#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgo s SER 2 N 0.00 -0.05 0.24 1.61 0.01 -1.26 -5.19 113.70 109.05 1wgo s SER 2 Ca 0.00 -0.69 -0.21 0.00 1.31 0.00 0.00 55.95 56.35 1wgo s SER 2 Cb 0.00 0.57 0.06 0.00 0.21 0.00 0.00 66.02 66.87 1wgo s SER 2 CO 0.00 -1.12 0.92 -0.94 0.41 0.00 0.00 173.24 172.51 1wgo s SER 3 N -3.20 -0.08 0.00 2.44 1.04 -1.26 -5.18 113.70 107.46 1wgo s SER 3 Ca 0.18 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wgo s SER 3 Cb -0.03 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1wgo s SER 3 CO 0.06 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1wgo n GLY 4 N -0.56 2.60 3.61 7.32 0.00 -1.26 -5.17 105.19 111.72 1wgo n GLY 4 Ca -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wgo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgo s SER 5 N 0.00 -0.37 -0.30 1.61 1.04 -1.26 -5.16 113.70 109.26 1wgo s SER 5 Ca 0.00 0.58 -0.16 0.00 0.48 0.00 0.00 55.95 56.85 1wgo s SER 5 Cb 0.00 1.19 0.16 0.00 0.10 0.00 0.00 66.02 67.47 1wgo s SER 5 CO 0.00 -0.09 1.02 -0.44 0.98 0.00 0.00 173.24 174.71 1wgo s SER 6 N 1.37 -0.49 0.00 7.02 0.01 -1.26 -5.14 113.70 115.21 1wgo s SER 6 Ca -0.08 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1wgo s SER 6 Cb -0.03 1.45 0.00 0.00 0.21 0.00 0.00 66.02 67.65 1wgo s SER 6 CO -0.14 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1wgo n GLY 7 N 4.48 -0.45 3.69 3.44 0.00 -1.26 -5.16 105.19 109.93 1wgo n GLY 7 Ca -0.12 0.80 -0.35 0.00 0.00 0.00 0.00 46.02 46.35 1wgo n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgo s GLU 9 N -0.71 1.07 0.00 0.00 2.02 -1.26 -5.16 118.70 114.66 1wgo s GLU 9 Ca 0.11 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1wgo s GLU 9 Cb -0.12 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.55 1wgo s GLU 9 CO 0.02 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1wgo n GLY 10 N -0.20 3.68 3.57 -1.39 0.00 -1.26 -5.17 105.19 104.42 1wgo n GLY 10 Ca -0.14 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1wgo n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgo s GLY 11 N 0.00 -0.28 -0.02 -0.02 0.00 -1.26 -5.17 107.32 100.57 1wgo s GLY 11 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.51 1wgo s GLY 11 CO 0.00 0.78 -0.00 0.14 0.00 0.00 0.00 173.10 174.01 1wgo s VAL 12 N -1.83 0.13 0.36 1.40 1.01 -1.26 -5.16 120.40 115.05 1wgo s VAL 12 Ca 0.03 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1wgo s VAL 12 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1wgo s VAL 12 CO -0.03 0.10 0.41 -1.81 0.00 0.00 0.00 175.10 173.76 1wgo s ASP 13 N 0.60 5.55 -0.67 3.32 1.11 -1.26 -5.02 116.67 120.30 1wgo s ASP 13 Ca -0.06 -0.41 -0.02 0.00 0.18 0.00 0.00 52.55 52.24 1wgo s ASP 13 Cb -0.08 -0.96 0.36 0.00 1.07 0.00 0.00 42.92 43.30 1wgo s ASP 13 CO -0.01 -0.48 2.09 0.23 1.18 0.00 0.00 175.17 178.18 1wgo n MET 14 N -1.56 2.59 -0.03 8.23 2.81 -1.26 -4.58 117.12 123.32 1wgo n MET 14 Ca 0.01 -3.09 -0.12 0.00 -1.81 0.00 0.00 57.70 52.68 1wgo n MET 14 Cb 0.59 -2.20 -0.10 0.00 -0.71 0.00 0.00 33.22 30.80 1wgo n MET 14 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 1wgo h GLN 15 N 2.32 -0.04 -5.49 0.03 3.07 -2.06 -3.42 115.11 109.52 1wgo h GLN 15 Ca 0.55 0.00 -0.65 0.00 0.09 0.00 0.00 58.65 58.64 1wgo h GLN 15 Cb 0.58 0.01 -0.15 0.00 0.08 0.00 0.00 27.48 28.00 1wgo h GLN 15 CO 1.40 0.65 0.22 -0.65 0.09 0.00 0.00 178.83 180.54 1wgo s GLN 16 N -3.07 3.29 -0.20 0.06 -1.52 -1.26 -4.90 119.66 112.06 1wgo s GLN 16 Ca -0.16 -0.36 -0.16 0.00 -1.95 0.00 0.00 55.36 52.73 1wgo s GLN 16 Cb -0.01 -3.98 -0.10 0.00 -0.22 0.00 0.00 33.01 28.70 1wgo s GLN 16 CO 0.62 -1.12 -0.17 0.43 -0.25 0.00 0.00 175.29 174.79 1wgo n SER 17 N 6.50 1.89 -3.63 5.90 7.64 -1.26 -5.07 113.62 125.59 1wgo n SER 17 Ca -0.01 0.43 -0.10 0.00 1.01 0.00 0.00 58.87 60.20 1wgo n SER 17 Cb 0.48 -0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 1wgo n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgo s GLN 18 N -2.51 1.37 0.14 1.43 -2.07 -1.26 -5.18 119.66 111.58 1wgo s GLN 18 Ca -0.28 -0.73 0.04 0.00 -1.82 0.00 0.00 55.36 52.58 1wgo s GLN 18 Cb 0.07 