#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 6.16 0.04 1.61 0.01 -1.26 -5.05 113.70 115.21 1wgo s SER 2 Ca 0.00 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 1wgo s SER 2 Cb 0.00 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 1wgo s SER 2 CO 0.00 -0.46 -0.05 -1.20 0.41 0.00 0.00 173.24 171.94 1wgo n SER 3 N -1.97 0.95 0.00 2.44 7.64 -1.26 -5.17 113.62 116.26 1wgo n SER 3 Ca -0.02 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1wgo n SER 3 Cb 0.56 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 3.13 0.95 2.80 0.23 0.00 -1.26 -5.06 105.19 105.98 1wgo n GLY 4 Ca -0.02 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 1wgo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgo s SER 5 N -4.00 1.16 -0.23 1.61 1.04 -1.26 -5.01 113.70 107.00 1wgo s SER 5 Ca 0.00 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 1wgo s SER 5 Cb 0.00 0.66 -0.12 0.00 0.10 0.00 0.00 66.02 66.66 1wgo s SER 5 CO 0.00 -0.35 -0.26 -1.54 0.98 0.00 0.00 173.24 172.07 1wgo n SER 6 N 5.33 1.94 -3.60 7.02 3.41 -1.26 -5.03 113.62 121.44 1wgo n SER 6 Ca -0.03 0.11 -0.21 0.00 -0.26 0.00 0.00 58.87 58.47 1wgo n SER 6 Cb 0.48 -0.55 0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1wgo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgo n GLY 7 N 1.92 -0.40 3.90 5.00 0.00 -1.26 -4.98 105.19 109.36 1wgo n GLY 7 Ca -0.44 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.46 0.26 0.00 0.00 4.04 -1.26 -5.19 118.70 111.10 1wgo s GLU 9 Ca 0.60 0.45 0.00 0.00 0.04 0.00 0.00 54.97 56.06 1wgo s GLU 9 Cb -0.11 0.06 0.00 0.00 0.02 0.00 0.00 34.13 34.10 1wgo s GLU 9 CO 0.49 -0.05 0.00 0.41 -1.84 0.00 0.00 175.26 174.27 1wgo n GLY 10 N 3.38 -0.58 2.73 -3.83 0.00 -1.26 -5.11 105.19 100.52 1wgo n GLY 10 Ca -0.18 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 1.80 -0.06 -0.02 0.00 -1.26 -5.10 107.32 102.68 1wgo s GLY 11 Ca 0.00 -2.72 0.01 0.00 0.00 0.00 0.00 44.72 42.01 1wgo s GLY 11 CO 0.00 1.48 -0.06 0.14 0.00 0.00 0.00 173.10 174.67 1wgo s VAL 12 N 0.18 3.79 1.07 1.40 1.01 -1.26 -5.11 120.40 121.48 1wgo s VAL 12 Ca 0.19 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 1wgo s VAL 12 Cb -0.22 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.67 1wgo s VAL 12 CO -0.01 0.57 -0.16 -0.90 0.00 0.00 0.00 175.10 174.59 1wgo n ASP 13 N 2.12 -2.64 -3.42 3.32 5.75 -1.26 -5.04 116.55 115.38 1wgo n ASP 13 Ca -0.18 -0.18 -0.12 0.00 -0.01 0.00 0.00 54.79 54.30 1wgo n ASP 13 Cb 0.53 -0.83 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1wgo n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wgo s MET 14 N -3.22 1.86 -0.08 0.11 0.23 -1.26 -5.17 119.30 111.78 1wgo s MET 14 Ca 0.47 -1.55 0.05 0.00 -1.03 0.00 0.00 55.69 53.63 1wgo s MET 14 Cb -0.06 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.71 1wgo s MET 14 CO 0.57 -0.79 -0.24 1.14 -2.03 0.00 0.00 175.02 173.67 1wgo s GLN 15 N -3.21 2.81 0.41 3.16 -2.07 -1.26 -5.10 119.66 114.40 1wgo s GLN 15 Ca 0.26 -0.88 -0.23 0.00 -1.82 0.00 0.00 55.36 52.69 1wgo s GLN 15 Cb -0.01 -2.26 -0.12 0.00 -1.09 0.00 0.00 33.01 29.53 1wgo s GLN 15 CO 0.15 0.29 0.61 0.00 -1.32 0.00 0.00 175.29 175.03 1wgo n GLN 16 N 3.21 0.66 -3.74 9.60 0.00 -1.26 -4.97 117.38 120.88 1wgo n GLN 16 Ca -0.18 0.24 -0.30 0.00 0.00 0.00 0.00 57.00 56.76 1wgo n GLN 16 Cb 0.52 -1.57 -0.15 0.00 0.00 0.00 0.00 30.24 29.05 1wgo n GLN 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1wgo s SER 17 N -0.92 3.98 0.58 2.61 0.01 -1.26 -5.12 113.70 113.58 1wgo s SER 17 Ca 0.63 -1.84 -0.18 0.00 1.31 0.00 0.00 55.95 55.88 1wgo s SER 17 Cb -0.61 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1wgo s SER 17 CO 0.58 -0.39 1.14 -1.10 0.41 0.00 0.00 173.24 173.88 1wgo s GLN 18 N 1.37 3.12 0.35 12.44 1.11 -1.26 -5.00 119.66 131.79 1wgo s GLN 18 Ca 0.11 1.59 -0.26 0.00 0.01 0.00 0.00 55.36 56.82 1wgo s GLN 18 Cb -0.19 -1.98 -0.10 0.00 -1.01 0.00 0.00 33.01 29.74 1wgo s GLN 18 CO -0.20 -1.03 0.99 0.14 0.01 0.00 0.00 175.29 