#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 4.51 -0.28 1.61 0.01 -1.26 -5.11 113.70 113.18 1wgk s SER 2 Ca 0.00 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 1wgk s SER 2 Cb 0.00 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 1wgk s SER 2 CO 0.00 0.16 0.08 -0.44 0.41 0.00 0.00 173.24 173.45 1wgk s SER 3 N -2.40 5.15 -0.50 2.44 0.01 -1.26 -5.06 113.70 112.09 1wgk s SER 3 Ca 0.23 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 1wgk s SER 3 Cb -0.11 -1.91 0.13 0.00 0.21 0.00 0.00 66.02 64.35 1wgk s SER 3 CO 0.15 -0.12 0.29 -0.83 0.41 0.00 0.00 173.24 173.14 1wgk s GLY 4 N 1.57 2.26 0.08 3.44 0.00 -1.26 -5.08 107.32 108.33 1wgk s GLY 4 Ca 0.05 -2.94 0.05 0.00 0.00 0.00 0.00 44.72 41.88 1wgk s GLY 4 CO 0.03 1.05 -0.02 -0.45 0.00 0.00 0.00 173.10 173.70 1wgk s SER 5 N 0.95 4.88 -0.07 1.64 0.15 -1.26 -5.13 113.70 114.86 1wgk s SER 5 Ca 0.13 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.39 1wgk s SER 5 Cb -0.22 -1.12 0.04 0.00 -1.71 0.00 0.00 66.02 63.01 1wgk s SER 5 CO -0.04 0.19 0.43 -0.44 1.20 0.00 0.00 173.24 174.58 1wgk s SER 6 N -2.20 -0.38 0.00 5.45 0.01 -1.26 -5.02 113.70 110.30 1wgk s SER 6 Ca 0.24 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1wgk s SER 6 Cb -0.12 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1wgk s SER 6 CO 0.16 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wgk n GLY 7 N 1.68 2.13 3.33 3.44 0.00 -1.26 -5.10 105.19 109.41 1wgk n GLY 7 Ca -0.18 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1wgk n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wgk n MET 8 N 0.00 -1.76 -2.64 1.61 -0.00 -1.26 -5.01 117.12 108.05 1wgk n MET 8 Ca 0.00 -0.49 -0.22 0.00 -0.00 0.00 0.00 57.70 56.98 1wgk n MET 8 Cb 0.00 -1.82 0.08 0.00 -0.00 0.00 0.00 33.22 31.48 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 -2.28 3.86 0.15 3.17 0.00 -1.24 -5.01 121.76 120.41 1wgk s ALA 9 Ca 0.59 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1wgk s ALA 9 Cb -0.15 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1wgk s ALA 9 CO 0.66 -1.14 0.34 0.00 0.00 0.00 0.00 175.76 175.62 1wgk s ALA 10 N -2.96 3.87 -0.04 0.00 0.00 -1.26 -4.29 121.76 117.08 1wgk s ALA 10 Ca 0.62 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 1wgk s ALA 10 Cb -0.07 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1wgk s ALA 10 CO 0.42 0.59 1.48 -1.25 0.00 0.00 0.00 175.76 177.00 1wgk s PRO 11 N -2.96 4.23 0.33 0.00 0.04 -1.26 -3.75 135.00 131.63 1wgk s PRO 11 Ca 0.38 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 1wgk s PRO 11 Cb -0.12 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 1wgk s PRO 11 CO 0.28 -0.71 0.61 -0.48 0.04 0.00 0.00 177.00 176.74 1wgk s LEU 12 N 3.19 3.97 -0.12 -3.56 0.05 0.14 -4.87 118.68 117.48 1wgk s LEU 12 Ca 0.66 0.75 0.02 0.00 0.05 0.00 0.00 54.13 55.62 1wgk s LEU 12 Cb -0.31 -3.60 0.01 0.00 -2.05 0.00 0.00 46.19 40.24 1wgk s LEU 12 CO 0.26 -0.28 -0.18 0.00 -0.55 0.00 0.00 176.35 175.60 1wgk s VAL 14 N 0.93 1.60 -0.28 0.00 -7.23 1.00 -2.29 120.40 114.11 1wgk s VAL 14 Ca -0.06 -1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.86 1wgk s VAL 14 Cb -0.15 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1wgk s VAL 14 CO -0.02 0.25 0.40 -0.54 -0.31 0.00 0.00 175.10 174.87 1wgk s LYS 15 N -1.00 3.94 -0.16 4.82 1.02 -0.79 -0.54 119.74 127.03 1wgk s LYS 15 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 55.97 55.95 1wgk s LYS 15 Cb -0.08 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 1wgk s LYS 15 CO 0.01 -0.34 0.21 0.08 -0.92 0.00 0.00 175.35 174.39 1wgk s VAL 16 N 2.11 5.37 -0.07 3.17 1.01 0.07 -0.20 120.40 131.87 1wgk s VAL 16 Ca 0.15 