#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 6.73 -1.13 1.61 0.01 -1.26 -4.97 113.70 114.69 1wgk s SER 2 Ca 0.00 -2.67 -0.12 0.00 1.31 0.00 0.00 55.95 54.47 1wgk s SER 2 Cb 0.00 -2.20 0.22 0.00 0.21 0.00 0.00 66.02 64.25 1wgk s SER 2 CO 0.00 -0.58 1.23 -0.44 0.41 0.00 0.00 173.24 173.86 1wgk s SER 3 N 2.18 7.15 0.48 2.44 0.01 -1.26 -4.94 113.70 119.75 1wgk s SER 3 Ca 0.17 -3.20 0.00 0.00 1.31 0.00 0.00 55.95 54.24 1wgk s SER 3 Cb -0.11 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1wgk s SER 3 CO -0.08 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1wgk n GLY 4 N 3.54 1.37 0.30 3.44 0.00 -1.26 -1.25 105.19 111.33 1wgk n GLY 4 Ca 0.29 0.62 0.20 0.00 0.00 0.00 0.00 46.02 47.13 1wgk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgk n SER 5 N 5.71 0.07 -4.65 1.61 7.64 -1.26 -4.41 113.62 118.34 1wgk n SER 5 Ca 0.00 1.53 -0.59 0.00 1.01 0.00 0.00 58.87 60.82 1wgk n SER 5 Cb 0.00 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 1wgk n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgk n SER 6 N -5.22 1.96 -0.00 6.43 2.88 -0.38 -4.88 113.62 114.41 1wgk n SER 6 Ca 0.27 0.99 -0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1wgk n SER 6 Cb 0.90 -1.08 -0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1wgk n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wgk h GLY 7 N 7.52 0.00 -1.61 0.46 0.00 -1.91 -3.40 103.07 104.13 1wgk h GLY 7 Ca -0.40 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.42 1wgk h GLY 7 CO 0.99 0.00 -0.52 1.06 0.00 0.00 0.00 176.54 178.07 1wgk s MET 8 N -1.06 1.81 0.35 4.80 1.00 -1.26 -5.02 119.30 119.92 1wgk s MET 8 Ca -0.01 -2.08 0.06 0.00 0.00 0.00 0.00 55.69 53.67 1wgk s MET 8 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 34.83 34.59 1wgk s MET 8 CO 0.01 -0.53 0.49 0.00 0.00 0.00 0.00 175.02 175.00 1wgk s ALA 9 N -3.36 4.24 0.16 3.03 0.00 -1.26 -5.03 121.76 119.54 1wgk s ALA 9 Ca 0.31 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.85 1wgk s ALA 9 Cb 0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1wgk s ALA 9 CO 0.19 -0.08 0.21 0.00 0.00 0.00 0.00 175.76 176.08 1wgk s ALA 10 N -2.21 3.77 0.09 0.00 0.00 -1.26 -4.40 121.76 117.75 1wgk s ALA 10 Ca 0.46 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 1wgk s ALA 10 Cb -0.10 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.38 1wgk s ALA 10 CO 0.32 0.52 1.38 -1.25 0.00 0.00 0.00 175.76 176.73 1wgk s PRO 11 N -3.17 4.32 0.18 0.00 0.04 -1.26 -4.25 135.00 130.87 1wgk s PRO 11 Ca 0.33 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1wgk s PRO 11 Cb -0.11 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 1wgk s PRO 11 CO 0.26 -0.44 0.56 -0.51 0.04 0.00 0.00 177.00 176.91 1wgk s LEU 12 N 1.29 4.28 -0.26 -3.56 1.43 0.21 -4.85 118.68 117.23 1wgk s LEU 12 Ca 0.64 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.81 1wgk s LEU 12 Cb -0.35 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.49 1wgk s LEU 12 CO 0.30 0.04 -0.09 0.00 0.23 0.00 0.00 176.35 176.83 1wgk s VAL 14 N 1.19 2.32 -0.34 0.00 -7.23 0.65 -2.65 120.40 114.34 1wgk s VAL 14 Ca -0.05 -1.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.88 1wgk s VAL 14 Cb -0.19 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1wgk s VAL 14 CO -0.05 0.55 0.50 -0.54 -0.31 0.00 0.00 175.10 175.25 1wgk s LYS 15 N -0.74 3.66 -0.24 4.82 1.02 -1.11 -0.53 119.74 126.62 1wgk s LYS 15 Ca 0.11 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.88 1wgk s LYS 15 Cb -0.10 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 1wgk s LYS 15 CO -0.00 -0.61 0.09 0.08 -0.92 0.00 0.00 175.35 173.99 1wgk s VAL 16 N 2.36 4.61 -0.10 3.17 1.01 -0.30 -2.27 120.40 128.89 1wgk s VAL 16 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1wgk