0.00 55.36 54.29 1wgk s GLN 66 Cb -0.08 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.18 1wgk s GLN 66 CO 0.02 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 174.72 1wgk n GLY 67 N 4.54 0.37 0.09 2.59 0.00 -1.26 -3.95 105.19 107.57 1wgk n GLY 67 Ca -0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1wgk n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgk n ASP 68 N 4.07 1.00 -4.85 1.61 9.92 -1.26 -4.76 116.55 122.28 1wgk n ASP 68 Ca 0.00 0.31 -0.33 0.00 -0.53 0.00 0.00 54.79 54.24 1wgk n ASP 68 Cb 0.00 -0.07 -0.06 0.00 -0.64 0.00 0.00 41.12 40.36 1wgk n ASP 68 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1wgk s SER 69 N -6.18 6.77 0.19 -2.24 1.04 -1.25 -4.67 113.70 107.35 1wgk s SER 69 Ca -0.09 1.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.14 1wgk s SER 69 Cb 0.08 -2.30 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 1wgk s SER 69 CO 0.81 -0.04 1.24 0.68 0.98 0.00 0.00 173.24 176.92 1wgk s VAL 70 N -1.72 3.42 1.00 5.02 -7.23 -1.26 -3.66 120.40 115.97 1wgk s VAL 70 Ca 0.46 1.18 -0.19 0.00 -1.81 0.00 0.00 61.98 61.62 1wgk s VAL 70 Cb -0.13 -3.75 -0.15 0.00 0.56 0.00 0.00 36.38 32.91 1wgk s VAL 70 CO 0.20 0.18 -0.87 0.54 -0.31 0.00 0.00 175.10 174.84 1wgk n ARG 71 N 2.55 -0.03 0.00 4.82 1.74 -1.26 -4.73 116.66 119.76 1wgk n ARG 71 Ca 0.05 -0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.18 1wgk n ARG 71 Cb 0.44 -1.05 0.31 0.00 -1.02 0.00 0.00 32.46 31.15 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 2.27 0.49 -0.05 5.56 -0.04 -1.26 -2.86 135.00 139.10 1wgk n PRO 72 Ca -0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1wgk n PRO 72 Cb 0.59 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.22 3.70 0.55 0.00 -1.26 -4.99 105.19 102.94 1wgk n GLY 73 Ca 0.08 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.21 3.26 -0.35 -0.61 -1.09 -1.14 -4.06 121.20 115.00 1wgk s ILE 74 Ca -0.12 0.75 -0.09 0.00 -2.23 0.00 0.00 60.65 58.97 1wgk s ILE 74 Cb 0.03 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1wgk s ILE 74 CO 0.28 0.01 0.15 -0.76 -1.23 0.00 0.00 174.94 173.39 1wgk s LEU 75 N 2.18 4.49 0.24 2.97 1.43 0.12 -4.75 118.68 125.35 1wgk s LEU 75 Ca 0.69 -1.06 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1wgk s LEU 75 Cb -0.37 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1wgk s LEU 75 CO 0.30 -0.35 0.43 0.68 0.23 0.00 0.00 176.35 177.64 1wgk s VAL 76 N 1.47 5.17 -0.12 -1.59 -7.23 -1.26 0.07 120.40 116.92 1wgk s VAL 76 Ca 0.00 -0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1wgk s VAL 76 Cb -0.19 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.04 1wgk s VAL 76 CO 0.05 -0.27 0.24 -0.76 -0.31 0.00 0.00 175.10 174.05 1wgk s LEU 77 N -3.57 -0.24 -0.32 1.32 1.43 0.33 -4.04 118.68 113.59 1wgk s LEU 77 Ca 0.39 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 1wgk s LEU 77 Cb -0.11 0.59 -0.02 0.00 0.03 0.00 0.00 46.19 46.69 1wgk s LEU 77 CO 0.30 -0.24 0.45 -0.63 0.23 0.00 0.00 176.35 176.46 1wgk s ILE 78 N 2.38 5.09 -1.50 -0.59 1.01 -0.73 -1.13 121.20 125.72 1wgk s ILE 78 Ca 0.02 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 1wgk s ILE 78 Cb -0.12 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.56 1wgk s ILE 78 CO -0.08 -0.08 0.75 0.59 0.00 0.00 0.00 174.94 176.13 1wgk n ASN 79 N 5.55 -2.71 -3.31 3.58 3.02 -0.55 -1.51 115.26 119.33 1wgk n ASN 79 Ca -0.06 -0.90 -0.16 0.00 -0.03 0.00 0.00 54.58 53.43 1wgk n ASN 79 Cb 0.49 -3.45 0.09 0.00 -0.61 0.00 0.00 39.78 36.30 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 -2.87 -2.13 -3.64 6.41 8.00 -1.26 -5.02 116.55 116.04 1wgk n ASP 80 Ca -0.10 -0.59 -0.01 0.00 0.71 0.00 0.00 54.79 54.80 1wgk n ASP 80 Cb 0.58 -4.92 -0.04 0.00 -0.02 0.00 0.00 41.12 36.72 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 -3.34 -2.07 -0.34 2.24 0.00 -0.57 -5.12 121.76 112.56 1wgk s ALA 81 Ca 0.01 2.34 -0.45 0.00 0.00 0.00 0.00 51.96 53.86 1wgk s ALA 81 Cb -0.00 -1.78 -0.20 0.00 0.00 0.00 0.00 23.12 21.14 1wgk s ALA 81 CO 0.70 -0.91 1.43 -3.47 0.00 0.00 0.00 175.76 173.50 1wgk n ASP 82 N 5.39 0.82 0.27 0.00 2.03 -1.26 -1.77 116.55 122.03 1wgk n ASP 82 Ca -0.12 1.18 0.15 0.00 0.52 0.00 0.00 54.79 56.52 1wgk n ASP 82 Cb 0.49 -0.89 0.73 0.00 -0.72 0.00 0.00 41.12 40.74 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1wgk h TRP 83 N 4.36 0.00 -0.25 -0.67 5.08 -1.91 -2.60 115.95 119.97 1wgk h TRP 83 Ca -0.46 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.41 1wgk h TRP 83 Cb 1.39 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.53 1wgk h TRP 83 CO 0.62 0.08 -0.26 0.93 -1.28 0.00 0.00 178.44 178.53 1wgk h GLU 84 N 0.00 0.47 -0.49 0.12 5.08 -1.88 0.39 114.58 118.27 1wgk h GLU 84 Ca -0.00 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1wgk h GLU 84 Cb 0.43 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1wgk h GLU 84 CO 0.01 0.70 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.51 1wgk h LEU 85 N 0.42 0.95 0.00 1.33 4.07 -1.82 -3.37 115.31 116.89 1wgk h LEU 85 Ca 0.06 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1wgk h LEU 85 Cb 0.68 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1wgk h LEU 85 CO 0.05 1.09 -0.09 -0.07 -1.08 0.00 0.00 178.44 178.34 1wgk h LEU 86 N 0.83 0.00 -5.30 1.67 3.38 -1.56 -3.49 115.31 110.85 1wgk h LEU 86 Ca 0.13 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.30 1wgk h LEU 86 Cb 0.69 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.27 1wgk h LEU 86 CO 0.05 0.20 0.00 -0.83 0.09 0.00 0.00 178.44 177.96 1wgk s GLY 87 N -2.80 -1.39 0.05 0.83 0.00 0.13 -4.78 107.32 99.36 1wgk s GLY 87 Ca -0.03 1.78 -0.10 0.00 0.00 0.00 0.00 44.72 46.37 1wgk s GLY 87 CO 0.04 4.40 0.88 1.18 0.00 0.00 0.00 173.10 179.59 1wgk n GLU 88 N 3.94 -0.14 -0.00 2.90 1.02 -0.54 -1.05 120.64 126.76 1wgk n GLU 88 Ca 0.06 0.87 0.03 0.00 -0.02 0.00 0.00 57.16 58.10 1wgk n GLU 88 Cb 0.63 -1.29 -0.05 0.00 -0.02 0.00 0.00 31.44 30.71 1wgk n GLU 88 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wgk n LEU 89 N -3.70 0.02 0.24 -4.62 4.77 -1.26 -4.53 117.00 107.90 1wgk n LEU 89 Ca 0.01 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1wgk n LEU 89 Cb 0.08 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.70 1wgk n LEU 89 CO -0.05 0.00 0.85 -0.78 -1.33 0.00 0.00 177.39 176.08 1wgk h ASP 90 N 0.00 0.00 -3.86 -1.43 1.82 -1.92 -3.36 116.42 107.67 1wgk h ASP 90 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1wgk h ASP 90 Cb 0.30 