#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 -0.11 -0.01 1.61 1.04 -1.26 -5.19 113.70 109.78 1wgo s SER 2 Ca 0.00 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 1wgo s SER 2 Cb 0.00 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.81 1wgo s SER 2 CO 0.00 -1.12 1.07 -0.55 0.98 0.00 0.00 173.24 173.62 1wgo s SER 3 N -3.09 -0.19 0.00 7.02 0.15 -1.26 -5.19 113.70 111.14 1wgo s SER 3 Ca 0.15 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1wgo s SER 3 Cb -0.03 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wgo s SER 3 CO 0.05 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1wgo n GLY 4 N -0.32 5.31 3.60 9.45 0.00 -1.26 -5.18 105.19 116.79 1wgo n GLY 4 Ca -0.06 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 1wgo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgo s SER 5 N 1.00 -0.41 0.34 1.61 0.15 -1.26 -5.19 113.70 109.95 1wgo s SER 5 Ca 0.00 0.63 -0.06 0.00 0.70 0.00 0.00 55.95 57.22 1wgo s SER 5 Cb 0.00 1.22 0.01 0.00 -1.71 0.00 0.00 66.02 65.54 1wgo s SER 5 CO 0.00 -0.10 0.54 -0.94 1.20 0.00 0.00 173.24 173.94 1wgo s SER 6 N 1.44 0.62 0.30 5.45 1.04 -1.26 -5.19 113.70 116.11 1wgo s SER 6 Ca -0.08 -1.36 -0.20 0.00 0.48 0.00 0.00 55.95 54.80 1wgo s SER 6 Cb -0.04 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1wgo s SER 6 CO -0.14 -1.36 0.77 -0.83 0.98 0.00 0.00 173.24 172.66 1wgo s GLY 7 N -3.18 0.06 -0.30 7.32 0.00 -1.26 -5.16 107.32 104.80 1wgo s GLY 7 Ca 0.27 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.47 1wgo s GLY 7 CO 0.17 -0.08 0.83 0.00 0.00 0.00 0.00 173.10 174.02 1wgo s GLU 9 N 2.86 1.27 0.00 0.00 -1.05 -1.26 -5.14 118.70 115.39 1wgo s GLU 9 Ca 0.08 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1wgo s GLU 9 Cb -0.12 -1.14 0.00 0.00 -0.44 0.00 0.00 34.13 32.43 1wgo s GLU 9 CO -0.16 0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.58 1wgo n GLY 10 N 3.39 5.65 0.20 -3.83 0.00 -1.26 -5.12 105.19 104.21 1wgo n GLY 10 Ca -0.19 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1wgo n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgo n GLY 11 N 3.20 -1.58 0.01 -0.02 0.00 -1.26 -5.05 105.19 100.49 1wgo n GLY 11 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 1wgo n GLY 11 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wgo n VAL 12 N 1.07 0.07 -3.49 1.61 3.14 -1.26 -4.90 118.33 114.57 1wgo n VAL 12 Ca 0.00 -0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 60.94 1wgo n VAL 12 Cb 0.00 -0.56 -0.04 0.00 -1.06 0.00 0.00 33.84 32.18 1wgo n VAL 12 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1wgo s ASP 13 N -4.07 6.37 0.19 6.55 1.47 -1.26 -4.94 116.67 120.99 1wgo s ASP 13 Ca -0.02 -3.15 -0.21 0.00 1.18 0.00 0.00 52.55 50.35 1wgo s ASP 13 Cb 0.00 -2.06 0.13 0.00 -0.34 0.00 0.00 42.92 40.65 1wgo s ASP 13 CO 0.03 -0.38 1.57 0.24 0.68 0.00 0.00 175.17 177.31 1wgo h