#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgk n SER 2 N 0.00 -1.94 -4.29 1.61 2.88 -1.26 -4.93 113.62 105.70 1wgk n SER 2 Ca 0.00 -1.14 -0.28 0.00 -1.33 0.00 0.00 58.87 56.12 1wgk n SER 2 Cb 0.00 -2.19 -0.15 0.00 -0.75 0.00 0.00 64.21 61.12 1wgk n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgk s SER 3 N -3.51 2.79 0.00 -3.46 0.01 -1.26 -5.14 113.70 103.13 1wgk s SER 3 Ca 0.62 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1wgk s SER 3 Cb -0.35 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1wgk s SER 3 CO 0.97 0.22 0.00 0.61 0.41 0.00 0.00 173.24 175.46 1wgk n GLY 4 N 1.96 0.03 3.57 3.44 0.00 -1.26 -4.82 105.19 108.12 1wgk n GLY 4 Ca -0.17 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1wgk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgk s SER 5 N -1.20 5.45 -0.25 1.61 1.04 -1.26 -4.92 113.70 114.17 1wgk s SER 5 Ca 0.00 0.89 -0.24 0.00 0.48 0.00 0.00 55.95 57.08 1wgk s SER 5 Cb 0.00 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.66 1wgk s SER 5 CO 0.00 -2.13 0.68 -0.94 0.98 0.00 0.00 173.24 171.83 1wgk s SER 6 N 7.70 -0.71 1.22 7.02 1.04 -1.26 -5.17 113.70 123.54 1wgk s SER 6 Ca 0.77 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 58.41 1wgk s SER 6 Cb -0.18 1.36 0.31 0.00 0.10 0.00 0.00 66.02 67.61 1wgk s SER 6 CO 0.27 -0.25 0.97 0.61 0.98 0.00 0.00 173.24 175.81 1wgk n GLY 7 N 2.63 -2.29 3.08 7.32 0.00 -1.26 -3.58 105.19 111.09 1wgk n GLY 7 Ca -0.14 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 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 -5.01 -4.70 -0.93 1.61 0.00 -1.26 -4.92 117.12 101.91 1wgk n MET 8 Ca 0.03 0.84 -0.37 0.00 0.00 0.00 0.00 57.70 58.20 1wgk n MET 8 Cb 0.55 -5.68 0.06 0.00 0.00 0.00 0.00 33.22 28.15 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 -3.57 -5.24 -2.87 3.04 0.00 -1.24 -4.84 120.51 105.79 1wgk n ALA 9 Ca -0.10 -1.12 -0.26 0.00 0.00 0.00 0.00 53.44 51.97 1wgk n ALA 9 Cb 0.61 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.07 3.90 0.58 0.00 0.00 -1.26 -4.01 121.76 118.90 1wgk s ALA 10 Ca 0.42 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 1wgk s ALA 10 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1wgk s ALA 10 CO 0.71 0.43 1.12 -1.25 0.00 0.00 0.00 175.76 176.77 1wgk s PRO 11 N -3.43 3.20 -0.17 0.00 0.04 -1.26 -4.10 135.00 129.29 1wgk s PRO 11 Ca 0.36 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1wgk s PRO 11 Cb -0.11 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1wgk s PRO 11 CO 0.29 -0.96 -0.02 -0.51 0.04 0.00 0.00 177.00 175.84 1wgk s LEU 12 N -4.10 3.30 -0.36 -3.56 1.43 0.16 -4.89 118.68 110.67 1wgk s LEU 12 Ca 0.71 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1wgk s LEU 12 Cb -0.23 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1wgk s LEU 12 CO 0.31 0.15 0.21 0.00 0.23 0.00 0.00 176.35 177.25 1wgk s VAL 14 N 1.62 1.92 -0.24 0.00 -7.23 0.22 -2.75 120.40 113.93 1wgk s VAL 14 Ca 0.04 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1wgk s VAL 14 Cb -0.18 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1wgk s VAL 14 CO 0.08 -0.31 0.06 -0.54 -0.31 0.00 0.00 175.10 174.07 1wgk s LYS 15 N -2.88 3.67 -0.14 4.82 1.02 -1.06 -0.67 119.74 124.51 1wgk s LYS 15 Ca 0.18 -0.47 -0.08 0.00 0.02 0.00 0.00 55.97 55.62 1wgk s LYS 15 Cb -0.06 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 1wgk s LYS 15 CO 0.07 -0.14 0.13 0.08 -0.92 0.00 0.00 175.35 174.57 1wgk s VAL 16 N 1.47 5.40 -0.09 3.17 1.01 -0.45 -2.13 120.40 128.78 1wgk s VAL 16 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1wgk s VAL 16 Cb -0.15 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1wgk s VAL 16 CO 0.03 0.56 -0.07 -0.70 