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1wgk s VAL 16 Cb -0.16 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1wgk s VAL 16 CO 0.10 0.46 -0.12 -0.70 0.00 0.00 0.00 175.10 174.84 1wgk s GLU 17 N 0.12 1.65 -0.02 2.72 2.12 0.29 -0.24 118.70 125.34 1wgk s GLU 17 Ca 0.13 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.13 1wgk s GLU 17 Cb -0.12 -1.38 -0.02 0.00 0.26 0.00 0.00 34.13 32.86 1wgk s GLU 17 CO 0.02 0.01 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.49 1wgk s PHE 18 N 0.72 2.51 0.13 5.30 0.08 -1.17 -1.25 117.98 124.29 1wgk s PHE 18 Ca -0.14 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 56.70 1wgk s PHE 18 Cb -0.16 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1wgk s PHE 18 CO 0.03 0.11 -0.13 0.20 -0.10 0.00 0.00 175.22 175.32 1wgk s GLY 19 N -0.83 1.74 0.00 4.36 0.00 -0.84 -4.70 107.32 107.04 1wgk s GLY 19 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1wgk s GLY 19 CO 0.01 -1.34 0.00 0.61 0.00 0.00 0.00 173.10 172.38 1wgk n GLY 20 N 0.58 1.26 0.00 0.20 0.00 -1.26 -3.98 105.19 101.99 1wgk n GLY 20 Ca -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.80 0.31 -0.02 0.00 -1.26 -4.73 105.19 100.30 1wgk n GLY 21 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 1.29 0.00 4.61 0.00 -1.93 0.20 119.26 123.44 1wgk h ALA 22 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wgk h ALA 22 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wgk h ALA 22 CO 0.00 -0.29 -0.03 1.05 0.00 0.00 0.00 179.25 179.97 1wgk h GLU 23 N 0.00 0.00 -0.19 0.00 4.11 -1.84 -1.98 114.58 114.68 1wgk h GLU 23 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1wgk h GLU 23 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1wgk h GLU 23 CO 0.00 0.03 -0.34 -0.07 0.07 0.00 0.00 179.01 178.70 1wgk h LEU 24 N 0.00 0.42 0.00 3.06 3.38 -0.91 -2.15 115.31 119.11 1wgk h LEU 24 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wgk h LEU 24 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1wgk h LEU 24 CO 0.00 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.45 1wgk n LEU 25 N -4.07 0.00 -3.65 1.67 4.77 -0.75 -3.25 117.00 111.72 1wgk n LEU 25 Ca -0.01 0.20 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 1wgk n LEU 25 Cb 0.46 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1wgk n LEU 25 CO 0.43 -0.12 -0.21 -0.36 -1.33 0.00 0.00 177.39 175.80 1wgk s PHE 26 N -2.41 2.14 -0.03 -1.77 0.08 -0.86 -0.71 117.98 114.42 1wgk s PHE 26 Ca 0.14 -2.66 0.00 0.00 0.12 0.00 0.00 56.93 54.53 1wgk s PHE 26 Cb 0.09 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 1wgk s PHE 26 CO 0.18 -0.73 0.00 -0.25 -0.10 0.00 0.00 175.22 174.32 1wgk n ASP 27 N 2.82 -0.57 -3.57 1.36 8.00 -1.25 -1.73 116.55 121.61 1wgk n ASP 27 Ca 0.19 0.25 -0.18 0.00 0.71 0.00 0.00 54.79 55.77 1wgk n ASP 27 Cb 0.39 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.26 -1.27 3.02 0.44 0.00 -0.87 -5.00 105.19 101.25 1wgk n GLY 28 Ca -0.00 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.03 0.08 0.00 1.61 1.01 -0.71 -4.92 120.40 114.44 1wgk s VAL 29 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1wgk s VAL 29 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1wgk s VAL 29 CO 0.85 -0.36 0.46 0.29 0.00 0.00 0.00 175.10 176.35 1wgk n LYS 30 N 1.82 0.00 -3.86 2.72 5.02 -1.26 -4.70 118.16 117.90 1wgk n LYS 30 Ca -0.21 0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 56.21 1wgk n LYS 30 Cb 0.56 -1.22 -0.08 0.00 -0.02 0.00 0.00 35.03 34.27 1wgk n LYS 30 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wgk s LYS 31 N -1.89 3.99 -0.10 1.97 3.01 -1.26 -3.04 119.74 122.42 1wgk s LYS 31 Ca 0.00 -0.26 0.03 0.00 -1.01 