MET 14 N 6.98 -0.12 -1.88 2.11 2.86 -2.00 -3.43 114.93 119.45 1wgo h MET 14 Ca 0.11 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1wgo h MET 14 Cb 0.93 0.03 -0.22 0.00 0.06 0.00 0.00 31.60 32.40 1wgo h MET 14 CO 0.82 -0.08 0.24 1.14 1.06 0.00 0.00 176.91 180.09 1wgo s GLN 15 N -5.92 0.79 -0.03 1.72 -2.07 -1.26 -5.17 119.66 107.72 1wgo s GLN 15 Ca -0.14 0.72 0.02 0.00 -1.82 0.00 0.00 55.36 54.13 1wgo s GLN 15 Cb 0.16 0.38 0.01 0.00 -1.09 0.00 0.00 33.01 32.48 1wgo s GLN 15 CO 0.69 -0.14 -0.07 -0.65 -1.32 0.00 0.00 175.29 173.80 1wgo s GLN 16 N -0.04 0.89 -0.44 9.60 -0.21 -1.26 -5.10 119.66 123.10 1wgo s GLN 16 Ca -0.01 -0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.18 1wgo s GLN 16 Cb -0.04 -0.85 0.15 0.00 1.00 0.00 0.00 33.01 33.27 1wgo s GLN 16 CO 0.01 0.02 0.28 -1.12 -2.12 0.00 0.00 175.29 172.36 1wgo s SER 17 N 0.52 3.14 -0.48 5.90 0.01 -1.26 -4.96 113.70 116.58 1wgo s SER 17 Ca -0.08 -2.75 0.03 0.00 1.31 0.00 0.00 55.95 54.46 1wgo s SER 17 Cb -0.11 -0.82 0.54 0.00 0.21 0.00 0.00 66.02 65.83 1wgo s SER 17 CO 0.01 -0.24 1.80 0.00 0.41 0.00 0.00 173.24 175.21 1wgo n GLN 18 N 3.34 2.46 -3.91 12.44 10.64 -1.26 -4.93 117.38 136.15 1wgo n GLN 18 Ca 0.15 -3.27 -0.13 0.00 -1.83 0.00 0.00 57.00 51.92 1wgo n GLN 18 Cb 0.38 -2.16 -0.15 0.00 -0.86 0.00 0.00 30.24 27.46 1wgo n GLN 18 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1wgo s VAL 19 N -3.96 0.08 -0.36 -0.39 1.01 -1.26 -5.12 120.40 110.40 1wgo s VAL 19 Ca 0.57 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1wgo s VAL 19 Cb 0.47 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.77 1wgo s VAL 19 CO 0.04 0.04 1.09 -1.10 0.00 0.00 0.00 175.10 175.18 1wgo s GLN 20 N 0.20 3.98 -0.18 2.72 -1.52 -1.26 -5.00 119.66 118.60 1wgo s GLN 20 Ca -0.02 0.95 -0.27 0.00 -1.95 0.00 0.00 55.36 54.08 1wgo s GLN 20 Cb -0.03 -3.78 -0.01 0.00 -0.22 0.00 0.00 33.01 28.97 1wgo s GLN 20 CO -0.01 -1.02 0.91 -1.17 -0.25 0.00 0.00 175.29 173.76 1wgo s LEU 21 N 3.86 4.16 -0.14 2.90 2.96 -1.26 -5.04 118.68 126.12 1wgo s LEU 21 Ca 0.46 1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1wgo s LEU 21 Cb -0.11 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 1wgo s LEU 21 CO 0.19 -0.48 0.01 -1.58 -1.32 0.00 0.00 176.35 173.17 1wgo s GLN 22 N 2.44 3.50 0.36 1.98 0.74 -1.26 -5.10 119.66 122.32 1wgo s GLN 22 Ca 0.41 -0.41 -0.24 0.00 0.05 0.00 0.00 55.36 55.17 1wgo s GLN 22 Cb -0.16 -2.97 -0.10 0.00 1.10 0.00 0.00 33.01 30.88 1wgo s GLN 22 CO 0.11 0.45 0.93 0.00 -0.55 0.00 0.00 175.29 176.23 1wgo s PRO 24 N -2.51 0.70 0.95 0.00 0.04 -1.26 -5.03 135.00 127.90 1wgo s PRO 24 Ca 0.55 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 1wgo s PRO 24 Cb -0.15 -1.76 0.23 0.00 0.04 0.00 0.00 34.50 32.86 1wgo s PRO 24 CO 0.19 -2.58 0.52 1.47 0.04 0.00 0.00 177.00 176.64 1wgo n LEU 25 N -4.08 0.00 -4.79 -3.56 -0.00 -1.26 -4.95 117.00 98.36 1wgo n LEU 25 Ca 0.06 -0.52 -0.36 0.00 -0.00 0.00 0.00 56.01 55.18 1wgo n LEU 25 Cb 0.56 -0.66 -0.06 0.00 -0.00 0.00 0.00 43.42 43.26 1wgo n LEU 25 CO 0.57 -2.36 0.62 0.42 -0.00 0.00 0.00 177.39 176.64 1wgo s THR 26 N -1.74 4.27 0.63 1.47 -4.23 -1.26 -4.75 115.64 110.03 1wgo s THR 26 Ca 0.40 1.72 -0.16 0.00 -1.18 0.00 0.00 61.69 62.47 1wgo s THR 26 Cb -0.07 -3.95 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 1wgo s THR 26 CO 0.33 0.10 1.12 -2.16 -0.54 0.00 0.00 174.62 173.47 1wgo s PRO 27 N -2.16 2.96 -0.01 3.99 0.04 -1.26 -4.74 135.00 133.82 1wgo s PRO 27 Ca 0.50 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1wgo s PRO 27 Cb -0.17 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1wgo s PRO 27 CO 0.22 -1.13 1.45 -1.25 0.04 0.00 0.00 177.00 176.33 1wgo s PRO 28 N -3.86 4.26 0.39 0.56 0.04 -1.26 -4.97 135.00 130.15 1wgo s PRO 28 Ca 0.69 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.78 1wgo s PRO 28 Cb -0.21 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 1wgo s PRO 28 CO 0.37 -0.63 0.10 1.03 0.04 0.00 0.00 177.00 177.91 1wgo s ARG 29 N 2.65 1.87 -0.78 4.56 1.81 -1.26 -4.59 118.95 123.21 1wgo s ARG 29 Ca 0.66 -2.12 0.00 0.00 -1.72 0.00 0.00 55.73 52.55 1wgo s ARG 29 Cb -0.32 -0.76 0.00 0.00 -0.45 0.00 0.00 34.95 33.42 1wgo s ARG 29 CO 0.27 -0.39 0.00 0.41 -0.68 0.00 0.00 175.30 174.91 1wgo n GLY 30 N -0.88 0.70 3.64 -3.53 0.00 -1.26 -3.97 105.19 99.89 1wgo n GLY 30 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.48 4.01 -0.03 0.99 1.98 -1.26 -4.15 118.68 117.73 1wgo s LEU 31 Ca 0.00 2.05 -0.27 0.00 -2.89 0.00 0.00 54.13 53.02 1wgo s LEU 31 Cb 0.00 -3.53 0.06 0.00 0.66 0.00 0.00 46.19 43.38 1wgo s LEU 31 CO 0.00 -1.31 0.60 -1.58 -1.89 0.00 0.00 176.35 172.17 1wgo s GLN 32 N 4.88 0.99 0.29 1.98 0.74 -1.26 -4.52 119.66 122.77 1wgo s GLN 32 Ca 0.82 0.12 0.07 0.00 0.05 0.00 0.00 55.36 56.42 1wgo s GLN 32 Cb -0.33 0.46 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1wgo s GLN 32 CO 0.34 -0.31 0.32 0.14 -0.55 0.00 0.00 175.29 175.22 1wgo s VAL 33 N -1.38 4.25 0.12 1.34 -7.23 -1.26 -3.96 120.40 112.27 1wgo s VAL 33 Ca -0.11 -1.22 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1wgo s VAL 33 Cb -0.01 -3.43 0.01 0.00 0.56 0.00 0.00 36.38 33.51 1wgo s VAL 33 CO 0.07 -0.25 0.29 -0.94 -0.31 0.00 0.00 175.10 173.96 1wgo s SER 34 N -3.99 -0.01 -0.23 4.85 1.04 0.39 -4.99 113.70 110.75 1wgo s SER 34 Ca 0.38 -0.60 -0.07 0.00 0.48 0.00 0.00 55.95 56.15 1wgo s SER 34 Cb -0.08 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1wgo s SER 34 CO 0.28 -0.82 0.05 -0.63 0.98 0.00 0.00 173.24 173.10 1wgo s ILE 35 N -3.87 4.26 -0.72 -1.02 1.01 -1.26 0.18 121.20 119.78 1wgo s ILE 35 Ca 0.07 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 1wgo s ILE 35 Cb 0.03 -2.97 -0.21 0.00 0.01 0.00 0.00 42.46 39.32 1wgo s ILE 35 CO -0.09 0.37 1.71 1.67 0.00 0.00 0.00 174.94 178.60 1wgo n GLN 36 N 4.66 0.00 -0.22 2.79 -0.06 -0.94 -3.90 117.38 119.70 1wgo n GLN 36 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1wgo n GLN 36 Cb 0.52 -0.87 0.00 0.00 -4.06 0.00 0.00 30.24 25.83 1wgo n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wgo n GLY 37 N 4.25 -1.65 3.54 1.69 0.00 -1.26 -4.87 105.19 106.89 1wgo n GLY 37 Ca 0.48 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 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 1.06 1.47 -4.38 1.61 2.13 -1.25 -4.94 120.64 116.33 1wgo n GLU 38 Ca 0.00 0.36 -0.32 0.00 0.66 0.00 0.00 57.16 57.85 1wgo n GLU 38 Cb 0.00 -2.95 -0.10 0.00 0.27 0.00 0.00 31.44 28.66 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wgo s ALA 39 N 8.58 3.12 -0.22 4.31 0.00 -1.26 -5.04 121.76 131.25 1wgo s ALA 39 Ca 1.05 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 1wgo s ALA 39 Cb -0.52 -1.20 -0.16 0.00 0.00 0.00 0.00 23.12 21.24 1wgo s ALA 39 CO 0.39 0.63 0.06 0.28 0.00 0.00 0.00 175.76 177.11 1wgo n VAL 40 N 1.45 1.53 -3.94 0.00 0.31 -1.26 -4.94 118.33 111.48 1wgo n VAL 40 Ca -0.15 -0.08 -0.22 0.00 -0.01 0.00 0.00 64.34 63.88 1wgo n VAL 40 Cb 0.53 -2.04 -0.17 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.43 0.69 0.31 3.52 0.00 -1.26 -4.73 121.76 117.87 1wgo s ALA 41 Ca -0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 1wgo s ALA 41 Cb 0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 1wgo s ALA 41 CO 0.54 -0.26 0.64 0.08 0.00 0.00 0.00 175.76 176.77 1wgo s VAL 42 N 1.49 4.88 0.19 0.00 1.01 -0.39 -4.97 120.40 122.61 1wgo s VAL 42 Ca -0.02 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.17 1wgo s VAL 42 Cb -0.13 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1wgo s VAL 42 CO -0.03 -0.30 0.78 -0.13 0.00 0.00 0.00 175.10 175.41 1wgo s ARG 43 N -3.38 4.51 -1.01 2.72 3.00 -1.26 -3.25 118.95 120.28 1wgo s ARG 43 Ca 0.48 1.11 -0.24 0.00 0.00 0.00 0.00 55.73 57.09 1wgo s ARG 43 Cb -0.11 -3.15 -0.06 0.00 0.00 0.00 0.00 34.95 31.63 1wgo s ARG 43 CO 0.26 0.52 1.94 -1.25 0.00 0.00 0.00 175.30 176.77 1wgo s PRO 44 N -1.38 2.53 0.00 3.54 0.04 -1.26 -2.21 135.00 136.27 1wgo s PRO 44 Ca 0.38 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1wgo s PRO 44 Cb -0.22 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1wgo s PRO 44 CO 0.25 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 174.10 1wgo n GLY 45 N 6.47 1.85 3.29 0.56 0.00 -1.25 -4.83 105.19 111.27 1wgo n GLY 45 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 1wgo n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgo s GLU 46 N -0.00 2.78 -0.06 1.61 2.56 -0.94 -4.73 118.70 119.92 1wgo s GLU 46 Ca 0.00 -1.06 -0.37 0.00 0.00 0.00 0.00 54.97 53.54 1wgo s GLU 46 Cb 0.00 -3.38 -0.18 0.00 2.00 0.00 0.00 34.13 32.57 1wgo s GLU 46 CO 0.00 -0.57 1.02 -0.40 -0.56 0.00 