0.00 0.00 0.00 175.10 174.92 1wgk s GLU 17 N -0.56 1.36 -0.19 2.72 2.12 -0.97 -0.76 118.70 122.43 1wgk s GLU 17 Ca 0.12 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1wgk s GLU 17 Cb -0.12 -1.36 -0.02 0.00 0.26 0.00 0.00 34.13 32.90 1wgk s GLU 17 CO 0.02 -0.17 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.46 1wgk s PHE 18 N 1.36 2.95 -0.27 5.30 0.08 -1.00 -1.64 117.98 124.76 1wgk s PHE 18 Ca -0.02 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.35 1wgk s PHE 18 Cb -0.14 -2.02 0.08 0.00 -0.57 0.00 0.00 43.02 40.37 1wgk s PHE 18 CO -0.04 -0.34 -0.00 0.20 -0.10 0.00 0.00 175.22 174.94 1wgk s GLY 19 N 0.98 1.34 0.00 4.36 0.00 -1.09 -4.54 107.32 108.38 1wgk s GLY 19 Ca -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1wgk s GLY 19 CO 0.00 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.80 1wgk n GLY 20 N 4.64 0.09 3.53 0.20 0.00 -1.26 -3.84 105.19 108.54 1wgk n GLY 20 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.89 0.51 -0.02 0.00 -1.26 -4.70 105.19 102.60 1wgk n GLY 21 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.35 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 2.97 -1.05 4.61 0.00 -1.88 0.12 119.26 124.03 1wgk h ALA 22 Ca 0.00 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.16 1wgk h ALA 22 Cb 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 1wgk h ALA 22 CO 0.00 -1.32 0.65 1.05 0.00 0.00 0.00 179.25 179.64 1wgk h GLU 23 N 0.06 0.41 -0.76 0.00 4.11 -1.80 0.47 114.58 117.08 1wgk h GLU 23 Ca 0.56 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 60.09 1wgk h GLU 23 Cb 2.12 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.23 1wgk h GLU 23 CO -0.06 0.27 0.50 -0.07 0.07 0.00 0.00 179.01 179.73 1wgk h LEU 24 N 0.43 0.52 0.00 3.06 3.38 -1.07 0.51 115.31 122.13 1wgk h LEU 24 Ca 0.64 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.63 1wgk h LEU 24 Cb 1.51 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1wgk h LEU 24 CO -0.38 0.29 0.00 0.18 0.09 0.00 0.00 178.44 178.62 1wgk n LEU 25 N -4.50 0.00 -3.56 1.67 4.77 0.16 -3.46 117.00 112.09 1wgk n LEU 25 Ca 0.14 0.44 -0.28 0.00 -0.03 0.00 0.00 56.01 56.27 1wgk n LEU 25 Cb 0.42 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1wgk n LEU 25 CO 0.32 -0.20 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.56 1wgk s PHE 26 N -2.88 1.51 -0.50 -1.77 0.40 0.15 -0.93 117.98 113.96 1wgk s PHE 26 Ca 0.10 -2.27 0.00 0.00 -0.60 0.00 0.00 56.93 54.16 1wgk s PHE 26 Cb 0.11 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1wgk s PHE 26 CO 0.28 -0.78 0.00 -0.40 0.70 0.00 0.00 175.22 175.02 1wgk n ASP 27 N 3.27 -2.30 -3.42 1.36 5.75 -1.25 -2.58 116.55 117.38 1wgk n ASP 27 Ca 0.18 0.34 -0.18 0.00 -0.01 0.00 0.00 54.79 55.12 1wgk n ASP 27 Cb 0.40 -2.06 0.00 0.00 -1.03 0.00 0.00 41.12 38.43 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wgk n GLY 28 N -0.60 -0.91 3.06 6.12 0.00 0.21 -4.94 105.19 108.13 1wgk n GLY 28 Ca -0.07 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.66 0.09 -0.01 1.61 1.01 -1.07 -4.83 120.40 114.53 1wgk s VAL 29 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1wgk s VAL 29 Cb -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 1wgk s VAL 29 CO 0.64 -0.40 0.65 0.11 0.00 0.00 0.00 175.10 176.10 1wgk h LYS 30 N 4.47 -0.38 -5.96 2.72 1.57 -1.91 -3.42 116.57 113.66 1wgk h LYS 30 Ca -0.31 0.03 -0.67 0.00 -1.87 0.00 0.00 60.65 57.83 1wgk h LYS 30 Cb 1.20 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.47 1wgk h LYS 30 CO 0.41 -0.25 -0.60 0.15 -0.57 0.00 0.00 179.45 178.59 1wgk s LYS 31 N -2.99 3.03 -0.07 3.15 -0.14 -1.26 -2.39 119.74 119.07 1wgk s LYS 31 Ca -0.06 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1wgk