#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 -0.45 -0.30 1.61 1.04 -1.26 -5.15 113.70 109.19 1wgo s SER 2 Ca 0.00 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.11 1wgo s SER 2 Cb 0.00 0.98 0.18 0.00 0.10 0.00 0.00 66.02 67.28 1wgo s SER 2 CO 0.00 -0.13 0.95 -0.55 0.98 0.00 0.00 173.24 174.49 1wgo s SER 3 N 0.73 -0.65 0.00 7.02 0.15 -1.26 -5.16 113.70 114.54 1wgo s SER 3 Ca -0.02 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1wgo s SER 3 Cb -0.04 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 1wgo s SER 3 CO -0.11 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1wgo n GLY 4 N 5.35 0.83 3.44 9.45 0.00 -1.26 -5.16 105.19 117.84 1wgo n GLY 4 Ca -0.06 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.01 0.01 1.61 0.01 -1.26 -5.17 113.70 107.89 1wgo s SER 5 Ca 0.00 1.14 -0.29 0.00 1.31 0.00 0.00 55.95 58.10 1wgo s SER 5 Cb 0.00 2.05 0.11 0.00 0.21 0.00 0.00 66.02 68.39 1wgo s SER 5 CO 0.00 -0.19 1.24 -0.94 0.41 0.00 0.00 173.24 173.76 1wgo s SER 6 N 2.79 -0.06 0.00 2.44 1.04 -1.26 -5.15 113.70 113.50 1wgo s SER 6 Ca 0.01 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1wgo s SER 6 Cb -0.11 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1wgo s SER 6 CO -0.18 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1wgo n GLY 7 N -0.56 -0.58 3.39 7.32 0.00 -1.26 -5.16 105.19 108.33 1wgo n GLY 7 Ca -0.06 0.77 0.02 0.00 0.00 0.00 0.00 46.02 46.75 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 2.84 3.28 0.30 0.00 2.12 -1.26 -5.12 118.70 120.86 1wgo s GLU 9 Ca 0.05 -0.45 0.07 0.00 0.36 0.00 0.00 54.97 55.00 1wgo s GLU 9 Cb -0.12 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 1wgo s GLU 9 CO -0.19 0.63 0.27 0.20 -0.54 0.00 0.00 175.26 175.62 1wgo s GLY 10 N -2.18 1.60 -0.59 -1.50 0.00 -1.26 -5.06 107.32 98.33 1wgo s GLY 10 Ca 0.30 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1wgo s GLY 10 CO 0.22 -1.51 1.09 0.61 0.00 0.00 0.00 173.10 173.51 1wgo n GLY 11 N -1.31 5.75 3.35 0.20 0.00 -1.26 -4.99 105.19 106.93 1wgo n GLY 11 Ca -0.04 -2.76 -0.09 0.00 0.00 0.00 0.00 46.02 43.13 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 -4.72 -0.13 -0.03 1.61 0.11 -1.26 -5.16 120.40 110.82 1wgo s VAL 12 Ca 0.48 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 1wgo s VAL 12 Cb 0.30 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1wgo s VAL 12 CO -0.16 0.03 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.79 1wgo s ASP 13 N 1.65 4.83 -0.85 3.54 1.01 -1.26 -5.05 116.67 120.52 1wgo s ASP 13 Ca -0.09 -0.03 -0.25 0.00 0.71 0.00 0.00 52.55 52.89 1wgo s ASP 13 Cb -0.08 -1.22 0.02 0.00 1.01 0.00 0.00 42.92 42.64 1wgo s ASP 13 CO -0.14 0.32 1.55 -0.04 0.21 0.00 0.00 175.17 177.07 1wgo s MET 14 N -1.17 3.14 0.00 8.23 -1.94 -1.26 -4.60 119.30 121.70 1wgo s MET 14 Ca 0.15 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 1wgo s MET 14 Cb -0.11 -4.81 0.00 0.00 2.01 0.00 0.00 34.83 31.92 1wgo s MET 14 CO 0.05 -2.48 0.00 0.00 -0.01 0.00 0.00 175.02 172.58 1wgo n GLN 15 N 9.08 0.00 -4.42 2.03 10.64 -1.26 -5.08 117.38 128.36 1wgo n GLN 15 Ca 0.23 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 55.14 1wgo n GLN 15 Cb 0.50 -0.76 -0.11 0.00 -0.86 0.00 0.00 30.24 29.01 1wgo n GLN 15 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1wgo s GLN 16 N -1.91 1.53 -0.24 2.61 0.74 -1.26 -5.06 119.66 116.06 1wgo s GLN 16 Ca 0.00 -1.56 -0.07 0.00 0.05 0.00 0.00 55.36 53.78 1wgo s GLN 16 Cb 0.00 -1.79 -0.17 0.00 1.10 0.00 0.00 33.01 32.15 1wgo s GLN 16 CO 0.00 0.38 -0.15 0.45 -0.55 0.00 0.00 175.29 175.42 1wgo n SER 17 N 0.11 1.98 -3.85 6.67 2.88 -1.26 -5.05 113.62 115.10 1wgo n SER 17 Ca -0.11 0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1wgo n SER 17 Cb 0.57 -0.66 -0.06 0.00 -0.75 0.00 0.00 64.21 63.31 1wgo n SER 17 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wgo s GLN 18 N -2.51 1.14 0.62 -1.46 -1.52 -1.26 -5.02 119.66 109.66 1wgo s GLN 18 Ca -0.34 -1.01 0.29 0.00 -1.95 0.00 0.00 55.36 52.35 1wgo s GLN 18 Cb 0.10 0.41 1.52 0.00 -0.22 0.00 0.00 33.01 34.83 1wgo s GLN 18 CO 0.59 -0.43 1.89 -0.39 -0.25 0.00 0.00 175.29 176.70 1wgo h VAL 19 N 2.48 0.20 -3.61 1.09 -1.51 -2.00 -3.40 116.25 109.50 1wgo h VAL 19 Ca -0.32 0.00 -0.51 0.00 -1.23 0.00 0.00 66.70 64.64 1wgo h VAL 19 Cb 1.23 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1wgo h VAL 19 CO 0.47 0.00 0.37 0.00 -1.23 0.00 0.00 177.57 177.18 1wgo s GLN 20 N -4.37 4.72 -0.06 5.19 -2.07 -1.26 -4.98 119.66 116.83 1wgo s GLN 20 Ca -0.04 1.49 -0.27 0.00 -1.82 0.00 0.00 55.36 54.73 1wgo s GLN 20 Cb 0.12 -3.34 -0.22 0.00 -1.09 0.00 0.00 33.01 28.47 1wgo s GLN 20 CO 0.42 0.26 1.10 -0.07 -1.32 0.00 0.00 175.29 175.67 1wgo h LEU 21 N 5.21 0.01 -9.69 2.60 4.07 -2.05 -3.45 115.31 112.01 1wgo h LEU 21 Ca -0.43 -0.66 -0.54 0.00 0.08 0.00 0.00 57.88 56.32 1wgo h LEU 21 Cb 1.21 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 1wgo h LEU 21 CO 0.71 0.67 0.12 -1.10 -1.08 0.00 0.00 178.44 177.76 1wgo s GLN 22 N -3.55 4.46 0.50 1.13 -0.21 -1.26 -5.06 119.66 115.68 1wgo s GLN 22 Ca -0.17 1.03 -0.18 0.00 0.02 0.00 0.00 55.36 56.06 1wgo s GLN 22 Cb 0.00 -3.27 -0.08 0.00 1.00 0.00 0.00 33.01 30.66 1wgo s GLN 22 CO 0.68 0.55 1.00 0.00 -2.12 0.00 0.00 175.29 175.40 1wgo s PRO 24 N -3.67 -0.67 0.18 0.00 0.04 -1.26 -5.09 135.00 124.53 1wgo s PRO 24 Ca 0.62 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1wgo s PRO 24 Cb -0.12 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wgo s PRO 24 CO 0.25 -3.38 0.35 -0.48 0.04 0.00 0.00 177.00 173.78 1wgo s LEU 25 N -6.78 0.72 0.22 -3.56 2.34 -1.26 -5.18 118.68 105.18 1wgo s LEU 25 Ca 0.69 -0.79 0.07 0.00 0.06 0.00 0.00 54.13 54.16 1wgo s LEU 25 Cb -0.13 1.44 -0.04 0.00 -0.56 0.00 0.00 46.19 46.91 1wgo s LEU 25 CO 0.57 -0.95 0.13 0.42 -1.06 0.00 0.00 176.35 175.46 1wgo s THR 26 N -3.95 4.25 0.95 5.48 -4.23 -1.26 -5.00 115.64 111.88 1wgo s THR 26 Ca 0.16 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 1wgo s THR 26 Cb 0.02 -3.24 0.16 0.00 1.34 0.00 0.00 72.50 70.78 1wgo s THR 26 CO -0.00 -0.26 1.09 -2.16 -0.54 0.00 0.00 174.62 172.75 1wgo s PRO 27 N -3.51 0.82 -0.09 3.99 0.04 -1.26 -4.77 135.00 130.21 1wgo s PRO 27 Ca 0.31 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1wgo s PRO 27 Cb -0.08 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1wgo s PRO 27 CO 0.23 -2.50 1.52 -1.25 0.04 0.00 0.00 177.00 175.04 1wgo s PRO 28 N -4.95 4.19 -0.03 0.56 0.04 -1.26 -4.95 135.00 128.60 1wgo s PRO 28 Ca 0.64 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.72 1wgo s PRO 28 Cb -0.18 -3.91 -0.00 0.00 0.04 0.00 0.00 34.50 30.44 1wgo s PRO 28 CO 0.57 -0.81 -0.13 0.50 0.04 0.00 0.00 177.00 177.17 1wgo s ARG 29 N 3.86 1.37 0.00 4.56 3.52 -1.26 -4.68 118.95 126.32 1wgo s ARG 29 Ca 0.67 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1wgo s ARG 29 Cb -0.29 -1.23 0.00 0.00 -1.56 0.00 0.00 34.95 31.87 1wgo s ARG 29 CO 0.24 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 1wgo n GLY 30 N 3.20 1.09 3.56 8.12 0.00 -1.26 -3.51 105.19 116.38 1wgo n GLY 30 Ca -0.18 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.11 4.35 -0.09 0.99 1.98 -1.26 -4.07 118.68 120.47 1wgo s LEU 31 Ca 0.00 -0.03 -0.30 0.00 -2.89 0.00 0.00 54.13 50.91 1wgo s LEU 31 Cb 0.00 -2.62 0.08 0.00 0.66 0.00 0.00 46.19 44.31 1wgo s LEU 31 CO 0.00 -0.52 0.73 -1.58 -1.89 0.00 0.00 176.35 173.09 1wgo s GLN 32 N 2.46 0.97 0.12 1.98 0.74 -1.26 -4.35 119.66 120.31 1wgo s GLN 32 Ca 0.20 0.34 -0.05 0.00 0.05 0.00 0.00 55.36 55.90 1wgo s GLN 32 Cb -0.15 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.36 1wgo s GLN 32 CO 0.14 -0.28 0.36 0.14 -0.55 0.00 0.00 175.29 175.10 1wgo s VAL 33 N -0.96 5.18 0.09 1.34 -7.23 -1.26 -4.38 120.40 113.18 1wgo s VAL 33 Ca -0.08 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1wgo s VAL 33 Cb -0.01 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 1wgo s VAL 33 CO 0.08 0.11 