#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 -0.18 0.16 1.61 1.04 -1.26 -5.19 113.70 109.88 1wgo s SER 2 Ca 0.00 0.21 -0.24 0.00 0.48 0.00 0.00 55.95 56.40 1wgo s SER 2 Cb 0.00 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1wgo s SER 2 CO 0.00 -0.16 0.76 -0.94 0.98 0.00 0.00 173.24 173.88 1wgo s SER 3 N -1.00 -0.36 0.00 7.02 1.04 -1.26 -5.19 113.70 113.95 1wgo s SER 3 Ca 0.04 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wgo s SER 3 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1wgo s SER 3 CO -0.04 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1wgo n GLY 4 N -0.39 0.85 3.03 7.32 0.00 -1.26 -5.18 105.19 109.57 1wgo n GLY 4 Ca -0.10 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.61 -0.04 1.61 0.01 -1.26 -5.08 113.70 109.55 1wgo s SER 5 Ca 0.00 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 1wgo s SER 5 Cb 0.00 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1wgo s SER 5 CO 0.00 -0.26 -0.17 -1.20 0.41 0.00 0.00 173.24 172.02 1wgo n SER 6 N 1.43 1.51 0.00 2.44 7.64 -1.26 -5.14 113.62 120.24 1wgo n SER 6 Ca -0.23 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgo n SER 6 Cb 0.55 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1wgo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgo n GLY 7 N 2.50 -0.73 3.87 0.23 0.00 -1.26 -5.10 105.19 104.71 1wgo n GLY 7 Ca -0.07 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.23 0.81 0.00 0.00 2.56 -1.26 -5.17 118.70 113.40 1wgo s GLU 9 Ca 0.21 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.73 1wgo s GLU 9 Cb -0.03 0.39 0.00 0.00 2.00 0.00 0.00 34.13 36.49 1wgo s GLU 9 CO 0.05 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 1wgo n GLY 10 N 2.04 0.84 3.18 -1.50 0.00 -1.26 -5.15 105.19 103.33 1wgo n GLY 10 Ca -0.16 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.40 -0.02 -0.02 0.00 -1.26 -5.17 107.32 100.46 1wgo s GLY 11 Ca 0.00 2.71 -0.02 0.00 0.00 0.00 0.00 44.72 47.40 1wgo s GLY 11 CO 0.00 3.69 0.06 0.14 0.00 0.00 0.00 173.10 176.98 1wgo s VAL 12 N 2.87 0.01 -0.22 1.40 1.01 -1.26 -5.15 120.40 119.06 1wgo s VAL 12 Ca 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1wgo s VAL 12 Cb -0.10 -0.11 0.08 0.00 0.00 0.00 0.00 36.38 36.24 1wgo s VAL 12 CO -0.13 -0.04 0.51 -1.81 0.00 0.00 0.00 175.10 173.63 1wgo s ASP 13 N -0.10 -0.64 0.04 3.32 1.01 -1.26 -5.17 116.67 113.87 1wgo s ASP 13 Ca -0.01 1.15 -0.14 0.00 0.71 0.00 0.00 52.55 54.25 1wgo s ASP 13 Cb -0.01 1.20 0.02 0.00 1.01 0.00 0.00 42.92 45.14 1wgo s ASP 13 CO 0.00 -0.22 0.31 -0.04 0.21 0.00 0.00 175.17 175.44 1wgo s MET 14 N 1.86 0.81 -0.04 8.23 -1.94 -1.26 -5.16 119.30 121.80 1wgo s MET 14 Ca -0.08 -0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.42 1wgo s MET 14 Cb -0.09 0.35 0.03 0.00 2.01 0.00 0.00 34.83 37.13 1wgo s MET 14 CO -0.15 -0.26 0.02 -0.65 -0.01 0.00 0.00 175.02 173.97 1wgo s GLN 15 N -2.45 0.18 0.01 2.03 -0.21 -1.26 -5.15 119.66 112.81 1wgo s GLN 15 Ca -0.06 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.51 1wgo s GLN 15 Cb -0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 33.01 33.47 1wgo s GLN 15 CO -0.03 -0.22 -0.01 -0.65 -2.12 0.00 0.00 175.29 172.26 1wgo s GLN 16 N 1.48 0.15 -0.30 2.91 -0.21 -1.26 -5.15 119.66 117.29 1wgo s GLN 16 Ca -0.03 -0.28 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 1wgo s GLN 16 Cb -0.13 0.05 0.17 0.00 1.00 0.00 0.00 33.01 34.10 1wgo s GLN 16 CO -0.03 -0.02 1.08 -1.54 -2.12 0.00 0.00 175.29 172.66 1wgo s SER 17 N -0.68 -0.38 -0.24 5.90 1.04 -1.26 -5.14 113.70 112.94 1wgo s SER 17 Ca -0.07 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 1wgo s SER 17 Cb -0.05 1.29 0.07 0.00 0.10 0.00 0.00 66.02 67.44 1wgo s SER 17 CO -0.00 -0.08 0.04 -1.10 0.98 0.00 0.00 173.24 173.07 1wgo s GLN 18 N 1.74 0.91 -0.16 4.02 -1.52 -1.26 -5.12 119.66 118.26 1wgo s GLN 18 Ca -0.05 -0.80 -0.03 0.00 -1.95 0.00 0.00 55.36 52.53 1wgo s GLN 18 Cb -0.04 -2.20 -0.02 0.00 -0.22 0.00 0.00 33.01 30.53 1wgo s GLN 18 