s VAL 16 Cb -0.15 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1wgk s VAL 16 CO 0.13 0.35 -0.21 -0.70 0.00 0.00 0.00 175.10 174.68 1wgk s GLU 17 N 1.31 2.70 -0.08 2.72 2.12 -1.01 -0.20 118.70 126.27 1wgk s GLU 17 Ca 0.05 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1wgk s GLU 17 Cb -0.15 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1wgk s GLU 17 CO 0.04 0.10 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.74 1wgk s PHE 18 N 0.54 2.97 0.04 5.30 0.40 -1.03 -2.09 117.98 124.11 1wgk s PHE 18 Ca -0.15 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1wgk s PHE 18 Cb -0.17 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1wgk s PHE 18 CO 0.05 0.31 -0.16 0.20 0.70 0.00 0.00 175.22 176.33 1wgk s GLY 19 N -0.71 1.62 0.00 4.36 0.00 -1.02 -4.62 107.32 106.95 1wgk s GLY 19 Ca 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1wgk s GLY 19 CO 0.02 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.66 1wgk n GLY 20 N 1.47 0.99 0.00 0.20 0.00 -1.26 -3.80 105.19 102.79 1wgk n GLY 20 Ca -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.79 0.34 -0.02 0.00 -1.26 -4.78 105.19 100.26 1wgk n GLY 21 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 2.23 -0.94 4.61 0.00 -1.91 -1.25 119.26 122.00 1wgk h ALA 22 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 1wgk h ALA 22 Cb 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1wgk h ALA 22 CO 0.00 -0.40 0.61 1.05 0.00 0.00 0.00 179.25 180.52 1wgk h GLU 23 N 0.00 0.42 -0.04 0.00 4.11 -1.82 0.38 114.58 117.64 1wgk h GLU 23 Ca 0.15 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.56 1wgk h GLU 23 Cb 0.62 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wgk h GLU 23 CO -0.00 0.28 0.03 -0.07 0.07 0.00 0.00 179.01 179.32 1wgk h LEU 24 N 0.44 0.00 -0.19 3.06 3.38 -1.53 0.15 115.31 120.60 1wgk h LEU 24 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1wgk h LEU 24 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wgk h LEU 24 CO -0.21 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.50 1wgk n LEU 25 N -4.36 0.25 -3.64 1.67 4.77 0.13 -3.67 117.00 112.16 1wgk n LEU 25 Ca -0.02 0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 56.23 1wgk n LEU 25 Cb 0.13 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1wgk n LEU 25 CO 0.33 -0.29 -0.21 -0.36 -1.33 0.00 0.00 177.39 175.52 1wgk s PHE 26 N -3.10 2.06 -0.94 -1.77 0.40 0.38 -2.20 117.98 112.80 1wgk s PHE 26 Ca 0.08 -2.61 -0.10 0.00 -0.60 0.00 0.00 56.93 53.69 1wgk s PHE 26 Cb 0.11 -1.73 0.10 0.00 0.51 0.00 0.00 43.02 42.02 1wgk s PHE 26 CO 0.37 -0.73 0.30 -0.25 0.70 0.00 0.00 175.22 175.61 1wgk n ASP 27 N 2.87 -1.84 -3.38 1.36 9.92 -1.26 -2.28 116.55 121.94 1wgk n ASP 27 Ca 0.20 -0.31 -0.23 0.00 -0.53 0.00 0.00 54.79 53.92 1wgk n ASP 27 Cb 0.40 -1.63 0.01 0.00 -0.64 0.00 0.00 41.12 39.25 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 -0.83 -0.69 2.93 0.44 0.00 -0.44 -4.96 105.19 101.64 1wgk n GLY 28 Ca 0.04 0.62 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.30 0.04 -0.02 1.61 1.01 -0.96 -4.89 120.40 114.89 1wgk s VAL 29 Ca 0.09 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1wgk s VAL 29 Cb -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 36.38 36.13 1wgk s VAL 29 CO 0.71 -0.20 0.81 0.11 0.00 0.00 0.00 175.10 176.52 1wgk h LYS 30 N 5.50 -0.59 -5.65 2.72 1.57 -1.91 -3.42 116.57 114.79 1wgk h LYS 30 Ca -0.27 0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 57.89 1wgk h LYS 30 Cb 1.21 0.13 -0.19 0.00 0.08 0.00 0.00 32.23 33.46 1wgk h LYS 30 CO 0.46 -0.35 -0.66 0.15 -0.57 0.00 0.00 179.45 178.48 1wgk s LYS 31 N -3.76 3.31 -0.12 3.15 1.02 -1.26 -2.46 119.74 119.62 1wgk s LYS 31 Ca -0.10 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1wgk s