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.48 1wgo s SER 34 N -2.27 1.00 -0.23 4.85 0.01 -0.89 -4.97 113.70 111.20 1wgo s SER 34 Ca 0.38 -0.99 -0.08 0.00 1.31 0.00 0.00 55.95 56.57 1wgo s SER 34 Cb -0.13 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 1wgo s SER 34 CO 0.23 -0.48 0.08 -0.63 0.41 0.00 0.00 173.24 172.85 1wgo s ILE 35 N -3.61 4.57 -0.81 1.44 1.01 -1.26 0.07 121.20 122.61 1wgo s ILE 35 Ca 0.10 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1wgo s ILE 35 Cb 0.05 -3.12 -0.17 0.00 0.01 0.00 0.00 42.46 39.23 1wgo s ILE 35 CO -0.06 0.37 2.58 1.67 0.00 0.00 0.00 174.94 179.50 1wgo n GLN 36 N 4.50 0.33 -0.16 2.79 -0.06 -0.27 -4.18 117.38 120.33 1wgo n GLN 36 Ca -0.16 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 1wgo n GLN 36 Cb 0.52 -2.08 0.00 0.00 -4.06 0.00 0.00 30.24 24.62 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 6.41 -1.96 3.57 1.69 0.00 -1.26 -4.86 105.19 108.78 1wgo n GLY 37 Ca 0.57 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 0.73 1.66 -4.17 1.61 4.07 -1.26 -4.95 120.64 118.33 1wgo n GLU 38 Ca 0.00 0.39 -0.23 0.00 -0.06 0.00 0.00 57.16 57.27 1wgo n GLU 38 Cb 0.00 -3.18 -0.06 0.00 -0.06 0.00 0.00 31.44 28.14 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 9.02 3.40 0.01 4.31 0.00 -1.26 -5.07 121.76 132.17 1wgo s ALA 39 Ca 1.02 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1wgo s ALA 39 Cb -0.37 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1wgo s ALA 39 CO 0.35 0.20 -0.10 0.28 0.00 0.00 0.00 175.76 176.49 1wgo n VAL 40 N -1.06 1.16 -3.80 0.00 0.31 -1.26 -5.02 118.33 108.66 1wgo n VAL 40 Ca -0.06 0.30 -0.28 0.00 -0.01 0.00 0.00 64.34 64.30 1wgo n VAL 40 Cb 0.59 -1.76 -0.16 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.31 1.20 0.35 3.52 0.00 -1.26 -4.77 121.76 118.49 1wgo s ALA 41 Ca -0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1wgo s ALA 41 Cb 0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1wgo s ALA 41 CO 0.13 -1.01 0.62 0.08 0.00 0.00 0.00 175.76 175.58 1wgo s VAL 42 N 1.76 4.98 0.15 0.00 1.01 -1.12 -4.85 120.40 122.34 1wgo s VAL 42 Ca -0.01 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1wgo s VAL 42 Cb -0.16 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1wgo s VAL 42 CO -0.07 -0.48 0.51 -0.13 0.00 0.00 0.00 175.10 174.93 1wgo s ARG 43 N -3.93 3.88 -0.81 2.72 3.00 -1.26 -2.29 118.95 120.25 1wgo s ARG 43 Ca 0.45 0.35 -0.25 0.00 0.00 0.00 0.00 55.73 56.28 1wgo s ARG 43 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 34.95 31.94 1wgo s ARG 43 CO 0.34 0.45 1.92 -1.25 0.00 0.00 0.00 175.30 176.76 1wgo s PRO 44 N -2.19 2.58 0.00 3.54 0.04 -1.26 -2.82 135.00 134.89 1wgo s PRO 44 Ca 0.39 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1wgo s PRO 44 Cb -0.14 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1wgo s PRO 44 CO 0.20 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1wgo n GLY 45 N 6.49 2.61 3.63 0.56 0.00 -0.79 -4.82 105.19 112.86 1wgo n GLY 45 Ca 0.34 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 3.82 0.08 1.61 2.02 -1.13 -4.49 118.70 120.62 1wgo s GLU 46 Ca 0.00 1.31 -0.32 0.00 0.02 0.00 0.00 54.97 55.98 1wgo s GLU 46 Cb 0.00 -3.95 -0.12 0.00 0.10 0.00 0.00 34.13 30.17 1wgo s GLU 46 CO 0.00 -1.24 1.80 -0.40 0.02 0.00 0.00 175.26 175.44 1wgo n ASP 47 N 8.06 3.71 -4.82 -0.19 5.68 -1.26 -4.66 116.55 123.07 1wgo n ASP 47 Ca 0.16 1.00 -0.38 0.00 -0.50 0.00 0.00 54.79 55.07 1wgo n ASP 47 Cb 0.46 -1.48 -0.06 0.00 -1.14 0.00 0.00 41.12 38.91 1wgo n ASP 47 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1wgo s VAL 48 N 2.75 4.98 -0.22 2.12 0.11 -0.85 -4.81 120.40 124.48 1wgo s VAL 48 Ca 0.84 0.92 -0.13 0.00 -2.93 0.00 0.00 61.98 60.68 1wgo s VAL 48 Cb -0.57 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1wgo s VAL 48 CO 0.41 0.56 0.29 -0.76 -3.33 0.00 0.00 175.10 172.26 1wgo s LEU 49 N -0.96 4.13 -0.28 2.54 2.01 -1.26 -3.41 118.68 121.45 1wgo s LEU 49 Ca 0.25 0.32 -0.05 0.00 0.01 0.00 0.00 54.13 54.66 