CO -0.15 -0.75 -0.05 0.08 -0.25 0.00 0.00 175.29 174.16 1wgo s VAL 19 N 1.65 3.64 -0.04 1.09 1.01 -1.26 -5.11 120.40 121.39 1wgo s VAL 19 Ca 0.02 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1wgo s VAL 19 Cb -0.18 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1wgo s VAL 19 CO -0.13 0.48 -0.19 -1.58 0.00 0.00 0.00 175.10 173.68 1wgo s GLN 20 N 0.59 1.90 0.32 2.72 0.74 -1.26 -5.14 119.66 119.53 1wgo s GLN 20 Ca -0.04 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.72 1wgo s GLN 20 Cb -0.15 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.25 1wgo s GLN 20 CO 0.03 0.31 0.19 -0.51 -0.55 0.00 0.00 175.29 174.75 1wgo s LEU 21 N -0.11 1.69 0.47 3.68 1.43 -1.26 -5.15 118.68 119.44 1wgo s LEU 21 Ca -0.01 -1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 51.27 1wgo s LEU 21 Cb -0.11 0.27 -0.09 0.00 0.03 0.00 0.00 46.19 46.29 1wgo s LEU 21 CO 0.02 -0.94 1.02 -1.10 0.23 0.00 0.00 176.35 175.58 1wgo s GLN 22 N -3.73 3.90 0.11 1.70 -1.52 -1.26 -5.06 119.66 113.80 1wgo s GLN 22 Ca 0.36 1.30 0.06 0.00 -1.95 0.00 0.00 55.36 55.14 1wgo s GLN 22 Cb 0.04 -2.11 -0.04 0.00 -0.22 0.00 0.00 33.01 30.68 1wgo s GLN 22 CO 0.20 -0.34 -0.06 0.00 -0.25 0.00 0.00 175.29 174.84 1wgo n PRO 24 N 0.57 -1.10 -2.20 0.00 -0.04 -1.26 -5.06 135.00 125.90 1wgo n PRO 24 Ca -0.12 -0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 62.99 1wgo n PRO 24 Cb 0.52 -0.07 0.17 0.00 -0.04 0.00 0.00 33.50 34.09 1wgo n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wgo s LEU 25 N 0.00 2.82 0.11 1.53 1.02 -1.26 -5.11 118.68 117.80 1wgo s LEU 25 Ca 0.03 -0.08 0.10 0.00 0.02 0.00 0.00 54.13 54.20 1wgo s LEU 25 Cb -0.00 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 1wgo s LEU 25 CO 0.02 -2.53 -0.27 0.42 0.02 0.00 0.00 176.35 174.01 1wgo s THR 26 N -3.65 2.21 0.49 5.49 -4.23 -1.26 -4.90 115.64 109.79 1wgo s THR 26 Ca 0.73 -1.66 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1wgo s THR 26 Cb -0.03 -1.94 -0.07 0.00 1.34 0.00 0.00 72.50 71.80 1wgo s THR 26 CO 0.50 0.15 1.15 -2.16 -0.54 0.00 0.00 174.62 173.72 1wgo s PRO 27 N -1.86 3.61 -0.37 3.99 0.04 -1.26 -4.65 135.00 134.49 1wgo s PRO 27 Ca 0.13 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1wgo s PRO 27 Cb -0.10 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1wgo s PRO 27 CO 0.05 -0.66 1.71 -1.25 0.04 0.00 0.00 177.00 176.88 1wgo s PRO 28 N -2.92 3.35 0.02 0.56 0.04 -1.26 -4.95 135.00 129.84 1wgo s PRO 28 Ca 0.67 1.25 0.05 0.00 0.04 0.00 0.00 61.00 63.01 1wgo s PRO 28 Cb -0.27 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 1wgo s PRO 28 CO 0.32 -1.84 -0.10 1.03 0.04 0.00 0.00 177.00 176.44 1wgo s ARG 29 N 5.57 2.38 0.00 4.56 1.81 -1.26 -4.47 118.95 127.54 1wgo s ARG 29 Ca 0.74 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 1wgo s ARG 29 Cb -0.20 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.91 1wgo s ARG 29 CO 0.33 0.58 0.00 0.41 -0.68 0.00 0.00 175.30 175.93 1wgo n GLY 30 N 1.49 0.83 3.63 -3.53 0.00 -1.26 -1.63 105.19 104.72 1wgo n GLY 30 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 3.91 0.15 0.99 1.98 -1.26 -2.88 118.68 121.58 1wgo s LEU 31 Ca 0.00 1.84 -0.15 0.00 -2.89 0.00 0.00 54.13 52.93 1wgo s LEU 31 Cb 0.00 -3.53 0.02 0.00 0.66 0.00 0.00 46.19 43.35 1wgo s LEU 31 CO 0.00 -1.33 0.41 0.00 -1.89 0.00 0.00 176.35 173.54 1wgo s GLN 32 N 4.90 1.18 0.09 1.98 -2.07 -1.17 -4.49 119.66 120.06 1wgo s GLN 32 Ca 0.79 -0.85 0.04 0.00 -1.82 0.00 0.00 55.36 53.52 1wgo s GLN 32 Cb -0.29 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1wgo s GLN 32 CO 0.32 -0.47 0.01 0.14 -1.32 0.00 0.00 175.29 173.97 1wgo s VAL 33 N -3.86 4.08 0.00 3.63 -7.23 -1.26 -3.01 120.40 112.75 1wgo s VAL 33 Ca 0.07 -0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1wgo s VAL 33 Cb 0.01 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1wgo s VAL 33 CO -0.07 0.13 0.22 -0.44 -0.31 0.00 0.00 175.10 174.63 1wgo s SER 34 N -2.28 -0.06 -0.27 4.85 0.01 -0.17 -4.90 113.70 110.87 1wgo