175.21 1wgo s VAL 19 N -1.89 3.99 -0.28 1.09 -7.23 -1.26 -4.98 120.40 109.84 1wgo s VAL 19 Ca 0.72 1.62 0.11 0.00 -1.81 0.00 0.00 61.98 62.62 1wgo s VAL 19 Cb -0.24 -3.89 0.47 0.00 0.56 0.00 0.00 36.38 33.28 1wgo s VAL 19 CO 0.32 0.10 1.17 1.67 -0.31 0.00 0.00 175.10 178.06 1wgo n GLN 20 N 0.37 3.18 -1.51 4.82 7.27 -1.26 -5.08 117.38 125.16 1wgo n GLN 20 Ca 0.03 -4.01 -0.43 0.00 0.07 0.00 0.00 57.00 52.66 1wgo n GLN 20 Cb 0.50 -2.12 -0.00 0.00 2.41 0.00 0.00 30.24 31.02 1wgo n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1wgo n LEU 21 N -0.69 0.84 -4.55 1.69 7.94 -1.26 -4.89 117.00 116.08 1wgo n LEU 21 Ca 0.36 1.03 -0.43 0.00 -1.11 0.00 0.00 56.01 55.86 1wgo n LEU 21 Cb 0.93 -1.19 -0.05 0.00 0.53 0.00 0.00 43.42 43.64 1wgo n LEU 21 CO 0.32 -2.23 0.64 -1.58 -1.11 0.00 0.00 177.39 173.43 1wgo s GLN 22 N -1.60 3.47 0.09 1.96 -0.44 -1.26 -5.03 119.66 116.86 1wgo s GLN 22 Ca 0.62 0.02 0.07 0.00 -2.50 0.00 0.00 55.36 53.57 1wgo s GLN 22 Cb -0.66 -3.93 -0.03 0.00 -1.64 0.00 0.00 33.01 26.76 1wgo s GLN 22 CO 0.58 -1.14 -0.17 0.00 0.50 0.00 0.00 175.29 175.05 1wgo s PRO 24 N -1.92 4.36 0.08 0.00 0.04 -1.26 -5.03 135.00 131.27 1wgo s PRO 24 Ca 0.03 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1wgo s PRO 24 Cb -0.10 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1wgo s PRO 24 CO 0.03 -0.33 0.22 -0.48 0.04 0.00 0.00 177.00 176.48 1wgo s LEU 25 N 0.51 1.27 0.03 -3.56 0.05 -1.26 -5.10 118.68 110.62 1wgo s LEU 25 Ca 0.60 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 54.30 1wgo s LEU 25 Cb -0.36 1.12 -0.02 0.00 -2.05 0.00 0.00 46.19 44.88 1wgo s LEU 25 CO 0.34 -0.70 -0.12 0.42 -0.55 0.00 0.00 176.35 175.74 1wgo s THR 26 N -3.48 0.93 0.50 5.48 -4.23 -1.26 -5.05 115.64 108.54 1wgo s THR 26 Ca 0.02 -0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1wgo s THR 26 Cb 0.03 -0.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 1wgo s THR 26 CO -0.09 -0.01 1.15 -2.16 -0.54 0.00 0.00 174.62 172.97 1wgo s PRO 27 N -0.99 3.54 0.19 3.99 0.04 -1.26 -4.74 135.00 135.77 1wgo s PRO 27 Ca 0.00 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1wgo s PRO 27 Cb -0.07 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1wgo s PRO 27 CO 0.01 -0.71 1.31 -1.25 0.04 0.00 0.00 177.00 176.40 1wgo s PRO 28 N -3.01 4.39 -0.11 0.56 0.04 -1.26 -4.90 135.00 130.71 1wgo s PRO 28 Ca 0.68 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.70 1wgo s PRO 28 Cb -0.26 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.12 1wgo s PRO 28 CO 0.31 -0.26 0.27 0.50 0.04 0.00 0.00 177.00 177.85 1wgo s ARG 29 N -0.01 0.26 0.00 4.56 6.06 -1.26 -4.61 118.95 123.96 1wgo s ARG 29 Ca 0.57 0.48 0.00 0.00 -2.50 0.00 0.00 55.73 54.28 1wgo s ARG 29 Cb -0.36 -0.00 0.00 0.00 0.06 0.00 0.00 34.95 34.65 1wgo s ARG 29 CO 0.37 -0.11 0.00 0.41 -2.50 0.00 0.00 175.30 173.47 1wgo n GLY 30 N 3.69 0.81 3.63 8.12 0.00 -1.26 -3.39 105.19 116.79 1wgo n GLY 30 Ca -0.20 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.25 4.07 -0.10 0.99 1.98 -1.26 -2.53 118.68 120.58 1wgo s LEU 31 Ca 0.00 0.83 -0.20 0.00 -2.89 0.00 0.00 54.13 51.86 1wgo s LEU 31 Cb 0.00 -2.97 0.05 0.00 0.66 0.00 0.00 46.19 43.93 1wgo s LEU 31 CO 0.00 -0.41 0.49 -1.58 -1.89 0.00 0.00 176.35 172.96 1wgo s GLN 32 N 2.56 0.74 0.12 1.98 0.74 -1.26 -4.48 119.66 120.07 1wgo s GLN 32 Ca 0.29 0.30 0.02 0.00 0.05 0.00 0.00 55.36 56.02 1wgo s GLN 32 Cb -0.15 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.27 1wgo s GLN 32 CO 0.08 -0.18 0.21 0.14 -0.55 0.00 0.00 175.29 175.00 1wgo s VAL 33 N -0.64 5.09 -0.05 1.34 -7.23 -1.26 -4.11 120.40 113.54 1wgo s VAL 33 Ca -0.07 -0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1wgo s VAL 33 Cb -0.03 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.36 1wgo s VAL 33 CO 0.04 -0.02 0.16 -0.44 -0.31 0.00 0.00 175.10 174.54 1wgo s SER 34 N -2.94 -0.15 -0.15 4.85 0.01 -0.99 -5.00 113.70 109.33 1wgo s SER 34 Ca 0.33 0.26 -0.27 0.00 1.31 0.00 0.00 55.95 57.59 1wgo