1wgo s LEU 49 Cb -0.17 -2.32 0.01 0.00 0.01 0.00 0.00 46.19 43.72 1wgo s LEU 49 CO 0.14 -0.02 0.04 -0.36 1.01 0.00 0.00 176.35 177.17 1wgo s PHE 50 N 1.22 3.13 0.14 0.29 0.08 -1.18 -1.12 117.98 120.56 1wgo s PHE 50 Ca 0.14 -1.15 -0.24 0.00 0.12 0.00 0.00 56.93 55.79 1wgo s PHE 50 Cb -0.14 -2.20 -0.08 0.00 -0.57 0.00 0.00 43.02 40.03 1wgo s PHE 50 CO 0.06 -0.62 0.73 0.08 -0.10 0.00 0.00 175.22 175.38 1wgo s VAL 51 N 1.45 4.45 -0.04 -0.44 1.01 0.11 -2.92 120.40 124.02 1wgo s VAL 51 Ca 0.02 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.66 1wgo s VAL 51 Cb -0.17 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1wgo s VAL 51 CO 0.01 0.52 -0.22 0.54 0.00 0.00 0.00 175.10 175.95 1wgo s VAL 52 N -1.10 1.77 -0.11 2.92 0.11 -1.26 -2.09 120.40 120.64 1wgo s VAL 52 Ca 0.34 -0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 58.19 1wgo s VAL 52 Cb -0.22 -1.50 0.07 0.00 -1.53 0.00 0.00 36.38 33.20 1wgo s VAL 52 CO 0.25 0.50 0.66 -0.60 -3.33 0.00 0.00 175.10 172.57 1wgo s ARG 53 N -0.22 0.95 0.08 1.54 6.06 -1.26 -4.29 118.95 121.81 1wgo s ARG 53 Ca 0.00 0.45 0.07 0.00 -2.50 0.00 0.00 55.73 53.75 1wgo s ARG 53 Cb -0.11 0.45 -0.03 0.00 0.06 0.00 0.00 34.95 35.32 1wgo s ARG 53 CO 0.02 -0.25 -0.18 -1.14 -2.50 0.00 0.00 175.30 171.26 1wgo s GLN 54 N -0.71 1.02 -0.01 5.12 0.74 -1.26 -4.33 119.66 120.23 1wgo s GLN 54 Ca -0.08 -1.00 -0.24 0.00 0.05 0.00 0.00 55.36 54.09 1wgo s GLN 54 Cb -0.02 -1.15 -0.17 0.00 1.10 0.00 0.00 33.01 32.77 1wgo s GLN 54 CO 0.07 0.27 1.19 0.93 -0.55 0.00 0.00 175.29 177.20 1wgo h GLU 55 N 4.38 -0.22 0.00 1.67 4.39 -1.70 -3.37 114.58 119.72 1wgo h GLU 55 Ca -0.43 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.21 1wgo h GLU 55 Cb 1.18 0.05 -0.16 0.00 -0.10 0.00 0.00 28.75 29.72 1wgo h GLU 55 CO 0.41 0.16 -0.71 0.94 -1.16 0.00 0.00 179.01 178.64 1wgo n GLN 56 N -5.00 0.88 -0.08 2.33 7.27 -1.26 -4.81 117.38 116.71 1wgo n GLN 56 Ca -0.09 -2.69 -0.22 0.00 0.07 0.00 0.00 57.00 54.07 1wgo n GLN 56 Cb 0.25 -0.92 -0.12 0.00 2.41 0.00 0.00 30.24 31.86 1wgo n GLN 56 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1wgo h GLY 57 N 0.95 0.06 0.01 1.69 0.00 -1.86 -3.36 103.07 100.56 1wgo h GLY 57 Ca -0.10 -0.16 0.23 0.00 0.00 0.00 0.00 47.33 47.31 1wgo h GLY 57 CO 0.04 0.14 0.63 -0.55 0.00 0.00 0.00 176.54 176.80 1wgo h ASP 58 N -0.79 0.57 0.23 0.19 3.32 -1.88 0.53 116.42 118.59 1wgo h ASP 58 Ca -0.36 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 1wgo h ASP 58 Cb 1.45 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 1wgo h ASP 58 CO -0.15 0.16 -0.19 1.62 -1.72 0.00 0.00 179.24 178.95 1wgo h VAL 59 N 0.53 1.04 -3.62 -1.35 3.04 -1.92 -3.39 116.25 110.58 1wgo h VAL 59 Ca 0.58 -0.68 -0.64 0.00 -1.01 0.00 0.00 66.70 64.95 1wgo h VAL 59 Cb 1.24 1.38 -0.37 0.00 -2.01 0.00 0.00 31.29 31.52 1wgo h VAL 59 CO -0.32 0.19 -0.80 -0.22 -1.01 0.00 0.00 177.57 175.40 1wgo s LEU 60 N -8.34 2.78 -0.44 3.16 2.96 0.18 -5.07 118.68 113.92 1wgo s LEU 60 Ca -0.04 -1.14 -0.41 0.00 -0.22 0.00 0.00 54.13 52.32 1wgo s LEU 60 Cb 0.15 -1.35 -0.17 0.00 0.50 0.00 0.00 46.19 45.33 1wgo s LEU 60 CO 0.68 -0.18 2.07 0.41 -1.32 0.00 0.00 176.35 178.02 1wgo n THR 61 N 4.58 0.08 -4.52 3.68 -1.04 -1.25 -4.77 114.28 111.05 1wgo n THR 61 Ca -0.14 -0.08 -0.21 0.00 -2.04 0.00 0.00 64.05 61.58 1wgo n THR 61 Cb 0.44 -0.90 -0.15 0.00 -1.82 0.00 0.00 70.33 67.90 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 5.92 0.92 0.29 12.58 2.01 -1.26 -4.90 115.64 131.21 1wgo s THR 62 Ca 1.14 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 1wgo s THR 62 Cb -1.27 -0.