s SER 34 Ca 0.26 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 57.15 1wgo s SER 34 Cb -0.12 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1wgo s SER 34 CO 0.18 -0.44 0.89 -0.63 0.41 0.00 0.00 173.24 173.66 1wgo s ILE 35 N -1.57 4.75 -0.83 1.44 1.01 -1.26 0.64 121.20 125.38 1wgo s ILE 35 Ca -0.13 1.59 -0.16 0.00 0.00 0.00 0.00 60.65 61.96 1wgo s ILE 35 Cb -0.06 -4.20 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 1wgo s ILE 35 CO 0.02 -0.19 2.00 1.67 0.00 0.00 0.00 174.94 178.44 1wgo n GLN 36 N 6.23 0.00 0.00 2.79 7.27 -0.83 -4.19 117.38 128.65 1wgo n GLN 36 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1wgo n GLN 36 Cb 0.47 -1.03 0.00 0.00 2.41 0.00 0.00 30.24 32.10 1wgo n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wgo n GLY 37 N 4.95 -0.60 3.59 1.69 0.00 -1.26 -4.86 105.19 108.71 1wgo n GLY 37 Ca 0.56 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1wgo n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgo s GLU 38 N -4.93 3.03 0.31 1.61 2.56 -1.26 -4.96 118.70 115.06 1wgo s GLU 38 Ca 0.00 1.89 0.08 0.00 0.00 0.00 0.00 54.97 56.94 1wgo s GLU 38 Cb 0.00 -4.38 -0.04 0.00 2.00 0.00 0.00 34.13 31.71 1wgo s GLU 38 CO 0.00 -2.22 0.14 0.00 -0.56 0.00 0.00 175.26 172.63 1wgo s ALA 39 N 8.60 3.49 0.09 6.30 0.00 -1.26 -5.07 121.76 133.91 1wgo s ALA 39 Ca 0.98 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1wgo s ALA 39 Cb -0.30 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1wgo s ALA 39 CO 0.34 0.12 0.00 0.28 0.00 0.00 0.00 175.76 176.50 1wgo n VAL 40 N -1.13 0.78 -3.72 0.00 0.31 -1.26 -5.07 118.33 108.23 1wgo n VAL 40 Ca -0.04 0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 64.33 1wgo n VAL 40 Cb 0.60 -1.29 -0.18 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.43 0.18 3.52 0.00 -1.26 -4.79 121.76 117.83 1wgo s ALA 41 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1wgo s ALA 41 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1wgo s ALA 41 CO 0.00 -0.46 0.30 0.08 0.00 0.00 0.00 175.76 175.68 1wgo s VAL 42 N 2.03 5.27 0.24 0.00 1.01 -1.24 -4.87 120.40 122.84 1wgo s VAL 42 Ca 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1wgo s VAL 42 Cb -0.12 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1wgo s VAL 42 CO -0.04 -0.16 0.47 -0.13 0.00 0.00 0.00 175.10 175.24 1wgo s ARG 43 N -3.45 3.60 -0.08 2.72 3.00 -1.26 -1.35 118.95 122.12 1wgo s ARG 43 Ca 0.34 -0.12 -0.30 0.00 0.00 0.00 0.00 55.73 55.66 1wgo s ARG 43 Cb -0.10 -2.74 -0.04 0.00 0.00 0.00 0.00 34.95 32.06 1wgo s ARG 43 CO 0.28 0.31 1.51 -1.25 0.00 0.00 0.00 175.30 176.16 1wgo s PRO 44 N -3.34 4.21 0.00 3.54 0.04 -1.26 -2.75 135.00 135.44 1wgo s PRO 44 Ca 0.42 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1wgo s PRO 44 Cb -0.11 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1wgo s PRO 44 CO 0.29 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1wgo n GLY 45 N 3.93 0.96 3.57 0.56 0.00 -0.99 -4.96 105.19 108.27 1wgo n GLY 45 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.76 3.80 -0.56 1.61 0.41 -1.11 -4.70 118.70 117.40 1wgo s GLU 46 Ca 0.00 -0.40 -0.26 0.00 -0.41 0.00 0.00 54.97 53.89 1wgo s GLU 46 Cb 0.00 -3.71 -0.09 0.00 -1.78 0.00 0.00 34.13 28.55 1wgo s GLU 46 CO 0.00 -0.28 2.43 -0.25 -0.49 0.00 0.00 175.26 176.67 1wgo n ASP 47 N 5.10 2.14 -4.80 -0.19 8.00 -1.26 -4.45 116.55 121.09 1wgo n ASP 47 Ca -0.13 -0.63 -0.36 0.00 0.71 0.00 0.00 54.79 54.38 1wgo n ASP 47 Cb 0.51 -1.57 -0.07 0.00 -0.02 0.00 0.00 41.12 39.98 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 12.46 4.31 -0.16 2.53 0.11 0.12 -4.70 120.40 135.06 1wgo s VAL 48 Ca 0.99 1.66 -0.06 0.00 -2.93 0.00 0.00 61.98 61.64 1wgo s VAL 48 Cb -0.21 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 1wgo s VAL 48 CO 0.25 0.00 0.03 -0.76 -3.33 0.00 0.00 175.10 171.29 1wgo s LEU 49 N -2.40 3.67 -0.28 2.54 2.01 -1.26 -2.59 118.68 120.38 1wgo s LEU 49 Ca 0.53 0.06 0.02 0.00 0.01 0.00 0.00 54.13 54.75 1wgo s LEU 49 Cb -0.15 -1.90 