#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 5.57 -0.24 1.61 0.01 -1.26 -5.04 113.70 114.35 1wgo s SER 2 Ca 0.00 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.19 1wgo s SER 2 Cb 0.00 -1.51 -0.12 0.00 0.21 0.00 0.00 66.02 64.60 1wgo s SER 2 CO 0.00 0.18 -0.28 -1.20 0.41 0.00 0.00 173.24 172.35 1wgo n SER 3 N 0.52 1.87 0.00 2.44 7.64 -1.26 -4.99 113.62 119.84 1wgo n SER 3 Ca -0.09 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1wgo n SER 3 Cb 0.52 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1wgo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgo n GLY 4 N 1.76 1.76 3.37 0.23 0.00 -1.26 -4.63 105.19 106.43 1wgo n GLY 4 Ca -0.45 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1wgo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgo s SER 5 N -4.00 -0.06 0.22 1.61 0.01 -1.26 -5.18 113.70 105.04 1wgo s SER 5 Ca 0.00 -0.69 -0.22 0.00 1.31 0.00 0.00 55.95 56.35 1wgo s SER 5 Cb 0.00 0.47 0.07 0.00 0.21 0.00 0.00 66.02 66.76 1wgo s SER 5 CO 0.00 -0.92 0.95 -0.44 0.41 0.00 0.00 173.24 173.24 1wgo s SER 6 N -2.92 -0.07 0.00 2.44 0.01 -1.26 -5.18 113.70 106.73 1wgo s SER 6 Ca 0.12 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1wgo s SER 6 Cb 0.02 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1wgo s SER 6 CO -0.03 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1wgo n GLY 7 N -0.58 0.86 3.08 3.44 0.00 -1.26 -5.13 105.19 105.60 1wgo n GLY 7 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 2.61 4.08 1.28 0.00 2.56 -1.26 -5.03 118.70 122.94 1wgo s GLU 9 Ca 0.08 1.00 -0.21 0.00 0.00 0.00 0.00 54.97 55.84 1wgo s GLU 9 Cb -0.14 -3.71 0.32 0.00 2.00 0.00 0.00 34.13 32.59 1wgo s GLU 9 CO -0.15 -0.79 1.06 0.20 -0.56 0.00 0.00 175.26 175.02 1wgo s GLY 10 N 1.55 1.54 0.00 -1.50 0.00 -1.26 -5.07 107.32 102.58 1wgo s GLY 10 Ca 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1wgo s GLY 10 CO 0.13 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.80 1wgo n GLY 11 N -0.34 4.37 3.20 0.20 0.00 -1.26 -5.17 105.19 106.20 1wgo n GLY 11 Ca 0.14 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1wgo n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgo s VAL 12 N 3.08 -0.36 -0.52 1.61 0.11 -1.26 -5.12 120.40 117.93 1wgo s VAL 12 Ca 0.00 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 1wgo s VAL 12 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1wgo s VAL 12 CO 0.00 0.00 0.59 -0.62 -3.33 0.00 0.00 175.10 171.74 1wgo s ASP 13 N 2.76 6.20 0.05 3.54 2.15 -1.26 -5.03 116.67 125.08 1wgo s ASP 13 Ca -0.00 -1.20 -0.03 0.00 0.43 0.00 0.00 52.55 51.75 1wgo s ASP 13 Cb -0.09 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.24 1wgo s ASP 13 CO -0.13 -0.90 0.03 -0.32 -0.17 0.00 0.00 175.17 173.68 1wgo s MET 14 N 2.36 0.59 0.25 4.34 1.75 -1.26 -5.17 119.30 122.16 1wgo s MET 14 Ca 0.11 -0.97 0.09 0.00 -1.25 0.00 0.00 55.69 53.67 1wgo s MET 14 Cb -0.22 0.22 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 1wgo s MET 14 CO 0.09 -0.13 0.01 1.14 -0.65 0.00 0.00 175.02 175.48 1wgo s GLN 15 N -3.20 2.36 -0.21 4.11 -2.07 -1.26 -5.12 119.66 114.27 1wgo s GLN 15 Ca 0.00 -1.33 -0.09 0.00 -1.82 0.00 0.00 55.36 52.13 1wgo s GLN 15 Cb 0.03 -2.23 -0.04 0.00 -1.09 0.00 0.00 33.01 29.68 1wgo s GLN 15 CO -0.07 0.39 0.10 -0.65 -1.32 0.00 0.00 175.29 173.73 1wgo s GLN 16 N -3.53 3.98 -0.00 9.60 -0.21 -1.26 -5.09 119.66 123.15 1wgo s GLN 16 Ca 0.31 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1wgo s GLN 16 Cb -0.07 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.59 1wgo s GLN 16 CO 0.20 0.14 -0.00 -1.54 -2.12 0.00 0.00 175.29 171.97 1wgo s SER 17 N 0.77 0.08 -0.71 5.90 1.04 -1.26 -5.11 113.70 114.41 1wgo s SER 17 Ca 0.05 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 1wgo s SER 17 Cb -0.13 -0.02 0.16 0.00 0.10 0.00 0.00 66.02 66.13 1wgo s SER 17 CO 0.02 -0.01 0.71 -1.58 0.98 0.00 0.00 173.24 173.36 1wgo s GLN 18 N 0.12 3.32 -0.07 4.02 0.74 -1.26 -5.00 119.66 121.53 1wgo s GLN 18 Ca -0.01 -1.97 -0.03 0.00 0.05 0.00 0.00 55.36 53.40 1wgo s GLN 