#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 -0.14 0.01 1.61 0.01 -1.26 -5.08 113.70 108.86 1wgo s SER 2 Ca 0.00 0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.22 1wgo s SER 2 Cb 0.00 0.34 -0.13 0.00 0.21 0.00 0.00 66.02 66.44 1wgo s SER 2 CO 0.00 -0.19 1.04 -1.28 0.41 0.00 0.00 173.24 173.22 1wgo h SER 3 N 5.23 -0.72 -4.59 2.44 0.87 -2.16 -3.50 113.55 111.12 1wgo h SER 3 Ca -0.27 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1wgo h SER 3 Cb 1.19 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1wgo h SER 3 CO 0.39 -0.37 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1wgo n GLY 4 N -0.54 3.87 3.01 5.77 0.00 -1.26 -5.12 105.19 110.93 1wgo n GLY 4 Ca -0.11 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.29 0.08 1.61 1.04 -1.26 -5.16 113.70 110.31 1wgo s SER 5 Ca 0.00 0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.98 1wgo s SER 5 Cb 0.00 0.96 -0.03 0.00 0.10 0.00 0.00 66.02 67.05 1wgo s SER 5 CO 0.00 -0.27 -0.19 -0.44 0.98 0.00 0.00 173.24 173.32 1wgo s SER 6 N 2.50 2.28 -0.28 7.02 0.01 -1.26 -5.14 113.70 118.82 1wgo s SER 6 Ca 0.05 -0.63 -0.20 0.00 1.31 0.00 0.00 55.95 56.48 1wgo s SER 6 Cb -0.14 -0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.06 1wgo s SER 6 CO -0.12 0.04 0.80 -0.83 0.41 0.00 0.00 173.24 173.53 1wgo s GLY 7 N -1.72 -0.43 -0.19 3.44 0.00 -1.26 -5.15 107.32 102.01 1wgo s GLY 7 Ca 0.04 2.49 -0.07 0.00 0.00 0.00 0.00 44.72 47.18 1wgo s GLY 7 CO 0.03 2.19 0.41 0.00 0.00 0.00 0.00 173.10 175.73 1wgo s GLU 9 N 2.43 1.49 0.00 0.00 -1.05 -1.26 -5.16 118.70 115.14 1wgo s GLU 9 Ca -0.03 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 1wgo s GLU 9 Cb -0.11 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1wgo s GLU 9 CO -0.12 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 175.85 1wgo n GLY 10 N -0.38 4.02 0.00 -3.83 0.00 -1.26 -5.18 105.19 98.55 1wgo n GLY 10 Ca -0.09 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1wgo n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgo n GLY 11 N -0.05 -0.77 3.21 -0.02 0.00 -1.26 -5.00 105.19 101.29 1wgo n GLY 11 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1wgo n GLY 11 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wgo n VAL 12 N 0.00 0.00 -4.93 1.61 3.14 -1.26 -4.85 118.33 112.04 1wgo n VAL 12 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1wgo n VAL 12 Cb 0.00 -0.27 -0.15 0.00 -1.06 0.00 0.00 33.84 32.37 1wgo n VAL 12 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1wgo s ASP 13 N -2.28 3.77 0.09 6.55 2.15 -1.26 -5.12 116.67 120.57 1wgo s ASP 13 Ca 0.45 -0.35 0.06 0.00 0.43 0.00 0.00 52.55 53.13 1wgo s ASP 13 Cb -0.26 -1.31 -0.03 0.00 -0.30 0.00 0.00 42.92 41.01 1wgo s ASP 13 CO 0.55 0.22 -0.15 -0.04 -0.17 0.00 0.00 175.17 175.58 1wgo s MET 14 N 0.04 0.93 0.02 4.34 -1.94 -1.26 -5.15 119.30 116.28 1wgo s MET 14 Ca -0.06 -1.09 -0.03 0.00 -1.71 0.00 0.00 55.69 52.80 1wgo s MET 14 Cb -0.15 -0.90 -0.04 0.00 2.01 0.00 0.00 34.83 35.75 1wgo s MET 14 CO 0.05 0.19 0.22 1.14 -0.01 0.00 0.00 175.02 176.60 1wgo s GLN 15 N -2.15 3.48 0.42 2.03 0.00 -1.26 -5.11 119.66 117.06 1wgo s GLN 15 Ca 0.03 -0.29 0.08 0.00 -0.00 0.00 0.00 55.36 55.18 1wgo s GLN 15 Cb -0.08 -3.06 0.01 0.00 0.00 0.00 0.00 33.01 29.88 1wgo s GLN 15 CO 0.03 0.64 0.56 -0.65 0.00 0.00 0.00 175.29 175.87 1wgo s GLN 16 N -2.11 2.82 -0.29 9.60 -1.52 -1.26 -5.13 119.66 121.78 1wgo s GLN 16 Ca 0.30 -1.25 -0.14 0.00 -1.95 0.00 0.00 55.36 52.33 1wgo s GLN 16 Cb -0.13 -2.75 0.11 0.00 -0.22 0.00 0.00 33.01 30.02 1wgo s GLN 16 CO 0.21 -0.26 0.71 0.45 -0.25 0.00 0.00 175.29 176.14 1wgo s SER 17 N -4.34 -0.98 -0.86 5.90 0.15 -1.26 -5.11 113.70 107.21 1wgo s SER 17 Ca 0.55 1.46 -0.11 0.00 0.70 0.00 0.00 55.95 58.55 1wgo s SER 17 Cb -0.10 1.72 0.22 0.00 -1.71 0.00 0.00 66.02 66.15 1wgo s SER 17 CO 0.33 -0.22 0.79 -1.10 1.20 0.00 0.00 173.24 174.24 1wgo s GLN 18 N 2.10 3.55 -0.36 5.44 -1.52 -1.26 -4.97 119.66 122.64 1wgo s GLN 18 Ca -0.08 -2.67 0.00 0.00 -1.95 0.00 0.00 55.36 50.66 1wgo s GLN 18 Cb -0.07 -4.32 0.12 0.00 -0.22 