0.00 0.00 55.97 54.74 1wgk s LYS 31 Cb 0.00 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.52 1wgk s LYS 31 CO 0.00 0.36 -0.22 -1.01 0.51 0.00 0.00 175.35 174.99 1wgk s HIS 32 N 0.16 2.39 -0.17 3.18 3.76 0.67 -4.97 115.29 120.31 1wgk s HIS 32 Ca 0.07 -1.01 -0.28 0.00 -0.15 0.00 0.00 55.06 53.70 1wgk s HIS 32 Cb -0.12 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1wgk s HIS 32 CO -0.00 -0.43 0.94 -1.14 -0.85 0.00 0.00 174.74 173.26 1wgk s GLN 33 N 0.47 4.32 -0.01 1.40 -0.44 -1.26 -0.75 119.66 123.39 1wgk s GLN 33 Ca -0.16 1.22 0.06 0.00 -2.50 0.00 0.00 55.36 53.97 1wgk s GLN 33 Cb -0.17 -3.59 -0.03 0.00 -1.64 0.00 0.00 33.01 27.58 1wgk s GLN 33 CO 0.07 -0.42 -0.17 0.08 0.50 0.00 0.00 175.29 175.35 1wgk s VAL 34 N 2.43 2.84 -0.36 1.34 1.01 0.29 -4.98 120.40 122.97 1wgk s VAL 34 Ca 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1wgk s VAL 34 Cb -0.17 -2.14 0.12 0.00 0.00 0.00 0.00 36.38 34.20 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 -0.81 1.53 0.10 5.51 0.00 -1.26 -0.00 121.76 126.83 1wgk s ALA 35 Ca 0.13 -2.00 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 1wgk s ALA 35 Cb -0.10 -1.69 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 1wgk s ALA 35 CO 0.03 -1.92 1.14 -0.51 0.00 0.00 0.00 175.76 174.50 1wgk s LEU 36 N 1.07 4.42 0.19 0.00 1.43 0.10 -4.86 118.68 121.04 1wgk s LEU 36 Ca 0.15 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 1wgk s LEU 36 Cb -0.21 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 1wgk s LEU 36 CO -0.11 -0.35 1.31 -2.16 0.23 0.00 0.00 176.35 175.27 1wgk s PRO 37 N 0.46 4.39 0.29 1.29 0.04 -1.26 -0.68 135.00 139.53 1wgk s PRO 37 Ca 0.54 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 1wgk s PRO 37 Cb -0.29 -3.20 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1wgk s PRO 37 CO 0.32 -0.26 1.48 0.41 0.04 0.00 0.00 177.00 178.99 1wgk n GLY 38 N 2.40 1.04 1.69 0.56 0.00 -1.25 -4.82 105.19 104.81 1wgk n GLY 38 Ca 0.06 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 1wgk n GLY 38 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wgk n GLN 39 N 1.75 0.50 0.00 1.61 6.02 -1.26 -4.57 117.38 121.43 1wgk n GLN 39 Ca 0.08 -1.74 0.07 0.00 -0.01 0.00 0.00 57.00 55.40 1wgk n GLN 39 Cb 0.35 1.16 0.37 0.00 1.02 0.00 0.00 30.24 33.15 1wgk n GLN 39 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wgk n GLU 40 N -0.40 0.22 -3.78 -1.09 -0.58 -1.26 -3.67 120.64 110.08 1wgk n GLU 40 Ca 0.00 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 1wgk n GLU 40 Cb 0.31 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.61 1wgk n GLU 40 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1wgk s GLU 41 N -2.55 0.80 -0.04 3.49 0.41 -1.26 -5.04 118.70 114.51 1wgk s GLU 41 Ca 0.14 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 53.82 1wgk s GLU 41 Cb 0.10 0.34 -0.05 0.00 -1.78 0.00 0.00 34.13 32.74 1wgk s GLU 41 CO 0.22 -0.26 1.48 -1.25 -0.49 0.00 0.00 175.26 174.96 1wgk s PRO 42 N -2.75 4.24 -0.39 0.39 0.04 -1.26 -4.90 135.00 130.37 1wgk s PRO 42 Ca -0.04 2.02 -0.43 0.00 0.04 0.00 0.00 61.00 62.59 1wgk s PRO 42 Cb -0.00 -3.74 -0.17 0.00 0.04 0.00 0.00 34.50 30.63 1wgk s PRO 42 CO -0.05 -0.70 1.78 0.91 0.04 0.00 0.00 177.00 178.99 1wgk n TRP 43 N 6.15 1.82 -4.11 0.56 7.02 -1.26 -4.62 117.44 123.01 1wgk n TRP 43 Ca 0.15 0.75 -0.32 0.00 -1.02 0.00 0.00 57.50 57.05 1wgk n TRP 43 Cb 0.43 -2.37 -0.07 0.00 -2.42 0.00 0.00 31.31 26.88 1wgk n TRP 43 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 1wgk s ASP 44 N 3.96 5.58 0.30 -0.99 1.47 -1.26 -0.41 116.67 125.31 1wgk s ASP 44 Ca 1.04 0.09 0.09 0.00 1.18 0.00 0.00 52.55 54.95 1wgk s ASP 44 Cb -1.25 -1.56 0.90 0.00 -0.34 0.00 0.00 42.92 40.68 1wgk s ASP 44 CO 0.70 0.25 1.39 -0.38 0.68 0.00 0.00 175.17 177.81 1wgk n ILE 45 N 1.01 -0.37 -0.27 2.11 2.08 -1.02 0.12 119.36 123.03 1wgk n ILE 45 Ca -0.12 1.88 0.09 0.00 0.56 0.00 0.00 62.75 65.16 1wgk n ILE 45 Cb 0.52 -2.87 0.23 0.00 -0.75 0.00 0.00 39.64 36.77 1wgk n ILE 45 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1wgk h ARG 46 N 0.00 0.22 0.07 0.38 2.43 -1.80 -2.06 114.38 113.62 1wgk h ARG 46 Ca 0.63 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.51 1wgk h ARG 46 Cb 1.49 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 1wgk h ARG 46 CO -0.77 0.15 -1.45 -0.91 -1.51 0.00 0.00 179.97 175.48 1wgk h ASN 47 N 0.23 0.23 -0.84 -3.80 2.35 0.71 -3.38 115.58 111.08 1wgk h ASN 47 Ca 0.48 -0.75 0.25 0.00 -0.55 0.00 0.00 56.30 55.73 1wgk h ASN 47 Cb 0.89 -0.07 -0.16 0.00 0.05 0.00 0.00 38.32 39.03 1wgk h ASN 47 CO -0.60 1.61 0.10 -0.11 -1.65 0.00 0.00 177.43 176.78 1wgk n LEU 48 N -4.04 -0.02 0.24 1.61 7.94 0.65 -0.27 117.00 123.11 1wgk n LEU 48 Ca -0.29 1.42 -0.14 0.00 -1.11 0.00 0.00 56.01 55.89 1wgk n LEU 48 Cb 0.84 -0.55 -0.07 0.00 0.53 0.00 0.00 43.42 44.17 1wgk n LEU 48 CO 0.32 -1.46 0.52 -0.07 -1.11 0.00 0.00 177.39 175.59 1wgk h LEU 49 N 0.00 -1.01 -0.70 -1.96 -0.00 -1.55 -2.09 115.31 108.00 1wgk h LEU 49 Ca 0.55 0.07 0.24 0.00 -0.00 0.00 0.00 57.88 58.74 1wgk h LEU 49 Cb 1.20 0.32 -0.13 0.00 -0.00 0.00 0.00 40.66 42.06 1wgk h LEU 49 CO -0.76 -0.51 0.18 0.52 -0.00 0.00 0.00 178.44 177.87 1wgk n VAL 50 N -4.68 -0.30 0.27 1.22 0.31 0.63 0.63 118.33 116.40 1wgk n VAL 50 Ca -0.09 1.49 -0.11 0.00 -0.01 0.00 0.00 64.34 65.62 1wgk n VAL 50 Cb 0.35 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 30.94 1wgk n VAL 50 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 1wgk h TRP 51 N 0.00 -0.67 -0.03 3.52 7.01 -1.30 -2.63 115.95 121.86 1wgk h TRP 51 Ca 0.51 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.50 1wgk h TRP 51 Cb 1.21 0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 28.49 1wgk h TRP 51 CO -0.19 -0.42 0.21 0.82 -2.79 0.00 0.00 178.44 176.07 1wgk h ILE 52 N -1.06 0.06 0.00 2.65 2.04 0.24 0.89 117.51 122.33 1wgk h ILE 52 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wgk h ILE 52 Cb 0.55 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1wgk h ILE 52 CO 0.12 0.00 -0.14 0.11 0.00 0.00 0.00 178.15 178.24 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 0.30 0.37 116.57 121.18 1wgk h LYS 53 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wgk h LYS 53 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1wgk h LYS 53 CO -0.00 0.00 -0.02 1.63 -0.57 0.00 0.00 179.45 180.49 1wgk n LYS 54 N -2.98 0.01 0.00 3.15 5.02 0.16 -4.49 118.16 119.03 1wgk n LYS 54 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1wgk n LYS 54 Cb 0.52 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1wgk n LYS 54 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wgk n ASN 55 N -2.75 0.00 0.01 4.39 3.02 0.26 -3.84 115.26 116.34 1wgk n ASN 55 Ca -0.00 0.97 -0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1wgk n ASN 55 Cb 0.01 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.01 -9.17 3.41 5.85 -1.68 -3.43 115.31 110.27 1wgk h LEU 56 Ca 0.00 0.00 -0.72 0.00 0.84 0.00 0.00 57.88 58.00 1wgk h LEU 56 Cb 0.00 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.06 1wgk h LEU 56 CO 0.00 -0.01 0.83 -0.11 -0.34 0.00 0.00 178.44 178.81 1wgk n LEU 57 N -2.06 2.30 -0.08 2.25 7.94 0.13 -4.69 117.00 122.79 1wgk n LEU 57 Ca -0.00 1.08 -0.06 0.00 -1.11 0.00 0.00 56.01 55.91 1wgk n LEU 57 Cb 0.01 -1.16 -0.15 0.00 0.53 0.00 0.00 43.42 42.65 1wgk n LEU 57 CO 0.00 -0.53 -1.05 1.17 -1.11 0.00 0.00 177.39 175.88 1wgk n LYS 58 N 4.91 0.94 -1.45 1.96 0.00 0.11 -4.23 118.16 120.41 1wgk n LYS 58 Ca 0.25 -0.03 -0.19 0.00 0.00 0.00 0.00 58.31 58.34 1wgk n LYS 58 Cb 0.15 -1.47 0.13 0.00 0.00 0.00 0.00 35.03 33.83 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 -2.61 -0.63 -1.74 1.64 4.71 -1.21 -4.99 120.64 115.80 1wgk n GLU 59 Ca -0.26 -1.51 -0.42 0.00 -0.01 0.00 0.00 57.16 54.96 1wgk n GLU 59 Cb 1.02 -0.81 -0.02 0.00 -1.01 0.00 0.00 31.44 30.62 1wgk n GLU 59 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wgk n ARG 60 N -2.75 2.76 0.02 3.49 5.12 -1.26 -4.93 116.66 119.10 1wgk n ARG 60 Ca 0.11 0.99 -0.13 0.00 -1.93 0.00 0.00 57.85 56.89 1wgk n ARG 60 Cb 0.39 -2.80 -0.09 0.00 -1.16 0.00 0.00 32.46 28.80 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 5.52 -0.08 -0.41 5.56 0.13 -1.84 -3.06 132.00 137.83 1wgk h PRO 61 Ca -0.46 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1wgk h PRO 61 Cb 1.21 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1wgk h PRO 61 CO 0.85 0.38 0.74 1.05 -0.23 0.00 0.00 178.00 180.79 1wgk h GLU 62 N -0.57 0.00 0.05 0.86 -0.00 -1.89 0.50 114.58 113.53 1wgk h GLU 62 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1wgk h GLU 62 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.24 1wgk h GLU 62 CO 0.01 0.00 -0.03 -0.07 -0.00 0.00 0.00 179.01 178.93 1wgk h LEU 63 N 0.00 -0.06 0.03 3.06 4.07 -1.93 -3.41 115.31 117.08 1wgk h LEU 63 Ca 0.19 -0.55 -0.00 0.00 0.08 0.00 0.00 57.88 57.60 1wgk h LEU 63 Cb 1.68 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.43 1wgk h LEU 63 CO -0.00 0.66 -0.02 0.15 -1.08 0.00 0.00 178.44 178.15 1wgk h PHE 64 N -0.92 -0.04 -4.04 1.13 3.57 -0.80 -3.48 116.94 112.36 1wgk h PHE 64 Ca -0.01 -0.00 -0.44 0.00 3.53 0.00 0.00 57.97 61.06 1wgk h PHE 64 Cb 0.61 0.01 -0.25 0.00 2.79 0.00 0.00 35.95 39.11 1wgk h PHE 64 CO 0.15 -0.03 -0.79 0.42 -2.23 0.00 0.00 178.31 175.83 1wgk s ILE 65 N -1.60 1.08 -0.39 1.41 1.01 0.15 -4.34 121.20 118.51 1wgk s ILE 65 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1wgk s ILE 65 Cb 0.00 -0.98 0.11 0.00 0.01 0.00 0.00 42.46 41.60 1wgk s ILE 65 CO 0.02 0.00 0.13 -1.58 0.00 0.00 0.00 174.94 173.52 1wgk s GLN 66 N -1.10 1.72 0.07 2.79 0.74 -1.25 -2.96 119.66 119.67 1wgk s GLN 66 Ca 0.01 -2.00 0.00 0.00 0.05 0.00 0.00 55.36 53.42 1wgk s GLN 66 Cb -0.08 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1wgk s GLN 66 CO 0.01 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 1wgk n GLY 67 N 4.13 -2.51 0.17 2.59 0.00 -1.26 -4.39 105.19 103.92 1wgk n GLY 67 Ca 0.03 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 0.00 -2.97 1.61 3.32 -1.97 -3.43 116.42 112.98 1wgk h ASP 68 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1wgk h ASP 68 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1wgk h ASP 68 CO 0.00 0.00 -0.59 -0.55 -1.72 0.00 0.00 179.24 176.38 1wgk s SER 69 N -4.37 5.45 0.10 6.45 0.15 -1.26 -4.61 113.70 115.61 1wgk s SER 69 Ca 0.01 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.26 1wgk s SER 69 Cb 0.08 -1.42 -0.06 0.00 -1.71 0.00 0.00 66.02 62.91 1wgk s SER 69 CO 0.34 0.12 1.16 0.68 1.20 0.00 0.00 173.24 176.74 1wgk s VAL 70 N -1.56 3.99 1.00 4.45 -7.23 -1.26 -3.83 120.40 115.96 1wgk s VAL 70 Ca 0.30 1.53 -0.18 0.00 -1.81 0.00 0.00 61.98 61.81 1wgk s VAL 70 Cb -0.11 -3.98 -0.13 0.00 0.56 0.00 0.00 36.38 32.73 1wgk s VAL 70 CO 0.22 0.17 -0.76 0.54 -0.31 0.00 0.00 175.10 174.97 1wgk n ARG 71 N 3.32 -0.09 0.00 4.82 1.74 -1.26 -4.74 116.66 120.45 1wgk n ARG 71 Ca 0.06 -0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.18 1wgk n ARG 71 Cb 0.46 -1.13 0.31 0.00 -1.02 0.00 0.00 32.46 31.09 