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.50 1wgo s GLN 18 CO 0.43 -0.59 -0.10 0.54 -1.32 0.00 0.00 175.29 174.25 1wgo s VAL 19 N -3.83 1.11 -0.18 3.63 0.11 -1.26 -5.16 120.40 114.83 1wgo s VAL 19 Ca 0.06 -2.05 -0.28 0.00 -2.93 0.00 0.00 61.98 56.79 1wgo s VAL 19 Cb -0.01 -1.83 0.07 0.00 -1.53 0.00 0.00 36.38 33.08 1wgo s VAL 19 CO -0.06 -0.76 0.71 -1.58 -3.33 0.00 0.00 175.10 170.08 1wgo s GLN 20 N -3.75 0.92 -0.14 1.54 2.00 -1.26 -5.17 119.66 113.80 1wgo s GLN 20 Ca 0.16 0.67 -0.12 0.00 -2.00 0.00 0.00 55.36 54.07 1wgo s GLN 20 Cb 0.03 0.44 0.04 0.00 0.80 0.00 0.00 33.01 34.32 1wgo s GLN 20 CO -0.00 -0.20 0.37 -1.17 -0.50 0.00 0.00 175.29 173.79 1wgo s LEU 21 N -0.31 0.45 0.11 3.68 0.20 -1.26 -5.17 118.68 116.38 1wgo s LEU 21 Ca -0.05 0.77 0.07 0.00 0.69 0.00 0.00 54.13 55.61 1wgo s LEU 21 Cb -0.03 1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 46.96 1wgo s LEU 21 CO 0.05 -0.14 -0.10 -1.58 -0.29 0.00 0.00 176.35 174.28 1wgo s GLN 22 N 0.46 2.11 0.16 1.98 0.74 -1.26 -5.14 119.66 118.72 1wgo s GLN 22 Ca -0.02 -1.04 0.08 0.00 0.05 0.00 0.00 55.36 54.42 1wgo s GLN 22 Cb -0.04 -2.29 -0.04 0.00 1.10 0.00 0.00 33.01 31.74 1wgo s GLN 22 CO -0.02 0.50 -0.17 0.00 -0.55 0.00 0.00 175.29 175.05 1wgo n PRO 24 N 0.26 -2.10 -3.05 0.00 -0.04 -1.26 -5.05 135.00 123.76 1wgo n PRO 24 Ca -0.13 -0.88 -0.25 0.00 -0.04 0.00 0.00 63.50 62.21 1wgo n PRO 24 Cb 0.57 -0.82 -0.00 0.00 -0.04 0.00 0.00 33.50 33.21 1wgo n PRO 24 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wgo s LEU 25 N 0.00 3.80 0.23 1.53 2.34 -1.26 -5.11 118.68 120.21 1wgo s LEU 25 Ca 0.36 0.57 0.10 0.00 0.06 0.00 0.00 54.13 55.21 1wgo s LEU 25 Cb -0.04 -3.46 -0.04 0.00 -0.56 0.00 0.00 46.19 42.09 1wgo s LEU 25 CO 0.27 -0.49 -0.11 0.42 -1.06 0.00 0.00 176.35 175.39 1wgo s THR 26 N -2.51 3.01 0.79 5.48 -4.23 -1.26 -5.03 115.64 111.89 1wgo s THR 26 Ca 0.44 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1wgo s THR 26 Cb -0.10 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.26 1wgo s THR 26 CO 0.39 -0.26 1.09 -2.16 -0.54 0.00 0.00 174.62 173.14 1wgo s PRO 27 N -3.23 2.11 -0.63 3.99 0.04 -1.26 -4.71 135.00 131.31 1wgo s PRO 27 Ca 0.28 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.18 1wgo s PRO 27 Cb -0.07 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1wgo s PRO 27 CO 0.16 -1.73 1.87 -1.25 0.04 0.00 0.00 177.00 176.09 1wgo s PRO 28 N -4.91 2.62 0.11 0.56 0.04 -1.26 -4.79 135.00 127.37 1wgo s PRO 28 Ca 0.61 0.55 0.08 0.00 0.04 0.00 0.00 61.00 62.29 1wgo s PRO 28 Cb -0.17 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 1wgo s PRO 28 CO 0.56 -2.78 -0.13 0.50 0.04 0.00 0.00 177.00 175.20 1wgo s ARG 29 N 7.05 2.01 -0.14 4.56 3.52 -1.26 -4.51 118.95 130.18 1wgo s ARG 29 Ca 0.67 -1.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1wgo s ARG 29 Cb -0.12 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1wgo s ARG 29 CO 0.19 0.49 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 1wgo n GLY 30 N 0.69 0.31 3.59 8.12 0.00 -1.26 -2.80 105.19 113.84 1wgo n GLY 30 Ca -0.14 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1wgo n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wgo s LEU 31 N -0.49 4.16 -0.17 0.99 1.98 -1.26 -3.92 118.68 119.96 1wgo s LEU 31 Ca 0.00 0.34 -0.22 0.00 -2.89 0.00 0.00 54.13 51.36 1wgo s LEU 31 Cb -0.00 -2.94 0.06 0.00 0.66 0.00 0.00 46.19 43.97 1wgo s LEU 31 CO 0.00 -0.65 0.59 0.00 -1.89 0.00 0.00 176.35 174.41 1wgo s GLN 32 N 2.91 0.77 -0.01 1.98 -2.07 -1.26 -4.50 119.66 117.47 1wgo s GLN 32 Ca 0.29 0.64 -0.04 0.00 -1.82 0.00 0.00 55.36 54.42 1wgo s GLN 32 Cb -0.14 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1wgo s GLN 32 CO 0.15 -0.14 0.21 0.14 -1.32 0.00 0.00 175.29 174.33 1wgo s VAL 33 N -0.11 5.39 0.04 3.63 -7.23 -1.26 -4.17 120.40 116.69 1wgo s VAL 33 Ca -0.03 -0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1wgo s VAL 33 Cb -0.03 -3.