0.00 0.00 33.01 28.51 1wgo s GLN 18 CO -0.19 -1.26 0.16 0.08 -0.25 0.00 0.00 175.29 173.83 1wgo s VAL 19 N -0.24 1.02 -0.45 1.09 1.01 -1.26 -5.06 120.40 116.51 1wgo s VAL 19 Ca 0.21 -1.88 0.04 0.00 0.00 0.00 0.00 61.98 60.35 1wgo s VAL 19 Cb -0.11 -1.75 0.12 0.00 0.00 0.00 0.00 36.38 34.64 1wgo s VAL 19 CO -0.08 -0.79 0.18 -1.58 0.00 0.00 0.00 175.10 172.82 1wgo s GLN 20 N 1.07 1.78 0.12 2.72 2.00 -1.26 -5.10 119.66 121.00 1wgo s GLN 20 Ca 0.14 -2.33 0.04 0.00 -2.00 0.00 0.00 55.36 51.20 1wgo s GLN 20 Cb -0.21 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 1wgo s GLN 20 CO -0.13 -1.04 0.13 -0.51 -0.50 0.00 0.00 175.29 173.24 1wgo s LEU 21 N 0.18 3.88 0.56 3.68 1.43 -1.26 -5.09 118.68 122.07 1wgo s LEU 21 Ca 0.15 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.01 1wgo s LEU 21 Cb -0.23 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1wgo s LEU 21 CO -0.03 0.12 1.32 -1.58 0.23 0.00 0.00 176.35 176.40 1wgo s GLN 22 N -2.78 3.06 0.07 1.70 0.74 -1.26 -5.02 119.66 116.17 1wgo s GLN 22 Ca 0.31 2.14 0.04 0.00 0.05 0.00 0.00 55.36 57.90 1wgo s GLN 22 Cb -0.11 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.79 1wgo s GLN 22 CO 0.24 -1.22 -0.01 0.00 -0.55 0.00 0.00 175.29 173.75 1wgo s PRO 24 N -2.15 -1.60 0.50 0.00 0.04 -1.26 -5.06 135.00 125.47 1wgo s PRO 24 Ca 0.24 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.10 1wgo s PRO 24 Cb -0.12 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 32.88 1wgo s PRO 24 CO 0.16 -3.93 0.71 -0.51 0.04 0.00 0.00 177.00 173.47 1wgo s LEU 25 N -7.05 3.43 0.13 -3.56 1.02 -1.26 -5.12 118.68 106.28 1wgo s LEU 25 Ca 0.72 -0.01 0.09 0.00 0.02 0.00 0.00 54.13 54.96 1wgo s LEU 25 Cb -0.07 -2.90 -0.04 0.00 0.02 0.00 0.00 46.19 43.19 1wgo s LEU 25 CO 0.56 -0.97 -0.18 0.42 0.02 0.00 0.00 176.35 176.20 1wgo s THR 26 N -2.64 2.83 0.84 5.49 -4.23 -1.26 -4.80 115.64 111.87 1wgo s THR 26 Ca 0.54 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 1wgo s THR 26 Cb -0.10 -2.31 0.10 0.00 1.34 0.00 0.00 72.50 71.53 1wgo s THR 26 CO 0.37 0.07 1.09 -2.16 -0.54 0.00 0.00 174.62 173.45 1wgo s PRO 27 N -2.24 1.69 0.62 3.99 0.04 -1.26 -4.55 135.00 133.30 1wgo s PRO 27 Ca 0.19 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1wgo s PRO 27 Cb -0.10 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1wgo s PRO 27 CO 0.10 -1.98 1.12 -1.25 0.04 0.00 0.00 177.00 175.03 1wgo s PRO 28 N -4.92 3.01 0.09 0.56 0.04 -1.26 -4.90 135.00 127.63 1wgo s PRO 28 Ca 0.62 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1wgo s PRO 28 Cb -0.18 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1wgo s PRO 28 CO 0.57 -1.10 0.10 1.03 0.04 0.00 0.00 177.00 177.64 1wgo s ARG 29 N -3.80 0.82 -1.52 4.56 0.52 -1.26 -4.89 118.95 113.38 1wgo s ARG 29 Ca 0.69 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1wgo s ARG 29 Cb -0.22 0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.57 1wgo s ARG 29 CO 0.36 -0.23 0.36 0.41 0.02 0.00 0.00 175.30 176.22 1wgo n GLY 30 N -0.03 -0.24 3.38 -3.53 0.00 -1.26 -0.82 105.19 102.69 1wgo n GLY 30 Ca -0.12 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -7.16 4.92 0.25 0.99 1.98 -1.26 -2.93 118.68 115.47 1wgo s LEU 31 Ca 0.17 -1.08 -0.20 0.00 -2.89 0.00 0.00 54.13 50.13 1wgo s LEU 31 Cb -0.09 -2.05 0.02 0.00 0.66 0.00 0.00 46.19 44.73 1wgo s LEU 31 CO 0.94 -0.44 0.65 -1.10 -1.89 0.00 0.00 176.35 174.51 1wgo s GLN 32 N 1.56 1.65 0.12 1.98 1.11 -1.26 -4.52 119.66 120.31 1wgo s GLN 32 Ca 0.03 -0.95 0.10 0.00 0.01 0.00 0.00 55.36 54.54 1wgo s GLN 32 Cb -0.20 0.58 -0.04 0.00 -1.01 0.00 0.00 33.01 32.34 1wgo s GLN 32 CO 0.07 -0.74 -0.21 0.14 0.01 0.00 0.00 175.29 174.56 1wgo s VAL 33 N -3.91 2.63 -0.02 1.09 -7.23 -1.26 -4.15 120.40 107.55 1wgo s VAL 33 Ca 0.11 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 1wgo s VAL 33 Cb -0.04 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1wgo s VAL 33 CO 0.04 0.11 0.26 -0.44 -0.31 0.00 0.00 175.10 174.75 1wgo s SER 34 N -2.07 -0.14 -0.23 4.85 0.01 -1.05 -4.96 113.70 110.11 1wgo s SER 34 Ca 0.16 