s LYS 31 Cb 0.01 -2.84 0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1wgk s LYS 31 CO 0.17 0.69 -0.02 -1.01 -0.76 0.00 0.00 175.35 174.43 1wgk s HIS 32 N -0.99 0.77 -0.24 3.18 3.76 0.07 -4.99 115.29 116.84 1wgk s HIS 32 Ca 0.16 -0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 1wgk s HIS 32 Cb -0.12 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 32.77 1wgk s HIS 32 CO 0.06 -0.32 1.07 1.14 -0.85 0.00 0.00 174.74 175.84 1wgk s GLN 33 N 1.71 4.22 -0.02 1.40 -2.07 -1.26 -1.34 119.66 122.30 1wgk s GLN 33 Ca 0.02 1.34 0.02 0.00 -1.82 0.00 0.00 55.36 54.92 1wgk s GLN 33 Cb -0.13 -3.67 -0.03 0.00 -1.09 0.00 0.00 33.01 28.09 1wgk s GLN 33 CO -0.04 -0.70 -0.07 0.08 -1.32 0.00 0.00 175.29 173.24 1wgk s VAL 34 N 3.33 3.63 -0.48 3.63 1.01 0.16 -5.00 120.40 126.69 1wgk s VAL 34 Ca 0.46 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1wgk s VAL 34 Cb -0.15 -2.54 0.16 0.00 0.00 0.00 0.00 36.38 33.85 1wgk s VAL 34 CO 0.09 0.47 0.34 0.00 0.00 0.00 0.00 175.10 176.00 1wgk s ALA 35 N -0.92 2.09 0.46 5.51 0.00 -1.26 -0.61 121.76 127.02 1wgk s ALA 35 Ca 0.15 -2.75 -0.25 0.00 0.00 0.00 0.00 51.96 49.12 1wgk s ALA 35 Cb -0.11 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.13 1wgk s ALA 35 CO 0.05 -2.04 1.43 1.28 0.00 0.00 0.00 175.76 176.48 1wgk n LEU 36 N 2.93 5.16 -4.66 0.00 4.77 0.29 -4.73 117.00 120.76 1wgk n LEU 36 Ca 0.21 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 57.01 1wgk n LEU 36 Cb 0.41 -1.60 0.19 0.00 -2.33 0.00 0.00 43.42 40.08 1wgk n LEU 36 CO 0.17 -0.18 0.64 -2.16 -1.33 0.00 0.00 177.39 174.52 1wgk s PRO 37 N -2.48 0.17 -0.17 3.23 0.04 -1.26 0.40 135.00 134.93 1wgk s PRO 37 Ca 0.62 0.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.01 1wgk s PRO 37 Cb -0.45 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1wgk s PRO 37 CO 0.57 -2.89 0.13 0.20 0.04 0.00 0.00 177.00 175.05 1wgk s GLY 38 N -3.49 2.08 0.21 0.56 0.00 -1.26 -4.29 107.32 101.13 1wgk s GLY 38 Ca 0.66 -0.67 -0.19 0.00 0.00 0.00 0.00 44.72 44.52 1wgk s GLY 38 CO 0.58 -0.08 0.58 -0.86 0.00 0.00 0.00 173.10 173.31 1wgk s GLN 39 N -0.22 1.47 0.36 2.90 -2.07 -1.26 -4.51 119.66 116.34 1wgk s GLN 39 Ca 0.11 -0.86 0.07 0.00 -1.82 0.00 0.00 55.36 52.86 1wgk s GLN 39 Cb -0.11 0.55 0.76 0.00 -1.09 0.00 0.00 33.01 33.12 1wgk s GLN 39 CO 0.01 -0.64 1.93 0.93 -1.32 0.00 0.00 175.29 176.20 1wgk h GLU 40 N 2.12 0.72 -5.78 9.60 3.07 -1.93 -3.39 114.58 118.99 1wgk h GLU 40 Ca -0.27 -0.04 -0.59 0.00 -0.50 0.00 0.00 59.36 57.96 1wgk h GLU 40 Cb 1.27 -0.16 -0.08 0.00 -0.84 0.00 0.00 28.75 28.94 1wgk h GLU 40 CO 0.34 0.48 -0.18 -1.21 -1.40 0.00 0.00 179.01 177.03 1wgk s GLU 41 N -5.68 4.22 0.35 2.33 2.02 -1.26 -5.00 118.70 115.68 1wgk s GLU 41 Ca -0.10 0.39 -0.28 0.00 0.02 0.00 0.00 54.97 55.00 1wgk s GLU 41 Cb 0.20 -3.38 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 1wgk s GLU 41 CO 0.78 0.32 1.21 -1.25 0.02 0.00 0.00 175.26 176.34 1wgk s PRO 42 N 0.13 4.30 -0.56 0.39 0.04 -1.26 -4.93 135.00 133.11 1wgk s PRO 42 Ca 0.24 1.99 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 1wgk s PRO 42 Cb -0.15 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1wgk s PRO 42 CO 0.10 -0.16 1.91 -1.58 0.04 0.00 0.00 177.00 177.31 1wgk s TRP 43 N -1.24 1.62 0.29 0.56 0.52 -1.26 -4.91 118.94 114.52 1wgk s TRP 43 Ca 0.51 0.85 0.01 0.00 0.02 0.00 0.00 56.10 57.48 1wgk s TRP 43 Cb -0.35 -4.04 -0.04 0.00 -1.15 0.00 0.00 33.47 27.89 1wgk s TRP 43 CO 0.45 -2.42 0.48 -0.51 0.02 0.00 0.00 176.95 174.97 1wgk s ASP 44 N 8.22 6.33 0.12 2.95 1.01 -1.26 -1.74 116.67 132.30 1wgk s ASP 44 Ca 0.72 0.40 -0.24 0.00 0.71 0.00 0.00 52.55 54.14 1wgk s ASP 44 Cb -0.14 