s SER 34 Cb -0.11 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 1wgo s SER 34 CO 0.27 -0.10 0.88 -0.63 0.41 0.00 0.00 173.24 174.07 1wgo s ILE 35 N -0.12 4.85 -0.66 1.44 1.01 -1.26 0.42 121.20 126.87 1wgo s ILE 35 Ca -0.02 1.76 -0.35 0.00 0.00 0.00 0.00 60.65 62.04 1wgo s ILE 35 Cb -0.02 -4.19 -0.19 0.00 0.01 0.00 0.00 42.46 38.07 1wgo s ILE 35 CO 0.00 0.02 2.18 1.67 0.00 0.00 0.00 174.94 178.82 1wgo n GLN 36 N 5.14 0.00 -0.30 2.79 -0.06 0.34 -4.14 117.38 121.16 1wgo n GLN 36 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 1wgo n GLN 36 Cb 0.49 -1.36 0.00 0.00 -4.06 0.00 0.00 30.24 25.30 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 6.39 -3.54 3.55 1.69 0.00 -1.26 -4.78 105.19 107.25 1wgo n GLY 37 Ca 0.55 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.47 1.54 -4.04 1.61 4.07 -1.26 -4.95 120.64 117.15 1wgo n GLU 38 Ca 0.00 0.37 -0.23 0.00 -0.06 0.00 0.00 57.16 57.24 1wgo n GLU 38 Cb 0.00 -3.06 -0.06 0.00 -0.06 0.00 0.00 31.44 28.26 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wgo s ALA 39 N 8.86 3.57 0.04 4.31 0.00 -1.26 -5.08 121.76 132.19 1wgo s ALA 39 Ca 1.03 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1wgo s ALA 39 Cb -0.45 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1wgo s ALA 39 CO 0.37 0.05 -0.06 0.28 0.00 0.00 0.00 175.76 176.40 1wgo n VAL 40 N -1.19 1.15 -3.71 0.00 0.31 -1.26 -5.05 118.33 108.58 1wgo n VAL 40 Ca -0.03 0.33 -0.21 0.00 -0.01 0.00 0.00 64.34 64.41 1wgo n VAL 40 Cb 0.61 -1.68 -0.18 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.19 0.43 0.42 3.52 0.00 -1.26 -4.80 121.76 117.89 1wgo s ALA 41 Ca -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1wgo s ALA 41 Cb 0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1wgo s ALA 41 CO 0.08 -0.48 0.69 0.08 0.00 0.00 0.00 175.76 176.13 1wgo s VAL 42 N 2.08 4.97 0.20 0.00 1.01 -1.17 -4.82 120.40 122.68 1wgo s VAL 42 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1wgo s VAL 42 Cb -0.12 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1wgo s VAL 42 CO -0.04 -0.70 0.58 -0.13 0.00 0.00 0.00 175.10 174.81 1wgo s ARG 43 N -4.47 3.94 -0.38 2.72 0.52 -1.26 -2.02 118.95 118.00 1wgo s ARG 43 Ca 0.45 0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 55.84 1wgo s ARG 43 Cb -0.10 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1wgo s ARG 43 CO 0.40 0.38 1.72 -1.25 0.02 0.00 0.00 175.30 176.57 1wgo s PRO 44 N -2.37 3.32 0.00 3.54 0.04 -1.26 -2.59 135.00 135.67 1wgo s PRO 44 Ca 0.43 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1wgo s PRO 44 Cb -0.13 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1wgo s PRO 44 CO 0.20 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.77 1wgo n GLY 45 N 5.37 1.56 3.79 0.56 0.00 0.80 -4.95 105.19 112.32 1wgo n GLY 45 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 4.49 -0.01 1.61 0.41 -1.07 -4.57 118.70 119.56 1wgo s GLU 46 Ca 0.00 1.23 -0.26 0.00 -0.41 0.00 0.00 54.97 55.53 1wgo s GLU 46 Cb 0.00 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1wgo s GLU 46 CO 0.00 0.27 0.79 0.16 -0.49 0.00 0.00 175.26 175.99 1wgo s ASP 47 N -1.68 7.16 -0.10 -0.19 1.47 -1.26 -3.85 116.67 118.22 1wgo s ASP 47 Ca 0.50 1.40 -0.06 0.00 1.18 0.00 0.00 52.55 55.57 1wgo s ASP 47 Cb -0.17 -2.47 -0.04 0.00 -0.34 0.00 0.00 42.92 39.90 1wgo s ASP 47 CO 0.22 -0.11 0.15 0.54 0.68 0.00 0.00 175.17 176.65 1wgo s VAL 48 N 0.57 5.49 -0.22 2.11 0.11 0.55 -4.83 120.40 124.18 1wgo s VAL 48 Ca 0.42 0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 59.51 1wgo s VAL 48 Cb -0.19 -3.42 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1wgo s VAL 48 CO 0.22 0.56 0.12 -0.76 -3.33 0.00 0.00 175.10 171.92 1wgo s LEU 49 N -1.20 4.02 -0.25 2.54 2.01 -1.26 -2.77 118.68 121.77 1wgo s LEU 49 Ca 0.17 0.11 -0.02 0.00 0.01 0.00 0.00 54.13 54.41 1wgo s LEU 49 Cb -0.12 -2.05 0.02 0.00 0.01 0.00 0.00 46.19 44.05 1wgo s LEU 49 CO 0.07 0.12 -0.06 -0.36 1.01 0.00 0.00 176.35 177.13 1wgo s