0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 1wgo s SER 34 Cb -0.10 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1wgo s SER 34 CO 0.08 -0.39 0.68 -0.63 0.41 0.00 0.00 173.24 173.39 1wgo s ILE 35 N -1.21 4.96 -0.78 1.44 1.01 -1.26 0.06 121.20 125.42 1wgo s ILE 35 Ca -0.13 1.26 -0.14 0.00 0.00 0.00 0.00 60.65 61.64 1wgo s ILE 35 Cb -0.06 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.20 1wgo s ILE 35 CO 0.03 0.03 1.84 1.67 0.00 0.00 0.00 174.94 178.51 1wgo n GLN 36 N 5.57 0.00 0.00 2.79 -0.06 0.27 -4.15 117.38 121.79 1wgo n GLN 36 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1wgo n GLN 36 Cb 0.49 -0.93 0.00 0.00 -4.06 0.00 0.00 30.24 25.74 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 4.58 -0.95 3.53 1.69 0.00 -1.26 -4.84 105.19 107.94 1wgo n GLY 37 Ca 0.52 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 1wgo n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wgo n GLU 38 N 0.11 1.41 -4.03 1.61 4.07 -1.26 -4.94 120.64 117.61 1wgo n GLU 38 Ca 0.00 0.33 -0.23 0.00 -0.06 0.00 0.00 57.16 57.20 1wgo n GLU 38 Cb 0.00 -2.93 -0.06 0.00 -0.06 0.00 0.00 31.44 28.39 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wgo s ALA 39 N 8.72 3.58 0.00 4.31 0.00 -1.26 -5.05 121.76 132.05 1wgo s ALA 39 Ca 1.05 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1wgo s ALA 39 Cb -0.53 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1wgo s ALA 39 CO 0.39 0.04 0.00 0.28 0.00 0.00 0.00 175.76 176.47 1wgo n VAL 40 N -1.20 0.00 -3.85 0.00 0.31 -1.26 -5.07 118.33 107.26 1wgo n VAL 40 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.12 1wgo n VAL 40 Cb 0.61 -0.65 -0.17 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.77 0.34 -0.00 3.52 0.00 -1.26 -4.52 121.76 118.07 1wgo s ALA 41 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 1wgo s ALA 41 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1wgo s ALA 41 CO 0.00 -0.21 0.26 0.08 0.00 0.00 0.00 175.76 175.89 1wgo s VAL 42 N 1.37 5.31 0.33 0.00 1.01 -0.50 -4.88 120.40 123.05 1wgo s VAL 42 Ca -0.05 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1wgo s VAL 42 Cb -0.13 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1wgo s VAL 42 CO -0.03 0.39 1.14 -0.13 0.00 0.00 0.00 175.10 176.47 1wgo s ARG 43 N -1.70 4.39 -1.09 2.72 0.52 -1.26 -1.55 118.95 120.99 1wgo s ARG 43 Ca 0.27 1.83 -0.23 0.00 -0.52 0.00 0.00 55.73 57.07 1wgo s ARG 43 Cb -0.13 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 1wgo s ARG 43 CO 0.15 -0.02 1.94 -1.25 0.02 0.00 0.00 175.30 176.14 1wgo s PRO 44 N -1.85 2.51 0.00 3.54 0.04 -1.24 -2.15 135.00 135.86 1wgo s PRO 44 Ca 0.50 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1wgo s PRO 44 Cb -0.31 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.05 1wgo s PRO 44 CO 0.40 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 174.08 1wgo n GLY 45 N 6.17 1.81 3.39 0.56 0.00 0.12 -4.81 105.19 112.43 1wgo n GLY 45 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 1wgo n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgo s GLU 46 N -0.02 3.02 -0.40 1.61 2.56 -0.91 -4.62 118.70 119.93 1wgo s GLU 46 Ca 0.00 -0.94 -0.39 0.00 0.00 0.00 0.00 54.97 53.64 1wgo s GLU 46 Cb 0.00 -3.65 -0.15 0.00 2.00 0.00 0.00 34.13 32.34 1wgo s GLU 46 CO 0.00 -0.58 2.14 -0.25 -0.56 0.00 0.00 175.26 176.01 1wgo n ASP 47 N 4.98 1.60 -4.88 -1.70 8.00 -1.26 -4.44 116.55 118.85 1wgo n ASP 47 Ca -0.13 0.56 -0.33 0.00 0.71 0.00 0.00 54.79 55.60 1wgo n ASP 47 Cb 0.47 -1.11 -0.05 0.00 -0.02 0.00 0.00 41.12 40.41 1wgo n ASP 47 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wgo s VAL 48 N 6.57 5.01 -0.26 2.53 0.11 0.22 -4.73 120.40 129.85 1wgo s VAL 48 Ca 1.13 0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 60.50 1wgo s VAL 48 Cb -1.12 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 30.07 1wgo s VAL 48 CO 0.57 0.05 0.07 -0.76 -3.33 0.00 0.00 175.10 171.70 1wgo s LEU 49 N -2.53 3.50 -0.29 2.54 2.01 -1.26 -2.20 118.68 120.45 1wgo s LEU 49 Ca 0.42 -0.28 -0.05 0.00 0.01 0.00 0.00 54.13 54.23 1wgo s LEU 49 Cb -0.12 -1.92 0.02 