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.37 1wgo s THR 62 CO 0.62 0.26 0.83 -0.75 -0.69 0.00 0.00 174.62 174.90 1wgo s LYS 63 N -0.23 4.33 0.02 4.92 2.47 -1.26 -4.02 119.74 125.97 1wgo s LYS 63 Ca 0.04 1.03 0.05 0.00 -1.56 0.00 0.00 55.97 55.53 1wgo s LYS 63 Cb -0.05 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.59 1wgo s LYS 63 CO -0.00 0.27 -0.15 0.71 0.16 0.00 0.00 175.35 176.34 1wgo s TYR 64 N -1.69 1.28 0.03 4.03 2.02 -1.25 -3.84 117.35 117.94 1wgo s TYR 64 Ca 0.49 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.95 1wgo s TYR 64 Cb -0.16 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1wgo s TYR 64 CO 0.20 0.02 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.86 1wgo s GLN 65 N -0.87 2.04 -0.25 -0.62 -0.44 0.36 -2.97 119.66 116.91 1wgo s GLN 65 Ca 0.03 -0.99 0.01 0.00 -2.50 0.00 0.00 55.36 51.91 1wgo s GLN 65 Cb -0.07 -2.14 0.04 0.00 -1.64 0.00 0.00 33.01 29.20 1wgo s GLN 65 CO 0.01 0.54 -0.10 0.08 0.50 0.00 0.00 175.29 176.32 1wgo s VAL 66 N -0.87 2.46 -0.34 1.34 1.01 -0.92 -2.39 120.40 120.70 1wgo s VAL 66 Ca 0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 1wgo s VAL 66 Cb -0.10 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wgo s VAL 66 CO 0.04 0.13 0.10 -0.62 0.00 0.00 0.00 175.10 174.75 1wgo s ASP 67 N 1.22 5.29 0.08 3.32 2.15 -0.92 -3.36 116.67 124.45 1wgo s ASP 67 Ca -0.03 -1.19 -0.07 0.00 0.43 0.00 0.00 52.55 51.69 1wgo s ASP 67 Cb -0.18 -1.86 -0.24 0.00 -0.30 0.00 0.00 42.92 40.34 1wgo s ASP 67 CO -0.06 -0.33 1.16 -0.07 -0.17 0.00 0.00 175.17 175.70 1wgo h LEU 68 N 8.20 0.56 0.00 -1.34 -0.00 -1.79 -2.71 115.31 118.22 1wgo h LEU 68 Ca -0.23 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.10 1wgo h LEU 68 Cb 1.08 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1wgo h LEU 68 CO 0.60 1.40 0.00 0.61 -0.00 0.00 0.00 178.44 181.05 1wgo n GLY 69 N 1.39 0.77 0.75 0.83 0.00 -1.25 -4.18 105.19 103.50 1wgo n GLY 69 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.80 0.00 1.61 -0.08 -1.26 -4.85 116.55 114.77 1wgo n ASP 70 Ca 0.00 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.89 1wgo n ASP 70 Cb 0.00 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 42.91 1wgo n ASP 70 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wgo n GLY 71 N -1.00 0.83 3.27 0.27 0.00 -1.26 -5.06 105.19 102.23 1wgo n GLY 71 Ca 0.24 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 3.03 -0.21 1.61 5.36 -1.26 -5.08 117.98 119.42 1wgo s PHE 72 Ca 0.00 -1.21 0.01 0.00 -0.96 0.00 0.00 56.93 54.78 1wgo s PHE 72 Cb 0.00 -2.11 0.04 0.00 -0.34 0.00 0.00 43.02 40.61 1wgo s PHE 72 CO 0.00 -0.63 -0.12 0.15 -1.46 0.00 0.00 175.22 173.16 1wgo s LYS 73 N 1.42 2.25 0.02 10.12 1.02 -1.26 -3.16 119.74 130.15 1wgo s LYS 73 Ca 0.03 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.08 1wgo s LYS 73 Cb -0.16 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1wgo s LYS 73 CO -0.03 -0.42 -0.04 0.00 -0.92 0.00 0.00 175.35 173.94 1wgo s ALA 74 N 1.31 0.24 -0.16 5.17 0.00 -1.21 -5.10 121.76 122.01 1wgo s ALA 74 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1wgo s ALA 74 Cb -0.16 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1wgo s ALA 74 CO -0.08 -0.11 -0.13 1.41 0.00 0.00 0.00 175.76 176.85 1wgo s MET 75 N -1.38 2.23 -0.15 0.00 0.00 -1.26 -2.15 119.30 116.58 1wgo s MET 75 Ca -0.13 -0.62 0.01 0.00 0.00 0.00 0.00 55.69 54.94 1wgo s MET 75 Cb -0.09 -2.18 0.02 0.00 0.00 0.00 0.00 34.83 32.58 1wgo s MET 75 CO -0.01 -0.28 -0.17 0.71 0.00 0.00 0.00 175.02 175.27 1wgo s TYR 76 N 1.47 2.39 0.45 4.11 2.02 -1.16 -5.02 117.35 121.61 1wgo s TYR 76 Ca 0.04 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 55.41 1wgo s TYR 76 Cb -0.14 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1wgo s TYR 76 CO -0.10 -0.68 0.67 0.54 -1.57 0.00 0.00 175.55 174.41 1wgo s VAL 77 N 1.29 4.01 -1.19 0.71 0.11 -1.26 -3.74 120.40 120.33 1wgo s VAL 77 Ca 0.02 -0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 58.44 1wgo s VAL 77 Cb -0.13 -3.48 0.15 0.00 -1.53 0.00 0.00 36.38 31.38 1wgo s VAL 77 CO -0.09 -0.34 0.38 0.59 -3.33 0.00 0.00 175.10 172.30 1wgo n ASN 78 N -2.08 -1.39 0.18 3.54 3.02 -1.26 -4.79 115.26 112.48 1wgo n ASN 78 Ca 0.01 -0.67 -0.14 0.00 -0.03 0.00 0.00 54.58 53.76 1wgo n ASN 78 Cb 0.58 -1.25 -0.08 0.00 -0.61 0.00 0.00 39.78 38.42 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 -0.55 -1.13 -0.35 3.41 5.85 -1.90 0.20 115.31 120.84 1wgo h LEU 79 Ca -0.38 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1wgo h LEU 79 Cb 1.11 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1wgo h LEU 79 CO 0.57 -0.49 0.23 0.00 -0.34 0.00 0.00 178.44 178.40 1wgo h THR 80 N -0.72 1.08 -0.77 1.05 1.03 -1.85 0.17 112.91 112.90 1wgo h THR 80 Ca -0.03 -0.16 0.16 0.00 -0.01 0.00 0.00 66.41 66.37 1wgo h THR 80 Cb 0.65 0.58 -0.10 0.00 -1.07 0.00 0.00 68.15 68.20 1wgo h THR 80 CO -0.11 0.08 0.27 0.25 -0.01 0.00 0.00 175.52 176.01 1wgo h LEU 81 N 0.46 0.20 -0.38 0.00 6.46 -1.85 0.95 115.31 121.15 1wgo h LEU 81 Ca 0.13 0.13 -0.15 0.00 -0.12 0.00 0.00 57.88 57.87 1wgo h LEU 81 Cb -0.04 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1wgo h LEU 81 CO -0.04 0.04 -0.72 0.71 -0.62 0.00 0.00 178.44 177.82 1wgo h THR 82 N 0.38 1.39 -0.95 1.05 1.35 -0.56 -3.48 112.91 112.10 1wgo h THR 82 Ca 0.44 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1wgo h THR 82 Cb 0.71 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1wgo h THR 82 CO -0.46 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 1wgo n GLY 83 N 0.81 0.94 3.21 5.82 0.00 0.33 -5.06 105.19 111.23 1wgo n GLY 83 Ca -0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.49 3.16 1.24 1.61 0.41 -1.08 -5.04 118.70 114.51 1wgo s GLU 84 Ca 0.00 -0.74 -0.21 0.00 -0.41 0.00 0.00 54.97 53.61 1wgo s GLU 84 Cb 0.00 -2.74 0.31 0.00 -1.78 0.00 0.00 34.13 29.91 1wgo s GLU 84 CO 0.00 -0.18 1.11 -1.25 -0.49 0.00 0.00 175.26 174.45 1wgo s PRO 85 N 1.31 -1.56 -0.38 0.39 0.04 -1.26 -4.73 135.00 128.80 1wgo s PRO 85 Ca 0.04 -0.18 -0.00 0.00 0.04 0.00 0.00 61.00 60.89 1wgo s PRO 85 Cb -0.14 -1.57 0.10 0.00 0.04 0.00 0.00 34.50 32.94 1wgo s PRO 85 CO -0.08 -3.91 0.14 0.42 0.04 0.00 0.00 177.00 173.61 1wgo s ILE 86 N -3.01 2.92 -0.23 0.56 1.01 -1.15 -4.94 121.20 116.36 1wgo s ILE 86 Ca 0.72 -2.14 -0.24 0.00 0.00 0.00 0.00 60.65 59.00 1wgo s ILE 86 Cb -0.08 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1wgo s ILE 86 CO 0.56 -0.64 0.78 -0.60 0.00 0.00 0.00 174.94 175.04 1wgo s ARG 87 N 1.06 4.20 -0.30 2.79 3.52 -1.26 -3.07 118.95 125.88 1wgo s ARG 87 Ca 0.09 0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 56.44 1wgo s ARG 87 Cb -0.21 -3.63 0.13 0.00 -1.56 0.00 0.00 34.95 29.68 1wgo s ARG 87 CO -0.05 -0.44 0.73 -1.58 -0.81 0.00 0.00 175.30 173.14 1wgo s HIS 88 N 2.57 -1.18 0.33 5.12 2.46 -1.22 -5.00 115.29 118.38 1wgo s HIS 88 Ca 0.34 2.07 0.08 0.00 0.47 0.00 0.00 55.06 58.01 1wgo s HIS 88 Cb -0.16 0.71 -0.03 0.00 -0.13 0.00 0.00 32.58 32.97 1wgo s HIS 88 CO 0.09 -0.58 0.24 -0.98 -2.47 0.00 0.00 174.74 171.03 1wgo s ARG 89 N 2.67 2.63 0.19 2.88 1.04 -1.26 -2.01 118.95 125.10 1wgo s ARG 89 Ca -0.06 -1.35 0.09 0.00 -1.04 0.00 0.00 55.73 53.37 1wgo s ARG 89 Cb -0.10 -2.39 -0.04 0.00 -2.04 0.00 0.00 34.95 30.37 1wgo s ARG 89 CO -0.19 0.13 -0.07 0.71 -0.04 0.00 0.00 175.30 175.85 1wgo s TYR 90 N -2.32 2.67 -0.13 5.89 2.02 -1.26 -4.97 117.35 119.25 1wgo s TYR 90 Ca 0.39 -0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.81 1wgo s TYR 90 Cb -0.05 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1wgo s TYR 90 CO 0.25 0.53 -0.12 1.49 -1.57 0.00 0.00 175.55 176.13 1wgo h GLU 91 N 2.71 0.00 -6.18 -0.62 4.81 -1.94 -2.10 114.58 111.26 1wgo h GLU 91 Ca -0.46 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.18 1wgo h GLU 91 Cb 1.21 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 1wgo h GLU 91 CO 0.56 0.03 -0.57 -1.12 -0.73 0.00 0.00 179.01 177.19 1wgo s SER 92 N -5.73 5.56 0.91 1.04 0.01 -1.26 -4.59 113.70 109.64 1wgo s SER 92 Ca -0.12 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 1wgo s SER 92 Cb 0.02 -1.47 0.13 0.00 0.21 0.00 0.00 66.02 64.91 1wgo s SER 92 CO 0.19 0.09 1.09 -2.16 0.41 0.00 0.00 173.24 172.86 1wgo s PRO 93 N -2.97 1.17 0.00 12.44 0.04 -1.26 -4.92 135.00 139.49 1wgo s PRO 93 Ca 0.31 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1wgo