0.06 0.00 0.01 0.00 0.00 46.19 44.21 1wgo s LEU 49 CO 0.20 0.21 -0.07 -0.36 1.01 0.00 0.00 176.35 177.35 1wgo s PHE 50 N 0.13 3.34 0.17 0.29 0.08 -1.09 -1.96 117.98 118.94 1wgo s PHE 50 Ca 0.03 -2.36 -0.22 0.00 0.12 0.00 0.00 56.93 54.51 1wgo s PHE 50 Cb -0.13 -2.11 -0.08 0.00 -0.57 0.00 0.00 43.02 40.14 1wgo s PHE 50 CO 0.01 -0.88 0.71 0.08 -0.10 0.00 0.00 175.22 175.05 1wgo s VAL 51 N 1.10 4.52 -0.12 -0.44 1.01 0.21 -2.31 120.40 124.36 1wgo s VAL 51 Ca -0.06 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.39 1wgo s VAL 51 Cb -0.20 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1wgo s VAL 51 CO -0.05 0.42 -0.17 0.54 0.00 0.00 0.00 175.10 175.84 1wgo s VAL 52 N -1.28 1.65 -0.20 2.92 0.11 -1.26 -1.00 120.40 121.33 1wgo s VAL 52 Ca 0.37 -0.72 -0.25 0.00 -2.93 0.00 0.00 61.98 58.45 1wgo s VAL 52 Cb -0.20 -1.49 0.06 0.00 -1.53 0.00 0.00 36.38 33.22 1wgo s VAL 52 CO 0.23 0.47 0.66 -0.60 -3.33 0.00 0.00 175.10 172.53 1wgo s ARG 53 N 1.01 0.83 0.24 1.54 3.52 -1.16 -4.53 118.95 120.40 1wgo s ARG 53 Ca -0.05 0.75 0.08 0.00 -0.13 0.00 0.00 55.73 56.38 1wgo s ARG 53 Cb -0.15 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 1wgo s ARG 53 CO -0.03 -0.15 0.05 1.14 -0.81 0.00 0.00 175.30 175.50 1wgo s GLN 54 N -0.03 2.49 0.16 5.12 -2.07 -1.26 -3.05 119.66 121.01 1wgo s GLN 54 Ca -0.03 -1.25 -0.04 0.00 -1.82 0.00 0.00 55.36 52.23 1wgo s GLN 54 Cb -0.04 -2.32 0.00 0.00 -1.09 0.00 0.00 33.01 29.57 1wgo s GLN 54 CO 0.03 0.40 1.40 1.49 -1.32 0.00 0.00 175.29 177.28 1wgo h GLU 55 N 1.98 0.47 0.00 9.60 4.57 -1.39 -3.09 114.58 126.72 1wgo h GLU 55 Ca -0.46 -0.40 -0.06 0.00 -1.18 0.00 0.00 59.36 57.26 1wgo h GLU 55 Cb 1.24 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1wgo h GLU 55 CO 0.60 1.03 -0.30 0.37 -1.18 0.00 0.00 179.01 179.53 1wgo h GLN 56 N 0.32 0.00 0.00 1.92 4.15 -1.63 -3.49 115.11 116.38 1wgo h GLN 56 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1wgo h GLN 56 Cb 1.35 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.04 1wgo h GLN 56 CO 0.14 0.30 -0.00 0.41 -1.93 0.00 0.00 178.83 177.75 1wgo n GLY 57 N 0.38 -0.24 2.56 2.39 0.00 -1.17 -4.86 105.19 104.25 1wgo n GLY 57 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1wgo n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgo n ASP 58 N -3.75 -4.34 -2.72 1.61 8.00 -1.26 -4.89 116.55 109.20 1wgo n ASP 58 Ca 0.00 -0.22 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 1wgo n ASP 58 Cb 0.00 -3.11 -0.02 0.00 -0.02 0.00 0.00 41.12 37.97 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1wgo n VAL 59 N -3.98 1.12 -3.31 2.53 3.14 -1.26 -4.90 118.33 111.68 1wgo n VAL 59 Ca -0.04 -0.28 -0.26 0.00 -2.96 0.00 0.00 64.34 60.80 1wgo n VAL 59 Cb 0.56 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.27 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 1.21 2.87 -3.78 6.55 -0.00 -1.26 -4.88 117.00 117.70 1wgo n LEU 60 Ca 0.11 -5.28 -0.26 0.00 -0.00 0.00 0.00 56.01 50.59 1wgo n LEU 60 Cb 0.14 -0.29 0.04 0.00 -0.00 0.00 0.00 43.42 43.31 1wgo n LEU 60 CO 0.35 2.10 0.05 0.41 -0.00 0.00 0.00 177.39 180.30 1wgo n THR 61 N 0.85 -3.27 -3.41 1.47 -1.04 -1.26 -4.93 114.28 102.69 1wgo n THR 61 Ca 0.28 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.67 1wgo n THR 61 Cb 0.45 -3.40 -0.09 0.00 -1.82 0.00 0.00 70.33 65.47 1wgo n THR 61 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wgo s THR 62 N -3.46 5.20 0.54 12.58 2.01 -1.26 -4.91 115.64 126.34 1wgo s THR 62 Ca 0.36 0.58 -0.19 0.00 0.31 0.00 0.00 61.69 62.75 1wgo s THR 62 Cb -0.18 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1wgo s THR 62 CO 0.81 0.21 1.08 -0.54 -0.69 0.00 0.00 174.62 175.49 1wgo s LYS 63 N 1.72 3.45 -0.03 4.92 -0.14 -1.26 -3.52 119.74 124.89 1wgo s LYS 63 Ca 0.16 1.42 0.01 0.00 -1.36 0.00 0.00 55.97 56.20 1wgo s LYS 63 Cb -0.15 -2.04 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1wgo s LYS 63 CO 0.09 -0.73 -0.04 0.71 -0.76 0.00 0.00 175.35 174.61 1wgo s TYR 64 N -2.04 0.60 -0.30 3.18 2.02 -0.37 -3.86 117.35 116.57 1wgo s TYR 64 Ca 0.68 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 57.20 1wgo s TYR 64 Cb -0.19 -0.