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1wgk s ASP 44 CO 0.23 -0.19 1.27 -0.38 0.21 0.00 0.00 175.17 176.31 1wgk n ILE 45 N -1.40 -0.52 -0.39 0.77 2.08 -1.08 0.18 119.36 119.00 1wgk n ILE 45 Ca -0.05 1.99 0.31 0.00 0.56 0.00 0.00 62.75 65.55 1wgk n ILE 45 Cb 0.56 -2.47 0.59 0.00 -0.75 0.00 0.00 39.64 37.56 1wgk n ILE 45 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 1wgk h ARG 46 N 0.00 0.19 0.03 0.38 0.11 -1.80 0.21 114.38 113.49 1wgk h ARG 46 Ca 0.12 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.12 1wgk h ARG 46 Cb 0.31 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.36 1wgk h ARG 46 CO -0.71 0.13 -0.30 -0.91 0.10 0.00 0.00 179.97 178.27 1wgk h ASN 47 N 0.19 0.21 -0.96 0.08 2.35 0.15 -3.30 115.58 114.31 1wgk h ASN 47 Ca 0.75 -0.88 0.17 0.00 -0.55 0.00 0.00 56.30 55.80 1wgk h ASN 47 Cb 2.15 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 40.37 1wgk h ASN 47 CO -0.43 1.07 0.61 0.25 -1.65 0.00 0.00 177.43 177.27 1wgk h LEU 48 N -0.61 0.70 0.02 1.61 5.85 0.24 -2.57 115.31 120.55 1wgk h LEU 48 Ca -0.05 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1wgk h LEU 48 Cb 1.14 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1wgk h LEU 48 CO 0.06 0.30 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.04 1wgk h LEU 49 N 0.71 -1.05 0.00 2.25 -0.00 -1.08 -1.97 115.31 114.17 1wgk h LEU 49 Ca 0.51 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.51 1wgk h LEU 49 Cb 0.86 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1wgk h LEU 49 CO -0.28 -0.34 0.00 0.52 -0.00 0.00 0.00 178.44 178.34 1wgk n VAL 50 N -4.38 0.00 -0.30 1.22 0.31 -0.97 0.72 118.33 114.93 1wgk n VAL 50 Ca -0.05 1.45 -0.08 0.00 -0.01 0.00 0.00 64.34 65.66 1wgk n VAL 50 Cb 0.26 -1.98 -0.07 0.00 -0.91 0.00 0.00 33.84 31.13 1wgk n VAL 50 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1wgk n TRP 51 N -2.76 -0.31 0.12 3.52 -0.00 -1.18 0.25 117.44 117.09 1wgk n TRP 51 Ca 0.00 0.88 0.13 0.00 -0.00 0.00 0.00 57.50 58.51 1wgk n TRP 51 Cb 0.00 -0.54 0.64 0.00 -0.00 0.00 0.00 31.31 31.41 1wgk n TRP 51 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1wgk h ILE 52 N 0.00 0.89 0.00 5.87 2.04 -0.55 0.31 117.51 126.07 1wgk h ILE 52 Ca 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1wgk h ILE 52 Cb 0.29 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1wgk h ILE 52 CO -0.66 0.01 -0.48 0.29 0.00 0.00 0.00 178.15 177.31 1wgk n LYS 53 N -4.47 0.11 -0.05 2.37 5.02 0.61 0.19 118.16 121.94 1wgk n LYS 53 Ca 0.03 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.31 1wgk n LYS 53 Cb 0.32 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.74 0.32 0.00 1.97 4.76 0.71 -4.52 118.16 119.66 1wgk n LYS 54 Ca 0.05 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1wgk n LYS 54 Cb 0.38 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1wgk n LYS 54 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1wgk n ASN 55 N -3.77 0.00 -0.32 4.39 0.23 0.78 -4.44 115.26 112.13 1wgk n ASN 55 Ca -0.07 0.21 0.10 0.00 -0.53 0.00 0.00 54.58 54.29 1wgk n ASN 55 Cb 0.26 -0.42 0.21 0.00 -2.08 0.00 0.00 39.78 37.76 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 -2.03 -0.19 -4.63 -4.53 7.94 -1.22 -3.97 117.00 108.37 1wgk n LEU 56 Ca 0.00 1.53 -0.43 0.00 -1.11 0.00 0.00 56.01 56.01 1wgk n LEU 56 Cb 0.00 -0.52 -0.02 0.00 0.53 0.00 0.00 43.42 43.41 1wgk n LEU 56 CO 0.00 -1.52 1.17 -0.22 -1.11 0.00 0.00 177.39 175.71 1wgk s LEU 57 N -10.75 3.89 -0.02 -1.96 2.96 0.50 -4.20 118.68 109.11 1wgk s LEU 57 Ca -0.12 1.29 0.22 0.00 -0.22 0.00 0.00 54.13 55.29 1wgk s LEU 57 Cb 0.26 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 43.10 1wgk s LEU 57 CO 0.70 -1.11 0.56 1.17 -1.32 0.00 0.00 176.35 176.35 1wgk n LYS 58 N 7.36 0.58 -2.21 1.98 3.00 -0.11 -4.61 118.16 124.15 1wgk n LYS 58 Ca 0.15 -0.16 -0.11 0.00 -0.00 0.00 0.00 58.31 58.19 1wgk n LYS 58 Cb 0.46 -1.53 0.02 0.00 0.00 0.00 0.00 35.03 33.99 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 -2.18 0.89 -2.11 1.64 1.02 -1.20 -5.06 120.64 113.65 1wgk n GLU 59 Ca -0.03 -1.62 -0.42 0.00 -0.02 0.00 0.00 57.16 55.07 1wgk n GLU 59 Cb 0.54 -0.