LYS 31 Cb 0.01 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1wgk s LYS 31 CO 0.33 0.44 -0.15 -1.01 -0.92 0.00 0.00 175.35 174.04 1wgk s HIS 32 N -0.19 2.00 -0.33 3.18 3.76 0.73 -5.01 115.29 119.43 1wgk s HIS 32 Ca 0.04 -0.98 -0.28 0.00 -0.15 0.00 0.00 55.06 53.68 1wgk s HIS 32 Cb -0.13 -1.45 0.02 0.00 1.11 0.00 0.00 32.58 32.13 1wgk s HIS 32 CO 0.02 -0.52 1.05 -0.65 -0.85 0.00 0.00 174.74 173.80 1wgk s GLN 33 N 1.10 4.04 -0.10 1.40 -0.21 -1.26 -1.14 119.66 123.48 1wgk s GLN 33 Ca -0.04 1.00 -0.03 0.00 0.02 0.00 0.00 55.36 56.31 1wgk s GLN 33 Cb -0.14 -3.74 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 1wgk s GLN 33 CO -0.04 -0.90 0.03 0.08 -2.12 0.00 0.00 175.29 172.35 1wgk s VAL 34 N 3.62 4.60 -0.38 1.09 1.01 0.31 -4.99 120.40 125.66 1wgk s VAL 34 Ca 0.44 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1wgk s VAL 34 Cb -0.12 -2.96 0.13 0.00 0.00 0.00 0.00 36.38 33.43 1wgk s VAL 34 CO 0.16 0.60 0.20 0.00 0.00 0.00 0.00 175.10 176.06 1wgk s ALA 35 N -0.83 1.58 0.51 5.51 0.00 -1.26 -0.25 121.76 127.03 1wgk s ALA 35 Ca 0.13 -2.15 -0.20 0.00 0.00 0.00 0.00 51.96 49.73 1wgk s ALA 35 Cb -0.12 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 1wgk s ALA 35 CO 0.03 -2.01 1.11 -0.51 0.00 0.00 0.00 175.76 174.37 1wgk s LEU 36 N 0.85 3.82 0.00 0.00 1.43 0.31 -4.83 118.68 120.25 1wgk s LEU 36 Ca 0.16 2.12 -0.09 0.00 -1.03 0.00 0.00 54.13 55.29 1wgk s LEU 36 Cb -0.23 -4.52 0.14 0.00 0.03 0.00 0.00 46.19 41.61 1wgk s LEU 36 CO -0.04 -1.04 0.48 -0.81 0.23 0.00 0.00 176.35 175.17 1wgk n PRO 37 N -1.07 -1.97 -4.25 1.29 -0.04 -1.26 -0.62 135.00 127.08 1wgk n PRO 37 Ca 0.10 -0.78 -0.34 0.00 -0.04 0.00 0.00 63.50 62.45 1wgk n PRO 37 Cb 0.51 -0.73 -0.15 0.00 -0.04 0.00 0.00 33.50 33.10 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 -3.36 1.52 0.13 0.55 0.00 -1.26 -4.00 107.32 100.90 1wgk s GLY 38 Ca 0.31 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1wgk s GLY 38 CO 0.24 0.19 0.15 -0.86 0.00 0.00 0.00 173.10 172.83 1wgk s GLN 39 N 1.08 0.98 0.30 2.90 -2.07 -1.26 -4.54 119.66 117.05 1wgk s GLN 39 Ca 0.00 -1.26 0.02 0.00 -1.82 0.00 0.00 55.36 52.30 1wgk s GLN 39 Cb -0.15 0.30 0.58 0.00 -1.09 0.00 0.00 33.01 32.66 1wgk s GLN 39 CO -0.03 -0.31 1.87 0.93 -1.32 0.00 0.00 175.29 176.43 1wgk h GLU 40 N 2.75 0.94 -5.90 9.60 3.07 -1.96 -3.41 114.58 119.68 1wgk h GLU 40 Ca -0.34 -0.06 -0.58 0.00 -0.50 0.00 0.00 59.36 57.88 1wgk h GLU 40 Cb 1.20 -0.21 -0.07 0.00 -0.84 0.00 0.00 28.75 28.84 1wgk h GLU 40 CO 0.55 0.62 -0.14 -1.21 -1.40 0.00 0.00 179.01 177.44 1wgk s GLU 41 N -5.90 4.20 0.22 2.33 2.02 -1.26 -4.78 118.70 115.53 1wgk s GLU 41 Ca -0.11 0.49 -0.30 0.00 0.02 0.00 0.00 54.97 55.07 1wgk s GLU 41 Cb 0.21 -3.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.01 1wgk s GLU 41 CO 0.80 0.39 1.29 -1.25 0.02 0.00 0.00 175.26 176.51 1wgk s PRO 42 N -0.14 4.40 -0.13 0.39 0.04 -1.26 -4.93 135.00 133.37 1wgk s PRO 42 Ca 0.26 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 1wgk s PRO 42 Cb -0.16 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1wgk s PRO 42 CO 0.13 -0.21 2.12 -1.58 0.04 0.00 0.00 177.00 177.50 1wgk s TRP 43 N -0.11 1.22 0.40 0.56 0.52 -1.26 -4.84 118.94 115.44 1wgk s TRP 43 Ca 0.55 0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.95 1wgk s TRP 43 Cb -0.36 -4.04 0.00 0.00 -1.15 0.00 0.00 33.47 27.92 1wgk s TRP 43 CO 0.40 -4.56 0.53 0.34 0.02 0.00 0.00 176.95 173.68 1wgk s ASP 44 N 6.94 5.69 0.34 2.95 2.15 -1.26 -1.37 116.67 132.11 1wgk s ASP 44 Ca 0.96 -0.39 0.03 0.00 0.43 0.00 0.00 52.55 53.59 1wgk s ASP 44 Cb -0.36 -0.78 0.65 0.00 -0.30 0.00 0.00 42.92 42.13 1wgk s ASP 44 CO 0.37 -0.68 1.95 0.40 -0.17 0.00 0.00 175.17 177.04 1wgk h ILE 45 N 0.72 1.05 -0.89 4.11 1.08 -1.74 0.19 117.51 