#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 6.84 -0.28 1.61 0.15 -1.26 -5.07 113.70 115.69 1wgk s SER 2 Ca 0.00 1.53 -0.08 0.00 0.70 0.00 0.00 55.95 58.10 1wgk s SER 2 Cb 0.00 -2.47 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1wgk s SER 2 CO 0.00 -0.33 0.59 -0.94 1.20 0.00 0.00 173.24 173.75 1wgk s SER 3 N -2.33 -0.96 0.77 5.45 1.04 -1.26 -5.11 113.70 111.30 1wgk s SER 3 Ca 0.59 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1wgk s SER 3 Cb -0.10 2.05 0.00 0.00 0.10 0.00 0.00 66.02 68.08 1wgk s SER 3 CO 0.17 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1wgk n GLY 4 N 5.43 2.97 3.59 7.32 0.00 -1.26 -4.58 105.19 118.67 1wgk n GLY 4 Ca -0.09 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1wgk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgk s SER 5 N -4.00 4.34 0.00 1.61 0.01 -1.26 -5.05 113.70 109.35 1wgk s SER 5 Ca 0.00 -0.61 -0.24 0.00 1.31 0.00 0.00 55.95 56.41 1wgk s SER 5 Cb 0.00 -0.76 -0.18 0.00 0.21 0.00 0.00 66.02 65.29 1wgk s SER 5 CO 0.00 0.07 1.28 -1.28 0.41 0.00 0.00 173.24 173.72 1wgk h SER 6 N 2.52 0.16 -4.58 2.44 0.87 -2.03 -3.47 113.55 109.46 1wgk h SER 6 Ca -0.45 -0.50 -0.26 0.00 -1.23 0.00 0.00 61.79 59.34 1wgk h SER 6 Cb 1.22 -0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 62.99 1wgk h SER 6 CO 0.57 0.63 -0.67 -0.83 -0.53 0.00 0.00 176.83 176.00 1wgk s GLY 7 N -3.32 1.06 0.48 5.77 0.00 -1.26 -5.12 107.32 104.93 1wgk s GLY 7 Ca -0.15 -1.51 -0.16 0.00 0.00 0.00 0.00 44.72 42.90 1wgk s GLY 7 CO 0.71 -1.50 -0.15 1.15 0.00 0.00 0.00 173.10 173.31 1wgk n MET 8 N -0.17 0.00 -2.40 2.90 -0.00 -1.26 -4.94 117.12 111.25 1wgk n MET 8 Ca -0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 57.70 57.37 1wgk n MET 8 Cb 0.62 -0.91 0.04 0.00 -0.00 0.00 0.00 33.22 32.98 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 -1.82 3.37 0.21 3.17 0.00 -1.26 -4.96 121.76 120.47 1wgk s ALA 9 Ca 0.51 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1wgk s ALA 9 Cb -0.44 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1wgk s ALA 9 CO 0.61 -0.94 0.34 0.00 0.00 0.00 0.00 175.76 175.77 1wgk s ALA 10 N -3.02 3.93 0.01 0.00 0.00 -1.26 -4.05 121.76 117.38 1wgk s ALA 10 Ca 0.56 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1wgk s ALA 10 Cb -0.11 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 1wgk s ALA 10 CO 0.43 0.36 1.44 -1.25 0.00 0.00 0.00 175.76 176.75 1wgk s PRO 11 N -3.66 4.27 0.13 0.00 0.04 -1.26 -3.42 135.00 131.10 1wgk s PRO 11 Ca 0.35 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 1wgk s PRO 11 Cb -0.10 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 1wgk s PRO 11 CO 0.29 -0.61 0.32 -0.48 0.04 0.00 0.00 177.00 176.57 1wgk s LEU 12 N 2.47 4.29 -0.06 -3.56 0.05 0.43 -4.87 118.68 117.43 1wgk s LEU 12 Ca 0.65 0.41 0.05 0.00 0.05 0.00 0.00 54.13 55.29 1wgk s LEU 12 Cb -0.33 -3.14 -0.02 0.00 -2.05 0.00 0.00 46.19 40.66 1wgk s LEU 12 CO 0.27 0.07 -0.21 0.00 -0.55 0.00 0.00 176.35 175.93 1wgk s VAL 14 N -0.26 0.37 0.23 0.00 -7.23 0.13 -2.36 120.40 111.28 1wgk s VAL 14 Ca -0.00 -0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 59.64 1wgk s VAL 14 Cb -0.13 -0.34 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 1wgk s VAL 14 CO 0.03 0.03 0.76 -0.54 -0.31 0.00 0.00 175.10 175.07 1wgk s LYS 15 N -0.32 4.33 -0.05 4.82 1.02 -0.75 -0.30 119.74 128.49 1wgk s LYS 15 Ca -0.00 0.97 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 1wgk s LYS 15 Cb -0.03 -2.91 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1wgk s LYS 15 CO -0.00 0.40 0.02 0.08 -0.92 0.00 0.00 175.35 174.93 1wgk s VAL 16 N -1.50 0.14 -0.10 3.17 1.01 -0.06 -0.34 120.40 122.72 1wgk s VAL 16 Ca 0.43 