PHE 50 N 0.75 3.06 0.19 0.29 0.08 -1.03 -0.50 117.98 120.82 1wgo s PHE 50 Ca 0.06 -1.51 -0.17 0.00 0.12 0.00 0.00 56.93 55.43 1wgo s PHE 50 Cb -0.13 -2.07 -0.08 0.00 -0.57 0.00 0.00 43.02 40.18 1wgo s PHE 50 CO 0.02 -0.72 0.65 0.08 -0.10 0.00 0.00 175.22 175.15 1wgo s VAL 51 N 1.34 4.69 -0.10 -0.44 1.01 0.17 -2.28 120.40 124.79 1wgo s VAL 51 Ca 0.01 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1wgo s VAL 51 Cb -0.16 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1wgo s VAL 51 CO -0.04 0.22 -0.20 0.54 0.00 0.00 0.00 175.10 175.61 1wgo s VAL 52 N -1.51 2.42 -0.06 2.92 0.11 -1.26 -2.33 120.40 120.69 1wgo s VAL 52 Ca 0.41 -0.90 -0.27 0.00 -2.93 0.00 0.00 61.98 58.29 1wgo s VAL 52 Cb -0.16 -1.95 0.06 0.00 -1.53 0.00 0.00 36.38 32.80 1wgo s VAL 52 CO 0.20 0.55 0.60 -0.60 -3.33 0.00 0.00 175.10 172.53 1wgo s ARG 53 N 0.15 0.95 0.17 1.54 3.52 -1.26 -4.78 118.95 119.24 1wgo s ARG 53 Ca -0.11 0.23 0.07 0.00 -0.13 0.00 0.00 55.73 55.79 1wgo s ARG 53 Cb -0.16 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 1wgo s ARG 53 CO 0.06 -0.28 0.05 -1.14 -0.81 0.00 0.00 175.30 173.18 1wgo s GLN 54 N -1.06 2.57 0.07 5.12 2.00 -1.26 -4.05 119.66 123.05 1wgo s GLN 54 Ca -0.10 -1.03 -0.00 0.00 -2.00 0.00 0.00 55.36 52.22 1wgo s GLN 54 Cb -0.02 -2.45 -0.26 0.00 0.80 0.00 0.00 33.01 31.08 1wgo s GLN 54 CO 0.08 0.46 1.09 1.49 -0.50 0.00 0.00 175.29 177.91 1wgo h GLU 55 N 2.58 0.18 0.00 1.67 4.57 -1.59 -3.34 114.58 118.66 1wgo h GLU 55 Ca -0.47 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.39 1wgo h GLU 55 Cb 1.20 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1wgo h GLU 55 CO 0.60 1.10 -0.33 0.94 -1.18 0.00 0.00 179.01 180.15 1wgo n GLN 56 N -3.44 1.33 -3.74 1.92 7.27 -1.22 -5.02 117.38 114.48 1wgo n GLN 56 Ca -0.08 -2.87 -0.36 0.00 0.07 0.00 0.00 57.00 53.75 1wgo n GLN 56 Cb 1.01 -1.45 -0.10 0.00 2.41 0.00 0.00 30.24 32.11 1wgo n GLN 56 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1wgo s GLY 57 N -2.96 1.95 0.00 1.69 0.00 -1.26 -4.92 107.32 101.82 1wgo s GLY 57 Ca 0.34 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1wgo s GLY 57 CO -0.03 0.33 0.00 1.34 0.00 0.00 0.00 173.10 174.74 1wgo n ASP 58 N 4.17 1.89 0.07 1.64 2.03 -1.26 -4.79 116.55 120.31 1wgo n ASP 58 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1wgo n ASP 58 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wgo n VAL 59 N -2.50 0.28 -1.08 5.18 3.14 -1.26 -5.09 118.33 117.00 1wgo n VAL 59 Ca 0.00 0.09 -0.36 0.00 -2.96 0.00 0.00 64.34 61.11 1wgo n VAL 59 Cb 0.38 -0.87 -0.02 0.00 -1.06 0.00 0.00 33.84 32.28 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 -3.21 -1.50 -4.07 6.55 -0.00 -1.26 -4.97 117.00 108.54 1wgo n LEU 60 Ca 0.00 0.80 -0.20 0.00 -0.00 0.00 0.00 56.01 56.61 1wgo n LEU 60 Cb 0.06 -0.73 -0.15 0.00 -0.00 0.00 0.00 43.42 42.60 1wgo n LEU 60 CO 0.00 -2.76 -0.45 0.28 -0.00 0.00 0.00 177.39 174.46 1wgo s THR 61 N -1.01 0.89 0.08 1.47 -1.32 -1.26 -5.02 115.64 109.48 1wgo s THR 61 Ca 0.49 -0.55 0.04 0.00 -1.21 0.00 0.00 61.69 60.47 1wgo s THR 61 Cb -0.65 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 69.55 1wgo s THR 61 CO 0.47 0.20 -0.12 -0.89 -2.21 0.00 0.00 174.62 172.07 1wgo s THR 62 N -0.35 1.01 -0.06 5.08 2.01 -1.26 -5.01 115.64 117.05 1wgo s THR 62 Ca 0.04 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 1wgo s THR 62 Cb -0.05 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1wgo s THR 62 CO -0.00 -0.40 1.49 -0.75 -0.69 0.00 0.00 174.62 174.27 1wgo s LYS 63 N -2.25 4.22 -0.03 4.92 2.47 -1.26 -3.69 119.74 124.12 1wgo s LYS 63 Ca 0.01 2.02 0.01 0.00 -1.56 0.00 0.00 55.97 56.45 1wgo s LYS 63 Cb -0.07 -3.79 -0.03 0.00 -1.46 0.00 0.00 37.83 32.48 1wgo s LYS 63 CO 0.01 -0.73 -0.03 0.71 0.16 0.00 0.00 175.35 175.47 1wgo s TYR 64 N 3.36 3.00 -0.02 4.03 2.02 -1.21 -3.71 117.35 124.82 1wgo s TYR 64 Ca 0.67 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 1wgo s TYR 64 Cb -0.31 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1wgo