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 1.82 0.49 -0.06 5.56 -0.04 -1.26 -2.91 135.00 138.60 1wgk n PRO 72 Ca -0.01 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 -0.19 3.64 0.55 0.00 -1.26 -4.96 105.19 102.94 1wgk n GLY 73 Ca 0.08 -0.08 -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 -2.23 3.73 -0.41 -0.61 -1.09 -1.15 -3.85 121.20 115.60 1wgk s ILE 74 Ca -0.14 0.85 -0.15 0.00 -2.23 0.00 0.00 60.65 58.97 1wgk s ILE 74 Cb 0.04 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1wgk s ILE 74 CO 0.28 -0.21 0.32 -0.76 -1.23 0.00 0.00 174.94 173.34 1wgk s LEU 75 N 4.68 5.04 0.25 2.97 1.43 0.50 -4.71 118.68 128.85 1wgk s LEU 75 Ca 0.70 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1wgk s LEU 75 Cb -0.27 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 1wgk s LEU 75 CO 0.28 -0.46 0.55 0.68 0.23 0.00 0.00 176.35 177.62 1wgk s VAL 76 N 1.76 4.97 -0.13 -1.59 -7.23 -1.26 0.23 120.40 117.15 1wgk s VAL 76 Ca 0.06 0.33 -0.05 0.00 -1.81 0.00 0.00 61.98 60.52 1wgk s VAL 76 Cb -0.19 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.16 1wgk s VAL 76 CO 0.11 -0.15 0.26 -0.76 -0.31 0.00 0.00 175.10 174.25 1wgk s LEU 77 N -3.04 -0.24 -0.20 1.32 1.43 -0.32 -3.79 118.68 113.84 1wgk s LEU 77 Ca 0.46 0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.01 1wgk s LEU 77 Cb -0.11 0.72 -0.04 0.00 0.03 0.00 0.00 46.19 46.79 1wgk s LEU 77 CO 0.24 -0.23 0.33 -0.63 0.23 0.00 0.00 176.35 176.29 1wgk s ILE 78 N 2.31 5.25 -1.51 -0.59 1.01 -1.03 -0.59 121.20 126.05 1wgk s ILE 78 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 60.65 61.06 1wgk s ILE 78 Cb -0.12 -3.67 0.16 0.00 0.01 0.00 0.00 42.46 38.84 1wgk s ILE 78 CO -0.09 0.30 0.57 0.59 0.00 0.00 0.00 174.94 176.32 1wgk n ASN 79 N 4.24 -2.54 -2.65 3.58 5.03 -1.06 -0.21 115.26 121.66 1wgk n ASN 79 Ca -0.10 -0.83 -0.11 0.00 0.87 0.00 0.00 54.58 54.41 1wgk n ASN 79 Cb 0.51 -2.14 0.06 0.00 -1.02 0.00 0.00 39.78 37.19 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 -2.38 -2.58 -3.18 6.41 8.00 -1.26 -5.03 116.55 116.53 1wgk n ASP 80 Ca 0.07 -0.43 0.02 0.00 0.71 0.00 0.00 54.79 55.16 1wgk n ASP 80 Cb 0.48 -3.63 -0.02 0.00 -0.02 0.00 0.00 41.12 37.93 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 -3.25 -2.09 -0.37 2.24 0.00 0.70 -5.11 121.76 113.88 1wgk s ALA 81 Ca 0.05 1.63 -0.34 0.00 0.00 0.00 0.00 51.96 53.31 1wgk s ALA 81 Cb -0.01 -2.13 -0.15 0.00 0.00 0.00 0.00 23.12 20.84 1wgk s ALA 81 CO 0.49 -1.37 1.36 -0.25 0.00 0.00 0.00 175.76 176.00 1wgk n ASP 82 N 5.42 0.76 0.24 0.00 8.00 -1.26 -2.46 116.55 127.25 1wgk n ASP 82 Ca -0.01 0.73 0.11 0.00 0.71 0.00 0.00 54.79 56.33 1wgk n ASP 82 Cb 0.51 -0.66 0.56 0.00 -0.02 0.00 0.00 41.12 41.51 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 4.95 0.00 -0.75 1.24 5.08 -1.91 0.35 115.95 124.92 1wgk h TRP 83 Ca -0.23 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.69 1wgk h TRP 83 Cb 1.04 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.17 1wgk h TRP 83 CO 0.59 0.00 0.25 0.93 -1.28 0.00 0.00 178.44 178.92 1wgk h GLU 84 N 0.00 1.15 -0.03 0.12 4.39 -1.89 0.66 114.58 118.99 1wgk h GLU 84 Ca 0.00 -0.24 -0.23 0.00 0.34 0.00 0.00 59.36 59.22 1wgk h GLU 84 Cb 0.59 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1wgk h GLU 84 CO 0.00 0.98 -0.92 -0.07 -1.16 0.00 0.00 179.01 177.83 1wgk h LEU 85 N 1.11 0.71 0.06 1.33 -0.00 -1.25 -3.38 115.31 113.88 1wgk h LEU 85 Ca 0.24 -0.54 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1wgk h LEU 85 Cb 0.29 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1wgk h LEU 85 CO -0.01 1.33 -0.03 -0.07 -0.00 0.00 0.00 178.44 179.66 1wgk h LEU 86 N 0.33 -0.07 0.00 