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1wgk s VAL 16 Cb -0.18 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1wgk s VAL 16 CO 0.22 0.20 -0.19 -0.70 0.00 0.00 0.00 175.10 174.63 1wgk s GLU 17 N 1.82 2.60 -0.04 2.72 2.12 -1.05 -0.10 118.70 126.76 1wgk s GLU 17 Ca 0.01 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.62 1wgk s GLU 17 Cb -0.12 -2.06 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 1wgk s GLU 17 CO -0.04 0.05 0.04 -0.06 -0.54 0.00 0.00 175.26 174.72 1wgk s PHE 18 N 0.65 3.21 0.00 5.30 0.40 -1.14 -1.52 117.98 124.88 1wgk s PHE 18 Ca -0.13 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1wgk s PHE 18 Cb -0.16 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1wgk s PHE 18 CO 0.03 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.88 1wgk n GLY 19 N 1.59 -3.23 3.48 4.36 0.00 0.13 -4.66 105.19 106.87 1wgk n GLY 19 Ca -0.16 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 1.55 0.00 -0.02 0.00 -1.26 -4.42 107.32 103.17 1wgk s GLY 20 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1wgk s GLY 20 CO 0.00 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1wgk n GLY 21 N 2.12 2.30 0.13 0.20 0.00 -1.26 -4.51 105.19 104.17 1wgk n GLY 21 Ca -0.17 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 0.13 -1.15 4.61 0.00 -1.89 -3.26 119.26 117.70 1wgk h ALA 22 Ca 0.00 -0.81 0.32 0.00 0.00 0.00 0.00 54.91 54.42 1wgk h ALA 22 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1wgk h ALA 22 CO 0.00 0.86 0.78 1.05 0.00 0.00 0.00 179.25 181.94 1wgk h GLU 23 N 0.16 0.17 -0.73 0.00 9.09 -1.83 0.52 114.58 121.96 1wgk h GLU 23 Ca -0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.25 1wgk h GLU 23 Cb 1.87 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 28.90 1wgk h GLU 23 CO 0.20 0.11 0.40 -0.07 0.05 0.00 0.00 179.01 179.71 1wgk h LEU 24 N 0.18 0.90 0.00 3.06 3.38 -1.88 -0.12 115.31 120.82 1wgk h LEU 24 Ca 0.60 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1wgk h LEU 24 Cb 1.99 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1wgk h LEU 24 CO -0.17 0.72 0.00 0.18 0.09 0.00 0.00 178.44 179.27 1wgk n LEU 25 N -4.36 0.00 -3.60 1.67 4.77 0.18 -3.44 117.00 112.23 1wgk n LEU 25 Ca 0.07 0.13 -0.28 0.00 -0.03 0.00 0.00 56.01 55.90 1wgk n LEU 25 Cb 0.10 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 1wgk n LEU 25 CO 0.38 -0.07 -0.25 -0.36 -1.33 0.00 0.00 177.39 175.76 1wgk s PHE 26 N -2.27 1.71 0.00 -1.77 0.08 -0.16 -2.57 117.98 113.01 1wgk s PHE 26 Ca 0.18 -2.38 0.00 0.00 0.12 0.00 0.00 56.93 54.85 1wgk s PHE 26 Cb 0.10 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1wgk s PHE 26 CO 0.19 -0.77 0.00 -0.25 -0.10 0.00 0.00 175.22 174.29 1wgk n ASP 27 N 3.19 -0.78 -3.81 1.36 8.00 -1.25 -1.62 116.55 121.64 1wgk n ASP 27 Ca 0.17 0.39 -0.27 0.00 0.71 0.00 0.00 54.79 55.79 1wgk n ASP 27 Cb 0.39 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgk n GLY 28 N -0.39 -1.25 2.95 0.44 0.00 -0.59 -4.98 105.19 101.37 1wgk n GLY 28 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.07 0.02 -0.00 1.61 1.01 -0.64 -4.92 120.40 114.42 1wgk s VAL 29 Ca 0.07 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 1wgk s VAL 29 Cb -0.04 -0.14 -0.13 0.00 0.00 0.00 0.00 36.38 36.07 1wgk s VAL 29 CO 0.90 -0.11 0.98 0.11 0.00 0.00 0.00 175.10 176.98 1wgk h LYS 30 N 5.71 -0.75 -5.55 2.72 6.56 -1.90 -3.44 116.57 119.92 1wgk h LYS 30 Ca -0.26 0.05 -0.65 0.00 -1.06 0.00 0.00 60.65 58.73 1wgk h LYS 30 Cb 1.21 0.17 -0.19 0.00 -0.57 0.00 0.00 32.23 32.84 1wgk h LYS 30 CO 0.46 -0.47 -0.65 0.15 -2.06 0.00 0.00 179.45 176.88 1wgk s LYS 31 N -4.27 3.44 -0.05 3.15 1.02 -1.26 -2.90 119.74 118.87 1wgk s LYS 31 Ca -0.12 