122.03 1wgk h ILE 45 Ca -0.41 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 1wgk h ILE 45 Cb 1.27 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 35.07 1wgk h ILE 45 CO 0.47 0.16 0.57 0.08 -0.69 0.00 0.00 178.15 178.74 1wgk h ARG 46 N 0.87 1.03 0.06 2.37 0.11 -1.83 -2.73 114.38 114.27 1wgk h ARG 46 Ca 0.33 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 60.25 1wgk h ARG 46 Cb 0.20 -0.23 0.01 0.00 1.11 0.00 0.00 29.97 31.05 1wgk h ARG 46 CO -0.11 0.68 -0.45 -0.91 0.10 0.00 0.00 179.97 179.28 1wgk h ASN 47 N 1.06 0.21 -0.95 0.08 2.35 -1.65 -3.35 115.58 113.33 1wgk h ASN 47 Ca 0.37 -0.96 0.19 0.00 -0.55 0.00 0.00 56.30 55.36 1wgk h ASN 47 Cb 0.10 -0.07 -0.18 0.00 0.05 0.00 0.00 38.32 38.22 1wgk h ASN 47 CO -0.15 1.21 -0.24 -0.11 -1.65 0.00 0.00 177.43 176.49 1wgk n LEU 48 N -4.37 -0.35 -0.27 1.61 7.94 0.59 0.73 117.00 122.89 1wgk n LEU 48 Ca -0.13 1.64 0.05 0.00 -1.11 0.00 0.00 56.01 56.46 1wgk n LEU 48 Cb 0.65 -0.49 0.16 0.00 0.53 0.00 0.00 43.42 44.26 1wgk n LEU 48 CO 0.40 -1.57 0.81 -0.07 -1.11 0.00 0.00 177.39 175.84 1wgk h LEU 49 N 0.00 -0.41 0.06 -1.96 -0.00 -1.62 -0.14 115.31 111.24 1wgk h LEU 49 Ca 0.46 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.55 1wgk h LEU 49 Cb 0.69 0.37 -0.02 0.00 -0.00 0.00 0.00 40.66 41.71 1wgk h LEU 49 CO -0.98 -0.20 -0.20 0.58 -0.00 0.00 0.00 178.44 177.64 1wgk h VAL 50 N 0.08 0.00 0.01 1.22 2.07 0.13 0.85 116.25 120.61 1wgk h VAL 50 Ca 0.42 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.96 1wgk h VAL 50 Cb 0.75 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1wgk h VAL 50 CO -0.70 0.00 -0.54 -0.25 0.02 0.00 0.00 177.57 176.10 1wgk h TRP 51 N -0.30 -1.58 -0.75 1.57 7.01 -1.34 0.58 115.95 121.15 1wgk h TRP 51 Ca -0.00 0.05 0.18 0.00 2.11 0.00 0.00 58.89 61.22 1wgk h TRP 51 Cb 0.29 0.69 -0.04 0.00 -2.10 0.00 0.00 29.16 28.00 1wgk h TRP 51 CO -0.33 -0.58 0.51 0.82 -2.79 0.00 0.00 178.44 176.07 1wgk h ILE 52 N -0.68 0.72 0.00 2.65 2.04 -0.95 1.32 117.51 122.60 1wgk h ILE 52 Ca 0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wgk h ILE 52 Cb 0.73 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1wgk h ILE 52 CO -0.35 0.04 -0.22 0.29 0.00 0.00 0.00 178.15 177.91 1wgk n LYS 53 N -4.43 0.10 0.00 2.37 5.02 0.29 0.05 118.16 121.56 1wgk n LYS 53 Ca 0.15 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1wgk n LYS 53 Cb 0.65 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1wgk n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wgk n LYS 54 N -1.76 0.00 0.00 1.97 4.76 0.22 -4.48 118.16 118.88 1wgk n LYS 54 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1wgk n LYS 54 Cb 0.37 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1wgk n LYS 54 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wgk n ASN 55 N -2.32 0.00 0.09 4.39 3.02 0.39 -3.89 115.26 116.94 1wgk n ASN 55 Ca 0.00 0.75 -0.08 0.00 -0.03 0.00 0.00 54.58 55.21 1wgk n ASN 55 Cb 0.00 -0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 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 -0.76 -9.47 3.41 5.85 -1.64 -3.42 115.31 109.28 1wgk h LEU 56 Ca 0.00 0.07 -0.61 0.00 0.84 0.00 0.00 57.88 58.18 1wgk h LEU 56 Cb 0.00 0.27 0.09 0.00 0.37 0.00 0.00 40.66 41.39 1wgk h LEU 56 CO 0.00 -0.30 0.34 -0.11 -0.34 0.00 0.00 178.44 178.03 1wgk n LEU 57 N -3.92 2.17 0.00 2.25 7.94 0.11 -4.68 117.00 120.85 1wgk n LEU 57 Ca -0.05 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 1wgk n LEU 57 Cb 0.21 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 42.85 1wgk n LEU 57 CO 0.10 -1.05 -0.22 1.17 -1.11 0.00 0.00 177.39 176.27 1wgk n LYS 58 N 1.47 1.69 0.00 1.96 3.00 -0.93 -4.49 118.16 120.86 1wgk n LYS 58 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1wgk n LYS 58 Cb 0.29 