0.00 0.01 0.00 0.00 46.19 44.18 1wgo s LEU 49 CO 0.21 -0.06 0.04 -0.36 1.01 0.00 0.00 176.35 177.20 1wgo s PHE 50 N 1.60 3.16 0.22 0.29 0.08 -1.11 -0.57 117.98 121.66 1wgo s PHE 50 Ca 0.06 -1.30 -0.30 0.00 0.12 0.00 0.00 56.93 55.51 1wgo s PHE 50 Cb -0.15 -2.20 -0.09 0.00 -0.57 0.00 0.00 43.02 40.01 1wgo s PHE 50 CO 0.03 -0.67 0.95 0.08 -0.10 0.00 0.00 175.22 175.52 1wgo s VAL 51 N 1.41 4.09 0.01 -0.44 1.01 0.11 -2.22 120.40 124.38 1wgo s VAL 51 Ca 0.00 2.05 0.06 0.00 0.00 0.00 0.00 61.98 64.09 1wgo s VAL 51 Cb -0.18 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1wgo s VAL 51 CO 0.01 0.47 -0.19 0.54 0.00 0.00 0.00 175.10 175.92 1wgo s VAL 52 N -1.01 1.48 -0.02 2.92 0.11 -1.26 -2.51 120.40 120.10 1wgo s VAL 52 Ca 0.42 -0.95 -0.28 0.00 -2.93 0.00 0.00 61.98 58.24 1wgo s VAL 52 Cb -0.26 -1.26 0.06 0.00 -1.53 0.00 0.00 36.38 33.39 1wgo s VAL 52 CO 0.32 0.29 0.62 -0.60 -3.33 0.00 0.00 175.10 172.40 1wgo s ARG 53 N -0.78 1.03 0.01 1.54 3.00 -1.26 -4.92 118.95 117.58 1wgo s ARG 53 Ca 0.07 0.12 0.04 0.00 -1.00 0.00 0.00 55.73 54.95 1wgo s ARG 53 Cb -0.08 0.48 -0.01 0.00 0.00 0.00 0.00 34.95 35.34 1wgo s ARG 53 CO 0.00 -0.34 -0.13 -1.14 0.00 0.00 0.00 175.30 173.70 1wgo s GLN 54 N -1.50 0.95 0.21 5.12 0.74 -1.25 -3.99 119.66 119.94 1wgo s GLN 54 Ca -0.10 -0.56 -0.09 0.00 0.05 0.00 0.00 55.36 54.66 1wgo s GLN 54 Cb -0.01 -0.93 0.31 0.00 1.10 0.00 0.00 33.01 33.48 1wgo s GLN 54 CO 0.07 0.24 1.74 1.49 -0.55 0.00 0.00 175.29 178.28 1wgo h GLU 55 N 5.47 0.40 0.00 1.67 4.22 -0.86 -1.06 114.58 124.42 1wgo h GLU 55 Ca -0.35 -0.02 -0.17 0.00 0.08 0.00 0.00 59.36 58.90 1wgo h GLU 55 Cb 1.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1wgo h GLU 55 CO 0.47 0.26 -0.81 1.96 -2.18 0.00 0.00 179.01 178.71 1wgo h GLN 56 N 0.41 0.01 0.00 1.92 4.20 -1.91 -3.49 115.11 116.24 1wgo h GLN 56 Ca 0.32 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1wgo h GLN 56 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wgo h GLN 56 CO -0.33 0.81 0.00 0.41 -0.67 0.00 0.00 178.83 179.05 1wgo n GLY 57 N 0.79 -0.86 0.19 3.46 0.00 -0.40 -4.17 105.19 104.19 1wgo n GLY 57 Ca -0.01 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 1wgo n GLY 57 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wgo h ASP 58 N 3.35 0.08 -1.40 1.61 3.32 -1.89 -3.43 116.42 118.05 1wgo h ASP 58 Ca 0.00 0.07 -0.42 0.00 0.02 0.00 0.00 57.03 56.70 1wgo h ASP 58 Cb 0.00 0.08 0.13 0.00 0.22 0.00 0.00 39.33 39.76 1wgo h ASP 58 CO 0.00 0.08 -0.86 0.55 -1.72 0.00 0.00 179.24 177.28 1wgo n VAL 59 N -5.06 0.00 -4.05 -1.35 3.14 -1.26 -0.87 118.33 108.88 1wgo n VAL 59 Ca 0.04 -0.35 -0.29 0.00 -2.96 0.00 0.00 64.34 60.78 1wgo n VAL 59 Cb 0.20 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.90 1wgo n VAL 59 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1wgo n LEU 60 N 1.83 -0.78 -4.11 6.55 0.00 -1.26 -4.72 117.00 114.52 1wgo n LEU 60 Ca 0.05 -1.07 -0.43 0.00 0.00 0.00 0.00 56.01 54.56 1wgo n LEU 60 Cb 0.34 -1.35 -0.02 0.00 0.00 0.00 0.00 43.42 42.39 1wgo n LEU 60 CO 0.38 0.30 -0.19 1.07 0.00 0.00 0.00 177.39 178.95 1wgo n THR 61 N -3.88 1.32 -4.17 1.96 5.66 -0.05 -4.98 114.28 110.14 1wgo n THR 61 Ca -0.16 -0.47 -0.16 0.00 -3.05 0.00 0.00 64.05 60.20 1wgo n THR 61 Cb 0.53 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.18 1wgo n THR 61 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wgo s THR 62 N -1.23 0.78 0.07 1.09 2.01 -1.26 -5.01 115.64 112.10 1wgo s THR 62 Ca 0.58 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1wgo s THR 62 Cb -0.76 -0.77 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1wgo s THR 62 CO 0.56 -0.18 1.70 -0.54 -0.69 0.00 0.00 174.62 175.47 1wgo s LYS 63 N -1.28 4.18 -0.15 4.92 -0.14 -1.26 -3.92 119.74 122.08 1wgo s LYS 63 Ca -0.04 2.39 0.02 0.00 -1.36 0.00 0.00 55.97 56.98 1wgo s LYS 63 Cb -0.08 -3.63 0.01 0.00 -1.68 0.00 0.00 37.83 32.45 1wgo s LYS 63 CO 0.01 -0.77 -0.20 0.71 -0.76 0.00 0.00 175.35 174.34 1wgo s TYR 64 N 2.77 2.58 0.32 3.18 2.02 -1.18 -3.63 117.35 123.42 1wgo s TYR 64 Ca 0.76 -1.