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 1wgo s VAL 33 CO 0.03 0.35 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.67 1wgo s SER 34 N -1.81 0.72 -0.11 4.85 0.01 -0.80 -4.89 113.70 111.68 1wgo s SER 34 Ca 0.27 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 1wgo s SER 34 Cb -0.13 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 1wgo s SER 34 CO 0.17 -0.25 0.71 -0.63 0.41 0.00 0.00 173.24 173.66 1wgo s ILE 35 N -1.56 5.01 -0.95 1.44 1.01 -1.26 0.57 121.20 125.46 1wgo s ILE 35 Ca -0.10 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 61.77 1wgo s ILE 35 Cb -0.09 -4.04 -0.25 0.00 0.01 0.00 0.00 42.46 38.09 1wgo s ILE 35 CO -0.00 0.19 2.46 1.67 0.00 0.00 0.00 174.94 179.25 1wgo n GLN 36 N 4.26 0.11 0.00 2.79 -0.06 -0.81 -4.16 117.38 119.50 1wgo n GLN 36 Ca -0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.95 1wgo n GLN 36 Cb 0.51 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 1wgo n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wgo n GLY 37 N 6.11 -1.57 3.53 1.69 0.00 -1.26 -4.85 105.19 108.85 1wgo n GLY 37 Ca 0.63 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 1wgo n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wgo n GLU 38 N 0.46 1.40 -3.95 1.61 0.28 -1.26 -4.94 120.64 114.24 1wgo n GLU 38 Ca 0.00 0.33 -0.22 0.00 -0.16 0.00 0.00 57.16 57.11 1wgo n GLU 38 Cb 0.00 -2.92 -0.05 0.00 1.43 0.00 0.00 31.44 29.90 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wgo s ALA 39 N 8.69 3.68 0.20 -1.84 0.00 -1.26 -5.06 121.76 126.17 1wgo s ALA 39 Ca 1.05 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1wgo s ALA 39 Cb -0.53 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1wgo s ALA 39 CO 0.39 0.05 0.00 0.28 0.00 0.00 0.00 175.76 176.48 1wgo n VAL 40 N -1.27 0.37 -3.74 0.00 0.31 -1.26 -5.07 118.33 107.67 1wgo n VAL 40 Ca -0.03 0.12 -0.26 0.00 -0.01 0.00 0.00 64.34 64.16 1wgo n VAL 40 Cb 0.60 -0.87 -0.17 0.00 -0.91 0.00 0.00 33.84 32.49 1wgo n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgo s ALA 41 N -2.00 0.88 0.17 3.52 0.00 -1.26 -4.64 121.76 118.43 1wgo s ALA 41 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.51 1wgo s ALA 41 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1wgo s ALA 41 CO 0.00 -0.96 0.13 0.08 0.00 0.00 0.00 175.76 175.01 1wgo s VAL 42 N 1.91 4.43 0.47 0.00 1.01 -1.00 -4.91 120.40 122.31 1wgo s VAL 42 Ca 0.01 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 1wgo s VAL 42 Cb -0.16 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1wgo s VAL 42 CO -0.07 -0.12 0.82 -0.13 0.00 0.00 0.00 175.10 175.60 1wgo s ARG 43 N -3.11 3.66 0.70 2.72 1.81 -1.26 -1.63 118.95 121.83 1wgo s ARG 43 Ca 0.31 0.41 -0.13 0.00 -1.72 0.00 0.00 55.73 54.59 1wgo s ARG 43 Cb -0.10 -2.33 0.02 0.00 -0.45 0.00 0.00 34.95 32.09 1wgo s ARG 43 CO 0.23 -0.19 1.10 -1.25 -0.68 0.00 0.00 175.30 174.52 1wgo s PRO 44 N -4.41 2.59 0.00 3.54 0.04 -1.26 -3.40 135.00 132.10 1wgo s PRO 44 Ca 0.50 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1wgo s PRO 44 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1wgo s PRO 44 CO 0.40 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.45 1wgo n GLY 45 N -0.78 2.63 3.76 0.56 0.00 -0.89 -4.98 105.19 105.49 1wgo n GLY 45 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1wgo n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgo s GLU 46 N -0.02 4.54 -0.02 1.61 0.41 -1.22 -4.55 118.70 119.46 1wgo s GLU 46 Ca 0.00 1.79 -0.22 0.00 -0.41 0.00 0.00 54.97 56.13 1wgo s GLU 46 Cb 0.00 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 1wgo s GLU 46 CO 0.00 0.13 0.65 0.16 -0.49 0.00 0.00 175.26 175.70 1wgo s ASP 47 N -0.95 7.01 0.13 -0.19 1.47 -1.26 -4.08 116.67 118.80 1wgo s ASP 47 Ca 0.47 1.20 -0.03 0.00 1.18 0.00 0.00 52.55 55.37 1wgo s ASP 47 Cb -0.31 -2.39 -0.05 0.00 -0.34 0.00 0.00 42.92 39.83 1wgo s ASP 47 CO 0.40 0.03 0.34 0.54 0.68 0.00 0.00 175.17 177.16 1wgo s VAL 48 N 0.11 5.22 -0.16 2.11 0.11 0.04 -4.80 120.40 123.03 1wgo s VAL 48 Ca 0.34 -0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1wgo s VAL 48 Cb -0.18 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 1wgo s VAL 48 CO 0.18 0.04 0.02 -0.76 -3.33 0.00 0.00 175.10 171.24 1wgo s LEU 49 N -2.70 3.58 -0.33 2.54 2.01 -1.26 -2.20 118.68 120.32 1wgo s LEU 49 Ca 0.39 