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.60 1wgk n LYS 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wgk n GLU 59 N -1.22 0.00 -3.65 1.64 1.02 -1.20 -4.96 120.64 112.26 1wgk n GLU 59 Ca 0.00 0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 1wgk n GLU 59 Cb 0.22 -0.94 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wgk s ARG 60 N -1.01 0.67 -0.02 3.49 1.81 -1.26 -5.07 118.95 117.56 1wgk s ARG 60 Ca 0.00 1.10 -0.25 0.00 -1.72 0.00 0.00 55.73 54.86 1wgk s ARG 60 Cb 0.00 0.16 -0.19 0.00 -0.45 0.00 0.00 34.95 34.47 1wgk s ARG 60 CO 0.00 -0.14 1.21 -1.00 -0.68 0.00 0.00 175.30 174.69 1wgk h PRO 61 N 6.62 -0.09 0.00 3.54 0.13 -1.89 -2.49 132.00 137.82 1wgk h PRO 61 Ca -0.31 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1wgk h PRO 61 Cb 1.21 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wgk h PRO 61 CO 0.17 0.37 -0.14 1.05 -0.23 0.00 0.00 178.00 179.21 1wgk h GLU 62 N -0.58 0.00 0.29 0.86 9.09 -1.94 0.21 114.58 122.52 1wgk h GLU 62 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 1wgk h GLU 62 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1wgk h GLU 62 CO 0.01 0.14 -0.14 1.25 0.05 0.00 0.00 179.01 180.32 1wgk h LEU 63 N 0.00 -0.33 0.54 3.06 5.85 -1.97 -3.36 115.31 119.10 1wgk h LEU 63 Ca -0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1wgk h LEU 63 Cb 0.27 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1wgk h LEU 63 CO 0.02 0.10 -0.26 0.15 -0.34 0.00 0.00 178.44 178.11 1wgk h PHE 64 N -0.86 -0.68 -3.55 1.25 3.57 -1.31 -3.46 116.94 111.91 1wgk h PHE 64 Ca -0.04 -0.02 -0.42 0.00 3.53 0.00 0.00 57.97 61.03 1wgk h PHE 64 Cb 0.52 0.22 -0.18 0.00 2.79 0.00 0.00 35.95 39.30 1wgk h PHE 64 CO 0.04 -0.35 -0.76 0.42 -2.23 0.00 0.00 178.31 175.43 1wgk s ILE 65 N -4.84 1.36 -0.32 1.41 1.01 0.05 -4.54 121.20 115.33 1wgk s ILE 65 Ca -0.14 -1.75 0.01 0.00 0.00 0.00 0.00 60.65 58.77 1wgk s ILE 65 Cb 0.02 -1.56 0.08 0.00 0.01 0.00 0.00 42.46 41.00 1wgk s ILE 65 CO 0.49 -0.42 0.03 -1.58 0.00 0.00 0.00 174.94 173.46 1wgk s GLN 66 N -2.72 2.04 0.56 2.79 0.74 -1.25 -3.33 119.66 118.49 1wgk s GLN 66 Ca 0.10 -1.56 0.00 0.00 0.05 0.00 0.00 55.36 53.94 1wgk s GLN 66 Cb -0.05 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.87 1wgk s GLN 66 CO 0.03 -0.78 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 1wgk n GLY 67 N 4.47 -2.00 0.13 2.59 0.00 -1.26 -4.17 105.19 104.94 1wgk n GLY 67 Ca -0.07 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.38 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 0.52 0.63 -4.80 1.61 8.00 -1.26 -4.70 116.55 116.54 1wgk n ASP 68 Ca 0.00 0.67 -0.27 0.00 0.71 0.00 0.00 54.79 55.90 1wgk n ASP 68 Cb 0.00 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.25 1wgk n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wgk s SER 69 N -4.16 5.58 0.15 -2.24 0.15 -1.26 -4.74 113.70 107.18 1wgk s SER 69 Ca 0.03 -0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 1wgk s SER 69 Cb 0.09 -1.49 -0.08 0.00 -1.71 0.00 0.00 66.02 62.83 1wgk s SER 69 CO 0.36 0.10 1.25 0.68 1.20 0.00 0.00 173.24 176.82 1wgk s VAL 70 N -1.65 3.57 1.00 4.45 -7.23 -1.26 -3.78 120.40 115.50 1wgk s VAL 70 Ca 0.31 1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 61.53 1wgk s VAL 70 Cb -0.11 -3.79 -0.14 0.00 0.56 0.00 0.00 36.38 32.90 1wgk s VAL 70 CO 0.23 0.16 -0.85 0.54 -0.31 0.00 0.00 175.10 174.87 1wgk n ARG 71 N 3.07 -0.07 0.00 4.82 1.74 -1.26 -4.74 116.66 120.22 1wgk n ARG 71 Ca 0.07 -0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.19 1wgk n ARG 71 Cb 0.44 -1.09 0.35 0.00 -1.02 0.00 0.00 32.46 31.14 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 2.01 0.49 -0.01 5.56 -0.04 -1.26 -2.45 135.00 139.30 1wgk n PRO 72 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1wgk