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.44 1wgk s LYS 31 Cb 0.01 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1wgk s LYS 31 CO 0.38 0.40 -0.21 -1.01 -0.92 0.00 0.00 175.35 173.99 1wgk s HIS 32 N -0.05 2.07 -0.49 3.18 3.76 0.85 -4.98 115.29 119.63 1wgk s HIS 32 Ca 0.02 -0.60 -0.19 0.00 -0.15 0.00 0.00 55.06 54.14 1wgk s HIS 32 Cb -0.13 -1.37 0.05 0.00 1.11 0.00 0.00 32.58 32.24 1wgk s HIS 32 CO 0.02 -0.19 0.60 -1.14 -0.85 0.00 0.00 174.74 173.19 1wgk s GLN 33 N -0.08 3.13 0.08 1.40 0.74 -1.26 -0.88 119.66 122.79 1wgk s GLN 33 Ca -0.03 -0.85 -0.17 0.00 0.05 0.00 0.00 55.36 54.35 1wgk s GLN 33 Cb -0.13 -4.08 -0.07 0.00 1.10 0.00 0.00 33.01 29.84 1wgk s GLN 33 CO 0.03 -1.17 0.53 0.08 -0.55 0.00 0.00 175.29 174.21 1wgk s VAL 34 N 2.57 4.83 -0.37 1.34 1.01 0.58 -4.95 120.40 125.41 1wgk s VAL 34 Ca 0.15 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1wgk s VAL 34 Cb -0.19 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.50 1wgk s VAL 34 CO 0.12 0.48 0.18 0.00 0.00 0.00 0.00 175.10 175.88 1wgk s ALA 35 N -1.20 1.63 0.34 5.51 0.00 -1.26 0.19 121.76 126.98 1wgk s ALA 35 Ca 0.30 -2.08 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 1wgk s ALA 35 Cb -0.18 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 1wgk s ALA 35 CO 0.18 -1.93 0.84 -0.51 0.00 0.00 0.00 175.76 174.34 1wgk s LEU 36 N 0.99 4.11 0.00 0.00 1.43 0.44 -4.86 118.68 120.80 1wgk s LEU 36 Ca 0.15 1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 54.69 1wgk s LEU 36 Cb -0.21 -4.13 0.11 0.00 0.03 0.00 0.00 46.19 41.98 1wgk s LEU 36 CO -0.09 -0.19 0.40 -0.81 0.23 0.00 0.00 176.35 175.88 1wgk n PRO 37 N -0.12 -1.80 -5.16 1.29 -0.04 -1.26 0.16 135.00 128.07 1wgk n PRO 37 Ca 0.03 -0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 62.55 1wgk n PRO 37 Cb 0.53 -0.60 -0.17 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.21 1.22 0.25 0.55 0.00 -1.22 -3.81 107.32 101.11 1wgk s GLY 38 Ca 0.26 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 1wgk s GLY 38 CO 0.20 -0.49 0.47 -0.86 0.00 0.00 0.00 173.10 172.42 1wgk s GLN 39 N 0.03 1.57 0.37 2.90 -2.07 -1.26 -4.03 119.66 117.17 1wgk s GLN 39 Ca -0.08 -1.31 0.12 0.00 -1.82 0.00 0.00 55.36 52.28 1wgk s GLN 39 Cb -0.15 0.46 0.93 0.00 -1.09 0.00 0.00 33.01 33.16 1wgk s GLN 39 CO 0.05 -0.65 1.82 0.93 -1.32 0.00 0.00 175.29 176.12 1wgk h GLU 40 N 2.26 0.56 -5.70 9.60 3.07 -1.95 -3.40 114.58 119.01 1wgk h GLU 40 Ca -0.27 -0.03 -0.67 0.00 -0.50 0.00 0.00 59.36 57.89 1wgk h GLU 40 Cb 1.25 -0.13 -0.10 0.00 -0.84 0.00 0.00 28.75 28.93 1wgk h GLU 40 CO 0.36 0.37 -0.53 -1.21 -1.40 0.00 0.00 179.01 176.61 1wgk s GLU 41 N -5.62 3.38 0.65 2.33 2.02 -1.26 -4.85 118.70 115.34 1wgk s GLU 41 Ca -0.10 -0.23 -0.15 0.00 0.02 0.00 0.00 54.97 54.51 1wgk s GLU 41 Cb 0.24 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 1wgk s GLU 41 CO 0.79 0.70 1.11 -1.25 0.02 0.00 0.00 175.26 176.64 1wgk s PRO 42 N -0.83 2.86 -0.48 0.39 0.04 -1.26 -4.95 135.00 130.77 1wgk s PRO 42 Ca 0.13 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1wgk s PRO 42 Cb -0.12 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1wgk s PRO 42 CO 0.03 -1.20 1.45 -1.58 0.04 0.00 0.00 177.00 175.73 1wgk s TRP 43 N -2.28 2.29 0.12 0.56 0.52 -1.26 -4.90 118.94 114.01 1wgk s TRP 43 Ca 0.68 0.59 -0.02 0.00 0.02 0.00 0.00 56.10 57.37 1wgk s TRP 43 Cb -0.21 -4.33 -0.05 0.00 -1.15 0.00 0.00 33.47 27.73 1wgk s TRP 43 CO 0.40 -2.03 0.32 -0.51 0.02 0.00 0.00 176.95 175.14 1wgk s ASP 44 N 4.41 6.42 0.11 2.95 1.01 -1.26 -0.60 116.67 129.72 1wgk s ASP 44 Ca 0.59 0.43 -0.22 0.00 0.71 0.00 0.00 52.55 54.06 1wgk s ASP 44 Cb -0.13 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1wgk s ASP 44 CO 0.29 0.08 