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.36 1wgk h ASP 90 CO 0.00 0.18 0.58 -0.47 -1.61 0.00 0.00 179.24 177.92 1wgk s TYR 91 N -3.71 3.22 -0.18 0.28 6.14 -0.21 -4.96 117.35 117.93 1wgk s TYR 91 Ca 0.00 1.51 0.01 0.00 0.64 0.00 0.00 57.07 59.23 1wgk s TYR 91 Cb 0.10 -3.55 0.02 0.00 0.42 0.00 0.00 41.96 38.96 1wgk s TYR 91 CO 0.61 -1.42 -0.20 -0.65 0.64 0.00 0.00 175.55 174.54 1wgk s GLN 92 N -1.69 2.99 0.31 4.97 -0.21 -1.26 -2.38 119.66 122.39 1wgk s GLN 92 Ca 0.48 -0.83 -0.29 0.00 0.02 0.00 0.00 55.36 54.74 1wgk s GLN 92 Cb -0.37 -2.57 -0.10 0.00 1.00 0.00 0.00 33.01 30.97 1wgk s GLN 92 CO 0.49 -0.21 1.26 -0.51 -2.12 0.00 0.00 175.29 174.20 1wgk s LEU 93 N 1.28 4.46 0.00 2.90 1.43 -0.34 -4.96 118.68 123.45 1wgk s LEU 93 Ca 0.05 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1wgk s LEU 93 Cb -0.13 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1wgk s LEU 93 CO -0.13 -0.44 0.00 0.00 0.23 0.00 0.00 176.35 176.01 1wgk n GLN 94 N 1.01 0.00 -3.60 1.70 1.13 -1.26 -4.31 117.38 112.06 1wgk n GLN 94 Ca 0.00 0.11 -0.05 0.00 -1.94 0.00 0.00 57.00 55.13 1wgk n GLN 94 Cb 0.43 -0.54 -0.02 0.00 0.11 0.00 0.00 30.24 30.22 1wgk n GLN 94 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wgk s ASP 95 N -3.20 -0.21 0.00 1.08 2.15 -1.26 -4.88 116.67 110.35 1wgk s ASP 95 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1wgk s ASP 95 Cb 0.00 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1wgk s ASP 95 CO 0.00 -0.49 0.00 0.00 -0.17 0.00 0.00 175.17 174.51 1wgk n GLN 96 N -0.28 -2.20 -2.06 4.34 3.00 -0.78 -4.84 117.38 114.57 1wgk n GLN 96 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.62 1wgk n GLN 96 Cb 0.61 -4.04 0.00 0.00 0.00 0.00 0.00 30.24 26.81 1wgk n GLN 96 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1wgk s ASP 97 N -1.54 6.07 -0.20 1.08 2.15 -1.25 -4.86 116.67 118.10 1wgk s ASP 97 Ca 0.00 1.64 -0.04 0.00 0.43 0.00 0.00 52.55 54.58 1wgk s ASP 97 Cb 0.00 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1wgk s ASP 97 CO 0.00 -0.97 -0.04 -0.94 -0.17 0.00 0.00 175.17 173.05 1wgk s SER 98 N -3.27 4.42 -0.18 -0.34 1.04 -1.26 -2.51 113.70 111.60 1wgk s SER 98 Ca 0.60 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1wgk s SER 98 Cb -0.13 -1.75 0.01 0.00 0.10 0.00 0.00 66.02 64.26 1wgk s SER 98 CO 0.41 0.03 -0.18 -0.63 0.98 0.00 0.00 173.24 173.85 1wgk s ILE 99 N 1.21 2.29 0.02 -1.02 -1.09 -0.93 -1.48 121.20 120.20 1wgk s ILE 99 Ca 0.03 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1wgk s ILE 99 Cb -0.14 -1.97 -0.03 0.00 -1.58 0.00 0.00 42.46 38.73 1wgk s ILE 99 CO -0.01 0.52 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.94 1wgk s LEU 100 N 1.22 3.21 -0.03 2.97 2.96 -0.29 -2.35 118.68 126.38 1wgk s LEU 100 Ca 0.03 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1wgk s LEU 100 Cb -0.14 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1wgk s LEU 100 CO -0.09 0.27 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.78 1wgk s PHE 101 N -1.04 0.75 -0.06 5.38 0.40 -0.63 -0.51 117.98 122.28 1wgk s PHE 101 Ca 0.18 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1wgk s PHE 101 Cb -0.11 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 1wgk s PHE 101 CO 0.09 -0.12 -0.23 0.42 