18 Cb -0.02 -4.41 0.04 0.00 1.10 0.00 0.00 33.01 29.72 1wgo s GLN 18 CO -0.00 -1.39 0.07 0.08 -0.55 0.00 0.00 175.29 173.50 1wgo s VAL 19 N 1.28 -0.11 -0.32 1.34 1.01 -1.26 -5.11 120.40 117.22 1wgo s VAL 19 Ca 0.14 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1wgo s VAL 19 Cb -0.18 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.04 1wgo s VAL 19 CO -0.03 0.07 0.07 -1.10 0.00 0.00 0.00 175.10 174.11 1wgo s GLN 20 N 2.17 1.11 0.07 2.72 -1.52 -1.26 -5.10 119.66 117.85 1wgo s GLN 20 Ca 0.04 -1.48 -0.36 0.00 -1.95 0.00 0.00 55.36 51.61 1wgo s GLN 20 Cb -0.13 -2.61 -0.16 0.00 -0.22 0.00 0.00 33.01 29.89 1wgo s GLN 20 CO -0.05 -0.96 1.42 1.28 -0.25 0.00 0.00 175.29 176.73 1wgo n LEU 21 N 4.55 1.98 -4.77 2.90 4.77 -1.26 -4.88 117.00 120.28 1wgo n LEU 21 Ca 0.01 1.11 -0.40 0.00 -0.03 0.00 0.00 56.01 56.69 1wgo n LEU 21 Cb 0.42 -1.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1wgo n LEU 21 CO 0.17 -0.85 1.00 -1.58 -1.33 0.00 0.00 177.39 174.79 1wgo s GLN 22 N 0.82 4.11 0.16 3.23 0.74 -1.26 -5.03 119.66 122.43 1wgo s GLN 22 Ca 0.84 2.26 0.07 0.00 0.05 0.00 0.00 55.36 58.59 1wgo s GLN 22 Cb -0.91 -2.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 1wgo s GLN 22 CO 0.46 -0.41 -0.03 0.00 -0.55 0.00 0.00 175.29 174.77 1wgo s PRO 24 N -2.78 0.20 0.07 0.00 0.04 -1.26 -5.07 135.00 126.19 1wgo s PRO 24 Ca 0.26 0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.84 1wgo s PRO 24 Cb -0.10 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1wgo s PRO 24 CO 0.17 -2.87 -0.25 -0.48 0.04 0.00 0.00 177.00 173.61 1wgo s LEU 25 N -6.53 2.29 0.03 -3.56 2.34 -1.26 -5.13 118.68 106.86 1wgo s LEU 25 Ca 0.66 -0.60 -0.02 0.00 0.06 0.00 0.00 54.13 54.23 1wgo s LEU 25 Cb -0.18 -1.32 -0.04 0.00 -0.56 0.00 0.00 46.19 44.09 1wgo s LEU 25 CO 0.58 0.24 0.21 0.42 -1.06 0.00 0.00 176.35 176.74 1wgo s THR 26 N -0.90 5.39 0.72 5.48 -4.23 -1.26 -4.89 115.64 115.95 1wgo s THR 26 Ca 0.13 -0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 1wgo s THR 26 Cb -0.10 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.18 1wgo s THR 26 CO 0.04 0.24 1.10 -2.16 -0.54 0.00 0.00 174.62 173.30 1wgo s PRO 27 N -2.19 2.52 0.18 3.99 0.04 -1.26 -4.11 135.00 134.16 1wgo s PRO 27 Ca 0.31 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1wgo s PRO 27 Cb -0.13 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1wgo s PRO 27 CO 0.23 -1.46 1.31 -1.25 0.04 0.00 0.00 177.00 175.87 1wgo s PRO 28 N -4.51 4.38 -0.02 0.56 0.04 -1.26 -4.57 135.00 129.63 1wgo s PRO 28 Ca 0.64 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.58 1wgo s PRO 28 Cb -0.19 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1wgo s PRO 28 CO 0.49 -0.28 0.29 1.03 0.04 0.00 0.00 177.00 178.58 1wgo s ARG 29 N 0.13 0.64 0.00 4.56 1.81 -1.26 -4.63 118.95 120.19 1wgo s ARG 29 Ca 0.58 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 54.41 1wgo s ARG 29 Cb -0.36 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.42 1wgo s ARG 29 CO 0.36 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 1wgo n GLY 30 N 1.37 0.30 3.64 -3.53 0.00 -1.26 0.39 105.19 106.11 1wgo n GLY 30 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 4.00 0.09 0.99 1.98 -1.26 -1.63 118.68 122.85 1wgo s LEU 31 Ca 0.00 1.79 -0.10 0.00 -2.89 0.00 0.00 54.13 52.92 1wgo s LEU 31 Cb 0.00 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.33 1wgo s LEU 31 CO 0.00 -1.18 0.24 -1.58 -1.89 0.00 0.00 176.35 171.94 1wgo s GLN 32 N 4.53 0.88 0.25 1.98 0.74 -0.76 -4.50 119.66 122.78 1wgo s GLN 32 Ca 0.72 -0.87 0.08 0.00 0.05 0.00 0.00 55.36 55.33 1wgo s GLN 32 Cb -0.27 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1wgo s GLN 32 CO 0.29 -0.29 0.14 0.14 -0.55 0.00 0.00 175.29 175.02 1wgo s VAL 33 N -3.73 4.20 0.14 1.34 -7.23 -1.26 -2.53 120.40 111.32 1wgo s VAL 33 Ca 0.04 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1wgo s VAL 33 Cb 0.04 -3.25 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1wgo s VAL 33 CO -0.11 -0.34 0.23 -0.55 -0.31 0.00 0.00 175.10 174.03 1wgo s SER 