0.00 175.26 174.75 1wgo n ASP 47 N 4.81 0.13 -4.40 -1.70 5.75 -1.26 -4.75 116.55 115.13 1wgo n ASP 47 Ca -0.13 1.04 -0.32 0.00 -0.01 0.00 0.00 54.79 55.37 1wgo n ASP 47 Cb 0.46 -0.82 -0.14 0.00 -1.03 0.00 0.00 41.12 39.58 1wgo n ASP 47 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wgo s VAL 48 N 0.33 2.61 -0.12 2.12 0.11 0.65 -4.91 120.40 121.19 1wgo s VAL 48 Ca 0.83 -0.90 -0.07 0.00 -2.93 0.00 0.00 61.98 58.92 1wgo s VAL 48 Cb -1.16 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1wgo s VAL 48 CO 0.54 0.59 0.13 -0.76 -3.33 0.00 0.00 175.10 172.27 1wgo s LEU 49 N -0.66 4.35 -0.27 2.54 2.01 -1.26 -1.90 118.68 123.49 1wgo s LEU 49 Ca 0.10 0.45 0.02 0.00 0.01 0.00 0.00 54.13 54.71 1wgo s LEU 49 Cb -0.10 -2.06 0.07 0.00 0.01 0.00 0.00 46.19 44.10 1wgo s LEU 49 CO -0.00 0.40 -0.05 -0.36 1.01 0.00 0.00 176.35 177.35 1wgo s PHE 50 N -0.97 3.00 0.15 0.29 0.08 -1.12 -2.22 117.98 117.19 1wgo s PHE 50 Ca 0.15 -2.24 -0.20 0.00 0.12 0.00 0.00 56.93 54.76 1wgo s PHE 50 Cb -0.12 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.27 1wgo s PHE 50 CO 0.04 -0.86 0.66 0.08 -0.10 0.00 0.00 175.22 175.03 1wgo s VAL 51 N 1.19 4.63 -0.02 -0.44 1.01 0.47 -2.36 120.40 124.87 1wgo s VAL 51 Ca -0.03 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.28 1wgo s VAL 51 Cb -0.19 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1wgo s VAL 51 CO -0.07 0.40 -0.18 0.54 0.00 0.00 0.00 175.10 175.79 1wgo s VAL 52 N -1.29 1.42 -0.12 2.92 0.11 -1.26 -0.46 120.40 121.72 1wgo s VAL 52 Ca 0.36 -0.75 -0.22 0.00 -2.93 0.00 0.00 61.98 58.44 1wgo s VAL 52 Cb -0.19 -1.19 0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1wgo s VAL 52 CO 0.21 0.40 0.53 -0.60 -3.33 0.00 0.00 175.10 172.32 1wgo s ARG 53 N -0.29 0.77 -0.09 1.54 3.52 -1.25 -4.78 118.95 118.37 1wgo s ARG 53 Ca 0.04 0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 56.02 1wgo s ARG 53 Cb -0.08 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1wgo s ARG 53 CO 0.00 -0.18 -0.03 -1.14 -0.81 0.00 0.00 175.30 173.15 1wgo s GLN 54 N -0.52 3.00 0.35 5.12 2.00 -1.26 -4.18 119.66 124.17 1wgo s GLN 54 Ca -0.06 -0.47 0.06 0.00 -2.00 0.00 0.00 55.36 52.89 1wgo s GLN 54 Cb -0.03 -2.75 0.65 0.00 0.80 0.00 0.00 33.01 31.68 1wgo s GLN 54 CO 0.04 0.63 1.88 1.05 -0.50 0.00 0.00 175.29 178.40 1wgo h GLU 55 N 5.40 0.45 -0.00 1.67 4.11 -1.72 -2.64 114.58 121.84 1wgo h GLU 55 Ca -0.48 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 58.86 1wgo h GLU 55 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wgo h GLU 55 CO 0.55 0.51 -0.78 0.94 0.07 0.00 0.00 179.01 180.30 1wgo n GLN 56 N -4.28 0.80 0.00 1.06 -0.06 -1.26 -5.02 117.38 108.62 1wgo n GLN 56 Ca 0.01 -0.28 0.00 0.00 -2.00 0.00 0.00 57.00 54.73 1wgo n GLN 56 Cb 0.25 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 1wgo n GLN 56 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wgo