s TYR 64 CO 0.26 0.41 -0.08 -1.14 -1.57 0.00 0.00 175.55 173.43 1wgo s GLN 65 N -1.24 2.57 -0.26 -0.62 0.74 0.51 -3.08 119.66 118.29 1wgo s GLN 65 Ca 0.16 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 1wgo s GLN 65 Cb -0.11 -2.50 0.04 0.00 1.10 0.00 0.00 33.01 31.53 1wgo s GLN 65 CO 0.06 0.62 -0.06 0.08 -0.55 0.00 0.00 175.29 175.43 1wgo s VAL 66 N -0.93 2.74 -0.28 1.34 1.01 -1.06 -3.17 120.40 120.05 1wgo s VAL 66 Ca 0.15 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1wgo s VAL 66 Cb -0.11 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1wgo s VAL 66 CO 0.06 0.13 -0.06 -0.62 0.00 0.00 0.00 175.10 174.60 1wgo s ASP 67 N 1.28 4.60 0.07 3.32 2.15 -1.20 -3.21 116.67 123.68 1wgo s ASP 67 Ca -0.02 -1.44 -0.14 0.00 0.43 0.00 0.00 52.55 51.38 1wgo s ASP 67 Cb -0.18 -1.60 -0.25 0.00 -0.30 0.00 0.00 42.92 40.59 1wgo s ASP 67 CO -0.04 -0.23 1.17 -0.07 -0.17 0.00 0.00 175.17 175.82 1wgo h LEU 68 N 7.82 0.91 0.00 -1.34 -0.00 -1.83 -3.02 115.31 117.85 1wgo h LEU 68 Ca -0.18 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 56.94 1wgo h LEU 68 Cb 1.04 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1wgo h LEU 68 CO 0.49 1.56 0.00 0.61 -0.00 0.00 0.00 178.44 181.09 1wgo n GLY 69 N 1.16 3.10 0.21 0.83 0.00 -1.26 -4.21 105.19 105.02 1wgo n GLY 69 Ca -0.12 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1wgo n GLY 69 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wgo h ASP 70 N 0.00 0.70 0.00 1.61 1.82 -1.93 -3.47 116.42 115.16 1wgo h ASP 70 Ca 0.00 -0.42 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1wgo h ASP 70 Cb 0.00 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.82 1wgo h ASP 70 CO 0.00 0.97 0.00 0.61 -1.61 0.00 0.00 179.24 179.21 1wgo n GLY 71 N -0.01 0.16 3.55 -0.78 0.00 -1.26 -5.09 105.19 101.76 1wgo n GLY 71 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 1.82 -0.16 1.61 5.36 -1.26 -4.97 117.98 120.39 1wgo s PHE 72 Ca 0.00 0.55 -0.07 0.00 -0.96 0.00 0.00 56.93 56.45 1wgo s PHE 72 Cb 0.00 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.44 1wgo s PHE 72 CO 0.00 -2.18 0.10 0.21 -1.46 0.00 0.00 175.22 171.89 1wgo s LYS 73 N 6.73 3.78 0.21 10.12 2.20 -1.26 -3.57 119.74 137.95 1wgo s LYS 73 Ca 0.61 -0.25 -0.18 0.00 -0.36 0.00 0.00 55.97 55.79 1wgo s LYS 73 Cb -0.10 -3.22 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1wgo s LYS 73 CO 0.15 0.47 0.54 0.00 -0.36 0.00 0.00 175.35 176.15 1wgo s ALA 74 N -0.17 -0.92 -0.06 3.13 0.00 -1.20 -5.09 121.76 117.46 1wgo s ALA 74 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1wgo s ALA 74 Cb -0.12 0.87 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1wgo s ALA 74 CO 0.01 -0.83 0.10 1.41 0.00 0.00 0.00 175.76 176.45 1wgo s MET 75 N -3.89 -0.04 -0.20 0.00 0.00 -1.26 -2.58 119.30 111.34 1wgo s MET 75 Ca 0.10 0.44 0.01 0.00 0.00 0.00 0.00 55.69 56.24 1wgo s MET 75 Cb -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 34.83 34.43 1wgo s MET 75 CO -0.01 -0.31 -0.16 0.71 0.00 0.00 0.00 175.02 175.25 1wgo s TYR 76 N 2.16 2.90 -0.04 4.11 2.02 -1.18 -5.00 117.35 122.33 1wgo s TYR 76 Ca 0.04 -1.67 -0.16 0.00 -0.37 0.00 0.00 57.07 54.91 1wgo s TYR 76 Cb -0.12 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.43 1wgo s TYR 76 CO -0.04 -0.79 0.44 0.54 -1.57 0.00 0.00 175.55 174.13 1wgo s VAL 77 N 1.29 5.06 -1.24 0.71 0.11 -1.26 -3.35 120.40 121.72 1wgo s VAL 77 Ca 0.02 0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 59.97 1wgo s VAL 77 Cb -0.15 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1wgo s VAL 77 CO -0.10 0.49 0.90 0.59 -3.33 0.00 0.00 175.10 173.65 1wgo n ASN 78 N 2.47 -1.79 0.00 3.54 3.02 -1.24 -4.84 115.26 116.42 1wgo n ASN 78 Ca -0.11 -0.69 0.06 0.00 -0.03 0.00 0.00 54.58 53.81 1wgo n ASN 78 Cb 0.52 -4.77 0.33 0.00 -0.61 0.00 0.00 39.78 35.25 1wgo n ASN 78 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wgo n LEU 79 N -4.19 0.00 -0.03 3.41 7.94 -1.26 -2.01 117.00 120.87 1wgo n LEU 