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1wgo s TYR 64 CO 0.28 -0.11 0.05 -1.14 -1.57 0.00 0.00 175.55 173.06 1wgo s GLN 65 N 0.54 2.81 -0.34 -0.62 2.00 -0.97 0.59 119.66 123.68 1wgo s GLN 65 Ca -0.07 -1.03 -0.14 0.00 -2.00 0.00 0.00 55.36 52.12 1wgo s GLN 65 Cb -0.10 -3.31 -0.02 0.00 0.80 0.00 0.00 33.01 30.38 1wgo s GLN 65 CO -0.00 -0.53 0.31 0.08 -0.50 0.00 0.00 175.29 174.65 1wgo s VAL 66 N 1.41 5.22 -0.34 1.34 1.01 0.76 -1.74 120.40 128.06 1wgo s VAL 66 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1wgo s VAL 66 Cb -0.18 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.48 1wgo s VAL 66 CO 0.01 -0.04 0.11 -0.62 0.00 0.00 0.00 175.10 174.56 1wgo s ASP 67 N 1.73 5.28 0.35 3.32 2.15 -1.21 -1.27 116.67 127.02 1wgo s ASP 67 Ca 0.09 -1.25 0.03 0.00 0.43 0.00 0.00 52.55 51.86 1wgo s ASP 67 Cb -0.17 -1.85 0.63 0.00 -0.30 0.00 0.00 42.92 41.23 1wgo s ASP 67 CO 0.11 -0.35 1.95 -0.07 -0.17 0.00 0.00 175.17 176.64 1wgo h LEU 68 N 8.19 0.62 0.00 -1.34 -0.00 -1.02 -2.95 115.31 118.81 1wgo h LEU 68 Ca -0.22 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1wgo h LEU 68 Cb 1.08 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1wgo h LEU 68 CO 0.61 0.54 0.00 0.61 -0.00 0.00 0.00 178.44 180.20 1wgo n GLY 69 N -1.19 2.55 0.00 0.83 0.00 -1.22 -3.79 105.19 102.37 1wgo n GLY 69 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.07 0.00 -0.39 1.61 2.03 -1.26 -4.72 116.55 113.89 1wgo n ASP 70 Ca 0.00 1.00 -0.01 0.00 0.52 0.00 0.00 54.79 56.30 1wgo n ASP 70 Cb 0.00 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 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 -1.00 0.42 3.07 0.27 0.00 -1.26 -5.11 105.19 101.58 1wgo n GLY 71 Ca 0.00 0.00 -0.32 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 2.89 -0.02 1.61 5.36 -1.26 -5.06 117.98 121.49 1wgo s PHE 72 Ca 0.00 -1.90 -0.01 0.00 -0.96 0.00 0.00 56.93 54.05 1wgo s PHE 72 Cb 0.00 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.84 1wgo s PHE 72 CO 0.00 -0.82 0.05 -1.59 -1.46 0.00 0.00 175.22 171.40 1wgo s LYS 73 N 1.24 0.03 0.05 10.12 -2.85 -1.26 -0.48 119.74 126.59 1wgo s LYS 73 Ca -0.02 0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 1wgo s LYS 73 Cb -0.16 -0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 1wgo s LYS 73 CO -0.09 -0.07 -0.04 0.00 0.10 0.00 0.00 175.35 175.25 1wgo s ALA 74 N 0.44 0.49 -0.34 0.59 0.00 -0.39 -4.98 121.76 117.55 1wgo s ALA 74 Ca -0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 1wgo s ALA 74 Cb -0.05 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1wgo s ALA 74 CO -0.01 -0.25 0.15 1.41 0.00 0.00 0.00 175.76 177.05 1wgo s MET 75 N -2.99 2.86 -0.24 0.00 1.75 -1.26 -0.17 119.30 119.25 1wgo s MET 75 Ca -0.00 -1.04 -0.10 0.00 -1.25 0.00 0.00 55.69 53.30 1wgo s MET 75 Cb 0.01 -3.57 -0.05 0.00 2.84 0.00 0.00 34.83 34.07 1wgo s MET 75 CO -0.06 -0.62 0.14 0.71 -0.65 0.00 0.00 175.02 174.55 1wgo s TYR 76 N 1.50 3.26 0.17 4.11 1.51 0.20 -4.89 117.35 123.21 1wgo s TYR 76 Ca 0.01 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 1wgo s TYR 76 Cb -0.19 -2.26 -0.06 0.00 -0.11 0.00 0.00 41.96 39.35 1wgo s TYR 76 CO 0.05 -0.01 0.41 0.54 -1.11 0.00 0.00 175.55 175.43 1wgo s VAL 77 N 1.14 5.13 -0.21 0.71 0.11 -1.26 -1.24 120.40 124.77 1wgo s VAL 77 Ca 0.07 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1wgo s VAL 77 Cb -0.14 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1wgo s VAL 77 CO 0.05 -0.01 0.00 -0.46 -3.33 0.00 0.00 175.10 171.35 1wgo n ASN 78 N -0.05 -1.07 -0.19 3.54 0.23 -1.23 -4.74 115.26 111.75 1wgo n ASN 78 Ca -0.02 0.26 -0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1wgo n ASN 78 Cb 0.52 -1.20 0.08 0.00 -2.08 0.00 0.00 39.78 37.11 1wgo n ASN 78 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1wgo h LEU 79 N 0.00 -0.26 -2.86 -4.53 5.85 -1.83 0.56 