s PRO 93 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1wgo s PRO 93 CO 0.23 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1wgo n GLY 94 N -1.13 4.29 3.67 0.56 0.00 -0.66 -5.03 105.19 106.89 1wgo n GLY 94 Ca 0.07 -1.20 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.93 1.06 -4.33 -0.61 -0.00 -1.26 -4.28 119.36 109.01 1wgo n ILE 95 Ca 0.00 -0.26 -0.27 0.00 -0.00 0.00 0.00 62.75 62.22 1wgo n ILE 95 Cb 0.00 -1.46 -0.10 0.00 -0.00 0.00 0.00 39.64 38.08 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 -0.17 2.54 -0.41 1.39 2.02 0.82 -4.95 117.35 118.59 1wgo s TYR 96 Ca 0.67 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 57.05 1wgo s TYR 96 Cb -0.65 -1.25 0.09 0.00 -0.40 0.00 0.00 41.96 39.76 1wgo s TYR 96 CO 0.51 0.51 0.23 0.50 -1.57 0.00 0.00 175.55 175.73 1wgo s ARG 97 N -2.79 2.39 -0.12 -0.62 3.52 -1.26 -1.08 118.95 118.99 1wgo s ARG 97 Ca 0.24 -1.59 -0.02 0.00 -0.13 0.00 0.00 55.73 54.22 1wgo s ARG 97 Cb -0.09 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1wgo s ARG 97 CO 0.14 -0.99 -0.05 0.08 -0.81 0.00 0.00 175.30 173.67 1wgo s VAL 98 N 1.31 3.83 0.18 7.11 1.01 0.54 -3.92 120.40 130.47 1wgo s VAL 98 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1wgo s VAL 98 Cb -0.23 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1wgo s VAL 98 CO -0.01 0.54 0.14 -0.44 0.00 0.00 0.00 175.10 175.33 1wgo s SER 99 N -0.09 0.17 -0.02 3.32 0.01 -1.02 0.11 113.70 116.17 1wgo s SER 99 Ca 0.02 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 56.00 1wgo s SER 99 Cb -0.13 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1wgo s SER 99 CO 0.03 -0.83 -0.09 0.54 0.41 0.00 0.00 173.24 173.30 1wgo s VAL 100 N -4.12 0.74 0.07 3.43 0.11 -0.72 -2.16 120.40 117.75 1wgo s VAL 100 Ca 0.34 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1wgo s VAL 100 Cb 0.07 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1wgo s VAL 100 CO 0.09 0.23 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.42 1wgo s ARG 101 N 0.16 2.36 -0.23 1.54 3.52 -1.01 -1.99 118.95 123.30 1wgo s ARG 101 Ca -0.02 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 54.58 1wgo s ARG 101 Cb -0.08 -2.42 0.08 0.00 -1.56 0.00 0.00 34.95 30.97 1wgo s ARG 101 CO 0.00 0.54 0.54 0.00 -0.81 0.00 0.00 175.30 175.58 1wgo s ALA 102 N -1.17 -1.49 -0.18 6.12 0.00 -0.15 -0.49 121.76 124.40 1wgo s ALA 102 Ca 0.21 1.94 -0.05 0.00 0.00 0.00 0.00 51.96 54.06 1wgo s ALA 102 Cb -0.11 -1.30 0.06 0.00 0.00 0.00 0.00 23.12 21.77 1wgo s ALA 102 CO 0.13 -0.50 0.10 -2.00 0.00 0.00 0.00 175.76 173.49 1wgo s GLU 103 N 1.95 0.08 0.46 0.00 2.12 -1.25 -0.02 118.70 122.04 1wgo s GLU 103 Ca -0.08 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.25 1wgo s GLU 103 Cb -0.09 -1.75 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 1wgo s GLU 103 CO -0.16 -0.68 0.29 0.54 -0.54 0.00 0.00 175.26 174.71 1wgo s ASN 104 N 2.16 4.63 0.17 -1.70 4.22 0.15 -4.52 114.94 120.03 1wgo s ASN 104 Ca 0.03 -1.09 -0.18 0.00 -2.14 0.00 0.00 52.86 49.48 1wgo s ASN 104 Cb -0.16 -0.14 0.09 0.00 1.28 0.00 0.00 41.25 42.32 1wgo s ASN 104 CO -0.10 -0.78 1.65 0.74 -2.04 0.00 0.00 177.10 176.57 1wgo h THR 105 N 1.10 0.52 0.00 0.54 2.02 -2.00 -3.14 112.91 111.95 1wgo h THR 105 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1wgo h THR 105 Cb 1.28 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1wgo h THR 105 CO 0.63 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.52 1wgo n ALA 106 N -2.77 -0.47 -2.99 6.16 0.00 -1.26 -5.00 120.51 114.18 1wgo n ALA 106 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wgo n ALA 106 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.89 5.09 3.33 0.00 0.00 -1.19 -4.89 105.19 106.64 1wgo n GLY 107 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 0.71 -0.10 0.06 1.61 -3.43 -1.26 0.29 115.29 113.17 1wgo s HIS 108 Ca 0.00 -0.24 -0.12 0.00 -0.80 0.00 0.00 55.06 53.90 1wgo s HIS 108 Cb 0.00 0.21 0.01 0.00 -1.43 0.00 0.00 