1.67 3.38 -1.48 -3.48 115.31 115.67 1wgk h LEU 86 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wgk h LEU 86 Cb 1.56 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1wgk h LEU 86 CO 0.17 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1wgk n GLY 87 N 1.40 -1.64 0.00 0.83 0.00 0.21 -4.69 105.19 101.30 1wgk n GLY 87 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 -0.25 1.61 1.02 0.05 -1.55 120.64 121.52 1wgk n GLU 88 Ca 0.00 0.60 0.08 0.00 -0.02 0.00 0.00 57.16 57.83 1wgk n GLU 88 Cb 0.00 -0.96 0.17 0.00 -0.02 0.00 0.00 31.44 30.63 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 -2.08 2.76 -0.02 -4.62 4.77 -1.26 -4.55 117.00 111.99 1wgk n LEU 89 Ca 0.00 -3.23 -0.01 0.00 -0.03 0.00 0.00 56.01 52.74 1wgk n LEU 89 Cb 0.00 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1wgk n LEU 89 CO 0.00 0.83 -0.65 -0.67 -1.33 0.00 0.00 177.39 175.57 1wgk n ASP 90 N -1.22 3.67 -4.67 -1.43 -0.08 -1.10 -4.35 116.55 107.38 1wgk n ASP 90 Ca 0.18 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.04 1wgk n ASP 90 Cb 0.71 0.78 -0.03 0.00 2.34 0.00 0.00 41.12 44.92 1wgk n ASP 90 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1wgk s TYR 91 N -2.19 1.88 -0.50 -0.67 6.14 -0.60 -4.92 117.35 116.50 1wgk s TYR 91 Ca -0.03 0.06 -0.17 0.00 0.64 0.00 0.00 57.07 57.57 1wgk s TYR 91 Cb 0.02 -4.00 0.07 0.00 0.42 0.00 0.00 41.96 38.47 1wgk s TYR 91 CO 0.23 -4.27 0.49 -0.65 0.64 0.00 0.00 175.55 171.99 1wgk s GLN 92 N 3.89 3.03 0.40 4.97 1.11 -1.26 -2.42 119.66 129.38 1wgk s GLN 92 Ca 0.77 -1.23 -0.26 0.00 0.01 0.00 0.00 55.36 54.64 1wgk s GLN 92 Cb -0.37 -4.14 -0.10 0.00 -1.01 0.00 0.00 33.01 27.39 1wgk s GLN 92 CO 0.33 -1.14 1.31 1.28 0.01 0.00 0.00 175.29 177.07 1wgk n LEU 93 N 5.57 4.06 0.00 2.90 4.77 0.46 -4.91 117.00 129.85 1wgk n LEU 93 Ca -0.11 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1wgk n LEU 93 Cb 0.44 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1wgk n LEU 93 CO 0.50 -0.50 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1wgk n GLN 94 N 0.18 0.00 -3.85 3.23 1.13 -1.26 -4.02 117.38 112.78 1wgk n GLN 94 Ca 0.06 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.09 1wgk n GLN 94 Cb 0.39 -0.20 0.01 0.00 0.11 0.00 0.00 30.24 30.55 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 -2.39 -0.03 -0.06 1.08 1.47 -1.26 -4.72 116.67 110.75 1wgk s ASP 95 Ca 0.00 -0.58 -0.01 0.00 1.18 0.00 0.00 52.55 53.14 1wgk s ASP 95 Cb 0.00 0.46 0.01 0.00 -0.34 0.00 0.00 42.92 43.05 1wgk s ASP 95 CO 0.00 -0.91 0.02 0.00 0.68 0.00 0.00 175.17 174.96 1wgk n GLN 96 N -0.66 -2.61 -3.92 2.11 1.13 -0.97 -4.84 117.38 107.62 1wgk n GLN 96 Ca -0.03 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.67 1wgk n GLN 96 Cb 0.60 -3.81 -0.08 0.00 0.11 0.00 0.00 30.24 27.06 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 -1.74 6.05 -0.25 1.08 1.01 -1.26 -4.95 116.67 116.61 1wgk s ASP 97 Ca 0.03 0.28 -0.09 0.00 0.71 0.00 0.00 52.55 53.48 1wgk s ASP 97 Cb -0.02 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 1wgk s ASP 97 CO 0.03 0.29 0.13 -0.55 0.21 0.00 0.00 175.17 175.29 1wgk s SER 98 N -0.31 5.76 -0.17 0.27 0.15 -1.26 -1.88 113.70 116.26 1wgk s SER 98 Ca 0.10 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.66 1wgk s SER 98 Cb -0.12 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1wgk s SER 98 CO 0.01 0.01 0.07 -0.63 1.20 0.00 0.00 173.24 173.91 1wgk s ILE 99 N 1.36 4.90 0.14 6.45 -1.09 0.73 -2.55 121.20 131.14 1wgk s ILE 99 Ca 0.06 -0.00 0.06 0.00 -2.23 0.00 0.00 60.65 58.55 1wgk s ILE 99 Cb -0.15 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 1wgk s ILE 99 CO 0.06 0.50 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.04 