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.00 1wgo s TYR 64 Cb -0.41 -1.79 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 1wgo s TYR 64 CO 0.33 -0.67 0.62 -1.14 -1.57 0.00 0.00 175.55 173.13 1wgo s GLN 65 N 1.05 3.69 -0.33 -0.62 0.74 0.06 -2.34 119.66 121.91 1wgo s GLN 65 Ca -0.02 0.17 -0.00 0.00 0.05 0.00 0.00 55.36 55.56 1wgo s GLN 65 Cb -0.14 -2.57 0.10 0.00 1.10 0.00 0.00 33.01 31.50 1wgo s GLN 65 CO -0.06 0.14 0.11 0.08 -0.55 0.00 0.00 175.29 175.01 1wgo s VAL 66 N -2.15 1.05 -0.42 1.34 1.01 -0.75 -3.36 120.40 117.12 1wgo s VAL 66 Ca 0.46 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 1wgo s VAL 66 Cb -0.11 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1wgo s VAL 66 CO 0.30 -0.69 0.30 -0.62 0.00 0.00 0.00 175.10 174.38 1wgo s ASP 67 N 1.42 6.02 0.02 3.32 2.15 -0.97 -2.98 116.67 125.64 1wgo s ASP 67 Ca 0.11 -1.05 -0.25 0.00 0.43 0.00 0.00 52.55 51.78 1wgo s ASP 67 Cb -0.18 -2.13 -0.17 0.00 -0.30 0.00 0.00 42.92 40.14 1wgo s ASP 67 CO -0.21 -0.49 1.41 -0.07 -0.17 0.00 0.00 175.17 175.64 1wgo h LEU 68 N 8.61 -0.17 0.00 -1.34 -0.00 -1.77 -2.34 115.31 118.29 1wgo h LEU 68 Ca -0.27 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1wgo h LEU 68 Cb 1.11 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1wgo h LEU 68 CO 0.75 0.13 0.00 0.61 -0.00 0.00 0.00 178.44 179.93 1wgo n GLY 69 N -0.42 -0.81 2.52 0.83 0.00 -1.20 -3.54 105.19 102.57 1wgo n GLY 69 Ca -0.09 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1wgo n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wgo s ASP 70 N -4.00 2.30 0.00 1.61 -1.08 -1.26 -4.86 116.67 109.38 1wgo s ASP 70 Ca 0.00 -3.23 0.00 0.00 -0.52 0.00 0.00 52.55 48.80 1wgo s ASP 70 Cb 0.00 -0.73 0.00 0.00 -1.46 0.00 0.00 42.92 40.73 1wgo s ASP 70 CO 0.00 -0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.15 1wgo n GLY 71 N 2.68 0.87 3.25 2.66 0.00 -1.26 -5.04 105.19 108.35 1wgo n GLY 71 Ca 0.27 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 2.28 -0.08 1.61 5.36 -1.26 -5.12 117.98 120.78 1wgo s PHE 72 Ca 0.00 -0.62 -0.03 0.00 -0.96 0.00 0.00 56.93 55.32 1wgo s PHE 72 Cb 0.00 -1.49 0.04 0.00 -0.34 0.00 0.00 43.02 41.23 1wgo s PHE 72 CO 0.00 -0.17 0.12 0.15 -1.46 0.00 0.00 175.22 173.86 1wgo s LYS 73 N -0.23 -0.01 0.22 10.12 1.02 -1.26 -3.26 119.74 126.34 1wgo s LYS 73 Ca -0.01 0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.31 1wgo s LYS 73 Cb -0.12 -0.48 -0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1wgo s LYS 73 CO 0.02 -0.35 0.42 0.00 -0.92 0.00 0.00 175.35 174.53 1wgo s ALA 74 N 2.24 -0.21 -0.04 5.17 0.00 -1.16 -5.07 121.76 122.68 1wgo s ALA 74 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1wgo s ALA 74 Cb -0.12 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1wgo s ALA 74 CO -0.05 -0.79 0.05 1.41 0.00 0.00 0.00 175.76 176.39 1wgo s MET 75 N -3.99 -0.03 -0.19 0.00 0.00 -1.26 -1.81 119.30 112.02 1wgo s MET 75 Ca 0.20 0.35 -0.06 0.00 0.00 0.00 0.00 55.69 56.18 1wgo s MET 75 Cb 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 34.83 34.27 1wgo s MET 75 CO 0.06 -0.32 0.03 0.71 0.00 0.00 0.00 175.02 175.50 1wgo s TYR 76 N 2.11 3.14 -0.07 4.11 2.02 -0.99 -4.94 117.35 122.73 1wgo s TYR 76 Ca 0.04 -0.14 -0.10 0.00 -0.37 0.00 0.00 57.07 56.50 1wgo s TYR 76 Cb -0.12 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 1wgo s TYR 76 CO -0.03 -0.00 0.24 0.54 -1.57 0.00 0.00 175.55 174.73 1wgo s VAL 77 N 0.59 5.33 -1.71 0.71 0.11 -1.26 -3.09 120.40 121.07 1wgo s VAL 77 Ca 0.01 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1wgo s VAL 77 Cb -0.13 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1wgo s VAL 77 CO 0.02 0.60 0.00 0.59 -3.33 0.00 0.00 175.10 172.98 1wgo n ASN 78 N 1.92 -5.23 -0.31 3.54 3.02 -1.25 -4.86 115.26 112.08 1wgo n ASN 78 Ca -0.18 0.18 0.14 0.00 -0.03 0.00 0.00 54.58 54.70 1wgo n ASN 78 Cb 0.54 -4.31 0.32 0.00 -0.61 0.00 0.00 39.78 35.71 1wgo n ASN 78 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wgo h LEU 79 N 0.00 0.28 -1.42 3.41 5.85 -1.85 0.58 115.31 122.16 1wgo h LEU 79 Ca -0.40 