0.01 -0.01 0.00 0.01 0.00 0.00 54.13 54.53 1wgo s LEU 49 Cb -0.12 -1.88 0.07 0.00 0.01 0.00 0.00 46.19 44.27 1wgo s LEU 49 CO 0.26 0.20 0.05 -0.36 1.01 0.00 0.00 176.35 177.50 1wgo s PHE 50 N 0.20 3.39 0.18 0.29 0.08 -0.62 -1.93 117.98 119.57 1wgo s PHE 50 Ca 0.01 -2.13 -0.26 0.00 0.12 0.00 0.00 56.93 54.68 1wgo s PHE 50 Cb -0.13 -2.43 -0.08 0.00 -0.57 0.00 0.00 43.02 39.81 1wgo s PHE 50 CO 0.02 -0.86 0.80 0.08 -0.10 0.00 0.00 175.22 175.15 1wgo s VAL 51 N 1.19 4.33 -0.11 -0.44 1.01 0.19 -2.25 120.40 124.33 1wgo s VAL 51 Ca -0.01 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.74 1wgo s VAL 51 Cb -0.20 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wgo s VAL 51 CO -0.03 0.50 -0.18 0.54 0.00 0.00 0.00 175.10 175.93 1wgo s VAL 52 N -1.18 1.68 -0.07 2.92 0.11 -1.26 -1.90 120.40 120.70 1wgo s VAL 52 Ca 0.37 -0.77 -0.16 0.00 -2.93 0.00 0.00 61.98 58.49 1wgo s VAL 52 Cb -0.23 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1wgo s VAL 52 CO 0.27 0.48 0.38 -0.60 -3.33 0.00 0.00 175.10 172.30 1wgo s ARG 53 N 0.76 0.64 0.19 1.54 3.52 -1.26 -4.69 118.95 119.64 1wgo s ARG 53 Ca -0.11 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.67 1wgo s ARG 53 Cb -0.16 0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 1wgo s ARG 53 CO 0.02 -0.15 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.10 1wgo s GLN 54 N -0.77 1.24 -0.24 5.12 0.74 -1.26 -4.08 119.66 120.40 1wgo s GLN 54 Ca -0.09 -1.55 -0.16 0.00 0.05 0.00 0.00 55.36 53.62 1wgo s GLN 54 Cb -0.04 -0.89 -0.11 0.00 1.10 0.00 0.00 33.01 33.07 1wgo s GLN 54 CO 0.04 0.11 -0.31 0.39 -0.55 0.00 0.00 175.29 174.97 1wgo n GLU 55 N -0.32 0.57 0.03 1.67 -0.58 -1.24 -4.61 120.64 116.15 1wgo n GLU 55 Ca -0.08 0.28 -0.05 0.00 -0.42 0.00 0.00 57.16 56.88 1wgo n GLU 55 Cb 0.61 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 1wgo n GLU 55 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1wgo h GLN 56 N -1.00 0.00 0.00 3.49 5.75 -1.86 -3.47 115.11 118.03 1wgo h GLN 56 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1wgo h GLN 56 Cb 1.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.93 1wgo h GLN 56 CO -0.28 0.63 0.00 0.41 -2.65 0.00 0.00 178.83 176.94 1wgo n GLY 57 N 1.42 -3.05 2.13 2.39 0.00 -1.26 -4.64 105.19 102.17 1wgo n GLY 57 Ca -0.08 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1wgo n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgo n ASP 58 N 0.00 -3.22 -0.01 1.61 2.03 -1.26 -4.95 116.55 110.75 1wgo n ASP 58 Ca 0.00 -0.14 -0.01 0.00 0.52 0.00 0.00 54.79 55.15 1wgo n ASP 58 Cb 0.00 -1.85 -0.00 0.00 -0.72 0.00 0.00 41.12 38.54 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wgo n VAL 59 N -3.34 0.07 -3.94 5.18 3.14 -1.26 -5.11 118.33 113.07 1wgo n VAL 59 Ca -0.01 -0.02 -0.09 0.00 -2.96 0.00 0.00 64.34 61.27 1wgo n VAL 59 Cb 0.52 -1.32 -0.08 0.00 -1.06 0.00 0.00 33.84 31.90 1wgo n VAL 59 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1wgo s LEU 60 N -5.87 1.62 -0.12 6.55 0.05 -1.26 -5.11 118.68 114.54 1wgo s LEU 60 Ca -0.02 -0.80 -0.29 0.00 0.05 0.00 0.00 54.13 53.08 1wgo s LEU 60 Cb 0.01 0.82 -0.06 0.00 -2.05 0.00 0.00 46.19 44.90 1wgo s LEU 60 CO 0.02 -0.72 2.07 -0.89 -0.55 0.00 0.00 176.35 176.28 1wgo s THR 61 N -3.90 3.08 0.02 5.48 2.01 -1.26 -4.97 115.64 116.09 1wgo s THR 61 Ca 0.08 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.22 1wgo s THR 61 Cb 0.06 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1wgo s THR 61 CO -0.08 -0.04 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.78 1wgo s THR 62 N 6.54 3.05 -0.10 -0.82 2.01 -1.26 -4.94 115.64 120.11 1wgo s THR 62 Ca 0.93 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 1wgo s THR 62 Cb -0.36 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1wgo s THR 62 CO 0.37 0.40 0.73 -0.54 -0.69 0.00 0.00 174.62 174.89 1wgo s LYS 63 N -1.31 4.38 -0.08 4.92 1.02 -1.26 -3.51 119.74 123.90 1wgo s LYS 63 Ca 0.15 0.89 0.04 0.00 0.02 0.00 0.00 55.97 57.07 1wgo s LYS 63 Cb -0.11 -3.49 -0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1wgo s LYS 63 CO 0.05 -0.06 -0.22 0.71 -0.92 0.00 0.00 175.35 