n GLY 57 N 1.43 2.28 2.75 1.69 0.00 -1.00 -4.80 105.19 107.55 1wgo n GLY 57 Ca 0.05 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 5.20 -3.56 -0.40 1.61 8.00 -1.26 -4.74 116.55 121.39 1wgo n ASP 58 Ca 0.00 -0.48 0.36 0.00 0.71 0.00 0.00 54.79 55.38 1wgo n ASP 58 Cb 0.00 -3.86 0.61 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.02 -0.28 -1.15 2.53 3.14 -1.26 -4.57 118.33 113.72 1wgo n VAL 59 Ca -0.14 1.75 -0.45 0.00 -2.96 0.00 0.00 64.34 62.54 1wgo n VAL 59 Cb 0.61 -2.86 -0.06 0.00 -1.06 0.00 0.00 33.84 30.46 1wgo n VAL 59 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1wgo n LEU 60 N -4.73 0.59 -4.30 6.55 0.00 -1.26 -4.52 117.00 109.32 1wgo n LEU 60 Ca 0.37 0.81 -0.57 0.00 0.00 0.00 0.00 56.01 56.62 1wgo n LEU 60 Cb 1.40 -0.61 -0.11 0.00 0.00 0.00 0.00 43.42 44.09 1wgo n LEU 60 CO 0.13 -0.79 1.76 0.35 0.00 0.00 0.00 177.39 178.84 1wgo n THR 61 N 2.24 0.03 -5.23 1.96 -2.24 -1.26 -4.91 114.28 104.88 1wgo n THR 61 Ca 0.19 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.60 1wgo n THR 61 Cb -0.01 -0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 67.33 1wgo n THR 61 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wgo s THR 62 N 6.39 2.22 -0.21 4.28 2.01 -1.26 -4.91 115.64 124.16 1wgo s THR 62 Ca 1.19 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 1wgo s THR 62 Cb -1.36 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1wgo s THR 62 CO 0.62 0.58 0.36 -0.54 -0.69 0.00 0.00 174.62 174.95 1wgo s LYS 63 N -0.53 4.15 0.14 4.92 1.02 -1.26 -0.96 119.74 127.23 1wgo s LYS 63 Ca 0.07 0.13 0.08 0.00 0.02 0.00 0.00 55.97 56.27 1wgo s LYS 63 Cb -0.11 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1wgo s LYS 63 CO 0.00 -0.03 -0.10 0.71 -0.92 0.00 0.00 175.35 175.01 1wgo s TYR 64 N 1.29 2.68 -0.29 3.18 1.51 -1.08 -3.39 117.35 121.24 1wgo s TYR 64 Ca 0.17 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1wgo s TYR 64 Cb -0.15 -1.37 0.08 0.00 -0.11 0.00 0.00 41.96 40.42 1wgo s TYR 64 CO 0.07 0.46 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.80 1wgo s GLN 65 N -2.47 1.79 -0.20 -0.62 -0.44 0.15 -2.53 119.66 115.34 1wgo s GLN 65 Ca 0.22 -1.53 -0.22 0.00 -2.50 0.00 0.00 55.36 51.34 1wgo s GLN 65 Cb -0.10 -2.96 -0.02 0.00 -1.64 0.00 0.00 33.01 28.29 1wgo s GLN 65 CO 0.14 -0.75 0.67 0.08 0.50 0.00 0.00 175.29 175.94 1wgo s VAL 66 N 1.07 4.98 -0.26 1.34 1.01 -1.02 -1.85 120.40 125.67 1wgo s VAL 66 Ca 0.01 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.29 1wgo s VAL 66 Cb -0.19 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1wgo s VAL 66 CO -0.07 0.08 -0.08 -0.62 0.00 0.00 0.00 175.10 174.40 1wgo s ASP 67 N 1.22 4.32 -0.01 3.32 -1.08 -0.12 -3.44 116.67 120.87 1wgo s ASP 67 Ca 0.30 -1.39 -0.23 0.00 -0.52 0.00 0.00 52.55 50.71 1wgo s ASP 67 Cb -0.16 -1.46 -0.19 0.00 -1.46 0.00 0.00 42.92 39.65 1wgo s ASP 