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.91 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 -3.26 4.28 0.14 3.49 1.81 -1.26 -4.93 118.95 119.23 1wgk s ARG 60 Ca 0.26 2.14 -0.11 0.00 -1.72 0.00 0.00 55.73 56.29 1wgk s ARG 60 Cb -0.02 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.12 1wgk s ARG 60 CO 0.16 -0.52 1.47 -1.00 -0.68 0.00 0.00 175.30 174.74 1wgk h PRO 61 N 7.10 0.95 -0.93 3.54 0.13 -1.90 -3.05 132.00 137.84 1wgk h PRO 61 Ca -0.42 -0.50 0.27 0.00 -0.87 0.00 0.00 66.00 64.48 1wgk h PRO 61 Cb 1.20 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1wgk h PRO 61 CO 0.89 1.16 0.84 1.05 -0.23 0.00 0.00 178.00 181.71 1wgk h GLU 62 N 0.77 0.00 0.22 0.86 4.11 -1.91 0.78 114.58 119.42 1wgk h GLU 62 Ca 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.16 1wgk h GLU 62 Cb 0.99 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.26 1wgk h GLU 62 CO 0.10 0.00 -1.49 -0.07 0.07 0.00 0.00 179.01 177.62 1wgk h LEU 63 N 0.00 0.73 0.00 3.06 -0.00 -1.94 -3.42 115.31 113.74 1wgk h LEU 63 Ca 0.44 -0.83 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1wgk h LEU 63 Cb 2.12 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.55 1wgk h LEU 63 CO -0.00 1.66 0.00 0.33 -0.00 0.00 0.00 178.44 180.42 1wgk n PHE 64 N -3.66 0.00 -4.62 1.13 7.35 0.21 -4.97 117.46 112.90 1wgk n PHE 64 Ca -0.17 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.25 1wgk n PHE 64 Cb 1.09 -0.22 -0.14 0.00 0.35 0.00 0.00 39.48 40.56 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 -0.91 1.97 -0.23 -2.13 1.01 0.21 -4.31 121.20 116.81 1wgk s ILE 65 Ca 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.22 1wgk s ILE 65 Cb 0.00 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.80 1wgk s ILE 65 CO 0.00 0.19 -0.09 -1.58 0.00 0.00 0.00 174.94 173.46 1wgk s GLN 66 N -1.52 1.95 0.12 2.79 2.00 -1.25 -3.22 119.66 120.53 1wgk s GLN 66 Ca 0.10 -1.05 0.00 0.00 -2.00 0.00 0.00 55.36 52.41 1wgk s GLN 66 Cb -0.10 -2.63 0.00 0.00 0.80 0.00 0.00 33.01 31.08 1wgk s GLN 66 CO 0.03 -0.53 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 1wgk n GLY 67 N 4.60 -3.06 0.13 2.59 0.00 -1.26 -4.29 105.19 103.90 1wgk n GLY 67 Ca -0.14 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.17 0.51 -4.71 1.61 9.92 -1.26 -4.66 116.55 117.79 1wgk n ASP 68 Ca 0.00 0.69 -0.23 0.00 -0.53 0.00 0.00 54.79 54.72 1wgk n ASP 68 Cb 0.00 -0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 39.64 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 -3.94 4.73 0.25 -2.24 1.04 -1.26 -4.57 113.70 107.71 1wgk s SER 69 Ca 0.00 -0.65 -0.30 0.00 0.48 0.00 0.00 55.95 55.49 1wgk s SER 69 Cb 0.07 -0.87 -0.09 0.00 0.10 0.00 0.00 66.02 65.23 1wgk s SER 69 CO 0.24 -0.13 1.06 0.68 0.98 0.00 0.00 173.24 176.07 1wgk s VAL 70 N -2.34 3.70 1.00 5.02 -7.23 -1.26 -3.78 120.40 115.51 1wgk s VAL 70 Ca 0.34 1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 62.00 1wgk s VAL 70 Cb -0.05 -4.06 -0.06 0.00 0.56 0.00 0.00 36.38 32.77 1wgk s VAL 70 CO 0.22 0.37 -0.43 0.54 -0.31 0.00 0.00 175.10 175.49 1wgk n ARG 71 N 1.51 -0.33 0.00 4.82 1.74 -1.26 -4.76 116.66 118.38 1wgk n ARG 71 Ca -0.01 -0.08 0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1wgk n ARG 71 Cb 0.46 -1.37 0.26 0.00 -1.02 0.00 0.00 