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1wgo h LEU 79 Cb 1.26 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1wgo h LEU 79 CO 0.52 -0.04 0.06 0.71 -0.34 0.00 0.00 178.44 179.35 1wgo h THR 80 N 0.35 1.15 0.79 1.05 1.35 -1.91 -1.44 112.91 114.26 1wgo h THR 80 Ca 0.57 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 65.85 1wgo h THR 80 Cb 1.13 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1wgo h THR 80 CO -0.56 0.20 -0.41 0.25 -0.25 0.00 0.00 175.52 174.75 1wgo h LEU 81 N 0.44 -0.98 -1.97 3.87 6.46 -0.17 -2.80 115.31 120.16 1wgo h LEU 81 Ca 0.11 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1wgo h LEU 81 Cb 0.19 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1wgo h LEU 81 CO -0.00 -0.67 -0.05 0.71 -0.62 0.00 0.00 178.44 177.81 1wgo h THR 82 N -1.09 0.95 -5.12 1.05 1.35 -1.45 -3.47 112.91 105.14 1wgo h THR 82 Ca -0.11 -0.17 -0.35 0.00 -0.55 0.00 0.00 66.41 65.23 1wgo h THR 82 Cb 0.85 1.09 0.12 0.00 -1.73 0.00 0.00 68.15 68.48 1wgo h THR 82 CO 0.16 0.05 -0.58 0.61 -0.25 0.00 0.00 175.52 175.50 1wgo n GLY 83 N -1.35 -0.34 3.61 5.82 0.00 -0.55 -5.01 105.19 107.38 1wgo n GLY 83 Ca -0.03 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1wgo n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgo s GLU 84 N -6.11 2.82 0.94 1.61 0.41 -1.25 -5.07 118.70 112.05 1wgo s GLU 84 Ca 0.50 -0.50 -0.12 0.00 -0.41 0.00 0.00 54.97 54.43 1wgo s GLU 84 Cb -0.22 -2.65 0.15 0.00 -1.78 0.00 0.00 34.13 29.63 1wgo s GLU 84 CO 0.61 0.68 1.09 -1.25 -0.49 0.00 0.00 175.26 175.90 1wgo s PRO 85 N -0.83 0.93 -0.64 0.39 0.04 -1.26 -4.83 135.00 128.80 1wgo s PRO 85 Ca 0.13 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 61.78 1wgo s PRO 85 Cb -0.11 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.82 1wgo s PRO 85 CO 0.02 -2.44 0.53 0.42 0.04 0.00 0.00 177.00 175.57 1wgo s ILE 86 N -2.95 4.58 -0.24 0.56 1.01 -0.94 -4.91 121.20 118.31 1wgo s ILE 86 Ca 0.64 -2.37 -0.23 0.00 0.00 0.00 0.00 60.65 58.69 1wgo s ILE 86 Cb -0.18 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1wgo s ILE 86 CO 0.57 -0.90 0.74 -0.60 0.00 0.00 0.00 174.94 174.76 1wgo s ARG 87 N 0.52 4.16 -0.28 2.79 3.52 -1.25 -2.77 118.95 125.65 1wgo s ARG 87 Ca 0.13 0.78 -0.20 0.00 -0.13 0.00 0.00 55.73 56.31 1wgo s ARG 87 Cb -0.19 -3.64 0.08 0.00 -1.56 0.00 0.00 34.95 29.64 1wgo s ARG 87 CO -0.04 -0.46 0.74 -1.58 -0.81 0.00 0.00 175.30 173.15 1wgo s HIS 88 N 2.65 -0.88 0.26 5.12 2.46 -0.93 -4.90 115.29 119.06 1wgo s HIS 88 Ca 0.31 1.92 0.07 0.00 0.47 0.00 0.00 55.06 57.84 1wgo s HIS 88 Cb -0.15 0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 32.71 1wgo s HIS 88 CO 0.08 -0.43 0.19 -0.98 -2.47 0.00 0.00 174.74 171.13 1wgo s ARG 89 N 1.00 2.88 -0.34 2.88 1.70 -1.26 -0.61 118.95 125.20 1wgo s ARG 89 Ca -0.05 -1.09 -0.13 0.00 -0.47 0.00 0.00 55.73 54.00 1wgo s ARG 89 Cb -0.05 -2.54 -0.01 0.00 -0.57 0.00 0.00 34.95 31.78 1wgo s ARG 89 CO -0.10 0.38 0.23 0.71 -1.08 0.00 0.00 175.30 175.44 1wgo s TYR 90 N -2.16 3.22 0.27 5.89 2.02 -1.26 -4.89 117.35 120.45 1wgo s TYR 90 Ca 0.33 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 1wgo s TYR 90 Cb -0.08 -2.47 0.50 0.00 -0.40 0.00 0.00 41.96 39.51 1wgo s TYR 90 CO 0.25 -0.39 1.81 1.05 -1.57 0.00 0.00 175.55 176.70 1wgo h GLU 91 N 8.48 0.82 -5.48 -0.62 4.11 -1.93 0.34 114.58 120.30 1wgo h GLU 91 Ca -0.31 -0.05 -0.43 0.00 0.07 0.00 0.00 59.36 58.64 1wgo h GLU 91 Cb 1.15 -0.19 -0.20 0.00 0.50 0.00 0.00 28.75 30.02 1wgo h GLU 91 CO 0.64 0.54 -0.77 -1.54 0.07 0.00 0.00 179.01 177.95 1wgo s SER 92 N -5.60 1.94 1.10 3.06 1.04 -1.26 -4.70 113.70 109.27 1wgo s SER 92 Ca -0.12 -0.72 -0.16 0.00 0.48 0.00 0.00 55.95 55.43 1wgo s SER 92 Cb 0.21 -0.07 0.24 0.00 0.10 0.00 0.00 66.02 66.50 1wgo s SER 92 CO 0.79 -0.09 1.10 -2.16 0.98 0.00 0.00 173.24 173.86 1wgo s PRO 93 N -2.22 -0.39 0.00 4.02 0.04 -1.26 -4.85 135.00 130.34 1wgo s PRO 93 Ca 0.04 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1wgo s PRO 93 Cb -0.07 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1wgo s PRO 93 CO 0.03 