0.70 0.00 0.00 175.22 176.08 1wgk s ILE 102 N 0.47 1.87 -0.19 0.64 1.01 0.11 -2.25 121.20 122.87 1wgk s ILE 102 Ca -0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 1wgk s ILE 102 Cb -0.10 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1wgk s ILE 102 CO 0.00 0.52 0.01 -0.55 0.00 0.00 0.00 174.94 174.93 1wgk s SER 103 N -0.05 5.00 0.00 3.58 0.15 -1.25 0.10 113.70 121.23 1wgk s SER 103 Ca -0.05 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1wgk s SER 103 Cb -0.14 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1wgk s SER 103 CO 0.04 0.10 0.00 1.07 1.20 0.00 0.00 173.24 175.65 1wgk n THR 104 N 4.00 0.00 -3.13 6.45 5.66 -1.26 -4.72 114.28 121.29 1wgk n THR 104 Ca -0.17 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.38 1wgk n THR 104 Cb 0.52 -0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 69.02 1wgk n THR 104 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1wgk s LEU 105 N -3.92 5.72 -0.20 1.09 0.20 -1.26 -4.81 118.68 115.51 1wgk s LEU 105 Ca 0.00 -1.99 -0.11 0.00 0.69 0.00 0.00 54.13 52.72 1wgk s LEU 105 Cb 0.00 -2.30 -0.09 0.00 -0.43 0.00 0.00 46.19 43.37 1wgk s LEU 105 CO 0.00 -0.93 -0.28 1.57 -0.29 0.00 0.00 176.35 176.42 1wgk n HIS 106 N 5.67 0.00 -3.00 5.38 -0.00 -1.26 -4.75 115.22 117.25 1wgk n HIS 106 Ca 0.07 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.84 1wgk n HIS 106 Cb 0.46 -0.71 -0.00 0.00 -0.12 0.00 0.00 29.99 29.62 1wgk n HIS 106 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wgk n GLY 107 N 1.69 5.29 0.47 1.57 0.00 -1.26 -4.74 105.19 108.22 1wgk n GLY 107 Ca -0.37 -2.67 -0.00 0.00 0.00 0.00 0.00 46.02 42.97 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 1.01 -0.21 3.36 -0.02 0.00 -1.26 -4.95 105.19 103.11 1wgk n GLY 108 Ca 0.30 -0.01 -0.61 0.00 0.00 0.00 0.00 46.02 45.69 1wgk n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgk n SER 109 N -2.62 0.92 0.00 1.61 3.41 -1.26 -4.48 113.62 111.20 1wgk n SER 109 Ca -0.01 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1wgk n SER 109 Cb 0.02 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1wgk n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgk n GLY 110 N 6.78 -2.04 1.57 5.00 0.00 -1.26 -5.03 105.19 110.21 1wgk n GLY 110 Ca 0.50 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 1wgk n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgk n PRO 111 N -0.02 -1.98 -0.07 1.61 -0.04 -1.26 -5.02 135.00 128.22 1wgk n PRO 111 Ca 0.00 -0.79 -0.20 0.00 -0.04 0.00 0.00 63.50 62.48 1wgk n PRO 111 Cb 0.00 -0.74 -0.12 0.00 -0.04 0.00 0.00 33.50 32.60 1wgk n PRO 111 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wgk h SER 112 N -1.79 0.07 -3.25 3.54 0.02 -1.92 -3.46 113.55 106.76 1wgk h SER 112 Ca -0.18 -0.70 -0.66 0.00 -0.84 0.00 0.00 61.79 59.40 1wgk h SER 112 Cb 0.57 -0.02 -0.31 0.00 0.14 0.00 0.00 62.40 62.77 1wgk h SER 112 CO 0.12 1.40 -0.79 -0.55 -1.14 0.00 0.00 176.83 175.87 1wgk s SER 113 N -6.73 3.76 0.00 3.07 0.15 -1.26 -5.11 113.70 107.57 1wgk s SER 113 Ca -0.25 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1wgk s SER 113 Cb 0.03 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1wgk s SER 113 CO 0.65 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.71