32.46 30.78 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 0.51 0.49 -0.02 5.56 -0.04 -1.26 -2.93 135.00 137.31 1wgk n PRO 72 Ca 0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.45 1wgk n PRO 72 Cb 0.59 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.09 3.61 0.55 0.00 -1.26 -4.98 105.19 103.01 1wgk n GLY 73 Ca 0.06 -0.03 -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 -2.08 3.38 -0.39 -0.61 -1.09 -1.15 -4.29 121.20 114.97 1wgk s ILE 74 Ca -0.04 0.40 -0.19 0.00 -2.23 0.00 0.00 60.65 58.59 1wgk s ILE 74 Cb 0.01 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1wgk s ILE 74 CO 0.11 -0.26 0.53 -0.76 -1.23 0.00 0.00 174.94 173.32 1wgk s LEU 75 N 6.74 4.49 0.29 2.97 1.43 0.80 -4.70 118.68 130.69 1wgk s LEU 75 Ca 0.84 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1wgk s LEU 75 Cb -0.27 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1wgk s LEU 75 CO 0.34 -0.57 0.45 0.68 0.23 0.00 0.00 176.35 177.47 1wgk s VAL 76 N 2.45 5.18 -0.15 -1.59 -7.23 -1.26 0.17 120.40 117.97 1wgk s VAL 76 Ca 0.18 -0.67 -0.07 0.00 -1.81 0.00 0.00 61.98 59.62 1wgk s VAL 76 Cb -0.15 -3.85 0.07 0.00 0.56 0.00 0.00 36.38 33.00 1wgk s VAL 76 CO 0.15 -0.42 0.34 -0.76 -0.31 0.00 0.00 175.10 174.09 1wgk s LEU 77 N -4.07 -0.18 -0.32 1.32 1.43 0.63 -4.00 118.68 113.49 1wgk s LEU 77 Ca 0.37 0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1wgk s LEU 77 Cb -0.09 1.04 -0.02 0.00 0.03 0.00 0.00 46.19 47.14 1wgk s LEU 77 CO 0.32 -0.21 0.32 -0.63 0.23 0.00 0.00 176.35 176.39 1wgk s ILE 78 N 1.96 5.20 -1.51 -0.59 1.01 -0.02 -1.06 121.20 126.19 1wgk s ILE 78 Ca -0.05 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1wgk s ILE 78 Cb -0.11 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.67 1wgk s ILE 78 CO -0.11 -0.01 0.62 0.59 0.00 0.00 0.00 174.94 176.04 1wgk n ASN 79 N 5.29 -1.88 -3.07 3.58 3.02 0.21 -1.11 115.26 121.31 1wgk n ASN 79 Ca -0.10 -0.97 -0.16 0.00 -0.03 0.00 0.00 54.58 53.32 1wgk n ASN 79 Cb 0.50 -3.11 0.07 0.00 -0.61 0.00 0.00 39.78 36.63 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 -3.01 -3.66 6.41 9.92 -1.26 -5.02 116.55 117.06 1wgk n ASP 80 Ca -0.14 -0.51 -0.07 0.00 -0.53 0.00 0.00 54.79 53.54 1wgk n ASP 80 Cb 0.60 -4.39 -0.08 0.00 -0.64 0.00 0.00 41.12 36.61 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 -3.30 -1.56 -0.13 2.24 0.00 -0.26 -5.12 121.76 113.62 1wgk s ALA 81 Ca 0.13 1.99 -0.40 0.00 0.00 0.00 0.00 51.96 53.68 1wgk s ALA 81 Cb -0.06 -1.37 -0.18 0.00 0.00 0.00 0.00 23.12 21.52 1wgk s ALA 81 CO 0.62 -0.56 1.41 -0.25 0.00 0.00 0.00 175.76 176.98 1wgk n ASP 82 N 4.80 1.29 0.26 0.00 8.00 -1.26 -0.84 116.55 128.81 1wgk n ASP 82 Ca -0.16 1.13 0.14 0.00 0.71 0.00 0.00 54.79 56.61 1wgk n ASP 82 Cb 0.54 -1.05 0.70 0.00 -0.02 0.00 0.00 41.12 41.29 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 4.85 0.00 -0.10 1.24 5.08 -1.92 -2.55 115.95 122.55 1wgk h TRP 83 Ca -0.48 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.35 1wgk h TRP 83 Cb 1.36 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.51 1wgk h TRP 83 CO 0.64 0.11 -0.56 0.93 -1.28 0.00 0.00 178.44 178.28 1wgk h GLU 84 N 0.00 0.31 -0.49 0.12 5.08 -1.88 0.28 114.58 118.00 1wgk h GLU 84 Ca -0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1wgk h GLU 84 Cb 0.46 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wgk h GLU 84 CO 0.01 0.78 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.59 1wgk h LEU 85 N 0.23 0.95 0.00 1.33 4.07 -1.82 -3.37 115.31 116.70 1wgk h LEU 85 Ca 0.00 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1wgk h LEU 85 Cb 1.05 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1wgk h LEU 85 CO 0.09 1.09 -0.13 -0.07 -1.08 