67 CO 0.10 -0.21 1.19 -0.07 0.52 0.00 0.00 175.17 176.70 1wgo h LEU 68 N 7.81 0.25 0.00 -1.34 -0.00 -1.79 -1.88 115.31 118.36 1wgo h LEU 68 Ca -0.18 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.09 1wgo h LEU 68 Cb 1.05 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1wgo h LEU 68 CO 0.45 0.82 0.00 0.61 -0.00 0.00 0.00 178.44 180.32 1wgo n GLY 69 N 0.57 2.98 0.46 0.83 0.00 -1.25 -3.91 105.19 104.87 1wgo n GLY 69 Ca -0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1wgo n GLY 69 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgo h ASP 70 N 0.00 -1.83 0.00 1.61 2.03 -1.94 -3.43 116.42 112.87 1wgo h ASP 70 Ca 0.00 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1wgo h ASP 70 Cb 0.00 0.74 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 1wgo h ASP 70 CO 0.00 -0.43 0.00 0.61 -1.03 0.00 0.00 179.24 178.39 1wgo n GLY 71 N -1.39 0.00 3.22 7.15 0.00 -1.26 -5.14 105.19 107.76 1wgo n GLY 71 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 2.62 0.00 1.61 5.36 -1.26 -5.10 117.98 121.20 1wgo s PHE 72 Ca 0.00 -1.10 0.02 0.00 -0.96 0.00 0.00 56.93 54.89 1wgo s PHE 72 Cb 0.00 -1.75 -0.01 0.00 -0.34 0.00 0.00 43.02 40.92 1wgo s PHE 72 CO 0.00 -0.46 -0.05 0.15 -1.46 0.00 0.00 175.22 173.40 1wgo s LYS 73 N 0.48 0.42 -0.13 10.12 1.02 -1.26 -3.03 119.74 127.36 1wgo s LYS 73 Ca -0.15 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1wgo s LYS 73 Cb -0.17 -0.38 0.12 0.00 -0.52 0.00 0.00 37.83 36.88 1wgo s LYS 73 CO 0.06 0.10 0.99 0.00 -0.92 0.00 0.00 175.35 175.58 1wgo s ALA 74 N -0.23 -1.92 -0.20 5.17 0.00 -1.22 -5.10 121.76 118.26 1wgo s ALA 74 Ca 0.01 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1wgo s ALA 74 Cb -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1wgo s ALA 74 CO -0.00 -0.40 -0.16 1.41 0.00 0.00 0.00 175.76 176.61 1wgo s MET 75 N -1.56 2.92 -0.25 0.00 1.75 -1.26 -2.44 119.30 118.46 1wgo s MET 75 Ca 0.00 -0.89 -0.04 0.00 -1.25 0.00 0.00 55.69 53.51 1wgo s MET 75 Cb -0.01 -2.69 0.00 0.00 2.84 0.00 0.00 34.83 34.98 1wgo s MET 75 CO -0.01 -0.27 -0.02 0.71 -0.65 0.00 0.00 175.02 174.78 1wgo s TYR 76 N 1.29 3.03 0.55 4.11 2.02 -1.05 -4.98 117.35 122.33 1wgo s TYR 76 Ca 0.03 -1.11 -0.05 0.00 -0.37 0.00 0.00 57.07 55.57 1wgo s TYR 76 Cb -0.14 -2.13 -0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1wgo s TYR 76 CO -0.10 -0.60 0.85 0.54 -1.57 0.00 0.00 175.55 174.67 1wgo s VAL 77 N 1.44 3.92 -1.08 0.71 0.11 -1.26 -2.65 120.40 121.59 1wgo s VAL 77 Ca 0.04 -0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 1wgo s VAL 77 Cb -0.16 -3.53 0.14 0.00 -1.53 0.00 0.00 36.38 31.30 1wgo s VAL 77 CO -0.02 -0.52 0.34 -0.46 -3.33 0.00 0.00 175.10 171.11 1wgo n ASN 78 N -2.46 -1.27 -0.05 3.54 0.23 -0.13 -4.75 115.26 110.36 1wgo n ASN 78 Ca 0.03 -0.60 -0.08 0.00 -0.53 0.00 0.00 54.58 53.40 1wgo n ASN 78 Cb 0.57 -1.14 -0.02 