n PRO 72 Cb 0.60 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.19 3.54 0.55 0.00 -1.26 -4.95 105.19 102.86 1wgk n GLY 73 Ca 0.09 -0.09 -0.43 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 -2.24 4.49 -0.33 -0.61 -1.09 -1.03 -2.51 121.20 117.87 1wgk s ILE 74 Ca -0.02 0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 58.70 1wgk s ILE 74 Cb 0.02 -4.45 -0.02 0.00 -1.58 0.00 0.00 42.46 36.44 1wgk s ILE 74 CO 0.17 -0.93 0.32 -0.76 -1.23 0.00 0.00 174.94 172.52 1wgk s LEU 75 N 3.70 4.41 0.43 2.97 1.43 0.12 -4.62 118.68 127.12 1wgk s LEU 75 Ca 0.32 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1wgk s LEU 75 Cb -0.12 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1wgk s LEU 75 CO 0.22 -0.29 0.64 0.68 0.23 0.00 0.00 176.35 177.83 1wgk s VAL 76 N 1.93 4.10 -0.16 -1.59 -7.23 -1.26 0.07 120.40 116.26 1wgk s VAL 76 Ca 0.10 -0.56 -0.07 0.00 -1.81 0.00 0.00 61.98 59.64 1wgk s VAL 76 Cb -0.17 -3.50 0.07 0.00 0.56 0.00 0.00 36.38 33.34 1wgk s VAL 76 CO 0.11 -0.33 0.37 -0.76 -0.31 0.00 0.00 175.10 174.18 1wgk s LEU 77 N -4.49 -0.21 -0.23 1.32 1.43 0.17 -4.13 118.68 112.55 1wgk s LEU 77 Ca 0.47 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 1wgk s LEU 77 Cb -0.10 1.18 -0.05 0.00 0.03 0.00 0.00 46.19 47.25 1wgk s LEU 77 CO 0.37 -0.21 0.14 -0.63 0.23 0.00 0.00 176.35 176.25 1wgk s ILE 78 N 1.86 5.24 -1.75 -0.59 1.01 -0.93 -0.65 121.20 125.38 1wgk s ILE 78 Ca -0.06 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.53 1wgk s ILE 78 Cb -0.10 -3.43 0.18 0.00 0.01 0.00 0.00 42.46 39.12 1wgk s ILE 78 CO -0.12 0.37 0.74 0.59 0.00 0.00 0.00 174.94 176.53 1wgk n ASN 79 N 4.13 -2.93 -3.12 3.58 5.03 -0.50 -0.36 115.26 121.09 1wgk n ASN 79 Ca -0.15 -1.07 -0.15 0.00 0.87 0.00 0.00 54.58 54.08 1wgk n ASN 79 Cb 0.52 -2.46 0.08 0.00 -1.02 0.00 0.00 39.78 36.90 1wgk n ASN 79 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1wgk n ASP 80 N -2.60 -2.35 -3.62 6.41 9.92 -1.26 -5.02 116.55 118.02 1wgk n ASP 80 Ca 0.09 -0.55 -0.02 0.00 -0.53 0.00 0.00 54.79 53.78 1wgk n ASP 80 Cb 0.48 -4.56 -0.05 0.00 -0.64 0.00 0.00 41.12 36.36 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgk s ALA 81 N -3.32 -1.89 -0.45 2.24 0.00 0.51 -5.11 121.76 113.74 1wgk s ALA 81 Ca 0.03 2.16 -0.42 0.00 0.00 0.00 0.00 51.96 53.74 1wgk s ALA 81 Cb -0.00 -1.72 -0.18 0.00 0.00 0.00 0.00 23.12 21.22 1wgk s ALA 81 CO 0.64 -0.92 1.53 -0.25 0.00 0.00 0.00 175.76 176.76 1wgk n ASP 82 N 5.44 1.00 0.27 0.00 9.92 -1.26 -2.20 116.55 129.72 1wgk n ASP 82 Ca -0.11 0.97 0.18 0.00 -0.53 0.00 0.00 54.79 55.31 1wgk n ASP 82 Cb 0.49 -0.79 0.86 0.00 -0.64 0.00 0.00 41.12 41.04 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1wgk h TRP 83 N 5.21 0.00 0.00 1.24 5.08 -1.90 -1.75 115.95 123.82 1wgk h TRP 83 Ca -0.33 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.59 1wgk h TRP 83 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 1wgk h TRP 83 CO 0.64 0.00 -0.23 1.05 -1.28 0.00 0.00 178.44 178.62 1wgk h GLU 84 N 0.00 0.00 0.00 0.12 4.11 -1.89 0.12 114.58 117.04 1wgk h GLU 84 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1wgk h GLU 84 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1wgk h GLU 84 CO 0.00 0.23 -0.63 -0.07 0.07 0.00 0.00 179.01 178.61 1wgk h LEU 85 N 0.00 0.00 0.00 3.06 4.07 -1.66 -3.41 115.31 117.37 1wgk h LEU 85 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wgk h LEU 85 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1wgk h LEU 85 CO 0.03 0.55 -0.13 0.18 -1.08 0.00 0.00 178.44 177.99 1wgk n LEU 86 N -3.21 0.28 -2.77 1.67 4.77 -1.09 -5.04 117.00 111.62 1wgk n LEU 86 Ca 0.01 0.10 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1wgk n LEU 86 Cb 0.76 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1wgk