1wgk s LEU 100 N 0.05 3.34 -0.11 2.97 2.96 0.24 -0.55 118.68 127.59 1wgk s LEU 100 Ca 0.06 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1wgk s LEU 100 Cb -0.12 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.58 1wgk s LEU 100 CO 0.01 0.13 0.24 -0.36 -1.32 0.00 0.00 176.35 175.05 1wgk s PHE 101 N -1.53 -0.34 -0.04 5.38 0.40 -0.38 -1.18 117.98 120.29 1wgk s PHE 101 Ca 0.26 0.81 0.04 0.00 -0.60 0.00 0.00 56.93 57.45 1wgk s PHE 101 Cb -0.10 0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 1wgk s PHE 101 CO 0.18 -0.26 -0.15 0.42 0.70 0.00 0.00 175.22 176.11 1wgk s ILE 102 N 1.54 2.98 -0.16 0.64 1.09 0.14 -1.99 121.20 125.45 1wgk s ILE 102 Ca -0.07 -0.79 -0.05 0.00 -1.10 0.00 0.00 60.65 58.65 1wgk s ILE 102 Cb -0.11 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.09 1wgk s ILE 102 CO -0.08 0.57 0.00 -0.44 -0.10 0.00 0.00 174.94 174.88 1wgk s SER 103 N -0.80 5.13 -0.01 3.58 0.01 -1.26 -0.37 113.70 119.99 1wgk s SER 103 Ca 0.12 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.37 1wgk s SER 103 Cb -0.11 -1.81 0.03 0.00 0.21 0.00 0.00 66.02 64.34 1wgk s SER 103 CO 0.01 0.20 0.95 1.07 0.41 0.00 0.00 173.24 175.88 1wgk n THR 104 N 3.37 0.95 -3.03 1.44 5.66 -1.25 -4.93 114.28 116.48 1wgk n THR 104 Ca -0.17 -0.99 -0.41 0.00 -3.05 0.00 0.00 64.05 59.43 1wgk n THR 104 Cb 0.52 0.49 -0.06 0.00 -1.55 0.00 0.00 70.33 69.74 1wgk n THR 104 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wgk s LEU 105 N -1.05 4.09 0.07 1.09 2.01 -1.26 -4.94 118.68 118.70 1wgk s LEU 105 Ca 0.03 0.66 -0.09 0.00 0.01 0.00 0.00 54.13 54.75 1wgk s LEU 105 Cb 0.03 -2.95 -0.26 0.00 0.01 0.00 0.00 46.19 43.01 1wgk s LEU 105 CO 0.00 -0.49 1.14 0.45 1.01 0.00 0.00 176.35 178.46 1wgk h HIS 106 N 8.01 0.72 0.00 0.29 3.86 -2.03 -3.50 115.15 122.49 1wgk h HIS 106 Ca -0.25 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.47 1wgk h HIS 106 Cb 1.11 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1wgk h HIS 106 CO 0.76 1.35 0.00 0.41 0.86 0.00 0.00 177.93 181.31 1wgk n GLY 107 N 1.43 -0.38 0.00 2.45 0.00 -1.26 -5.15 105.19 102.28 1wgk n GLY 107 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 5.30 3.53 -0.02 0.00 -1.26 -5.10 105.19 107.64 1wgk n GLY 108 Ca 0.00 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 1.00 6.31 -0.01 1.61 0.01 -1.26 -5.04 113.70 116.33 1wgk s SER 109 Ca 0.00 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 1wgk s SER 109 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1wgk s SER 109 CO 0.00 -0.67 0.10 -0.83 0.41 0.00 0.00 173.24 172.24 1wgk s GLY 110 N 1.91 0.03 1.21 3.44 0.00 -1.26 -5.17 107.32 107.49 1wgk s GLY 110 Ca 0.20 -0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 1wgk s GLY 110 CO 0.17 -0.14 1.11 2.56 0.00 0.00 0.00 173.10 176.80 1wgk s PRO 111 N -0.85 -1.33 -0.86 2.90 0.04 -1.26 -4.97 135.00 128.67 1wgk s PRO 111 Ca -0.09 -0.10 -0.16 0.00 0.04 0.00 0.00 61.00 60.69 1wgk s PRO 111 Cb -0.05 -1.59 0.18 0.00 0.04 0.00 0.00 34.50 33.08 1wgk s PRO 111 CO 0.01 -3.78 0.92 -1.12 0.04 0.00 0.00 177.00 173.07 1wgk s SER 112 N -3.91 6.69 -1.32 6.66 0.01 -1.26 -4.49 113.70 116.09 1wgk s SER 112 Ca 0.71 -2.39 -0.03 0.00 1.31 0.00 0.00 55.95 55.56 1wgk s SER 112 Cb -0.09 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.86 1wgk s SER 112 CO 0.56 -0.79 0.87 -0.24 0.41 0.00 0.00 173.24 174.05 1wgk n SER 113 N 5.12 -2.46 0.00 2.44 2.88 -1.26 -5.39 113.62 114.95 1wgk n SER 113 Ca 0.17 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1wgk n SER 113 Cb 0.48 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 1wgk n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42