115.31 112.24 1wgo h LEU 79 Ca -0.05 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1wgo h LEU 79 Cb 0.62 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1wgo h LEU 79 CO 0.06 -0.10 0.00 0.71 -0.34 0.00 0.00 178.44 178.77 1wgo h THR 80 N 0.11 0.00 0.13 1.05 1.35 -1.85 -0.88 112.91 112.82 1wgo h THR 80 Ca 0.30 -0.02 -0.24 0.00 -0.55 0.00 0.00 66.41 65.90 1wgo h THR 80 Cb 0.47 0.99 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1wgo h THR 80 CO -0.49 0.00 -1.15 0.25 -0.25 0.00 0.00 175.52 173.88 1wgo h LEU 81 N 0.00 0.42 -0.88 3.87 6.46 -0.27 -3.31 115.31 121.60 1wgo h LEU 81 Ca 0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 57.88 56.87 1wgo h LEU 81 Cb 0.02 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1wgo h LEU 81 CO 0.00 1.52 0.00 0.71 -0.62 0.00 0.00 178.44 180.05 1wgo h THR 82 N -0.34 0.00 -0.78 1.05 1.35 -0.57 -3.46 112.91 110.16 1wgo h THR 82 Ca -0.23 -0.48 -0.20 0.00 -0.55 0.00 0.00 66.41 64.94 1wgo h THR 82 Cb 1.71 1.40 -0.08 0.00 -1.73 0.00 0.00 68.15 69.44 1wgo h THR 82 CO 0.10 0.00 -0.18 0.61 -0.25 0.00 0.00 175.52 175.80 1wgo n GLY 83 N 0.30 0.94 3.73 5.82 0.00 -0.40 -4.91 105.19 110.66 1wgo n GLY 83 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1wgo n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgo s GLU 84 N -2.65 4.46 1.19 1.61 -1.05 -1.26 -4.99 118.70 116.01 1wgo s GLU 84 Ca 0.00 0.99 -0.19 0.00 -0.15 0.00 0.00 54.97 55.62 1wgo s GLU 84 Cb 0.00 -3.42 0.28 0.00 -0.44 0.00 0.00 34.13 30.55 1wgo s GLU 84 CO 0.00 0.14 1.11 -1.25 0.95 0.00 0.00 175.26 176.20 1wgo s PRO 85 N 0.50 -1.09 -0.36 -4.83 0.04 -1.26 -4.80 135.00 123.20 1wgo s PRO 85 Ca 0.39 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1wgo s PRO 85 Cb -0.19 -1.61 0.10 0.00 0.04 0.00 0.00 34.50 32.84 1wgo s PRO 85 CO 0.21 -3.64 0.10 0.42 0.04 0.00 0.00 177.00 174.13 1wgo s ILE 86 N -3.00 2.80 -0.05 0.56 1.01 -0.98 -4.90 121.20 116.63 1wgo s ILE 86 Ca 0.70 -2.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.02 1wgo s ILE 86 Cb -0.11 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1wgo s ILE 86 CO 0.56 -0.54 0.91 -0.60 0.00 0.00 0.00 174.94 175.27 1wgo s ARG 87 N 1.06 4.48 -0.28 2.79 3.52 -1.26 -2.66 118.95 126.60 1wgo s ARG 87 Ca 0.06 1.26 -0.24 0.00 -0.13 0.00 0.00 55.73 56.68 1wgo s ARG 87 Cb -0.21 -3.49 0.10 0.00 -1.56 0.00 0.00 34.95 29.80 1wgo s ARG 87 CO -0.05 -0.11 0.91 -1.58 -0.81 0.00 0.00 175.30 173.66 1wgo s HIS 88 N 1.29 -0.62 0.33 5.12 2.46 -1.07 -4.98 115.29 117.81 1wgo s HIS 88 Ca 0.47 1.46 0.09 0.00 0.47 0.00 0.00 55.06 57.55 1wgo s HIS 88 Cb -0.19 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.56 1wgo s HIS 88 CO 0.22 -0.30 -0.00 -0.98 -2.47 0.00 0.00 174.74 171.21 1wgo s ARG 89 N 0.46 2.09 0.33 2.88 1.70 -1.26 0.12 118.95 125.26 1wgo s ARG 89 Ca 0.00 -1.70 0.08 0.00 -0.47 0.00 0.00 55.73 53.65 1wgo s ARG 89 Cb -0.05 -1.96 -0.04 0.00 -0.57 0.00 0.00 34.95 32.33 1wgo s ARG 89 CO -0.06 0.18 0.13 0.71 -1.08 0.00 0.00 175.30 175.19 1wgo s TYR 90 N -2.49 2.73 -0.26 5.89 2.02 -1.26 -4.95 117.35 119.03 1wgo s TYR 90 Ca 0.34 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.54 1wgo s TYR 90 Cb -0.01 -1.58 -0.12 0.00 -0.40 0.00 0.00 41.96 39.84 1wgo s TYR 90 CO 0.19 0.37 -0.30 0.39 -1.57 0.00 0.00 175.55 174.64 1wgo n GLU 91 N -1.13 0.58 -4.36 -0.62 1.02 -1.26 -2.33 120.64 112.53 1wgo n GLU 91 Ca -0.04 0.29 -0.24 0.00 -0.02 0.00 0.00 57.16 57.15 1wgo n GLU 91 Cb 0.61 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wgo s SER 92 N -7.23 2.96 0.50 1.62 1.04 -1.26 -4.64 113.70 106.68 1wgo s SER 92 Ca -0.36 -0.83 -0.21 0.00 0.48 0.00 0.00 55.95 55.03 1wgo s SER 92 Cb 0.13 -0.19 -0.07 0.00 0.10 0.00 0.00 66.02 65.99 1wgo s SER 92 CO 0.49 0.05 1.15 -2.16 0.98 0.00 0.00 173.24 173.75 1wgo s PRO 93 N -2.55 3.59 0.00 4.02 0.04 -1.26 -4.94 135.00 133.90 1wgo s PRO 93 Ca 0.16 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1wgo s PRO 93 Cb -0.07 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1wgo