n LEU 86 CO 0.41 -0.47 0.46 -0.83 -1.33 0.00 0.00 177.39 175.63 1wgk s GLY 87 N -3.18 -1.58 0.00 -0.72 0.00 0.32 -4.83 107.32 97.33 1wgk s GLY 87 Ca -0.04 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1wgk s GLY 87 CO 0.06 4.29 0.54 1.18 0.00 0.00 0.00 173.10 179.17 1wgk n GLU 88 N 3.57 0.00 -0.61 2.90 1.02 -0.62 -0.38 120.64 126.53 1wgk n GLU 88 Ca 0.06 0.54 0.04 0.00 -0.02 0.00 0.00 57.16 57.79 1wgk n GLU 88 Cb 0.63 -0.89 0.26 0.00 -0.02 0.00 0.00 31.44 31.42 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 -1.84 4.31 -0.00 -4.62 4.77 -1.26 -4.37 117.00 113.99 1wgk n LEU 89 Ca 0.00 -3.19 0.02 0.00 -0.03 0.00 0.00 56.01 52.81 1wgk n LEU 89 Cb 0.00 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1wgk n LEU 89 CO 0.00 0.80 -0.50 0.47 -1.33 0.00 0.00 177.39 176.83 1wgk n ASP 90 N -0.54 3.65 -4.65 -1.43 8.00 -0.83 -4.39 116.55 116.36 1wgk n ASP 90 Ca 0.27 -0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1wgk n ASP 90 Cb 1.00 1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 43.26 1wgk n ASP 90 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1wgk s TYR 91 N -2.22 2.66 -0.35 1.24 6.14 0.49 -4.94 117.35 120.37 1wgk s TYR 91 Ca -0.01 0.86 -0.18 0.00 0.64 0.00 0.00 57.07 58.38 1wgk s TYR 91 Cb 0.03 -3.73 -0.00 0.00 0.42 0.00 0.00 41.96 38.68 1wgk s TYR 91 CO 0.18 -1.96 0.49 -0.65 0.64 0.00 0.00 175.55 174.26 1wgk s GLN 92 N 3.90 3.61 0.25 4.97 -0.21 -1.26 -2.40 119.66 128.52 1wgk s GLN 92 Ca 0.58 -0.19 -0.30 0.00 0.02 0.00 0.00 55.36 55.47 1wgk s GLN 92 Cb -0.21 -3.81 -0.10 0.00 1.00 0.00 0.00 33.01 29.89 1wgk s GLN 92 CO 0.20 -0.63 1.47 -0.51 -2.12 0.00 0.00 175.29 173.71 1wgk s LEU 93 N 2.34 4.38 0.00 2.90 1.43 -0.47 -4.96 118.68 124.30 1wgk s LEU 93 Ca 0.18 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1wgk s LEU 93 Cb -0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1wgk s LEU 93 CO 0.13 -0.74 0.00 0.00 0.23 0.00 0.00 176.35 175.97 1wgk n GLN 94 N 2.49 0.00 -3.62 1.70 3.00 -1.26 -4.29 117.38 115.40 1wgk n GLN 94 Ca 0.08 0.15 -0.04 0.00 -0.01 0.00 0.00 57.00 57.18 1wgk n GLN 94 Cb 0.40 -0.55 -0.01 0.00 0.00 0.00 0.00 30.24 30.08 1wgk n GLN 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1wgk s ASP 95 N -2.18 -0.19 0.00 1.08 2.15 -1.26 -4.91 116.67 111.37 1wgk s ASP 95 Ca 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1wgk s ASP 95 Cb 0.00 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1wgk s ASP 95 CO 0.00 -0.52 0.00 0.00 -0.17 0.00 0.00 175.17 174.48 1wgk n GLN 96 N -0.33 -2.20 -1.81 4.34 1.13 -1.09 -4.84 117.38 112.58 1wgk n GLN 96 Ca -0.06 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.69 1wgk n GLN 96 Cb 0.61 -4.10 0.03 0.00 0.11 0.00 0.00 30.24 26.88 1wgk n GLN 96 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wgk s ASP 97 N -1.56 5.90 -0.18 1.08 2.15 -1.26 -4.90 116.67 117.91 1wgk s ASP 97 Ca 0.00 1.41 -0.01 0.00 0.43 0.00 0.00 52.55 54.38 1wgk s ASP 97 Cb 0.00 -2.38 -0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1wgk s ASP 97 CO 0.00 -1.08 -0.13 -0.55 -0.17 0.00 0.00 175.17 173.24 1wgk s SER 98 N -4.13 3.76 -0.12 -0.34 0.15 -1.26 -2.77 113.70 108.99 1wgk s SER 98 Ca 0.56 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.77 1wgk s SER 98 Cb -0.12 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1wgk s SER 98 CO 0.54 0.04 -0.22 -0.63 1.20 0.00 0.00 173.24 174.17 1wgk s ILE 99 N 1.07 2.15 0.12 6.45 -1.09 -0.96 -1.41 121.20 127.53 1wgk s ILE 99 Ca -0.00 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1wgk s ILE 99 Cb -0.15 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1wgk s ILE 99 CO -0.03 0.55 -0.15 -0.22 -1.23 0.00 0.00 174.94 173.86 1wgk s LEU 100 N 0.56 2.84 -0.04 2.97 2.96 0.17 -2.41 118.68 125.73 