0.00 0.00 178.44 178.34 1wgk h LEU 86 N 0.83 0.00 -5.25 1.67 3.38 -1.53 -3.49 115.31 110.91 1wgk h LEU 86 Ca 0.12 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.28 1wgk h LEU 86 Cb 0.70 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.28 1wgk h LEU 86 CO 0.05 0.25 -0.02 -0.83 0.09 0.00 0.00 178.44 177.98 1wgk s GLY 87 N -2.96 -1.44 0.15 0.83 0.00 0.79 -4.75 107.32 99.94 1wgk s GLY 87 Ca -0.04 1.67 -0.16 0.00 0.00 0.00 0.00 44.72 46.19 1wgk s GLY 87 CO 0.05 4.39 1.12 1.18 0.00 0.00 0.00 173.10 179.84 1wgk n GLU 88 N 3.86 -0.22 0.00 2.90 1.02 -0.02 -0.98 120.64 127.20 1wgk n GLU 88 Ca 0.06 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 1wgk n GLU 88 Cb 0.63 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 -5.00 0.00 0.13 -4.62 4.77 -1.26 -4.56 117.00 106.46 1wgk n LEU 89 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1wgk n LEU 89 Cb 0.25 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.84 1wgk n LEU 89 CO -0.10 0.00 0.85 0.47 -1.33 0.00 0.00 177.39 177.27 1wgk n ASP 90 N -1.93 0.65 -4.71 -1.43 8.00 -1.21 -4.35 116.55 111.57 1wgk n ASP 90 Ca 0.00 0.68 -0.42 0.00 0.71 0.00 0.00 54.79 55.76 1wgk n ASP 90 Cb 0.45 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.35 3.63 -0.26 1.24 5.04 -0.15 -4.93 117.35 118.57 1wgk s TYR 91 Ca 0.03 1.63 -0.09 0.00 -2.44 0.00 0.00 57.07 56.20 1wgk s TYR 91 Cb 0.09 -3.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 1wgk s TYR 91 CO 0.36 -0.24 0.14 -0.65 -1.34 0.00 0.00 175.55 173.82 1wgk s GLN 92 N 0.95 3.86 0.12 4.97 1.11 -1.26 -2.64 119.66 126.77 1wgk s GLN 92 Ca 0.53 -0.37 -0.31 0.00 0.01 0.00 0.00 55.36 55.22 1wgk s GLN 92 Cb -0.23 -3.51 -0.08 0.00 -1.01 0.00 0.00 33.01 28.18 1wgk s GLN 92 CO 0.28 -0.14 1.44 -0.51 0.01 0.00 0.00 175.29 176.38 1wgk s LEU 93 N 1.57 4.37 0.00 2.90 1.43 -0.71 -4.96 118.68 123.28 1wgk s LEU 93 Ca 0.07 2.40 -0.04 0.00 -1.03 0.00 0.00 54.13 55.52 1wgk s LEU 93 Cb -0.15 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.57 1wgk s LEU 93 CO 0.07 -0.70 0.59 0.00 0.23 0.00 0.00 176.35 176.54 1wgk n GLN 94 N 4.01 -0.21 -3.01 1.70 1.13 -1.26 -4.48 117.38 115.25 1wgk n GLN 94 Ca 0.12 -1.21 -0.40 0.00 -1.94 0.00 0.00 57.00 53.58 1wgk n GLN 94 Cb 0.41 -0.52 -0.05 0.00 0.11 0.00 0.00 30.24 30.19 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 -3.27 7.25 -0.95 1.08 1.47 -1.26 -4.01 116.67 116.99 1wgk s ASP 95 Ca 0.36 1.49 -0.02 0.00 1.18 0.00 0.00 52.55 55.56 1wgk s ASP 95 Cb -0.01 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 40.10 1wgk s ASP 95 CO 0.25 0.11 0.80 0.00 0.68 0.00 0.00 175.17 177.00 1wgk n GLN 96 N 2.31 -5.31 -3.94 2.11 1.13 -1.11 -4.98 117.38 107.58 1wgk n GLN 96 Ca -0.04 0.65 -0.21 0.00 -1.94 0.00 0.00 57.00 55.45 1wgk n GLN 96 Cb 0.50 -5.08 -0.04 0.00 0.11 0.00 0.00 30.24 25.73 1wgk n GLN 96 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wgk s ASP 97 N -3.86 5.43 -0.14 1.08 1.47 -1.25 -4.99 116.67 114.42 1wgk s ASP 97 Ca 0.10 -0.36 0.02 0.00 1.18 0.00 0.00 52.55 53.48 1wgk s ASP 97 Cb -0.05 -1.19 -0.00 0.00 -0.34 0.00 0.00 42.92 41.34 1wgk s ASP 97 CO 0.56 -0.21 -0.18 -0.55 0.68 0.00 0.00 175.17 175.47 1wgk s SER 98 N -3.93 3.46 0.00 2.11 0.15 -1.26 -2.55 113.70 111.67 1wgk s SER 98 Ca 0.37 -0.50 0.08 0.00 0.70 0.00 0.00 55.95 56.60 1wgk s SER 98 Cb -0.07 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1wgk s SER 98 CO 0.26 0.11 -0.25 -0.63 1.20 0.00 0.00 173.24 173.93 1wgk s ILE 99 N 0.65 2.01 -0.00 6.45 -1.09 -0.90 -0.62 121.20 127.69 1wgk s ILE 99 Ca -0.09 -1.17 0.05 0.00 -2.23 0.00 0.00 60.65 57.21 1wgk s ILE 99 Cb -0.16 -1.68 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1wgk s ILE 99 CO 0.02 0.48 