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.26 1wgo n GLY 94 N -1.01 3.88 3.67 0.56 0.00 -1.08 -5.03 105.19 106.17 1wgo n GLY 94 Ca 0.09 -1.35 -0.54 0.00 0.00 0.00 0.00 46.02 44.21 1wgo n GLY 94 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wgo n ILE 95 N -0.00 0.23 -4.17 -0.61 -0.00 -1.26 -4.32 119.36 109.23 1wgo n ILE 95 Ca 0.00 -0.04 -0.30 0.00 -0.00 0.00 0.00 62.75 62.41 1wgo n ILE 95 Cb 0.00 -1.19 -0.09 0.00 -0.00 0.00 0.00 39.64 38.36 1wgo n ILE 95 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1wgo s TYR 96 N 2.60 2.90 -0.35 1.39 2.02 -0.05 -4.98 117.35 120.87 1wgo s TYR 96 Ca 0.93 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 57.44 1wgo s TYR 96 Cb -0.98 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1wgo s TYR 96 CO 0.57 0.46 0.21 1.03 -1.57 0.00 0.00 175.55 176.25 1wgo s ARG 97 N -2.25 3.12 -0.12 -0.62 0.52 -1.24 -1.71 118.95 116.65 1wgo s ARG 97 Ca 0.24 -0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 54.48 1wgo s ARG 97 Cb -0.11 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 1wgo s ARG 97 CO 0.16 -0.57 0.18 0.08 0.02 0.00 0.00 175.30 175.17 1wgo s VAL 98 N 1.62 5.42 0.19 3.52 1.01 0.15 -3.21 120.40 129.09 1wgo s VAL 98 Ca 0.04 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1wgo s VAL 98 Cb -0.18 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1wgo s VAL 98 CO 0.08 0.56 0.25 -0.94 0.00 0.00 0.00 175.10 175.04 1wgo s SER 99 N -0.64 0.08 -0.25 3.32 1.04 -0.88 0.28 113.70 116.65 1wgo s SER 99 Ca 0.15 -1.09 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 1wgo s SER 99 Cb -0.12 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.55 1wgo s SER 99 CO 0.04 -0.91 0.31 0.54 0.98 0.00 0.00 173.24 174.20 1wgo s VAL 100 N -4.05 -0.47 0.41 5.02 0.11 -1.07 -2.30 120.40 118.06 1wgo s VAL 100 Ca 0.26 -0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 1wgo s VAL 100 Cb 0.04 -0.84 -0.08 0.00 -1.53 0.00 0.00 36.38 33.97 1wgo s VAL 100 CO 0.06 -0.26 0.85 -0.60 -3.33 0.00 0.00 175.10 171.82 1wgo s ARG 101 N 2.43 3.97 -0.28 1.54 3.52 -1.21 -2.32 118.95 126.59 1wgo s ARG 101 Ca 0.10 0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 56.39 1wgo s ARG 101 Cb -0.15 -2.30 0.13 0.00 -1.56 0.00 0.00 34.95 31.07 1wgo s ARG 101 CO -0.21 -0.04 0.61 0.00 -0.81 0.00 0.00 175.30 174.85 1wgo s ALA 102 N -2.29 -1.92 -0.20 6.12 0.00 0.02 -0.76 121.76 122.72 1wgo s ALA 102 Ca 0.56 2.16 -0.05 0.00 0.00 0.00 0.00 51.96 54.63 1wgo s ALA 102 Cb -0.10 -1.74 0.08 0.00 0.00 0.00 0.00 23.12 21.35 1wgo s ALA 102 CO 0.24 -0.94 0.12 -2.00 0.00 0.00 0.00 175.76 173.18 1wgo s GLU 103 N 2.85 0.11 0.38 0.00 2.12 -1.24 0.71 118.70 123.64 1wgo s GLU 103 Ca -0.03 -0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.24 1wgo s GLU 103 Cb -0.12 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.65 1wgo s GLU 103 CO -0.18 -0.75 0.21 1.21 -0.54 0.00 0.00 175.26 175.21 1wgo s ASN 104 N 2.16 4.67 0.19 -1.70 2.47 0.21 -4.55 114.94 118.39 1wgo s ASN 104 Ca 0.04 -0.88 -0.19 0.00 0.42 0.00 0.00 52.86 52.25 1wgo s ASN 104 Cb -0.16 -0.60 0.15 0.00 -1.45 0.00 0.00 41.25 39.19 1wgo s ASN 104 CO -0.16 -0.47 1.59 0.74 -3.72 0.00 0.00 177.10 175.08 1wgo h THR 105 N 1.39 0.21 0.00 -5.21 2.02 -1.95 -2.96 112.91 106.41 1wgo h THR 105 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1wgo h THR 105 Cb 1.26 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1wgo h THR 105 CO 0.65 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.54 1wgo n ALA 106 N -3.13 -0.42 -3.00 6.16 0.00 -1.26 -4.98 120.51 113.88 1wgo n ALA 106 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wgo n ALA 106 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wgo n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgo n GLY 107 N -0.95 5.16 3.35 0.00 0.00 -1.12 -4.76 105.19 106.88 1wgo n GLY 107 Ca 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.90 -0.46 0.14 1.61 -3.43 -1.26 0.64 115.29 111.63 1wgo s HIS 108 Ca 0.00 1.05 -0.01 0.00 -0.80 0.00 0.00 55.06 55.30 1wgo s HIS 108 Cb 0.00 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 