174.91 1wgo s TYR 64 N 1.23 2.34 -0.14 3.18 2.02 -1.16 -3.78 117.35 121.05 1wgo s TYR 64 Ca 0.37 -0.89 -0.09 0.00 -0.37 0.00 0.00 57.07 56.09 1wgo s TYR 64 Cb -0.17 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1wgo s TYR 64 CO 0.16 -0.35 0.17 -1.14 -1.57 0.00 0.00 175.55 172.82 1wgo s GLN 65 N 0.28 3.79 -0.18 -0.62 2.00 -1.01 -3.22 119.66 120.69 1wgo s GLN 65 Ca -0.15 -0.09 0.01 0.00 -2.00 0.00 0.00 55.36 53.13 1wgo s GLN 65 Cb -0.17 -3.29 0.03 0.00 0.80 0.00 0.00 33.01 30.38 1wgo s GLN 65 CO 0.07 0.57 -0.17 0.08 -0.50 0.00 0.00 175.29 175.34 1wgo s VAL 66 N -0.45 1.93 -0.31 1.34 1.01 -1.20 -2.34 120.40 120.38 1wgo s VAL 66 Ca 0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1wgo s VAL 66 Cb -0.12 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1wgo s VAL 66 CO 0.03 0.44 0.01 -0.62 0.00 0.00 0.00 175.10 174.96 1wgo s ASP 67 N 1.32 4.91 0.02 3.32 -1.08 -1.20 -3.68 116.67 120.28 1wgo s ASP 67 Ca 0.03 -1.35 -0.21 0.00 -0.52 0.00 0.00 52.55 50.50 1wgo s ASP 67 Cb -0.14 -1.72 -0.18 0.00 -1.46 0.00 0.00 42.92 39.43 1wgo s ASP 67 CO -0.11 -0.28 1.23 -0.07 0.52 0.00 0.00 175.17 176.46 1wgo h LEU 68 N 7.99 0.39 0.00 -1.34 -0.00 -1.76 -2.87 115.31 117.71 1wgo h LEU 68 Ca -0.20 -0.60 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 1wgo h LEU 68 Cb 1.06 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 1wgo h LEU 68 CO 0.54 0.92 0.00 0.61 -0.00 0.00 0.00 178.44 180.51 1wgo n GLY 69 N 0.54 2.87 0.32 0.83 0.00 -1.26 -3.91 105.19 104.58 1wgo n GLY 69 Ca -0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 1wgo n GLY 69 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgo h ASP 70 N 0.00 -1.01 0.00 1.61 2.03 -1.94 -3.43 116.42 113.69 1wgo h ASP 70 Ca 0.00 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1wgo h ASP 70 Cb 0.00 0.48 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1wgo h ASP 70 CO 0.00 -0.31 0.00 0.61 -1.03 0.00 0.00 179.24 178.51 1wgo n GLY 71 N -1.41 0.00 3.30 7.15 0.00 -1.26 -5.15 105.19 107.82 1wgo n GLY 71 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1wgo n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wgo s PHE 72 N 0.00 2.77 -0.04 1.61 5.36 -1.26 -5.08 117.98 121.34 1wgo s PHE 72 Ca 0.00 -0.91 -0.02 0.00 -0.96 0.00 0.00 56.93 55.05 1wgo s PHE 72 Cb 0.00 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.85 1wgo s PHE 72 CO 0.00 -0.38 0.07 0.15 -1.46 0.00 0.00 175.22 173.60 1wgo s LYS 73 N 0.63 -0.03 0.17 10.12 1.02 -1.26 -2.82 119.74 127.58 1wgo s LYS 73 Ca -0.08 0.34 -0.12 0.00 0.02 0.00 0.00 55.97 56.12 1wgo s LYS 73 Cb -0.16 -0.34 0.01 0.00 -0.52 0.00 0.00 37.83 36.82 1wgo s LYS 73 CO 0.03 -0.25 0.37 0.00 -0.92 0.00 0.00 175.35 174.58 1wgo s ALA 74 N 1.66 -0.38 -0.26 5.17 0.00 -1.24 -5.10 121.76 121.61 1wgo s ALA 74 Ca -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1wgo s ALA 74 Cb -0.12 0.84 0.08 0.00 0.00 0.00 0.00 23.12 23.92 1wgo s ALA 74 CO -0.04 -0.70 0.05 1.41 0.00 0.00 0.00 175.76 176.48 1wgo s MET 75 N -3.93 0.93 -0.10 0.00 1.75 -1.26 -3.23 119.30 113.45 1wgo s MET 75 Ca 0.13 -0.91 -0.10 0.00 -1.25 0.00 0.00 55.69 53.56 1wgo s MET 75 Cb 0.02 -2.21 -0.05 0.00 2.84 0.00 0.00 34.83 35.43 1wgo s MET 75 CO -0.02 -0.80 0.22 0.71 -0.65 0.00 0.00 175.02 174.48 1wgo s TYR 76 N 1.60 3.60 -0.04 4.11 1.51 -1.20 -5.00 117.35 121.93 1wgo s TYR 76 Ca 0.03 0.63 0.04 0.00 -1.01 0.00 0.00 57.07 56.77 1wgo s TYR 76 Cb -0.18 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1wgo s TYR 76 CO -0.15 0.61 -0.16 0.08 -1.11 0.00 0.00 175.55 174.82 1wgo s VAL 77 N -0.73 2.88 -1.17 0.71 1.01 -1.26 -2.96 120.40 118.87 1wgo s VAL 77 Ca 0.17 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1wgo s VAL 77 Cb -0.13 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1wgo s VAL 77 CO 0.06 0.59 0.74 -3.20 0.00 0.00 0.00 175.10 173.28 1wgo n ASN 78 N 2.34 -5.41 0.44 3.32 4.05 -1.23 -4.92 115.26 113.84 1wgo n ASN 78 Ca -0.17 -0.34 -0.17 0.00 0.45 0.00 0.00 54.58 54.35 1wgo n ASN 78 Cb 0.52 -4.13 -0.08 0.00 1.23 0.00 0.00 39.78 37.32 1wgo n ASN 78 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1wgo h