79 Ca -0.29 0.18 -0.11 0.00 -1.11 0.00 0.00 56.01 54.67 1wgo n LEU 79 Cb 0.67 -0.18 -0.14 0.00 0.53 0.00 0.00 43.42 44.30 1wgo n LEU 79 CO 0.64 -0.11 -0.65 0.35 -1.11 0.00 0.00 177.39 176.51 1wgo n THR 80 N -1.18 1.62 0.12 1.96 -2.24 -1.26 -3.23 114.28 110.07 1wgo n THR 80 Ca 0.07 -0.77 -0.06 0.00 -2.27 0.00 0.00 64.05 61.03 1wgo n THR 80 Cb 0.08 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 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 0.01 -0.31 -2.09 3.22 3.38 -1.77 -3.29 115.31 114.46 1wgo h LEU 81 Ca -0.34 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1wgo h LEU 81 Cb 2.04 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.87 1wgo h LEU 81 CO 0.07 0.04 -0.00 0.00 0.09 0.00 0.00 178.44 178.64 1wgo h THR 82 N -0.90 0.91 0.00 0.22 1.03 -1.77 -3.45 112.91 108.95 1wgo h THR 82 Ca -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1wgo h THR 82 Cb 0.28 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 1wgo h THR 82 CO 0.06 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.18 1wgo n GLY 83 N -1.49 1.28 2.72 2.99 0.00 -1.20 -4.94 105.19 104.55 1wgo n GLY 83 Ca -0.03 -0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.48 1wgo n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgo n GLU 84 N 0.00 0.00 -0.32 1.61 1.02 -1.26 -4.88 120.64 116.81 1wgo n GLU 84 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1wgo n GLU 84 Cb 0.00 -1.12 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 1wgo n GLU 84 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wgo n PRO 85 N 3.54 -1.68 -3.71 3.49 -0.04 -1.26 -4.96 135.00 130.38 1wgo n PRO 85 Ca 0.27 -0.54 -0.38 0.00 -0.04 0.00 0.00 63.50 62.81 1wgo n PRO 85 Cb -0.04 -0.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 1wgo n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wgo s ILE 86 N -1.61 3.69 -0.09 0.52 1.01 -0.96 -4.93 121.20 118.82 1wgo s ILE 86 Ca 0.22 -1.68 -0.20 0.00 0.00 0.00 0.00 60.65 58.99 1wgo s ILE 86 Cb -0.02 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1wgo s ILE 86 CO 0.17 -0.54 0.56 -0.60 0.00 0.00 0.00 174.94 174.53 1wgo s ARG 87 N 1.29 4.37 -0.29 2.79 3.52 -1.26 -2.46 118.95 126.91 1wgo s ARG 87 Ca 0.04 0.61 -0.16 0.00 -0.13 0.00 0.00 55.73 56.10 1wgo s ARG 87 Cb -0.23 -3.43 0.11 0.00 -1.56 0.00 0.00 34.95 29.84 1wgo s ARG 87 CO -0.01 0.14 0.82 -1.58 -0.81 0.00 0.00 175.30 173.86 1wgo s HIS 88 N 0.64 -0.85 0.04 5.12 2.46 -1.11 -4.97 115.29 116.62 1wgo s HIS 88 Ca 0.30 1.68 0.06 0.00 0.47 0.00 0.00 55.06 57.58 1wgo s HIS 88 Cb -0.16 0.51 -0.03 0.00 -0.13 0.00 0.00 32.58 32.77 1wgo s HIS 88 CO 0.13 -0.42 -0.15 -0.98 -2.47 0.00 0.00 174.74 170.85 1wgo s ARG 89 N 1.60 2.16 -0.08 2.88 1.04 -1.26 -0.33 118.95 124.96 1wgo s ARG 89 Ca -0.09 -0.94 -0.06 0.00 -1.04 0.00 0.00 55.73 53.61 1wgo s ARG 89 Cb -0.05 -2.26 -0.04 0.00 -2.04 0.00 0.00 34.95 30.57 1wgo s ARG 89 CO -0.18 0.55 0.16 0.71 -0.04 0.00 0.00 175.30 176.50 1wgo s TYR 90 N -0.96 3.58 -0.06 5.89 2.02 -1.25 -4.95 117.35 121.62 1wgo s TYR 90 Ca 0.16 0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 57.27 1wgo s TYR 90 Cb -0.11 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1wgo s TYR 90 CO 0.06 0.71 0.26 1.49 -1.57 0.00 0.00 175.55 176.50 1wgo h GLU 91 N 4.58 -0.20 -6.16 -0.62 4.57 -1.92 0.23 114.58 115.06 1wgo h GLU 91 Ca -0.53 0.01 -0.53 0.00 -1.18 0.00 0.00 59.36 57.13 1wgo h GLU 91 Cb 1.22 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.80 1wgo h GLU 91 CO 0.62 -0.13 -0.51 -1.12 -1.18 0.00 0.00 179.01 176.69 1wgo s SER 92 N -4.90 5.82 0.99 1.04 0.01 -1.26 -4.20 113.70 111.20 1wgo s SER 92 Ca -0.03 -0.07 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 1wgo s SER 92 Cb 0.00 -1.60 0.19 0.00 0.21 0.00 0.00 66.02 64.82 1wgo s SER 92 CO 0.09 0.02 1.09 -2.16 0.41 0.00 0.00 173.24 172.69 1wgo s PRO 93 N -3.46 0.47 0.00 12.44 0.04 -1.26 -4.92 135.00 138.31 1wgo s PRO 93 Ca 0.33 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1wgo s PRO 93 