1wgk s LEU 100 Ca -0.13 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1wgk s LEU 100 Cb -0.17 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.89 1wgk s LEU 100 CO 0.04 0.17 0.01 -0.36 -1.32 0.00 0.00 176.35 174.89 1wgk s PHE 101 N -1.21 0.39 -0.14 5.38 0.40 -0.89 -0.65 117.98 121.26 1wgk s PHE 101 Ca 0.20 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1wgk s PHE 101 Cb -0.11 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 1wgk s PHE 101 CO 0.12 -0.19 -0.16 0.42 0.70 0.00 0.00 175.22 176.11 1wgk s ILE 102 N 1.40 2.68 -0.20 0.64 1.01 0.11 -2.43 121.20 124.41 1wgk s ILE 102 Ca -0.04 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1wgk s ILE 102 Cb -0.13 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1wgk s ILE 102 CO -0.03 0.53 0.11 -0.55 0.00 0.00 0.00 174.94 175.00 1wgk s SER 103 N 0.58 5.97 -0.24 3.58 0.15 -1.25 0.16 113.70 122.65 1wgk s SER 103 Ca -0.10 0.15 0.12 0.00 0.70 0.00 0.00 55.95 56.82 1wgk s SER 103 Cb -0.16 -2.05 0.46 0.00 -1.71 0.00 0.00 66.02 62.56 1wgk s SER 103 CO 0.03 0.15 1.18 0.35 1.20 0.00 0.00 173.24 176.16 1wgk n THR 104 N 3.70 2.05 -3.05 6.45 -2.24 -1.05 -4.82 114.28 115.33 1wgk n THR 104 Ca -0.16 -3.53 -0.45 0.00 -2.27 0.00 0.00 64.05 57.65 1wgk n THR 104 Cb 0.52 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 1wgk n THR 104 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wgk s LEU 105 N -3.27 5.53 -0.37 3.22 2.01 -1.26 -4.96 118.68 119.59 1wgk s LEU 105 Ca 0.43 -2.39 0.03 0.00 0.01 0.00 0.00 54.13 52.21 1wgk s LEU 105 Cb 0.38 -2.34 0.11 0.00 0.01 0.00 0.00 46.19 44.35 1wgk s LEU 105 CO -0.02 -0.87 0.10 -1.00 1.01 0.00 0.00 176.35 175.57 1wgk s HIS 106 N 1.75 3.23 -0.35 0.29 3.76 -1.26 -5.03 115.29 117.68 1wgk s HIS 106 Ca 0.30 -2.78 0.03 0.00 -0.15 0.00 0.00 55.06 52.46 1wgk s HIS 106 Cb -0.06 -2.65 0.16 0.00 1.11 0.00 0.00 32.58 31.14 1wgk s HIS 106 CO -0.08 -0.90 0.41 0.20 -0.85 0.00 0.00 174.74 173.52 1wgk s GLY 107 N 0.82 -0.35 0.00 -2.22 0.00 -1.26 -5.04 107.32 99.27 1wgk s GLY 107 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1wgk s GLY 107 CO -0.09 2.94 0.00 0.61 0.00 0.00 0.00 173.10 176.56 1wgk n GLY 108 N 4.66 0.51 3.38 0.20 0.00 -1.26 -5.06 105.19 107.62 1wgk n GLY 108 Ca 0.07 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1wgk n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgk s SER 109 N -4.00 5.16 0.00 1.61 0.01 -1.26 -4.68 113.70 110.54 1wgk s SER 109 Ca 0.00 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1wgk s SER 109 Cb 0.00 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1wgk s SER 109 CO 0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1wgk n GLY 110 N 4.89 -1.72 0.22 3.44 0.00 -1.26 -4.97 105.19 105.80 1wgk n GLY 110 Ca -0.15 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.43 1wgk n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgk h PRO 111 N 0.00 0.51 -4.59 1.61 0.13 -1.96 -3.45 132.00 124.24 1wgk h PRO 111 Ca 0.00 -0.27 -0.23 0.00 -0.87 0.00 0.00 66.00 64.63 1wgk h PRO 111 Cb 0.00 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.98 1wgk h PRO 111 CO 0.00 0.85 -0.70 -1.54 -0.23 0.00 0.00 178.00 176.38 1wgk s SER 112 N -6.87 1.01 -0.02 1.44 1.04 -1.26 -5.17 113.70 103.88 1wgk s SER 112 Ca -0.07 -0.89 -0.23 0.00 0.48 0.00 0.00 55.95 55.25 1wgk s SER 112 Cb 0.12 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1wgk s SER 112 CO 0.82 -0.41 0.50 -0.44 0.98 0.00 0.00 173.24 174.69 1wgk s SER 113 N -2.66 -0.42 0.00 7.02 0.01 -1.26 -4.52 113.70 111.86 1wgk s SER 113 Ca 0.06 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1wgk s SER 113 Cb 0.02 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1wgk s SER 113 CO -0.04 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.66