s PRO 93 CO 0.07 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1wgo n GLY 94 N 0.32 4.09 3.44 0.56 0.00 -1.15 -4.98 105.19 107.48 1wgo n GLY 94 Ca 0.09 -0.45 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.70 1.87 -4.66 -0.61 -0.00 -1.26 -4.41 119.36 109.59 1wgo n ILE 95 Ca 0.00 -0.50 -0.26 0.00 -0.00 0.00 0.00 62.75 61.99 1wgo n ILE 95 Cb 0.00 -0.28 -0.14 0.00 -0.00 0.00 0.00 39.64 39.22 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 -1.11 1.81 -0.43 1.39 2.02 0.58 -4.97 117.35 116.65 1wgo s TYR 96 Ca 0.62 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.86 1wgo s TYR 96 Cb -0.82 -1.08 0.09 0.00 -0.40 0.00 0.00 41.96 39.74 1wgo s TYR 96 CO 0.58 0.09 0.28 1.03 -1.57 0.00 0.00 175.55 175.95 1wgo s ARG 97 N -1.15 2.57 -0.04 -0.62 0.52 -1.25 -1.69 118.95 117.29 1wgo s ARG 97 Ca 0.07 -1.53 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1wgo s ARG 97 Cb -0.09 -3.81 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 1wgo s ARG 97 CO 0.02 -1.01 0.16 0.08 0.02 0.00 0.00 175.30 174.57 1wgo s VAL 98 N 1.41 5.40 0.31 3.52 1.01 -0.26 -3.37 120.40 128.42 1wgo s VAL 98 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1wgo s VAL 98 Cb -0.24 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1wgo s VAL 98 CO 0.01 0.40 0.33 -0.94 0.00 0.00 0.00 175.10 174.91 1wgo s SER 99 N -1.68 1.18 -0.28 3.32 1.04 -1.11 -0.09 113.70 116.07 1wgo s SER 99 Ca 0.24 -1.60 0.01 0.00 0.48 0.00 0.00 55.95 55.08 1wgo s SER 99 Cb -0.12 0.57 0.17 0.00 0.10 0.00 0.00 66.02 66.74 1wgo s SER 99 CO 0.15 -1.11 0.50 0.54 0.98 0.00 0.00 173.24 174.29 1wgo s VAL 100 N -3.43 -0.82 0.51 5.02 0.11 -0.87 -3.28 120.40 117.64 1wgo s VAL 100 Ca 0.37 -0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1wgo s VAL 100 Cb 0.02 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1wgo s VAL 100 CO 0.23 -0.10 0.86 -0.60 -3.33 0.00 0.00 175.10 172.16 1wgo s ARG 101 N 2.70 3.61 -0.30 1.54 3.52 -0.71 -1.79 118.95 127.52 1wgo s ARG 101 Ca 0.14 0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 56.07 1wgo s ARG 101 Cb -0.13 -2.29 0.15 0.00 -1.56 0.00 0.00 34.95 31.12 1wgo s ARG 101 CO -0.23 -0.28 0.67 0.00 -0.81 0.00 0.00 175.30 174.65 1wgo s ALA 102 N -2.81 -2.18 -0.21 6.12 0.00 -0.33 -2.29 121.76 120.07 1wgo s ALA 102 Ca 0.51 2.20 -0.02 0.00 0.00 0.00 0.00 51.96 54.64 1wgo s ALA 102 Cb -0.10 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.18 1wgo s ALA 102 CO 0.45 -1.03 0.04 -2.00 0.00 0.00 0.00 175.76 173.22 1wgo s GLU 103 N 2.86 0.68 0.41 0.00 2.12 -1.25 0.14 118.70 123.66 1wgo s GLU 103 Ca 0.00 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 54.88 1wgo s GLU 103 Cb -0.12 -2.08 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 1wgo s GLU 103 CO -0.19 -0.70 0.15 0.54 -0.54 0.00 0.00 175.26 174.52 1wgo s ASN 104 N 1.82 4.32 0.25 -1.70 4.22 0.96 -4.42 114.94 120.40 1wgo s ASN 104 Ca 0.01 -1.13 -0.03 0.00 -2.14 0.00 0.00 52.86 49.57 1wgo s ASN 104 Cb -0.17 -0.47 0.50 0.00 1.28 0.00 0.00 41.25 42.39 1wgo s ASN 104 CO -0.11 -0.53 1.72 0.74 -2.04 0.00 0.00 177.10 176.89 1wgo h THR 105 N 1.49 0.62 0.06 0.54 2.02 -1.92 -3.04 112.91 112.68 1wgo h THR 105 Ca -0.43 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1wgo h THR 105 Cb 1.25 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1wgo h THR 105 CO 0.72 0.08 -0.03 0.00 0.37 0.00 0.00 175.52 176.66 1wgo h ALA 106 N 1.58 -0.75 -3.00 6.16 0.00 -1.90 -3.50 119.26 117.85 1wgo h ALA 106 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1wgo h ALA 106 Cb 0.69 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wgo h ALA 106 CO -0.43 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 178.49 1wgo n GLY 107 N -0.22 5.09 3.42 0.00 0.00 -1.15 -4.80 105.19 107.53 1wgo n GLY 107 Ca -0.01 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 1.27 -0.50 -0.17 1.61 -3.43 -1.26 -0.02 115.29 112.78 1wgo s HIS 108 Ca 0.00 0.45 -0.12 0.00 -0.80 0.00 0.00 55.06 54.60 1wgo s HIS 108 Cb 0.00 0.45 0.05 