1.10 -0.38 0.21 0.00 0.00 175.17 176.47 1wgk n ILE 45 N 0.02 -0.48 -0.20 0.77 2.08 -1.09 -0.42 119.36 120.03 1wgk n ILE 45 Ca -0.04 1.73 -0.05 0.00 0.56 0.00 0.00 62.75 64.95 1wgk n ILE 45 Cb 0.52 -2.14 -0.05 0.00 -0.75 0.00 0.00 39.64 37.22 1wgk n ILE 45 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1wgk n ARG 46 N -4.87 -0.21 -0.05 0.38 0.63 -1.26 -0.24 116.66 111.04 1wgk n ARG 46 Ca 0.01 0.96 -0.11 0.00 -0.92 0.00 0.00 57.85 57.79 1wgk n ARG 46 Cb 0.18 -1.42 -0.05 0.00 0.45 0.00 0.00 32.46 31.62 1wgk n ARG 46 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1wgk h ASN 47 N 0.00 0.26 -1.00 6.15 2.35 -1.16 -3.17 115.58 119.02 1wgk h ASN 47 Ca 0.08 -0.24 0.15 0.00 -0.55 0.00 0.00 56.30 55.74 1wgk h ASN 47 Cb 0.19 -0.07 -0.16 0.00 0.05 0.00 0.00 38.32 38.34 1wgk h ASN 47 CO -0.44 0.43 -0.41 -0.11 -1.65 0.00 0.00 177.43 175.25 1wgk n LEU 48 N -4.80 -0.69 -0.22 1.61 7.94 0.66 0.01 117.00 121.52 1wgk n LEU 48 Ca -0.05 1.74 -0.02 0.00 -1.11 0.00 0.00 56.01 56.58 1wgk n LEU 48 Cb 0.17 -0.38 0.04 0.00 0.53 0.00 0.00 43.42 43.78 1wgk n LEU 48 CO 0.35 -1.55 0.68 -0.07 -1.11 0.00 0.00 177.39 175.70 1wgk h LEU 49 N 0.00 -0.86 -0.77 -1.96 -0.00 -0.95 0.12 115.31 110.90 1wgk h LEU 49 Ca 0.33 0.21 0.18 0.00 -0.00 0.00 0.00 57.88 58.60 1wgk h LEU 49 Cb 0.58 0.49 -0.12 0.00 -0.00 0.00 0.00 40.66 41.60 1wgk h LEU 49 CO -0.98 -0.26 0.11 0.58 -0.00 0.00 0.00 178.44 177.88 1wgk h VAL 50 N -0.07 0.40 0.58 1.22 2.07 -0.49 1.20 116.25 121.16 1wgk h VAL 50 Ca 0.29 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 1wgk h VAL 50 Cb 0.52 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1wgk h VAL 50 CO -0.69 0.03 -0.28 -0.25 0.02 0.00 0.00 177.57 176.40 1wgk h TRP 51 N 0.18 -0.73 0.00 1.57 7.01 -0.58 -2.72 115.95 120.68 1wgk h TRP 51 Ca 0.44 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1wgk h TRP 51 Cb 0.78 0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1wgk h TRP 51 CO -0.34 -0.41 0.00 0.82 -2.79 0.00 0.00 178.44 175.73 1wgk h ILE 52 N -1.12 0.00 0.00 2.65 2.04 -0.52 0.66 117.51 121.22 1wgk h ILE 52 Ca -0.08 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1wgk h ILE 52 Cb 0.65 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1wgk h ILE 52 CO 0.13 0.00 -0.18 0.11 0.00 0.00 0.00 178.15 178.21 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 0.16 0.13 116.57 120.81 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1wgk h LYS 53 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1wgk n LYS 54 N -2.40 0.00 -0.09 3.15 5.02 0.50 -4.44 118.16 119.89 1wgk n LYS 54 Ca 0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1wgk n LYS 54 Cb 0.46 -0.10 -0.09 0.00 -0.02 0.00 0.00 35.03 35.28 1wgk n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1wgk h ASN 55 N 0.00 -1.68 0.07 4.39 2.35 -0.08 -3.28 115.58 117.35 1wgk h ASN 55 Ca 0.00 0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1wgk h ASN 55 Cb 0.00 0.68 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1wgk h ASN 55 CO 0.00 -0.39 -0.03 0.25 -1.65 0.00 0.00 177.43 175.61 1wgk h LEU 56 N -0.41 -0.08 -9.35 1.61 5.85 -1.66 -3.44 115.31 107.82 1wgk h LEU 56 Ca 0.06 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.23 1wgk h LEU 56 Cb 0.57 0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.64 1wgk h LEU 56 CO -0.51 0.06 1.19 -0.11 -0.34 0.00 0.00 178.44 178.73 1wgk n LEU 57 N -2.91 3.97 -0.01 2.25 7.94 0.47 -4.50 117.00 124.20 1wgk n LEU 57 Ca -0.01 0.93 0.07 0.00 -1.11 0.00 0.00 56.01 55.89 1wgk n LEU 57 Cb 0.04 -1.49 -0.13 0.00 0.53 0.00 0.00 43.42 42.37 1wgk n LEU 57 CO 0.03 0.13 -0.73 0.29 -1.11 0.00 0.00 177.39 176.00 1wgk n LYS 58 N 7.10 0.60 -2.11 1.96 4.76 -1.06 -3.94 118.16 