1wgo s HIS 108 CO 0.00 -0.30 0.05 0.34 -2.00 0.00 0.00 174.74 172.83 1wgo s ASP 109 N -0.16 0.48 0.03 7.38 2.15 0.22 -4.92 116.67 121.84 1wgo s ASP 109 Ca -0.03 -1.20 -0.24 0.00 0.43 0.00 0.00 52.55 51.50 1wgo s ASP 109 Cb -0.03 0.26 0.06 0.00 -0.30 0.00 0.00 42.92 42.91 1wgo s ASP 109 CO 0.02 -0.70 0.56 -0.70 -0.17 0.00 0.00 175.17 174.18 1wgo s GLU 110 N -4.03 1.04 0.28 4.34 2.12 -1.26 -0.80 118.70 120.39 1wgo s GLU 110 Ca 0.24 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1wgo s GLU 110 Cb 0.07 0.48 -0.05 0.00 0.26 0.00 0.00 34.13 34.89 1wgo s GLU 110 CO 0.02 -0.37 0.10 0.00 -0.54 0.00 0.00 175.26 174.47 1wgo s ALA 111 N -2.15 1.87 -0.00 6.30 0.00 -0.98 -4.99 121.76 121.81 1wgo s ALA 111 Ca -0.07 -1.87 -0.04 0.00 0.00 0.00 0.00 51.96 49.99 1wgo s ALA 111 Cb -0.01 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 1wgo s ALA 111 CO 0.01 -0.44 0.07 0.08 0.00 0.00 0.00 175.76 175.48 1wgo s VAL 112 N -3.66 0.07 -0.20 0.00 1.01 -1.26 -2.59 120.40 113.77 1wgo s VAL 112 Ca 0.37 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1wgo s VAL 112 Cb 0.08 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 36.22 1wgo s VAL 112 CO 0.14 -0.32 0.49 -0.22 0.00 0.00 0.00 175.10 175.20 1wgo s LEU 113 N -1.03 -0.17 -0.10 3.92 0.20 0.14 -4.92 118.68 116.72 1wgo s LEU 113 Ca -0.11 1.05 -0.06 0.00 0.69 0.00 0.00 54.13 55.70 1wgo s LEU 113 Cb -0.07 1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 47.33 1wgo s LEU 113 CO 0.00 -0.19 0.12 -0.36 -0.29 0.00 0.00 176.35 175.63 1wgo s PHE 114 N 1.01 3.51 -0.09 5.38 0.40 -1.26 0.30 117.98 127.22 1wgo s PHE 114 Ca -0.06 0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1wgo s PHE 114 Cb -0.06 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.59 1wgo s PHE 114 CO -0.09 0.68 -0.11 0.08 0.70 0.00 0.00 175.22 176.48 1wgo s VAL 115 N -1.04 1.16 -0.47 -0.44 1.01 -0.70 -4.95 120.40 114.98 1wgo s VAL 115 Ca 0.16 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1wgo s VAL 115 Cb -0.12 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.23 1wgo s VAL 115 CO 0.05 0.38 0.38 -1.58 0.00 0.00 0.00 175.10 174.33 1wgo s GLN 116 N 1.15 2.91 -0.46 2.72 0.74 -1.26 -0.87 119.66 124.59 1wgo s GLN 116 Ca -0.05 -1.39 -0.19 0.00 0.05 0.00 0.00 55.36 53.78 1wgo s GLN 116 Cb -0.14 -4.08 0.04 0.00 1.10 0.00 0.00 33.01 29.92 1wgo s GLN 116 CO -0.02 -1.03 0.55 0.54 -0.55 0.00 0.00 175.29 174.77 1wgo s VAL 117 N 1.60 4.96 0.58 1.34 0.11 -1.26 -1.40 120.40 126.33 1wgo s VAL 117 Ca 0.04 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 1wgo s VAL 117 Cb -0.24 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.39 1wgo s VAL 117 CO 0.06 -0.60 1.13 -0.24 -3.33 0.00 0.00 175.10 172.12 1wgo n SER 118 N 5.93 1.55 -4.13 3.54 2.88 -0.59 -2.62 113.62 120.17 1wgo n SER 118 Ca -0.06 0.87 -0.21 0.00 -1.33 0.00 0.00 58.87 58.15 1wgo n SER 118 Cb 0.47 -1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 62.45 1wgo n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgo n GLY 119 N 1.07 3.02 0.00 0.46 0.00 -1.26 -3.69 105.19 104.79 1wgo n GLY 119 Ca 0.13 -2.28 0.07 0.00 0.00 0.00 0.00 46.02 43.93 1wgo n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgo n PRO 120 N -1.37 0.49 -3.19 1.61 -0.04 -1.26 -4.75 135.00 126.50 1wgo n PRO 120 Ca -0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 1wgo n PRO 120 Cb 0.48 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1wgo n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgo s SER 121 N -1.93 7.03 -0.13 3.54 1.04 -1.26 -5.08 113.70 116.92 1wgo s SER 121 Ca 0.20 1.32 -0.25 0.00 0.48 0.00 0.00 55.95 57.71 1wgo s SER 121 Cb 0.09 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.89 1wgo s SER 121 CO 0.15 0.11 0.61 -0.55 0.98 0.00 0.00 173.24 174.54 1wgo s SER 122 N -1.53 -0.59 0.00 7.02 0.15 -1.26 -5.14 113.70 112.35 1wgo s SER 122 Ca 0.38 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1wgo s SER 122 Cb -0.17 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1wgo s SER 122 CO 0.21 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.84