Cb -0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1wgo s PRO 93 CO 0.26 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1wgo n GLY 94 N -1.08 4.01 3.71 0.56 0.00 -1.14 -5.05 105.19 106.19 1wgo n GLY 94 Ca 0.05 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.39 1.15 -4.38 -0.61 -0.00 -1.26 -4.38 119.36 109.50 1wgo n ILE 95 Ca 0.00 -0.29 -0.24 0.00 -0.00 0.00 0.00 62.75 62.22 1wgo n ILE 95 Cb 0.00 -1.69 -0.09 0.00 -0.00 0.00 0.00 39.64 37.86 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 -0.21 2.48 -0.42 1.39 2.02 -0.22 -4.94 117.35 117.45 1wgo s TYR 96 Ca 0.64 -0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 57.02 1wgo s TYR 96 Cb -0.57 -1.12 0.11 0.00 -0.40 0.00 0.00 41.96 39.98 1wgo s TYR 96 CO 0.51 0.64 0.23 0.50 -1.57 0.00 0.00 175.55 175.87 1wgo s ARG 97 N -3.40 2.11 -0.25 -0.62 3.52 -1.26 -1.45 118.95 117.60 1wgo s ARG 97 Ca 0.29 -1.80 -0.11 0.00 -0.13 0.00 0.00 55.73 53.98 1wgo s ARG 97 Cb -0.06 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1wgo s ARG 97 CO 0.16 -1.10 0.18 0.08 -0.81 0.00 0.00 175.30 173.82 1wgo s VAL 98 N 1.19 5.33 0.43 7.11 1.01 0.83 -4.34 120.40 131.97 1wgo s VAL 98 Ca 0.08 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1wgo s VAL 98 Cb -0.24 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1wgo s VAL 98 CO -0.03 0.31 0.07 -0.55 0.00 0.00 0.00 175.10 174.89 1wgo s SER 99 N 1.32 3.23 -0.24 3.32 0.15 -1.14 0.88 113.70 121.23 1wgo s SER 99 Ca 0.08 -1.61 -0.06 0.00 0.70 0.00 0.00 55.95 55.05 1wgo s SER 99 Cb -0.14 0.38 0.12 0.00 -1.71 0.00 0.00 66.02 64.67 1wgo s SER 99 CO 0.07 -0.84 0.47 0.54 1.20 0.00 0.00 173.24 174.68 1wgo s VAL 100 N -3.08 -0.74 0.00 4.45 0.11 -1.01 -3.20 120.40 116.92 1wgo s VAL 100 Ca 0.20 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.24 1wgo s VAL 100 Cb 0.03 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1wgo s VAL 100 CO 0.11 0.01 0.29 -0.60 -3.33 0.00 0.00 175.10 171.59 1wgo s ARG 101 N 2.68 3.64 -0.16 1.54 3.52 -1.19 -2.21 118.95 126.77 1wgo s ARG 101 Ca 0.03 0.03 -0.08 0.00 -0.13 0.00 0.00 55.73 55.58 1wgo s ARG 101 Cb -0.13 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.22 1wgo s ARG 101 CO -0.15 0.66 0.39 0.00 -0.81 0.00 0.00 175.30 175.38 1wgo s ALA 102 N -1.25 -0.98 -0.24 6.12 0.00 -0.35 -0.36 121.76 124.70 1wgo s ALA 102 Ca 0.26 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 1wgo s ALA 102 Cb -0.14 -0.92 0.12 0.00 0.00 0.00 0.00 23.12 22.19 1wgo s ALA 102 CO 0.14 -0.29 0.46 -2.00 0.00 0.00 0.00 175.76 174.08 1wgo s GLU 103 N 1.47 0.40 0.44 0.00 2.12 -1.24 -0.14 118.70 121.75 1wgo s GLU 103 Ca -0.09 0.95 0.06 0.00 0.36 0.00 0.00 54.97 56.25 1wgo s GLU 103 Cb -0.09 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1wgo s GLU 103 CO -0.12 -0.41 0.18 0.54 -0.54 0.00 0.00 175.26 174.91 1wgo s ASN 104 N 2.67 4.38 0.07 -1.70 4.22 -0.22 -4.62 114.94 119.75 1wgo s ASN 104 Ca 0.05 -1.19 0.05 0.00 -2.14 0.00 0.00 52.86 49.63 1wgo s ASN 104 Cb -0.13 -0.23 0.25 0.00 1.28 0.00 0.00 41.25 42.42 1wgo s ASN 104 CO -0.16 -0.66 1.11 0.41 -2.04 0.00 0.00 177.10 175.76 1wgo n THR 105 N -1.30 1.64 -0.03 0.54 -1.04 -1.26 -2.86 114.28 109.97 1wgo n THR 105 Ca -0.04 0.56 -0.03 0.00 -2.04 0.00 0.00 64.05 62.50 1wgo n THR 105 Cb 0.65 -1.56 -0.01 0.00 -1.82 0.00 0.00 70.33 67.60 1wgo n THR 105 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wgo n ALA 106 N -1.53 0.26 -2.97 2.41 0.00 -1.26 -5.09 120.51 112.34 1wgo n ALA 106 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1wgo n ALA 106 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 1.62 5.12 3.54 0.00 0.00 -1.13 -4.76 105.19 109.59 1wgo n GLY 107 Ca -0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1wgo n GLY 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wgo s HIS 108 N 0.80 -0.07 -0.10 1.61 2.46 -1.26 -1.06 115.29 117.67 1wgo s HIS 108 Ca 0.00 -0.28 -0.31 0.00 0.47 0.00 0.00 55.06 54.94 1wgo s HIS 108 Cb 0.00 0.39 0.12 0.00 -0.13 0.00 0.00 