34 N -3.74 0.09 -0.26 4.85 0.15 0.17 -4.94 113.70 110.02 1wgo s SER 34 Ca 0.32 -0.83 -0.15 0.00 0.70 0.00 0.00 55.95 55.99 1wgo s SER 34 Cb -0.08 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1wgo s SER 34 CO 0.23 -0.82 0.38 -0.63 1.20 0.00 0.00 173.24 173.60 1wgo s ILE 35 N -3.94 5.17 -0.90 6.45 1.01 -1.26 0.97 121.20 128.70 1wgo s ILE 35 Ca 0.14 0.60 -0.27 0.00 0.00 0.00 0.00 60.65 61.12 1wgo s ILE 35 Cb 0.04 -3.71 -0.21 0.00 0.01 0.00 0.00 42.46 38.60 1wgo s ILE 35 CO -0.03 0.16 2.56 1.67 0.00 0.00 0.00 174.94 179.30 1wgo n GLN 36 N 5.27 0.21 -0.42 2.79 -0.06 -0.61 -4.02 117.38 120.54 1wgo n GLN 36 Ca -0.08 -0.04 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 1wgo n GLN 36 Cb 0.51 -1.87 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 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 6.28 -2.67 3.53 1.69 0.00 -1.26 -4.85 105.19 107.91 1wgo n GLY 37 Ca 0.60 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 45.31 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 0.58 1.51 -4.20 1.61 2.13 -1.26 -4.94 120.64 116.08 1wgo n GLU 38 Ca 0.00 0.39 -0.25 0.00 0.66 0.00 0.00 57.16 57.96 1wgo n GLU 38 Cb 0.00 -2.91 -0.07 0.00 0.27 0.00 0.00 31.44 28.73 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wgo s ALA 39 N 8.18 3.28 -0.12 4.31 0.00 -1.26 -5.07 121.76 131.08 1wgo s ALA 39 Ca 1.05 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1wgo s ALA 39 Cb -0.55 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1wgo s ALA 39 CO 0.40 0.42 -0.25 0.28 0.00 0.00 0.00 175.76 176.61 1wgo n VAL 40 N -0.41 1.21 -3.74 0.00 0.31 -1.26 -5.00 118.33 109.44 1wgo n VAL 40 Ca -0.09 0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 64.23 1wgo n VAL 40 Cb 0.56 -2.11 -0.17 0.00 -0.91 0.00 0.00 33.84 31.21 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 -2.81 0.65 0.30 3.52 0.00 -1.26 -4.75 121.76 117.40 1wgo s ALA 41 Ca -0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1wgo s ALA 41 Cb 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1wgo s ALA 41 CO 0.31 -0.61 0.51 0.08 0.00 0.00 0.00 175.76 176.04 1wgo s VAL 42 N 2.00 5.12 0.20 0.00 1.01 -0.95 -4.92 120.40 122.86 1wgo s VAL 42 Ca 0.04 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1wgo s VAL 42 Cb -0.13 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1wgo s VAL 42 CO -0.06 -0.42 0.64 -0.13 0.00 0.00 0.00 175.10 175.13 1wgo s ARG 43 N -3.95 4.08 -0.91 2.72 3.00 -1.26 -2.57 118.95 120.06 1wgo s ARG 43 Ca 0.40 0.64 -0.25 0.00 0.00 0.00 0.00 55.73 56.53 1wgo s ARG 43 Cb -0.10 -2.84 -0.05 0.00 0.00 0.00 0.00 34.95 31.96 1wgo s ARG 43 CO 0.33 0.40 1.94 -1.25 0.00 0.00 0.00 175.30 176.73 1wgo s PRO 44 N -2.12 2.56 0.00 3.54 0.04 -1.26 -3.07 135.00 134.69 1wgo s PRO 44 Ca 0.42 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1wgo s PRO 44 Cb -0.15 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1wgo s PRO 44 CO 0.20 -3.38 0.00 0.41 0.04 0.00 0.00 177.00 174.27 1wgo n GLY 45 N 6.84 0.71 3.16 0.56 0.00 0.76 -4.75 105.19 112.47 1wgo n GLY 45 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.84 -0.32 1.61 8.01 -1.17 -4.89 118.70 123.77 1wgo s GLU 46 Ca 0.00 -0.65 -0.29 0.00 0.01 0.00 0.00 54.97 54.05 1wgo s GLU 46 Cb 0.00 -1.61 -0.02 0.00 -4.31 0.00 0.00 34.13 28.19 1wgo s GLU 46 CO 0.00 0.28 1.73 0.16 0.01 0.00 0.00 175.26 177.43 1wgo s ASP 47 N -0.04 6.02 0.02 -0.19 -4.77 -1.26 -4.30 116.67 112.16 1wgo s ASP 47 Ca -0.03 1.30 -0.03 0.00 -3.30 0.00 0.00 52.55 50.50 1wgo s ASP 47 Cb -0.11 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.15 1wgo s ASP 47 CO 0.02 -1.60 0.21 0.54 0.70 0.00 0.00 175.17 175.04 1wgo s VAL 48 N 6.44 5.39 -0.11 2.11 0.11 0.97 -4.88 120.40 130.43 1wgo s VAL 48 Ca 0.77 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1wgo s VAL 48 Cb -0.22 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 1wgo s VAL 48 CO 0.33 0.27 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.58 1wgo s LEU 49 N -2.11 3.38 -0.27 2.54 2.01 -1.26 -1.74 118.68 121.24 1wgo s LEU 49 Ca 0.30 0.01 -0.02 0.00 0.01 0.00 0.00 54.13 54.42 1wgo s LEU 49 Cb -0.13 -1.78 0.03 0.00 0.01 0.00 0.00 46.19 44.32 1wgo s LEU 49 CO 0.21 0.29 -0.03 -0.36 1.01 0.00 0.00 176.35 177.47 1wgo s PHE 50 N -0.36 3.12 0.27 0.29 0.08 -0.87 -1.58 117.98 118.93 1wgo s PHE 50 Ca 0.06 -1.54 -0.27 0.00 0.12 0.00 0.00 56.93 55.31 1wgo s PHE 50 Cb -0.12 -2.10 -0.09 0.00 -0.57 0.00 0.00 43.02 40.14 1wgo s PHE 50 CO 0.02 -0.72 0.91 0.08 -0.10 0.00 0.00 175.22 175.40 1wgo s VAL 51 N 1.33 4.22 -0.23 -0.44 1.01 0.27 -1.96 120.40 124.60 1wgo s VAL 51 Ca -0.01 1.85 0.02 0.00 0.00 0.00 0.00 61.98 63.84 1wgo s VAL 51 Cb -0.17 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1wgo s VAL 51 CO -0.03 0.29 -0.11 0.54 0.00 0.00 0.00 175.10 175.79 1wgo s VAL 52 N -1.43 1.94 0.01 2.92 0.11 -1.26 -0.65 120.40 122.03 1wgo s VAL 52 Ca 0.45 -1.33 -0.11 0.00 -2.93 0.00 0.00 61.98 58.07 1wgo s VAL 52 Cb -0.21 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1wgo s VAL 52 CO 0.26 0.09 0.22 -0.60 -3.33 0.00 0.00 175.10 171.74 1wgo s ARG 53 N 1.24 0.63 0.23 1.54 3.52 -1.05 -4.62 118.95 120.44 1wgo s ARG 53 Ca -0.05 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.21 1wgo s ARG 53 Cb -0.18 0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.43 1wgo s ARG 53 CO -0.07 -0.17 -0.13 1.14 -0.81 0.00 0.00 175.30 175.25 1wgo s GLN 54 N -1.82 1.42 -0.20 5.12 -2.07 -1.26 -1.83 119.66 119.01 1wgo s GLN 54 Ca -0.11 -1.65 -0.20 0.00 -1.82 0.00 0.00 55.36 51.57 1wgo s GLN 54 Cb -0.04 -1.21 -0.18 0.00 -1.09 0.00 0.00 33.01 30.49 1wgo s GLN 54 CO 0.00 0.17 0.18 0.93 -1.32 0.00 0.00 175.29 175.25 1wgo h GLU 55 N 2.46 0.00 0.00 9.60 4.39 -1.42 -3.42 114.58 126.19 1wgo h GLU 55 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1wgo h GLU 55 Cb 1.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1wgo h GLU 55 CO 0.63 0.91 -0.27 0.00 -1.16 0.00 0.00 179.01 179.12 1wgo n GLN 56 N -4.45 0.73 -0.69 2.33 0.00 -0.83 -4.87 117.38 109.61 1wgo n GLN 56 Ca -0.30 -1.97 -0.06 0.00 0.00 0.00 0.00 57.00 54.67 1wgo n GLN 56 Cb 0.65 -1.04 -0.08 0.00 0.00 0.00 0.00 30.24 29.76 1wgo n GLN 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wgo n GLY 57 N -0.77 2.54 0.35 2.61 0.00 0.16 -4.08 105.19 106.02 1wgo n GLY 57 Ca 0.09 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 2.48 0.00 -1.27 1.61 5.19 -1.86 -3.44 116.42 119.13 1wgo h ASP 58 Ca 0.09 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 56.08 1wgo h ASP 58 Cb 1.14 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.77 1wgo h ASP 58 CO 0.15 0.00 -0.73 0.55 -3.12 0.00 0.00 179.24 176.09 1wgo n VAL 59 N -3.37 0.22 -1.03 -1.35 3.14 -1.26 -4.92 118.33 109.77 1wgo n VAL 59 Ca 0.01 -0.35 -0.20 0.00 -2.96 0.00 0.00 64.34 60.85 1wgo n VAL 59 Cb 0.40 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 33.34 1wgo n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgo n LEU 60 N 1.67 0.00 -3.44 6.55 -0.00 -1.26 -4.83 117.00 115.69 1wgo n LEU 60 Ca 0.07 -0.82 -0.48 0.00 -0.00 0.00 0.00 56.01 54.77 1wgo n LEU 60 Cb 0.30 -0.68 -0.07 0.00 -0.00 0.00 0.00 43.42 42.97 1wgo n LEU 60 CO 0.38 -1.65 0.71 0.35 -0.00 0.00 0.00 177.39 177.17 1wgo n THR 61 N -3.92 0.00 -4.37 1.47 -2.24 -1.26 -4.93 114.28 99.03 1wgo n THR 61 Ca 0.10 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 1wgo n THR 61 Cb 0.39 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 1wgo n THR 61 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wgo s THR 62 N 1.47 0.81 0.02 4.28 2.01 -1.26 -4.97 115.64 118.00 1wgo s THR 62 Ca 0.74 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1wgo s THR 62 Cb -1.05 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.70 1wgo s THR 62 CO 0.54 0.13 1.36 -0.54 -0.69 0.00 0.00 174.62 175.43 1wgo s LYS 63 N -0.50 4.31 -0.22 4.92 -0.14 -1.26 -4.27 119.74 122.57 1wgo s LYS 63 Ca 0.02 1.95 0.02 0.00 -1.36 0.00 0.00 55.97 56.60 1wgo s LYS 63 Cb -0.05 -3.49 0.04 0.00 -1.68 0.00 0.00 37.83 32.65 1wgo s LYS 63 CO -0.00 -0.51 -0.14 0.71 -0.76 0.00 0.00 175.35 174.65 1wgo s TYR 64 N 2.02 2.99 -0.23 3.18 2.02 