LEU 79 N -1.68 -0.96 -0.99 1.20 5.85 -1.84 0.17 115.31 117.06 1wgo h LEU 79 Ca -0.44 0.03 0.33 0.00 0.84 0.00 0.00 57.88 58.64 1wgo h LEU 79 Cb 1.30 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 42.42 1wgo h LEU 79 CO 0.45 -0.61 0.53 0.71 -0.34 0.00 0.00 178.44 179.18 1wgo h THR 80 N -1.28 0.24 0.05 1.05 1.35 -1.92 0.56 112.91 112.96 1wgo h THR 80 Ca -0.12 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1wgo h THR 80 Cb 0.87 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1wgo h THR 80 CO 0.19 0.05 -0.03 0.25 -0.25 0.00 0.00 175.52 175.73 1wgo h LEU 81 N 0.25 -0.06 -2.28 3.87 6.46 -1.91 -3.17 115.31 118.47 1wgo h LEU 81 Ca 0.74 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1wgo h LEU 81 Cb 1.74 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.68 1wgo h LEU 81 CO -0.65 0.52 0.01 0.71 -0.62 0.00 0.00 178.44 178.41 1wgo h THR 82 N -0.67 0.71 0.00 1.05 1.35 0.12 -3.45 112.91 112.02 1wgo h THR 82 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1wgo h THR 82 Cb 0.58 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1wgo h THR 82 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1wgo n GLY 83 N -1.41 1.05 3.03 5.82 0.00 0.17 -4.91 105.19 108.93 1wgo n GLY 83 Ca -0.03 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.44 1wgo n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgo n GLU 84 N 0.00 0.00 -1.07 1.61 1.02 -1.26 -4.84 120.64 116.10 1wgo n GLU 84 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1wgo n GLU 84 Cb 0.00 -1.26 0.25 0.00 -0.02 0.00 0.00 31.44 30.41 1wgo n GLU 84 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wgo s PRO 85 N 3.24 -1.54 -0.36 3.49 0.04 -1.26 -4.97 135.00 133.63 1wgo s PRO 85 Ca 0.92 -0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 1wgo s PRO 85 Cb -1.26 -1.57 0.06 0.00 0.04 0.00 0.00 34.50 31.77 1wgo s PRO 85 CO 0.65 -3.90 0.14 0.42 0.04 0.00 0.00 177.00 174.35 1wgo s ILE 86 N -3.02 3.79 -0.08 0.56 1.01 -0.95 -4.92 121.20 117.59 1wgo s ILE 86 Ca 0.72 -1.30 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1wgo s ILE 86 Cb -0.08 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1wgo s ILE 86 CO 0.56 -0.30 0.25 -0.60 0.00 0.00 0.00 174.94 174.84 1wgo s ARG 87 N 1.37 3.69 -0.28 2.79 3.52 -1.26 -1.58 118.95 127.20 1wgo s ARG 87 Ca 0.00 0.08 -0.19 0.00 -0.13 0.00 0.00 55.73 55.50 1wgo s ARG 87 Cb -0.21 -3.22 0.11 0.00 -1.56 0.00 0.00 34.95 30.07 1wgo s ARG 87 CO 0.02 0.70 0.87 -1.58 -0.81 0.00 0.00 175.30 174.50 1wgo s HIS 88 N -0.91 -0.73 0.24 5.12 2.46 -0.93 -4.95 115.29 115.59 1wgo s HIS 88 Ca 0.18 1.54 0.10 0.00 0.47 0.00 0.00 55.06 57.35 1wgo s HIS 88 Cb -0.14 0.43 -0.04 0.00 -0.13 0.00 0.00 32.58 32.70 1wgo s HIS 88 CO 0.07 -0.36 -0.06 -0.98 -2.47 0.00 0.00 174.74 170.95 1wgo s ARG 89 N 1.12 2.15 0.36 2.88 1.70 -1.26 -0.78 118.95 125.12 1wgo s ARG 89 Ca -0.06 -1.43 0.08 0.00 -0.47 0.00 0.00 55.73 53.85 1wgo s ARG 89 Cb -0.04 -2.11 -0.04 0.00 -0.57 0.00 0.00 34.95 32.18 1wgo s ARG 89 CO -0.13 0.38 0.16 0.71 -1.08 0.00 0.00 175.30 175.33 1wgo s TYR 90 N -2.18 2.67 -0.23 5.89 2.02 -1.26 -4.97 117.35 119.28 1wgo s TYR 90 Ca 0.29 -0.45 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 1wgo s TYR 90 Cb -0.07 -1.74 -0.17 0.00 -0.40 0.00 0.00 41.96 39.58 1wgo s TYR 90 CO 0.18 0.28 0.01 -1.91 -1.57 0.00 0.00 175.55 172.54 1wgo n GLU 91 N -1.18 0.60 -4.30 -0.62 4.07 -1.26 -2.10 120.64 115.85 1wgo n GLU 91 Ca -0.02 0.42 -0.27 0.00 -0.06 0.00 0.00 57.16 57.23 1wgo n GLU 91 Cb 0.62 -1.64 -0.10 0.00 -0.06 0.00 0.00 31.44 30.26 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1wgo s SER 92 N -7.08 4.17 0.87 4.31 0.01 -1.26 -4.45 113.70 110.27 1wgo s SER 92 Ca -0.32 -0.61 -0.11 0.00 1.31 0.00 0.00 55.95 56.22 1wgo s SER 92 Cb 0.09 -0.67 0.11 0.00 0.21 0.00 0.00 66.02 65.76 1wgo s SER 92 CO 0.57 0.11 1.09 -2.16 0.41 0.00 0.00 173.24 173.26 1wgo s PRO 93 N -2.81 1.50 0.00 12.44 0.04 -1.26 -4.93 135.00 139.98 1wgo s PRO 93 Ca 0.24 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1wgo s PRO 93 Cb -0.09 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1wgo s PRO 93 CO 