32.58 32.96 1wgo s HIS 108 CO 0.00 -0.94 1.02 0.16 -2.47 0.00 0.00 174.74 172.51 1wgo s ASP 109 N -2.89 -0.29 -0.11 9.88 -4.77 0.80 -4.66 116.67 114.64 1wgo s ASP 109 Ca 0.11 0.08 -0.22 0.00 -3.30 0.00 0.00 52.55 49.22 1wgo s ASP 109 Cb -0.01 0.28 0.05 0.00 -1.09 0.00 0.00 42.92 42.15 1wgo s ASP 109 CO -0.01 -0.42 0.53 -0.70 0.70 0.00 0.00 175.17 175.26 1wgo s GLU 110 N -2.42 0.78 0.31 2.11 2.12 -1.26 -1.21 118.70 119.14 1wgo s GLU 110 Ca 0.05 0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1wgo s GLU 110 Cb -0.01 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.70 1wgo s GLU 110 CO -0.05 -0.19 0.10 0.00 -0.54 0.00 0.00 175.26 174.58 1wgo s ALA 111 N -0.61 2.19 -0.01 6.30 0.00 -0.94 -4.93 121.76 123.76 1wgo s ALA 111 Ca -0.07 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 1wgo s ALA 111 Cb -0.03 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1wgo s ALA 111 CO 0.05 -0.39 0.26 0.08 0.00 0.00 0.00 175.76 175.75 1wgo s VAL 112 N -3.48 0.07 -0.25 0.00 1.01 -1.26 -2.40 120.40 114.09 1wgo s VAL 112 Ca 0.35 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1wgo s VAL 112 Cb 0.07 -0.56 0.08 0.00 0.00 0.00 0.00 36.38 35.96 1wgo s VAL 112 CO 0.15 -0.30 0.59 -0.22 0.00 0.00 0.00 175.10 175.33 1wgo s LEU 113 N -1.36 -0.72 -0.23 3.92 0.20 0.26 -4.86 118.68 115.89 1wgo s LEU 113 Ca -0.14 1.32 -0.12 0.00 0.69 0.00 0.00 54.13 55.88 1wgo s LEU 113 Cb -0.06 2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 47.69 1wgo s LEU 113 CO 0.03 -0.22 0.25 -0.36 -0.29 0.00 0.00 176.35 175.76 1wgo s PHE 114 N 1.75 3.32 -0.34 5.38 0.40 -1.26 -0.12 117.98 127.11 1wgo s PHE 114 Ca -0.09 0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.42 1wgo s PHE 114 Cb -0.07 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 1wgo s PHE 114 CO -0.18 0.00 0.41 0.08 0.70 0.00 0.00 175.22 176.24 1wgo s VAL 115 N 1.26 5.12 -0.49 -0.44 1.01 -0.53 -4.91 120.40 121.43 1wgo s VAL 115 Ca 0.11 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1wgo s VAL 115 Cb -0.14 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1wgo s VAL 115 CO 0.06 -0.10 0.55 -1.58 0.00 0.00 0.00 175.10 174.03 1wgo s GLN 116 N 2.14 3.08 -0.39 2.72 0.74 -1.26 -1.05 119.66 125.64 1wgo s GLN 116 Ca 0.14 -1.02 -0.09 0.00 0.05 0.00 0.00 55.36 54.45 1wgo s GLN 116 Cb -0.16 -4.10 0.06 0.00 1.10 0.00 0.00 33.01 29.90 1wgo s GLN 116 CO 0.12 -1.15 0.21 0.54 -0.55 0.00 0.00 175.29 174.46 1wgo s VAL 117 N 2.32 4.20 0.82 1.34 0.11 -1.26 -3.05 120.40 124.88 1wgo s VAL 117 Ca 0.12 -1.20 -0.13 0.00 -2.93 0.00 0.00 61.98 57.85 1wgo s VAL 117 Cb -0.21 -3.47 0.20 0.00 -1.53 0.00 0.00 36.38 31.37 1wgo s VAL 117 CO 0.10 -0.36 0.45 -1.20 -3.33 0.00 0.00 175.10 170.77 1wgo n SER 118 N 4.91 -3.01 -4.90 3.54 7.64 -0.86 -2.89 113.62 118.05 1wgo n SER 118 Ca -0.11 -0.45 -0.23 0.00 1.01 0.00 0.00 58.87 59.09 1wgo n SER 118 Cb 0.44 -0.57 0.03 0.00 -1.01 0.00 0.00 64.21 63.11 1wgo n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgo n GLY 119 N -2.67 2.35 3.61 0.23 0.00 -1.26 -4.27 105.19 103.18 1wgo n GLY 119 Ca 0.07 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.45 -0.87 -0.08 1.61 0.04 -1.26 -4.84 135.00 125.15 1wgo s PRO 120 Ca 0.46 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.52 1wgo s PRO 120 Cb -0.04 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 1wgo s PRO 120 CO 0.29 -3.50 -0.10 0.45 0.04 0.00 0.00 177.00 174.18 1wgo n SER 121 N -4.64 0.98 -0.24 6.66 2.88 -1.26 -4.54 113.62 113.47 1wgo n SER 121 Ca 0.11 0.45 -0.06 0.00 -1.33 0.00 0.00 58.87 58.04 1wgo n SER 121 Cb 0.59 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 1wgo n SER 121 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgo n SER 122 N -3.54 -0.60 0.00 -3.46 2.88 -1.26 -5.34 113.62 102.30 1wgo n SER 122 Ca -0.04 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wgo n SER 122 Cb 0.15 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1wgo n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42