125.47 1wgk n LYS 58 Ca 0.20 -0.14 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 1wgk n LYS 58 Cb 0.38 -1.40 0.14 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.13 -0.45 -1.77 1.97 1.02 -1.24 -5.01 120.64 113.03 1wgk n GLU 59 Ca -0.05 -2.21 -0.42 0.00 -0.02 0.00 0.00 57.16 54.46 1wgk n GLU 59 Cb 0.49 -0.83 -0.02 0.00 -0.02 0.00 0.00 31.44 31.07 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 -5.11 4.12 -0.00 3.49 3.00 -1.26 -4.93 118.95 118.26 1wgk s ARG 60 Ca 0.62 2.59 -0.24 0.00 0.00 0.00 0.00 55.73 58.70 1wgk s ARG 60 Cb -0.03 -3.03 -0.18 0.00 0.00 0.00 0.00 34.95 31.71 1wgk s ARG 60 CO 0.42 -0.66 1.29 -1.00 0.00 0.00 0.00 175.30 175.36 1wgk h PRO 61 N 5.25 0.12 -0.42 3.54 0.13 -1.88 -3.06 132.00 135.67 1wgk h PRO 61 Ca -0.46 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 64.73 1wgk h PRO 61 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1wgk h PRO 61 CO 0.83 0.57 0.90 1.05 -0.23 0.00 0.00 178.00 181.11 1wgk h GLU 62 N -0.33 0.00 0.07 0.86 4.11 -1.88 0.39 114.58 117.80 1wgk h GLU 62 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wgk h GLU 62 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1wgk h GLU 62 CO 0.01 0.00 -0.04 -0.07 0.07 0.00 0.00 179.01 178.99 1wgk h LEU 63 N 0.00 -0.08 0.00 3.06 -0.00 -1.93 -3.42 115.31 112.94 1wgk h LEU 63 Ca 0.20 -0.43 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1wgk h LEU 63 Cb 1.99 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 1wgk h LEU 63 CO -0.00 0.58 -0.05 0.15 -0.00 0.00 0.00 178.44 179.12 1wgk h PHE 64 N -0.95 0.00 -4.00 1.13 3.57 -0.60 -3.48 116.94 112.61 1wgk h PHE 64 Ca -0.01 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.99 1wgk h PHE 64 Cb 0.51 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.02 1wgk h PHE 64 CO 0.11 0.00 -0.81 0.42 -2.23 0.00 0.00 178.31 175.80 1wgk s ILE 65 N -1.36 1.44 -0.46 1.41 1.01 0.99 -4.36 121.20 119.87 1wgk s ILE 65 Ca -0.02 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.33 1wgk s ILE 65 Cb 0.00 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.28 1wgk s ILE 65 CO 0.02 -0.04 0.22 -1.58 0.00 0.00 0.00 174.94 173.57 1wgk s GLN 66 N -1.57 1.96 0.02 2.79 2.00 -1.25 -2.82 119.66 120.79 1wgk s GLN 66 Ca 0.04 -2.20 0.00 0.00 -2.00 0.00 0.00 55.36 51.19 1wgk s GLN 66 Cb -0.09 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.28 1wgk s GLN 66 CO 0.03 -1.07 0.00 0.41 -0.50 0.00 0.00 175.29 174.16 1wgk n GLY 67 N 3.86 -1.72 0.25 2.59 0.00 -1.26 -4.45 105.19 104.46 1wgk n GLY 67 Ca 0.04 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1wgk n GLY 67 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgk h ASP 68 N 0.00 0.00 -2.83 1.61 2.03 -1.96 -3.44 116.42 111.84 1wgk h ASP 68 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1wgk h ASP 68 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1wgk h ASP 68 CO 0.00 0.17 -0.40 -0.94 -1.03 0.00 0.00 179.24 177.04 1wgk s SER 69 N -6.21 6.38 0.18 4.15 1.04 -1.26 -4.65 113.70 113.34 1wgk s SER 69 Ca -0.02 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.45 1wgk s SER 69 Cb 0.12 -1.98 -0.08 0.00 0.10 0.00 0.00 66.02 64.18 1wgk s SER 69 CO 0.61 0.04 1.16 0.68 0.98 0.00 0.00 173.24 176.71 1wgk s VAL 70 N -1.73 3.67 1.00 5.02 -7.23 -1.26 -3.89 120.40 115.98 1wgk s VAL 70 Ca 0.37 1.42 -0.18 0.00 -1.81 0.00 0.00 61.98 61.79 1wgk s VAL 70 Cb -0.12 -3.91 -0.10 0.00 0.56 0.00 0.00 36.38 32.82 1wgk s VAL 70 CO 0.28 0.23 -0.59 0.54 -0.31 0.00 0.00 175.10 175.25 1wgk n ARG 71 N 2.45 -0.17 0.00 4.82 1.74 -1.26 -4.75 116.66 119.49 1wgk n ARG 71 Ca 0.04 -0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1wgk n ARG 71 Cb 0.45 -1.24 0.31 0.00 -1.02 0.00 0.00 32.46 30.96 