0.00 -1.43 0.00 0.00 32.58 31.66 1wgo s HIS 108 CO 0.00 -0.75 0.42 0.34 -2.00 0.00 0.00 174.74 172.75 1wgo s ASP 109 N -2.32 -0.49 0.00 7.38 2.15 0.12 -4.73 116.67 118.79 1wgo s ASP 109 Ca -0.02 0.88 0.03 0.00 0.43 0.00 0.00 52.55 53.87 1wgo s ASP 109 Cb -0.00 0.82 -0.01 0.00 -0.30 0.00 0.00 42.92 43.42 1wgo s ASP 109 CO -0.06 -0.17 -0.09 -0.70 -0.17 0.00 0.00 175.17 173.97 1wgo s GLU 110 N 0.92 0.74 0.32 4.34 2.12 -1.26 -1.19 118.70 124.68 1wgo s GLU 110 Ca -0.06 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 54.94 1wgo s GLU 110 Cb -0.06 -0.70 -0.06 0.00 0.26 0.00 0.00 34.13 33.56 1wgo s GLU 110 CO -0.07 0.19 -0.01 0.00 -0.54 0.00 0.00 175.26 174.83 1wgo s ALA 111 N -0.34 2.47 -0.07 6.30 0.00 -0.74 -4.98 121.76 124.41 1wgo s ALA 111 Ca 0.03 -2.02 -0.03 0.00 0.00 0.00 0.00 51.96 49.94 1wgo s ALA 111 Cb -0.04 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1wgo s ALA 111 CO -0.00 -0.17 0.14 0.08 0.00 0.00 0.00 175.76 175.81 1wgo s VAL 112 N -3.07 -0.15 -0.06 0.00 1.01 -1.26 -2.06 120.40 114.81 1wgo s VAL 112 Ca 0.33 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1wgo s VAL 112 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1wgo s VAL 112 CO 0.14 0.11 -0.16 -0.22 0.00 0.00 0.00 175.10 174.98 1wgo s LEU 113 N 1.71 1.82 -0.15 3.92 0.20 0.87 -4.99 118.68 122.06 1wgo s LEU 113 Ca -0.03 -0.35 -0.11 0.00 0.69 0.00 0.00 54.13 54.33 1wgo s LEU 113 Cb -0.12 -0.95 -0.05 0.00 -0.43 0.00 0.00 46.19 44.64 1wgo s LEU 113 CO -0.06 0.10 0.20 -0.36 -0.29 0.00 0.00 176.35 175.94 1wgo s PHE 114 N 0.36 3.50 -0.18 5.38 0.40 -1.26 -1.10 117.98 125.07 1wgo s PHE 114 Ca -0.11 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.74 1wgo s PHE 114 Cb -0.14 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.25 1wgo s PHE 114 CO 0.04 0.41 -0.15 0.08 0.70 0.00 0.00 175.22 176.30 1wgo s VAL 115 N -0.06 1.80 -0.39 -0.44 1.01 -0.68 -4.99 120.40 116.65 1wgo s VAL 115 Ca 0.13 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1wgo s VAL 115 Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1wgo s VAL 115 CO 0.02 0.37 0.30 -1.58 0.00 0.00 0.00 175.10 174.21 1wgo s GLN 116 N 1.37 3.15 -0.36 2.72 0.74 -1.26 -0.31 119.66 125.72 1wgo s GLN 116 Ca 0.02 -0.87 -0.11 0.00 0.05 0.00 0.00 55.36 54.45 1wgo s GLN 116 Cb -0.14 -3.92 0.01 0.00 1.10 0.00 0.00 33.01 30.06 1wgo s GLN 116 CO -0.10 -0.66 0.21 0.54 -0.55 0.00 0.00 175.29 174.72 1wgo s VAL 117 N 1.74 4.77 0.01 1.34 0.11 -1.26 -3.70 120.40 123.42 1wgo s VAL 117 Ca 0.06 -0.63 -0.26 0.00 -2.93 0.00 0.00 61.98 58.22 1wgo s VAL 117 Cb -0.18 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1wgo s VAL 117 CO 0.11 -0.13 0.82 -0.55 -3.33 0.00 0.00 175.10 172.01 1wgo s SER 118 N 1.61 7.22 0.50 3.54 0.15 -0.46 -2.91 113.70 123.36 1wgo s SER 118 Ca 0.04 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1wgo s SER 118 Cb -0.18 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1wgo s SER 118 CO 0.07 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1wgo n GLY 119 N 2.68 0.19 3.57 9.45 0.00 -1.26 -4.07 105.19 115.74 1wgo n GLY 119 Ca 0.00 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.09 2.52 -0.14 1.61 0.04 -1.26 -4.92 135.00 130.77 1wgo s PRO 120 Ca 0.00 -0.68 0.02 0.00 0.04 0.00 0.00 61.00 60.38 1wgo s PRO 120 Cb 0.00 -5.14 0.01 0.00 0.04 0.00 0.00 34.50 29.41 1wgo s PRO 120 CO 0.00 -3.66 -0.19 -1.12 0.04 0.00 0.00 177.00 172.07 1wgo s SER 121 N 7.35 2.88 -0.19 6.66 0.01 -1.26 -5.02 113.70 124.13 1wgo s SER 121 Ca 0.69 -0.55 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 1wgo s SER 121 Cb -0.04 -1.32 -0.21 0.00 0.21 0.00 0.00 66.02 64.66 1wgo s SER 121 CO 0.06 0.04 0.26 0.77 0.41 0.00 0.00 173.24 174.78 1wgo h SER 122 N 7.48 0.07 0.00 2.44 4.64 -2.06 -3.55 113.55 122.58 1wgo h SER 122 Ca -0.34 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1wgo h SER 122 Cb 1.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1wgo h SER 122 CO 0.54 1.53 0.00 0.61 -0.87 0.00 0.00 176.83 178.65