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.83 1wgk s LEU 100 N -0.81 2.06 -0.06 2.97 2.96 -0.22 -2.29 118.68 123.28 1wgk s LEU 100 Ca 0.10 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1wgk s LEU 100 Cb -0.10 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.78 1wgk s LEU 100 CO 0.00 0.18 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.71 1wgk s PHE 101 N -0.46 1.52 -0.10 5.38 0.40 -0.65 -0.27 117.98 123.80 1wgk s PHE 101 Ca 0.06 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1wgk s PHE 101 Cb -0.07 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 1wgk s PHE 101 CO -0.00 -0.24 -0.19 0.42 0.70 0.00 0.00 175.22 175.91 1wgk s ILE 102 N 0.46 2.55 -0.30 0.64 -1.09 0.13 -2.67 121.20 120.92 1wgk s ILE 102 Ca -0.11 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.44 1wgk s ILE 102 Cb -0.14 -2.01 0.06 0.00 -1.58 0.00 0.00 42.46 38.79 1wgk s ILE 102 CO 0.03 0.55 -0.01 -0.55 -1.23 0.00 0.00 174.94 173.74 1wgk s SER 103 N 0.10 4.82 -0.12 3.58 0.15 -1.25 -0.14 113.70 120.83 1wgk s SER 103 Ca -0.09 -1.37 -0.00 0.00 0.70 0.00 0.00 55.95 55.19 1wgk s SER 103 Cb -0.15 -1.68 -0.08 0.00 -1.71 0.00 0.00 66.02 62.40 1wgk s SER 103 CO 0.06 -0.27 -0.11 1.07 1.20 0.00 0.00 173.24 175.19 1wgk n THR 104 N 4.57 0.69 -1.47 6.45 5.66 -1.26 -4.72 114.28 124.20 1wgk n THR 104 Ca -0.12 -0.25 -0.59 0.00 -3.05 0.00 0.00 64.05 60.04 1wgk n THR 104 Cb 0.43 -1.03 -0.10 0.00 -1.55 0.00 0.00 70.33 68.08 1wgk n THR 104 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1wgk n LEU 105 N -2.95 1.48 -4.59 1.09 0.00 -1.26 -4.83 117.00 105.93 1wgk n LEU 105 Ca -0.22 0.77 -0.42 0.00 0.00 0.00 0.00 56.01 56.14 1wgk n LEU 105 Cb 0.72 -1.03 -0.02 0.00 0.00 0.00 0.00 43.42 43.08 1wgk n LEU 105 CO 0.11 -0.71 1.21 -1.38 0.00 0.00 0.00 177.39 176.62 1wgk s HIS 106 N 5.38 2.42 0.00 1.96 -3.43 -1.26 -4.98 115.29 115.39 1wgk s HIS 106 Ca 1.11 0.61 0.00 0.00 -0.80 0.00 0.00 55.06 55.98 1wgk s HIS 106 Cb -1.26 -4.36 0.00 0.00 -1.43 0.00 0.00 32.58 25.52 1wgk s HIS 106 CO 0.64 -1.87 0.00 0.41 -2.00 0.00 0.00 174.74 171.93 1wgk n GLY 107 N 5.11 -1.40 3.60 -1.38 0.00 -1.26 -5.06 105.19 104.80 1wgk n GLY 107 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1wgk n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgk s GLY 108 N 0.00 -0.24 -0.20 -0.02 0.00 -1.26 -5.08 107.32 100.52 1wgk s GLY 108 Ca 0.00 2.26 -0.16 0.00 0.00 0.00 0.00 44.72 46.83 1wgk s GLY 108 CO 0.00 1.40 -0.25 -1.26 0.00 0.00 0.00 173.10 172.99 1wgk n SER 109 N 1.44 1.91 0.00 1.64 2.88 -1.26 -5.13 113.62 115.09 1wgk n SER 109 Ca -0.12 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wgk n SER 109 Cb 0.57 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 1.44 2.67 0.00 0.46 0.00 -1.26 -4.82 105.19 103.68 1wgk n GLY 110 Ca -0.24 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.54 0.32 -3.80 1.61 -0.04 -1.26 -4.65 135.00 125.64 1wgk n PRO 111 Ca 0.00 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1wgk n PRO 111 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1wgk n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgk s SER 112 N -2.34 -0.16 -0.11 3.54 0.15 -1.26 -5.14 113.70 108.37 1wgk s SER 112 Ca 0.18 0.32 -0.20 0.00 0.70 0.00 0.00 55.95 56.95 1wgk s SER 112 Cb 0.10 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1wgk s SER 112 CO 0.21 -0.08 0.54 -0.44 1.20 0.00 0.00 173.24 174.67 1wgk s SER 113 N 0.34 6.75 0.00 5.45 0.01 -1.26 -5.05 113.70 119.94 1wgk s SER 113 Ca -0.02 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1wgk s SER 113 Cb -0.03 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1wgk s SER 113 CO -0.01 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.19