0.02 -3.38 117.35 123.97 1wgo s TYR 64 Ca 0.63 -2.00 -0.22 0.00 -0.37 0.00 0.00 57.07 55.12 1wgo s TYR 64 Cb -0.32 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 1wgo s TYR 64 CO 0.27 -0.84 0.68 -0.65 -1.57 0.00 0.00 175.55 173.45 1wgo s GLN 65 N 1.21 4.17 -0.42 -0.62 1.11 0.72 -1.33 119.66 124.48 1wgo s GLN 65 Ca -0.03 0.68 -0.19 0.00 0.01 0.00 0.00 55.36 55.83 1wgo s GLN 65 Cb -0.17 -3.62 0.02 0.00 -1.01 0.00 0.00 33.01 28.23 1wgo s GLN 65 CO -0.08 -0.38 0.55 0.08 0.01 0.00 0.00 175.29 175.47 1wgo s VAL 66 N 2.38 4.95 -0.31 1.09 1.01 -1.20 -2.20 120.40 126.12 1wgo s VAL 66 Ca 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1wgo s VAL 66 Cb -0.16 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wgo s VAL 66 CO 0.09 -0.49 0.07 -1.81 0.00 0.00 0.00 175.10 172.96 1wgo s ASP 67 N 1.90 5.09 -0.08 3.32 1.11 -0.41 -3.78 116.67 123.83 1wgo s ASP 67 Ca 0.18 -0.96 -0.17 0.00 0.18 0.00 0.00 52.55 51.78 1wgo s ASP 67 Cb -0.15 -1.83 -0.29 0.00 1.07 0.00 0.00 42.92 41.71 1wgo s ASP 67 CO 0.16 -0.25 0.68 -0.07 1.18 0.00 0.00 175.17 176.87 1wgo h LEU 68 N 8.18 0.44 0.00 1.23 -0.00 -1.77 -1.69 115.31 121.70 1wgo h LEU 68 Ca -0.27 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.72 1wgo h LEU 68 Cb 1.10 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 1wgo h LEU 68 CO 0.59 1.57 0.00 0.61 -0.00 0.00 0.00 178.44 181.22 1wgo n GLY 69 N 1.73 2.70 0.00 0.83 0.00 -1.26 -4.02 105.19 105.18 1wgo n GLY 69 Ca -0.22 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1wgo n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgo n ASP 70 N 1.20 0.00 -0.42 1.61 2.03 -1.26 -4.72 116.55 114.98 1wgo n ASP 70 Ca 0.00 0.96 -0.01 0.00 0.52 0.00 0.00 54.79 56.26 1wgo n ASP 70 Cb 0.00 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 39.93 1wgo n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wgo n GLY 71 N -0.98 0.31 3.41 0.27 0.00 -1.26 -5.12 105.19 101.80 1wgo n GLY 71 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.00 0.02 1.61 5.36 -1.26 -5.10 117.98 121.61 1wgo s PHE 72 Ca 0.00 -0.59 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 1wgo s PHE 72 Cb 0.00 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1wgo s PHE 72 CO 0.00 -0.31 -0.05 0.15 -1.46 0.00 0.00 175.22 173.55 1wgo s LYS 73 N 1.04 0.38 0.04 10.12 1.02 -1.26 -3.09 119.74 127.99 1wgo s LYS 73 Ca 0.01 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 1wgo s LYS 73 Cb -0.14 -0.16 0.10 0.00 -0.52 0.00 0.00 37.83 37.11 1wgo s LYS 73 CO 0.01 0.03 1.18 0.00 -0.92 0.00 0.00 175.35 175.64 1wgo s ALA 74 N -1.01 -2.04 -0.24 5.17 0.00 -1.25 -5.09 121.76 117.30 1wgo s ALA 74 Ca -0.08 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1wgo s ALA 74 Cb -0.07 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1wgo s ALA 74 CO -0.00 -1.05 -0.04 1.41 0.00 0.00 0.00 175.76 176.08 1wgo s MET 75 N -2.72 3.04 -0.11 0.00 1.75 -1.26 -3.21 119.30 116.78 1wgo s MET 75 Ca 0.13 -0.85 -0.02 0.00 -1.25 0.00 0.00 55.69 53.70 1wgo s MET 75 Cb 0.03 -3.03 -0.03 0.00 2.84 0.00 0.00 34.83 34.63 1wgo s MET 75 CO -0.02 -0.34 -0.02 0.71 -0.65 0.00 0.00 175.02 174.70 1wgo s TYR 76 N 1.39 3.07 0.03 4.11 1.51 -0.45 -5.01 117.35 122.01 1wgo s TYR 76 Ca 0.02 -0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1wgo s TYR 76 Cb -0.16 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1wgo s TYR 76 CO -0.03 0.24 0.07 0.54 -1.11 0.00 0.00 175.55 175.26 1wgo s VAL 77 N -0.34 0.13 -1.06 0.71 0.11 -1.26 -0.80 120.40 117.87 1wgo s VAL 77 Ca 0.06 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.06 1wgo s VAL 77 Cb -0.12 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1wgo s VAL 77 CO 0.02 -0.57 0.90 0.59 -3.33 0.00 0.00 175.10 172.71 1wgo n ASN 78 N 0.98 -2.81 -0.02 3.54 5.03 -1.26 -4.95 115.26 115.78 1wgo n ASN 78 Ca -0.20 -0.52 -0.07 0.00 0.87 0.00 0.00 54.58 54.66 1wgo n ASN 78 Cb 0.58 -4.48 -0.06 0.00 -1.02 0.00 0.00 39.78 34.80 1wgo n ASN 78 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1wgo h LEU 79 N -1.79 -0.07 -0.58 3.41 4.07 -1.89 -2.03 115.31 116.43 1wgo h LEU 79 Ca -0.51 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1wgo h LEU 79 Cb 1.30 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1wgo h LEU 79 CO 0.44 0.57 0.00 0.35 -1.08 0.00 0.00 178.44 178.72 1wgo n THR 80 N -4.79 1.10 -0.05 0.22 -2.24 -1.26 0.15 114.28 107.41 1wgo n THR 80 Ca -0.05 0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 62.09 1wgo n THR 80 Cb 0.21 -1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 1wgo n THR 80 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wgo h LEU 81 N 0.00 0.00 0.00 3.22 4.07 -1.96 -3.39 115.31 117.25 1wgo h LEU 81 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wgo h LEU 81 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1wgo h LEU 81 CO 0.00 0.51 -0.07 0.35 -1.08 0.00 0.00 178.44 178.15 1wgo n THR 82 N -3.90 0.34 -2.44 0.22 -2.24 -0.76 -4.92 114.28 100.58 1wgo n THR 82 Ca -0.05 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1wgo n THR 82 Cb 0.17 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1wgo n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wgo n GLY 83 N 1.39 -0.50 3.63 3.38 0.00 0.40 -4.93 105.19 108.56 1wgo n GLY 83 Ca 0.06 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.09 4.05 1.16 1.61 0.41 -1.22 -5.01 118.70 114.61 1wgo s GLU 84 Ca 0.02 0.98 -0.18 0.00 -0.41 0.00 0.00 54.97 55.38 1wgo s GLU 84 Cb -0.01 -3.73 0.26 0.00 -1.78 0.00 0.00 34.13 28.88 1wgo s GLU 84 CO 0.02 -0.83 1.11 -1.25 -0.49 0.00 0.00 175.26 173.82 1wgo s PRO 85 N 3.46 -0.85 -0.39 0.39 0.04 -1.26 -4.87 135.00 131.51 1wgo s PRO 85 Ca 0.42 0.07 0.02 0.00 0.04 0.00 0.00 61.00 61.55 1wgo s PRO 85 Cb -0.13 -1.63 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1wgo s PRO 85 CO 0.14 -3.49 0.12 0.42 0.04 0.00 0.00 177.00 174.23 1wgo s ILE 86 N -3.00 2.57 0.43 0.56 1.01 -0.83 -4.93 121.20 117.01 1wgo s ILE 86 Ca 0.70 -2.46 -0.20 0.00 0.00 0.00 0.00 60.65 58.69 1wgo s ILE 86 Cb -0.12 -2.84 -0.11 0.00 0.01 0.00 0.00 42.46 39.41 1wgo s ILE 86 CO 0.56 -0.66 0.93 -0.60 0.00 0.00 0.00 174.94 175.18 1wgo s ARG 87 N 0.74 4.19 0.04 2.79 3.52 -1.26 -2.06 118.95 126.90 1wgo s ARG 87 Ca 0.12 1.06 -0.27 0.00 -0.13 0.00 0.00 55.73 56.51 1wgo s ARG 87 Cb -0.21 -2.20 0.09 0.00 -1.56 0.00 0.00 34.95 31.08 1wgo s ARG 87 CO -0.06 -0.03 0.80 -1.58 -0.81 0.00 0.00 175.30 173.61 1wgo s HIS 88 N -2.20 -0.42 0.01 5.12 2.46 -0.71 -4.98 115.29 114.56 1wgo s HIS 88 Ca 0.61 0.31 0.01 0.00 0.47 0.00 0.00 55.06 56.46 1wgo s HIS 88 Cb -0.09 0.53 -0.01 0.00 -0.13 0.00 0.00 32.58 32.89 1wgo s HIS 88 CO 0.15 -0.63 -0.03 0.50 -2.47 0.00 0.00 174.74 172.26 1wgo s ARG 89 N -3.13 0.27 -0.19 2.88 3.52 -1.26 -0.02 118.95 121.03 1wgo s ARG 89 Ca 0.03 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1wgo s ARG 89 Cb -0.01 -0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.17 1wgo s ARG 89 CO -0.09 0.05 -0.05 0.71 -0.81 0.00 0.00 175.30 175.10 1wgo s TYR 90 N -0.37 2.95 0.01 5.12 2.02 -1.26 -4.99 117.35 120.82 1wgo s TYR 90 Ca -0.02 -0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 55.82 1wgo s TYR 90 Cb -0.03 -2.02 -0.10 0.00 -0.40 0.00 0.00 41.96 39.41 1wgo s TYR 90 CO -0.00 -0.33 0.95 0.93 -1.57 0.00 0.00 175.55 175.53 1wgo h GLU 91 N 7.44 -0.64 -6.11 -0.62 5.08 -1.96 0.22 114.58 117.99 1wgo h GLU 91 Ca -0.35 0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 57.50 1wgo h GLU 91 Cb 1.18 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 1wgo h GLU 91 CO 0.60 -0.43 -0.50 -1.12 -1.00 0.00 0.00 179.01 176.56 1wgo s SER 92 N -3.89 6.01 0.94 1.42 0.01 -1.26 -4.20 113.70 112.73 1wgo s SER 92 Ca -0.10 0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 1wgo s SER 92 Cb 0.01 -1.72 0.15 0.00 0.21 0.00 0.00 66.02 64.67 1wgo s SER 92 CO 0.29 0.05 1.09 -2.16 0.41 0.00 0.00 173.24 172.93 1wgo s PRO 93 N -3.21 0.92 0.00 12.44 0.04 -1.26 -4.87 135.00 139.06 1wgo s PRO 93 Ca 0.33 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1wgo s PRO 93 Cb -0.11 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1wgo s PRO 93 CO 0.26 