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 1.25 0.49 -0.03 5.56 -0.04 -1.26 -2.92 135.00 138.05 1wgk n PRO 72 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1wgk n PRO 72 Cb 0.59 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.12 3.62 0.55 0.00 -1.26 -4.98 105.19 102.98 1wgk n GLY 73 Ca 0.08 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.11 3.41 -0.36 -0.61 -1.09 -1.15 -4.14 121.20 115.15 1wgk s ILE 74 Ca -0.06 0.44 -0.18 0.00 -2.23 0.00 0.00 60.65 58.62 1wgk s ILE 74 Cb 0.02 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1wgk s ILE 74 CO 0.14 -0.24 0.49 -0.76 -1.23 0.00 0.00 174.94 173.34 1wgk s LEU 75 N 6.37 4.43 0.29 2.97 1.43 -0.16 -4.70 118.68 129.30 1wgk s LEU 75 Ca 0.82 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1wgk s LEU 75 Cb -0.28 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1wgk s LEU 75 CO 0.33 -0.49 0.46 0.68 0.23 0.00 0.00 176.35 177.56 1wgk s VAL 76 N 2.35 5.17 -0.18 -1.59 -7.23 -1.26 0.21 120.40 117.88 1wgk s VAL 76 Ca 0.17 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1wgk s VAL 76 Cb -0.16 -3.84 0.07 0.00 0.56 0.00 0.00 36.38 33.01 1wgk s VAL 76 CO 0.14 -0.42 0.41 -0.76 -0.31 0.00 0.00 175.10 174.15 1wgk s LEU 77 N -4.05 -0.28 -0.30 1.32 1.43 0.74 -4.04 118.68 113.50 1wgk s LEU 77 Ca 0.38 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 1wgk s LEU 77 Cb -0.10 1.32 -0.04 0.00 0.03 0.00 0.00 46.19 47.40 1wgk s LEU 77 CO 0.32 -0.21 0.24 -0.63 0.23 0.00 0.00 176.35 176.31 1wgk s ILE 78 N 1.84 5.27 -1.48 -0.59 1.01 -0.73 0.21 121.20 126.73 1wgk s ILE 78 Ca -0.07 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1wgk s ILE 78 Cb -0.10 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.79 1wgk s ILE 78 CO -0.13 0.15 0.54 0.59 0.00 0.00 0.00 174.94 176.09 1wgk n ASN 79 N 5.14 -1.28 -3.57 3.58 3.02 0.75 -0.74 115.26 122.16 1wgk n ASN 79 Ca -0.12 -0.99 -0.22 0.00 -0.03 0.00 0.00 54.58 53.22 1wgk n ASN 79 Cb 0.51 -3.04 0.08 0.00 -0.61 0.00 0.00 39.78 36.72 1wgk n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wgk n ASP 80 N -2.90 -4.22 -3.56 6.41 2.03 -1.26 -5.00 116.55 108.05 1wgk n ASP 80 Ca -0.20 -0.61 -0.09 0.00 0.52 0.00 0.00 54.79 54.41 1wgk n ASP 80 Cb 0.63 -4.90 -0.09 0.00 -0.72 0.00 0.00 41.12 36.03 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgk s ALA 81 N -3.36 -1.08 -0.30 -1.67 0.00 0.08 -5.11 121.76 110.32 1wgk s ALA 81 Ca 0.33 1.26 -0.38 0.00 0.00 0.00 0.00 51.96 53.17 1wgk s ALA 81 Cb -0.15 -1.41 -0.17 0.00 0.00 0.00 0.00 23.12 21.39 1wgk s ALA 81 CO 0.74 -0.91 1.21 -0.25 0.00 0.00 0.00 175.76 176.55 1wgk n ASP 82 N 5.38 0.72 0.13 0.00 8.00 -1.26 -1.77 116.55 127.75 1wgk n ASP 82 Ca -0.07 0.99 0.02 0.00 0.71 0.00 0.00 54.79 56.44 1wgk n ASP 82 Cb 0.50 -0.74 0.36 0.00 -0.02 0.00 0.00 41.12 41.22 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1wgk h TRP 83 N 3.71 0.21 0.00 1.24 5.08 -1.91 -2.05 115.95 122.23 1wgk h TRP 83 Ca -0.38 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.54 1wgk h TRP 83 Cb 1.16 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 27.26 1wgk h TRP 83 CO 0.52 0.40 -0.09 1.05 -1.28 0.00 0.00 178.44 179.05 1wgk h GLU 84 N 0.18 0.00 0.00 0.12 4.11 -1.89 0.27 114.58 117.38 1wgk h GLU 84 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.35 1wgk h GLU 84 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wgk h GLU 84 CO 0.03 0.09 -0.53 -0.07 0.07 0.00 0.00 179.01 178.60 1wgk h LEU 85 N 0.00 0.00 0.00 3.06 4.07 -1.72 -3.41 115.31 117.32 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 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1wgk h LEU 85 CO 0.01 0.51 -0.13 0.18 -1.08 0.00 0.00 178.44 177.93 1wgk n LEU 86 N -3.22 0.25 -2.83 1.67 4.77 -0.69 -5.04 117.00 111.91 1wgk n LEU 86 Ca 0.02 0.05 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1wgk n LEU 86 Cb 0.74 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1wgk n LEU 86 CO 0.41 -0.47 0.43 -0.83 -1.33 0.00 0.00 177.39 175.59 1wgk s GLY 87 N -3.24 -1.50 0.00 -0.72 0.00 0.87 -4.79 107.32 97.95 1wgk s GLY 87 Ca -0.04 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1wgk s GLY 87 CO 0.06 4.23 0.49 1.18 0.00 0.00 0.00 173.10 179.06 1wgk n GLU 88 N 3.82 0.00 0.00 2.90 4.71 -1.03 -0.49 120.64 130.56 1wgk n GLU 88 Ca 0.06 0.49 0.06 0.00 -0.01 0.00 0.00 57.16 57.77 1wgk n GLU 88 Cb 0.62 -0.84 -0.06 0.00 -1.01 0.00 0.00 31.44 30.16 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 -1.61 0.83 0.10 -4.62 4.77 -1.26 -4.40 117.00 110.82 1wgk n LEU 89 Ca 0.00 -0.57 0.02 0.00 -0.03 0.00 0.00 56.01 55.44 1wgk n LEU 89 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1wgk n LEU 89 CO 0.00 0.19 0.20 -0.78 -1.33 0.00 0.00 177.39 175.67 1wgk h ASP 90 N 0.40 0.00 -3.90 -1.43 3.58 -1.93 -3.37 116.42 109.76 1wgk h ASP 90 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1wgk h ASP 90 Cb 0.35 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.47 1wgk h ASP 90 CO 0.00 0.49 0.64 -0.47 -2.88 0.00 0.00 179.24 177.02 1wgk s TYR 91 N -2.98 2.97 -0.31 0.28 6.14 0.36 -4.96 117.35 118.86 1wgk s TYR 91 Ca 0.02 1.40 -0.03 0.00 0.64 0.00 0.00 57.07 59.09 1wgk s TYR 91 Cb 0.08 -3.70 0.04 0.00 0.42 0.00 0.00 41.96 38.81 1wgk s TYR 91 CO 0.77 -1.97 0.03 -0.65 0.64 0.00 0.00 175.55 174.36 1wgk s GLN 92 N -1.91 2.52 0.19 4.97 -0.21 -1.26 -2.69 119.66 121.27 1wgk s GLN 92 Ca 0.51 -1.22 -0.31 0.00 0.02 0.00 0.00 55.36 54.36 1wgk s GLN 92 Cb -0.40 -3.25 -0.10 0.00 1.00 0.00 0.00 33.01 30.26 1wgk s GLN 92 CO 0.53 -0.62 1.56 -0.51 -2.12 0.00 0.00 175.29 174.13 1wgk s LEU 93 N 1.30 4.37 0.00 2.90 1.43 0.23 -4.93 118.68 123.99 1wgk s LEU 93 Ca -0.04 2.66 0.05 0.00 -1.03 0.00 0.00 54.13 55.77 1wgk s LEU 93 Cb -0.19 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.48 1wgk s LEU 93 CO -0.00 -0.82 0.47 0.00 0.23 0.00 0.00 176.35 176.23 1wgk n GLN 94 N 3.59 0.75 -2.25 1.70 1.13 -1.26 -4.02 117.38 117.02 1wgk n GLN 94 Ca 0.12 -1.81 -0.40 0.00 -1.94 0.00 0.00 57.00 52.97 1wgk n GLN 94 Cb 0.39 -0.15 -0.02 0.00 0.11 0.00 0.00 30.24 30.56 1wgk n GLN 94 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wgk s ASP 95 N -3.11 6.74 -1.22 1.08 -4.77 -1.26 -3.41 116.67 110.72 1wgk s ASP 95 Ca 0.36 2.47 -0.02 0.00 -3.30 0.00 0.00 52.55 52.06 1wgk s ASP 95 Cb -0.03 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1wgk s ASP 95 CO 0.23 -0.54 1.03 0.00 0.70 0.00 0.00 175.17 176.59 1wgk n GLN 96 N 0.54 -6.83 -4.05 2.11 1.13 -1.00 -5.00 117.38 104.29 1wgk n GLN 96 Ca 0.02 0.84 -0.34 0.00 -1.94 0.00 0.00 57.00 55.58 1wgk n GLN 96 Cb 0.44 -5.86 -0.07 0.00 0.11 0.00 0.00 30.24 24.87 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 -4.18 5.90 -0.16 1.08 -1.08 -1.22 -4.99 116.67 112.02 1wgk s ASP 97 Ca 0.10 0.24 -0.05 0.00 -0.52 0.00 0.00 52.55 52.31 1wgk s ASP 97 Cb -0.04 -1.76 -0.03 0.00 -1.46 0.00 0.00 42.92 39.62 1wgk s ASP 97 CO 0.73 0.30 -0.00 -0.44 0.52 0.00 0.00 175.17 176.27 1wgk s SER 98 N -1.63 5.11 0.19 -0.34 0.01 -1.26 -1.81 113.70 113.96 1wgk s SER 98 Ca 0.22 -0.05 0.10 0.00 1.31 0.00 0.00 55.95 57.53 1wgk s SER 98 Cb -0.12 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1wgk s SER 98 CO 0.13 0.18 -0.20 -0.63 0.41 0.00 0.00 173.24 173.12 1wgk s ILE 99 N 0.34 2.06 0.03 1.44 -1.09 0.54 -0.18 121.20 124.33 1wgk s ILE 99 Ca -0.01 -2.01 -0.00 0.00 -2.23 0.00 0.00 60.65 56.40 1wgk s ILE 99 Cb -0.13 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1wgk