0.15 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1wgo n GLY 94 N -1.15 4.70 3.67 0.56 0.00 -0.52 -5.00 105.19 107.45 1wgo n GLY 94 Ca 0.07 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1wgo n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgo s ILE 95 N -1.78 3.49 0.21 -0.61 -1.09 -1.26 -3.97 121.20 116.19 1wgo s ILE 95 Ca 0.00 0.74 0.05 0.00 -2.23 0.00 0.00 60.65 59.21 1wgo s ILE 95 Cb 0.00 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1wgo s ILE 95 CO 0.00 -0.04 0.27 -0.31 -1.23 0.00 0.00 174.94 173.63 1wgo s TYR 96 N 3.37 3.33 -0.24 3.97 2.02 0.15 -4.96 117.35 124.99 1wgo s TYR 96 Ca 0.71 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 57.42 1wgo s TYR 96 Cb -0.34 -1.54 0.05 0.00 -0.40 0.00 0.00 41.96 39.73 1wgo s TYR 96 CO 0.29 0.49 -0.12 1.03 -1.57 0.00 0.00 175.55 175.67 1wgo s ARG 97 N -3.67 2.31 0.00 -0.62 0.52 -1.25 -2.03 118.95 114.21 1wgo s ARG 97 Ca 0.33 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1wgo s ARG 97 Cb -0.09 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1wgo s ARG 97 CO 0.27 -0.50 0.04 0.08 0.02 0.00 0.00 175.30 175.21 1wgo s VAL 98 N 1.17 4.43 0.21 3.52 1.01 0.30 -4.13 120.40 126.91 1wgo s VAL 98 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1wgo s VAL 98 Cb -0.19 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1wgo s VAL 98 CO -0.07 0.34 0.04 -0.94 0.00 0.00 0.00 175.10 174.48 1wgo s SER 99 N -1.71 1.24 -0.16 3.32 1.04 -1.08 -0.48 113.70 115.88 1wgo s SER 99 Ca 0.22 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.32 1wgo s SER 99 Cb -0.12 0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.20 1wgo s SER 99 CO 0.13 -0.63 0.34 0.54 0.98 0.00 0.00 173.24 174.60 1wgo s VAL 100 N -3.68 -0.38 0.24 5.02 0.11 -0.78 -3.21 120.40 117.72 1wgo s VAL 100 Ca 0.30 0.19 0.09 0.00 -2.93 0.00 0.00 61.98 59.62 1wgo s VAL 100 Cb 0.07 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1wgo s VAL 100 CO 0.08 0.08 0.02 -0.60 -3.33 0.00 0.00 175.10 171.36 1wgo s ARG 101 N 2.17 2.42 -0.30 1.54 3.52 -0.99 -0.77 118.95 126.54 1wgo s ARG 101 Ca -0.03 -1.27 -0.11 0.00 -0.13 0.00 0.00 55.73 54.19 1wgo s ARG 101 Cb -0.11 -2.28 0.13 0.00 -1.56 0.00 0.00 34.95 31.13 1wgo s ARG 101 CO -0.11 0.40 0.69 0.00 -0.81 0.00 0.00 175.30 175.47 1wgo s ALA 102 N -2.11 -2.11 -0.23 6.12 0.00 -0.38 -2.40 121.76 120.65 1wgo s ALA 102 Ca 0.30 2.32 -0.03 0.00 0.00 0.00 0.00 51.96 54.55 1wgo s ALA 102 Cb -0.08 -1.79 0.08 0.00 0.00 0.00 0.00 23.12 21.33 1wgo s ALA 102 CO 0.20 -0.89 0.08 -2.00 0.00 0.00 0.00 175.76 173.15 1wgo s GLU 103 N 2.76 0.45 0.47 0.00 2.12 -1.25 0.56 118.70 123.81 1wgo s GLU 103 Ca -0.06 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.82 1wgo s GLU 103 Cb -0.11 -1.83 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1wgo s GLU 103 CO -0.19 -0.79 0.13 0.54 -0.54 0.00 0.00 175.26 174.41 1wgo s ASN 104 N 1.92 4.27 0.15 -1.70 2.20 0.15 -4.59 114.94 117.34 1wgo s ASN 104 Ca 0.04 -1.34 -0.27 0.00 -0.94 0.00 0.00 52.86 50.35 1wgo s ASN 104 Cb -0.17 0.01 -0.01 0.00 -2.00 0.00 0.00 41.25 39.08 1wgo s ASN 104 CO -0.18 -0.72 1.58 0.74 -2.94 0.00 0.00 177.10 175.58 1wgo h THR 105 N 1.34 0.15 0.08 0.54 2.02 -2.00 -2.87 112.91 112.18 1wgo h THR 105 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1wgo h THR 105 Cb 1.28 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1wgo h THR 105 CO 0.71 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 176.38 1wgo h ALA 106 N 0.40 -0.78 -3.00 6.16 0.00 -1.96 -3.48 119.26 116.59 1wgo h ALA 106 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wgo h ALA 106 Cb 0.59 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wgo h ALA 106 CO -0.50 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 178.33 1wgo n GLY 107 N -1.21 3.99 3.53 0.00 0.00 -1.08 -4.71 105.19 105.70 1wgo n GLY 107 Ca -0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1wgo n GLY 107 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wgo s HIS 108 N -0.08 0.98 0.07 1.61 -3.43 -1.26 0.33 115.29 113.50 1wgo s HIS 108 Ca 0.00 -1.25 -0.28 0.00 -0.80 0.00 0.00 55.06 52.73 1wgo