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.27 1wgo n GLY 94 N -1.10 4.14 3.64 0.56 0.00 0.84 -5.02 105.19 108.25 1wgo n GLY 94 Ca 0.06 -1.03 -0.48 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.15 0.08 -4.31 -0.61 5.41 -1.26 -4.40 119.36 114.11 1wgo n ILE 95 Ca 0.00 -0.02 -0.27 0.00 1.00 0.00 0.00 62.75 63.46 1wgo n ILE 95 Cb 0.00 -1.28 -0.10 0.00 -0.71 0.00 0.00 39.64 37.56 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 0.68 2.58 -0.25 1.39 2.02 -0.69 -4.97 117.35 118.11 1wgo s TYR 96 Ca 0.80 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 57.21 1wgo s TYR 96 Cb -0.77 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1wgo s TYR 96 CO 0.42 0.52 -0.00 1.03 -1.57 0.00 0.00 175.55 175.94 1wgo s ARG 97 N -2.83 3.22 -0.17 -0.62 0.52 -1.26 -1.66 118.95 116.15 1wgo s ARG 97 Ca 0.24 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1wgo s ARG 97 Cb -0.09 -3.14 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 1wgo s ARG 97 CO 0.14 -0.30 -0.11 0.08 0.02 0.00 0.00 175.30 175.13 1wgo s VAL 98 N 1.47 2.99 0.07 3.52 1.01 0.00 -4.02 120.40 125.43 1wgo s VAL 98 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1wgo s VAL 98 Cb -0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1wgo s VAL 98 CO -0.01 0.49 -0.16 -0.44 0.00 0.00 0.00 175.10 174.98 1wgo s SER 99 N 0.96 1.88 -0.29 3.32 0.01 -0.63 0.10 113.70 119.05 1wgo s SER 99 Ca -0.02 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wgo s SER 99 Cb -0.15 -0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.08 1wgo s SER 99 CO -0.01 -0.00 0.05 0.54 0.41 0.00 0.00 173.24 174.22 1wgo s VAL 100 N -1.09 1.31 0.29 3.43 0.11 -0.69 -1.28 120.40 122.47 1wgo s VAL 100 Ca 0.01 -1.49 -0.11 0.00 -2.93 0.00 0.00 61.98 57.46 1wgo s VAL 100 Cb -0.09 -1.87 -0.08 0.00 -1.53 0.00 0.00 36.38 32.81 1wgo s VAL 100 CO 0.02 -0.48 0.64 -0.60 -3.33 0.00 0.00 175.10 171.35 1wgo s ARG 101 N 1.43 3.85 -0.09 1.54 3.52 -0.94 -1.54 118.95 126.73 1wgo s ARG 101 Ca 0.05 0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.97 1wgo s ARG 101 Cb -0.18 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1wgo s ARG 101 CO -0.15 0.21 0.26 0.00 -0.81 0.00 0.00 175.30 174.81 1wgo s ALA 102 N -1.96 -0.65 -0.27 6.12 0.00 0.31 -0.20 121.76 125.11 1wgo s ALA 102 Ca 0.50 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1wgo s ALA 102 Cb -0.11 -0.39 0.15 0.00 0.00 0.00 0.00 23.12 22.78 1wgo s ALA 102 CO 0.22 -0.14 0.42 -2.00 0.00 0.00 0.00 175.76 174.26 1wgo s GLU 103 N 0.00 0.40 0.44 0.00 2.12 -1.22 -1.02 118.70 119.43 1wgo s GLU 103 Ca -0.01 0.47 0.06 0.00 0.36 0.00 0.00 54.97 55.85 1wgo s GLU 103 Cb -0.02 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.06 1wgo s GLU 103 CO 0.01 -0.77 0.19 1.21 -0.54 0.00 0.00 175.26 175.35 1wgo s ASN 104 N 2.59 4.40 0.39 -1.70 3.84 0.14 -4.52 114.94 120.09 1wgo s ASN 104 Ca 0.13 -1.17 0.15 0.00 0.21 0.00 0.00 52.86 52.17 1wgo s ASN 104 Cb -0.14 -0.26 1.00 0.00 -0.55 0.00 0.00 41.25 41.30 1wgo s ASN 104 CO -0.21 -0.65 1.82 0.74 -2.79 0.00 0.00 177.10 176.02 1wgo h THR 105 N 1.34 0.67 0.06 -5.21 2.02 -2.00 -2.96 112.91 106.83 1wgo h THR 105 Ca -0.42 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1wgo h THR 105 Cb 1.26 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1wgo h THR 105 CO 0.69 0.09 -0.03 0.00 0.37 0.00 0.00 175.52 176.65 1wgo h ALA 106 N 1.62 -0.46 -3.00 6.16 0.00 -1.90 -3.50 119.26 118.18 1wgo h ALA 106 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1wgo h ALA 106 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wgo h ALA 106 CO -0.24 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 178.97 1wgo n GLY 107 N 0.64 5.10 3.60 0.00 0.00 -1.12 -4.77 105.19 108.65 1wgo n GLY 107 Ca -0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 0.75 -1.10 0.23 1.61 -3.43 -1.26 0.26 115.29 112.35 1wgo s HIS 108 Ca 0.00 2.11 0.08 0.00 -0.80 0.00 0.00 55.06 56.45 1wgo s HIS 108 Cb 0.00 0.65 -0.05 0.00 -1.43 0.00 0.00 32.58 31.75 1wgo s HIS 108 CO 0.00 -0.55 -0.13 -0.51 -2.00 0.00 0.00 174.74 