s ILE 99 CO 0.02 -0.26 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.22 1wgk s LEU 100 N -2.76 2.28 -0.09 2.97 2.96 0.13 -2.54 118.68 121.63 1wgk s LEU 100 Ca 0.19 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 1wgk s LEU 100 Cb -0.06 0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.76 1wgk s LEU 100 CO 0.08 -0.34 0.21 -0.36 -1.32 0.00 0.00 176.35 174.63 1wgk s PHE 101 N -1.82 -0.26 -0.08 5.38 0.40 -0.58 -0.19 117.98 120.84 1wgk s PHE 101 Ca -0.12 0.64 0.04 0.00 -0.60 0.00 0.00 56.93 56.89 1wgk s PHE 101 Cb -0.07 0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.50 1wgk s PHE 101 CO -0.02 -0.16 -0.23 0.42 0.70 0.00 0.00 175.22 175.93 1wgk s ILE 102 N 0.67 1.92 -0.43 0.64 1.09 0.13 -0.69 121.20 124.53 1wgk s ILE 102 Ca -0.05 -0.96 -0.13 0.00 -1.10 0.00 0.00 60.65 58.41 1wgk s ILE 102 Cb -0.06 -1.65 0.06 0.00 -1.06 0.00 0.00 42.46 39.75 1wgk s ILE 102 CO -0.04 0.53 0.32 -0.55 -0.10 0.00 0.00 174.94 175.10 1wgk s SER 103 N 0.20 5.98 -0.48 3.58 0.15 -1.26 -0.99 113.70 120.88 1wgk s SER 103 Ca -0.13 -1.22 0.03 0.00 0.70 0.00 0.00 55.95 55.33 1wgk s SER 103 Cb -0.16 -2.12 0.49 0.00 -1.71 0.00 0.00 66.02 62.52 1wgk s SER 103 CO 0.06 -0.54 1.70 1.07 1.20 0.00 0.00 173.24 176.73 1wgk n THR 104 N 5.11 3.11 -0.01 6.45 5.66 -1.26 -4.48 114.28 128.86 1wgk n THR 104 Ca -0.12 -3.11 -0.02 0.00 -3.05 0.00 0.00 64.05 57.76 1wgk n THR 104 Cb 0.45 -0.92 -0.01 0.00 -1.55 0.00 0.00 70.33 68.30 1wgk n THR 104 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1wgk n LEU 105 N -0.93 1.92 -4.56 1.09 4.77 -1.26 -4.92 117.00 113.11 1wgk n LEU 105 Ca 0.53 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 1wgk n LEU 105 Cb 0.94 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.90 1wgk n LEU 105 CO 0.57 0.35 1.29 -2.28 -1.33 0.00 0.00 177.39 175.98 1wgk s HIS 106 N -2.03 1.51 -5.00 -1.77 2.46 -1.26 -4.65 115.29 104.54 1wgk s HIS 106 Ca -0.02 1.28 0.00 0.00 0.47 0.00 0.00 55.06 56.78 1wgk s HIS 106 Cb 0.01 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 1wgk s HIS 106 CO 0.04 -1.56 0.00 0.41 -2.47 0.00 0.00 174.74 171.16 1wgk n GLY 107 N 6.72 -0.23 0.00 1.59 0.00 -1.26 -4.98 105.19 107.03 1wgk n GLY 107 Ca 0.43 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 2.32 3.64 -0.02 0.00 -1.26 -5.02 105.19 104.85 1wgk n GLY 108 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1wgk n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgk n SER 109 N 0.00 -2.77 0.00 1.61 2.88 -1.26 -4.94 113.62 109.14 1wgk n SER 109 Ca 0.00 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1wgk n SER 109 Cb 0.00 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 1wgk n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgk n GLY 110 N -1.53 0.59 0.00 0.46 0.00 -1.26 -4.84 105.19 98.61 1wgk n GLY 110 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 0.49 -3.20 1.61 -0.04 -1.26 -4.84 135.00 127.71 1wgk n PRO 111 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1wgk n PRO 111 Cb 0.00 -1.38 0.07 0.00 -0.04 0.00 0.00 33.50 32.15 1wgk n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgk n SER 112 N -0.88 -2.57 -4.92 3.54 7.64 -1.26 -5.01 113.62 110.16 1wgk n SER 112 Ca 0.09 -0.50 -0.26 0.00 1.01 0.00 0.00 58.87 59.21 1wgk n SER 112 Cb 0.04 -4.27 0.02 0.00 -1.01 0.00 0.00 64.21 58.99 1wgk n SER 112 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgk s SER 113 N -3.98 5.84 0.00 6.43 1.04 -1.26 -5.14 113.70 116.62 1wgk s SER 113 Ca 0.07 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1wgk s SER 113 Cb -0.03 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1wgk s SER 113 CO 0.60 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.57