32.58 31.37 1wgo s HIS 108 CO 0.00 -0.71 0.25 0.34 -2.00 0.00 0.00 174.74 172.63 1wgo s ASP 109 N -2.83 -0.04 -0.18 7.38 -1.08 0.97 -4.70 116.67 116.19 1wgo s ASP 109 Ca 0.05 -0.34 -0.16 0.00 -0.52 0.00 0.00 52.55 51.58 1wgo s ASP 109 Cb 0.02 0.34 0.05 0.00 -1.46 0.00 0.00 42.92 41.87 1wgo s ASP 109 CO -0.10 -0.63 0.48 -0.70 0.52 0.00 0.00 175.17 174.74 1wgo s GLU 110 N -2.87 0.55 0.31 4.34 2.12 -1.26 -0.98 118.70 120.91 1wgo s GLU 110 Ca -0.03 0.69 0.06 0.00 0.36 0.00 0.00 54.97 56.05 1wgo s GLU 110 Cb 0.00 0.24 -0.06 0.00 0.26 0.00 0.00 34.13 34.57 1wgo s GLU 110 CO -0.05 -0.08 -0.01 0.00 -0.54 0.00 0.00 175.26 174.58 1wgo s ALA 111 N 0.38 2.45 0.07 6.30 0.00 -0.84 -4.98 121.76 125.14 1wgo s ALA 111 Ca -0.01 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 49.97 1wgo s ALA 111 Cb -0.04 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1wgo s ALA 111 CO -0.01 -0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.58 1wgo s VAL 112 N -3.07 0.76 -0.25 0.00 1.01 -1.26 -1.76 120.40 115.83 1wgo s VAL 112 Ca 0.33 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1wgo s VAL 112 Cb 0.06 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.46 1wgo s VAL 112 CO 0.14 -0.49 0.59 -0.22 0.00 0.00 0.00 175.10 175.11 1wgo s LEU 113 N -2.10 -0.77 -0.26 3.92 0.20 0.30 -4.86 118.68 115.12 1wgo s LEU 113 Ca -0.01 1.33 -0.10 0.00 0.69 0.00 0.00 54.13 56.04 1wgo s LEU 113 Cb -0.05 2.03 -0.05 0.00 -0.43 0.00 0.00 46.19 47.68 1wgo s LEU 113 CO -0.00 -0.22 0.16 -0.36 -0.29 0.00 0.00 176.35 175.64 1wgo s PHE 114 N 1.96 3.25 -0.26 5.38 0.40 -1.26 -0.34 117.98 127.12 1wgo s PHE 114 Ca -0.08 0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.24 1wgo s PHE 114 Cb -0.08 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1wgo s PHE 114 CO -0.17 -0.07 0.29 0.08 0.70 0.00 0.00 175.22 176.05 1wgo s VAL 115 N 1.41 5.24 -0.32 -0.44 1.01 -0.24 -4.92 120.40 122.14 1wgo s VAL 115 Ca 0.07 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1wgo s VAL 115 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1wgo s VAL 115 CO 0.07 0.22 0.27 -1.58 0.00 0.00 0.00 175.10 174.09 1wgo s GLN 116 N 1.72 3.66 -0.24 2.72 0.74 -1.26 -0.13 119.66 126.87 1wgo s GLN 116 Ca 0.12 -0.46 0.02 0.00 0.05 0.00 0.00 55.36 55.09 1wgo s GLN 116 Cb -0.15 -3.76 0.06 0.00 1.10 0.00 0.00 33.01 30.25 1wgo s GLN 116 CO 0.09 -0.39 -0.09 0.54 -0.55 0.00 0.00 175.29 174.89 1wgo s VAL 117 N 1.84 1.87 -0.06 1.34 0.11 -1.26 -2.78 120.40 121.45 1wgo s VAL 117 Ca 0.08 -1.38 -0.11 0.00 -2.93 0.00 0.00 61.98 57.65 1wgo s VAL 117 Cb -0.17 -2.02 -0.05 0.00 -1.53 0.00 0.00 36.38 32.62 1wgo s VAL 117 CO 0.11 -0.01 0.27 -0.55 -3.33 0.00 0.00 175.10 171.59 1wgo s SER 118 N 1.25 6.59 1.18 3.54 0.15 -0.97 -1.65 113.70 123.79 1wgo s SER 118 Ca -0.06 0.71 -0.14 0.00 0.70 0.00 0.00 55.95 57.15 1wgo s SER 118 Cb -0.19 -2.16 0.26 0.00 -1.71 0.00 0.00 66.02 62.23 1wgo s SER 118 CO -0.06 0.36 0.83 0.61 1.20 0.00 0.00 173.24 176.18 1wgo n GLY 119 N 1.93 -2.15 3.66 9.45 0.00 -1.26 -4.34 105.19 112.48 1wgo n GLY 119 Ca -0.17 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.22 4.17 -0.01 1.61 0.04 -1.26 -4.98 135.00 130.35 1wgo s PRO 120 Ca 0.66 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.57 1wgo s PRO 120 Cb -0.23 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.34 1wgo s PRO 120 CO 0.66 -0.83 0.34 0.45 0.04 0.00 0.00 177.00 177.65 1wgo s SER 121 N 2.97 6.68 -0.60 6.66 0.15 -1.26 -4.98 113.70 123.32 1wgo s SER 121 Ca 0.67 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.83 1wgo s SER 121 Cb -0.29 -2.19 -0.13 0.00 -1.71 0.00 0.00 66.02 61.70 1wgo s SER 121 CO 0.25 0.32 2.44 -1.20 1.20 0.00 0.00 173.24 176.24 1wgo n SER 122 N 1.69 1.62 0.00 5.45 7.64 -1.26 -5.31 113.62 123.45 1wgo n SER 122 Ca -0.14 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1wgo n SER 122 Cb 0.53 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1wgo n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64