s HIS 108 Cb 0.00 0.02 0.09 0.00 -1.43 0.00 0.00 32.58 31.26 1wgo s HIS 108 CO 0.00 -1.19 1.07 0.16 -2.00 0.00 0.00 174.74 172.77 1wgo s ASP 109 N -3.23 -0.16 0.00 7.38 1.47 0.19 -4.45 116.67 117.89 1wgo s ASP 109 Ca 0.29 -0.26 -0.26 0.00 1.18 0.00 0.00 52.55 53.50 1wgo s ASP 109 Cb -0.01 0.36 0.06 0.00 -0.34 0.00 0.00 42.92 42.99 1wgo s ASP 109 CO 0.20 -0.65 0.59 -0.70 0.68 0.00 0.00 175.17 175.29 1wgo s GLU 110 N -2.95 1.04 0.20 2.11 -6.30 -1.26 -1.25 118.70 110.30 1wgo s GLU 110 Ca 0.12 0.01 -0.04 0.00 -2.50 0.00 0.00 54.97 52.56 1wgo s GLU 110 Cb 0.01 0.48 -0.03 0.00 0.00 0.00 0.00 34.13 34.59 1wgo s GLU 110 CO -0.01 -0.35 0.21 0.00 0.02 0.00 0.00 175.26 175.12 1wgo s ALA 111 N -1.82 0.78 -0.03 6.30 0.00 0.05 -4.89 121.76 122.15 1wgo s ALA 111 Ca -0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.38 1wgo s ALA 111 Cb -0.01 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.37 1wgo s ALA 111 CO 0.04 -0.64 0.09 0.08 0.00 0.00 0.00 175.76 175.33 1wgo s VAL 112 N -4.11 0.01 -0.00 0.00 1.01 -1.26 -1.86 120.40 114.19 1wgo s VAL 112 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1wgo s VAL 112 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 1wgo s VAL 112 CO 0.10 -0.06 -0.04 -0.22 0.00 0.00 0.00 175.10 174.88 1wgo s LEU 113 N -0.15 2.02 -0.15 3.92 0.20 0.37 -4.87 118.68 120.02 1wgo s LEU 113 Ca -0.02 -0.10 -0.01 0.00 0.69 0.00 0.00 54.13 54.69 1wgo s LEU 113 Cb -0.02 -0.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.53 1wgo s LEU 113 CO 0.00 0.04 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.63 1wgo s PHE 114 N -0.16 2.85 -0.09 5.38 0.40 -1.26 -0.54 117.98 124.56 1wgo s PHE 114 Ca 0.01 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.60 1wgo s PHE 114 Cb -0.02 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1wgo s PHE 114 CO -0.00 -0.31 -0.08 0.08 0.70 0.00 0.00 175.22 175.61 1wgo s VAL 115 N 0.64 3.60 -0.18 -0.44 1.01 -0.86 -4.99 120.40 119.18 1wgo s VAL 115 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1wgo s VAL 115 Cb -0.15 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1wgo s VAL 115 CO 0.03 0.57 -0.17 -1.58 0.00 0.00 0.00 175.10 173.95 1wgo s GLN 116 N -0.51 2.63 -0.31 2.72 0.74 -1.26 -0.67 119.66 122.99 1wgo s GLN 116 Ca 0.07 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.71 1wgo s GLN 116 Cb -0.12 -2.44 0.09 0.00 1.10 0.00 0.00 33.01 31.64 1wgo s GLN 116 CO 0.02 -0.27 0.05 0.54 -0.55 0.00 0.00 175.29 175.09 1wgo s VAL 117 N 1.34 1.59 0.01 1.34 0.11 -1.25 -2.36 120.40 121.18 1wgo s VAL 117 Ca 0.03 -1.79 -0.23 0.00 -2.93 0.00 0.00 61.98 57.06 1wgo s VAL 117 Cb -0.14 -2.14 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 1wgo s VAL 117 CO -0.11 -0.56 0.68 -0.55 -3.33 0.00 0.00 175.10 171.23 1wgo s SER 118 N 1.27 7.08 1.13 3.54 0.15 -0.65 -1.43 113.70 124.79 1wgo s SER 118 Ca 0.08 1.29 -0.13 0.00 0.70 0.00 0.00 55.95 57.89 1wgo s SER 118 Cb -0.18 -2.42 0.27 0.00 -1.71 0.00 0.00 66.02 61.98 1wgo s SER 118 CO -0.15 0.04 1.04 -0.83 1.20 0.00 0.00 173.24 174.54 1wgo s GLY 119 N -0.01 1.55 0.35 9.45 0.00 -1.26 -4.14 107.32 113.25 1wgo s GLY 119 Ca 0.35 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.84 1wgo s GLY 119 CO 0.20 0.52 0.31 -1.55 0.00 0.00 0.00 173.10 172.58 1wgo n PRO 120 N -4.78 -1.63 -3.77 2.90 -0.04 -1.26 -4.96 135.00 121.47 1wgo n PRO 120 Ca 0.03 -0.49 -0.36 0.00 -0.04 0.00 0.00 63.50 62.64 1wgo n PRO 120 Cb 0.55 -0.46 -0.11 0.00 -0.04 0.00 0.00 33.50 33.44 1wgo n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgo s SER 121 N -2.34 5.24 1.07 3.54 0.15 -1.26 -5.09 113.70 115.01 1wgo s SER 121 Ca 0.20 -2.22 -0.18 0.00 0.70 0.00 0.00 55.95 54.45 1wgo s SER 121 Cb -0.02 -1.83 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 1wgo s SER 121 CO 0.15 -0.50 -0.11 -1.20 1.20 0.00 0.00 173.24 172.78 1wgo n SER 122 N 4.35 -2.52 0.00 5.45 7.64 -1.26 -5.35 113.62 121.93 1wgo n SER 122 Ca -0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1wgo n SER 122 Cb 0.40 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1wgo n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64