171.55 1wgo s ASP 109 N 1.98 2.68 -0.23 7.38 1.11 -0.19 -4.90 116.67 124.50 1wgo s ASP 109 Ca -0.09 -1.06 -0.22 0.00 0.18 0.00 0.00 52.55 51.36 1wgo s ASP 109 Cb -0.07 -0.15 0.06 0.00 1.07 0.00 0.00 42.92 43.82 1wgo s ASP 109 CO -0.19 -0.20 0.62 -0.70 1.18 0.00 0.00 175.17 175.88 1wgo s GLU 110 N -3.66 0.73 0.35 8.23 -6.30 -1.26 0.11 118.70 116.90 1wgo s GLU 110 Ca 0.25 0.87 0.08 0.00 -2.50 0.00 0.00 54.97 53.66 1wgo s GLU 110 Cb 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 34.13 34.41 1wgo s GLU 110 CO 0.09 -0.09 -0.04 0.00 0.02 0.00 0.00 175.26 175.24 1wgo s ALA 111 N 0.34 2.87 -0.01 6.30 0.00 -0.59 -4.97 121.76 125.70 1wgo s ALA 111 Ca -0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 51.96 49.82 1wgo s ALA 111 Cb -0.04 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1wgo s ALA 111 CO 0.01 -0.05 0.02 0.08 0.00 0.00 0.00 175.76 175.81 1wgo s VAL 112 N -2.78 -0.01 -0.01 0.00 1.01 -1.26 -1.71 120.40 115.64 1wgo s VAL 112 Ca 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1wgo s VAL 112 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 36.38 36.40 1wgo s VAL 112 CO 0.16 0.01 0.05 -0.22 0.00 0.00 0.00 175.10 175.11 1wgo s LEU 113 N 0.16 1.84 -0.09 3.92 0.20 0.11 -4.94 118.68 119.88 1wgo s LEU 113 Ca -0.01 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.75 1wgo s LEU 113 Cb -0.02 0.26 -0.02 0.00 -0.43 0.00 0.00 46.19 45.98 1wgo s LEU 113 CO -0.00 -0.14 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.41 1wgo s PHE 114 N -0.54 2.74 -0.13 5.38 0.40 -1.26 -0.82 117.98 123.75 1wgo s PHE 114 Ca -0.06 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.78 1wgo s PHE 114 Cb -0.04 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1wgo s PHE 114 CO 0.00 -0.06 -0.06 0.08 0.70 0.00 0.00 175.22 175.88 1wgo s VAL 115 N -0.09 3.71 -0.42 -0.44 1.01 -0.67 -4.99 120.40 118.52 1wgo s VAL 115 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1wgo s VAL 115 Cb -0.14 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.71 1wgo s VAL 115 CO 0.04 0.52 0.27 -1.58 0.00 0.00 0.00 175.10 174.35 1wgo s GLN 116 N 0.13 2.76 -0.34 2.72 0.74 -1.26 -1.70 119.66 122.71 1wgo s GLN 116 Ca -0.02 -1.32 0.02 0.00 0.05 0.00 0.00 55.36 54.09 1wgo s GLN 116 Cb -0.14 -3.85 0.09 0.00 1.10 0.00 0.00 33.01 30.22 1wgo s GLN 116 CO 0.03 -0.89 0.05 0.54 -0.55 0.00 0.00 175.29 174.47 1wgo s VAL 117 N 1.51 2.46 0.03 1.34 0.11 -1.26 -2.23 120.40 122.37 1wgo s VAL 117 Ca 0.03 -2.14 -0.01 0.00 -2.93 0.00 0.00 61.98 56.93 1wgo s VAL 117 Cb -0.22 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.87 1wgo s VAL 117 CO 0.05 -0.50 0.19 -0.55 -3.33 0.00 0.00 175.10 170.96 1wgo s SER 118 N 1.10 6.34 0.00 3.54 0.15 -1.06 -0.11 113.70 123.66 1wgo s SER 118 Ca 0.07 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1wgo s SER 118 Cb -0.20 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1wgo s SER 118 CO -0.07 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1wgo n GLY 119 N 0.59 -1.40 3.68 9.45 0.00 -1.26 -4.13 105.19 112.12 1wgo n GLY 119 Ca -0.08 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1wgo n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgo s PRO 120 N -0.00 4.24 0.09 1.61 0.04 -1.26 -4.96 135.00 134.76 1wgo s PRO 120 Ca 0.00 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1wgo s PRO 120 Cb 0.00 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1wgo s PRO 120 CO 0.00 -0.68 -0.25 -1.54 0.04 0.00 0.00 177.00 174.57 1wgo s SER 121 N 2.35 3.38 -0.64 6.66 1.04 -1.26 -5.08 113.70 120.16 1wgo s SER 121 Ca 0.66 -0.63 -0.27 0.00 0.48 0.00 0.00 55.95 56.19 1wgo s SER 121 Cb -0.31 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.49 1wgo s SER 121 CO 0.26 0.22 1.50 -0.55 0.98 0.00 0.00 173.24 175.65 1wgo s SER 122 N -1.69 5.88 0.00 7.02 0.15 -1.26 -5.30 113.70 118.50 1wgo s SER 122 Ca 0.14 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1wgo s SER 122 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1wgo s SER 122 CO 0.05 -1.96 0.00 0.61 1.20 0.00 0.00 173.24 173.14