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 -0.50 -0.35 -0.41 -4.53 5.85 -1.76 -0.52 115.31 113.09 1wgo h LEU 79 Ca -0.34 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1wgo h LEU 79 Cb 1.02 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1wgo h LEU 79 CO 0.52 -0.13 0.06 0.71 -0.34 0.00 0.00 178.44 179.25 1wgo h THR 80 N -0.07 0.77 0.11 1.05 1.35 -1.86 0.33 112.91 114.58 1wgo h THR 80 Ca 0.12 -0.06 0.01 0.00 -0.55 0.00 0.00 66.41 65.92 1wgo h THR 80 Cb 0.25 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1wgo h THR 80 CO -0.28 0.03 -0.12 0.25 -0.25 0.00 0.00 175.52 175.16 1wgo h LEU 81 N 0.19 -0.32 -1.96 3.87 6.46 -1.76 -1.83 115.31 119.95 1wgo h LEU 81 Ca 0.20 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1wgo h LEU 81 Cb 0.25 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1wgo h LEU 81 CO -0.27 -0.18 -0.10 0.71 -0.62 0.00 0.00 178.44 177.98 1wgo h THR 82 N -0.26 0.45 -6.52 1.05 1.35 -0.70 -3.46 112.91 104.82 1wgo h THR 82 Ca 0.01 -0.48 -0.52 0.00 -0.55 0.00 0.00 66.41 64.87 1wgo h THR 82 Cb 0.26 1.33 -0.16 0.00 -1.73 0.00 0.00 68.15 67.84 1wgo h THR 82 CO -0.04 0.09 -0.78 0.61 -0.25 0.00 0.00 175.52 175.15 1wgo n GLY 83 N -0.64 -0.46 3.70 5.82 0.00 0.11 -4.93 105.19 108.79 1wgo n GLY 83 Ca -0.02 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1wgo n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgo s GLU 84 N -6.77 4.13 0.52 1.61 2.02 -1.25 -5.05 118.70 113.91 1wgo s GLU 84 Ca 0.70 -0.25 -0.20 0.00 0.02 0.00 0.00 54.97 55.23 1wgo s GLU 84 Cb -0.38 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.42 1wgo s GLU 84 CO 0.86 0.28 1.14 -1.25 0.02 0.00 0.00 175.26 176.31 1wgo s PRO 85 N 0.39 3.48 -0.67 0.39 0.04 -1.26 -4.86 135.00 132.51 1wgo s PRO 85 Ca 0.07 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1wgo s PRO 85 Cb -0.11 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.44 1wgo s PRO 85 CO -0.01 -0.76 0.71 0.42 0.04 0.00 0.00 177.00 177.40 1wgo s ILE 86 N -1.70 5.08 0.14 0.56 1.01 -0.99 -4.84 121.20 120.45 1wgo s ILE 86 Ca 0.70 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1wgo s ILE 86 Cb -0.25 -4.48 -0.07 0.00 0.01 0.00 0.00 42.46 37.67 1wgo s ILE 86 CO 0.29 -1.08 1.10 -0.60 0.00 0.00 0.00 174.94 174.64 1wgo s ARG 87 N 1.86 4.58 -0.21 2.79 3.52 -1.26 -2.80 118.95 127.43 1wgo s ARG 87 Ca 0.13 1.69 -0.17 0.00 -0.13 0.00 0.00 55.73 57.25 1wgo s ARG 87 Cb -0.20 -3.31 0.06 0.00 -1.56 0.00 0.00 34.95 29.94 1wgo s ARG 87 CO 0.00 0.03 0.54 -1.58 -0.81 0.00 0.00 175.30 173.49 1wgo s HIS 88 N 0.04 -0.66 0.07 5.12 2.46 -0.80 -4.95 115.29 116.58 1wgo s HIS 88 Ca 0.51 1.52 0.08 0.00 0.47 0.00 0.00 55.06 57.64 1wgo s HIS 88 Cb -0.28 0.27 -0.03 0.00 -0.13 0.00 0.00 32.58 32.40 1wgo s HIS 88 CO 0.33 -0.33 -0.21 0.50 -2.47 0.00 0.00 174.74 172.57 1wgo s ARG 89 N 0.65 1.86 0.39 2.88 3.52 -1.26 -0.25 118.95 126.74 1wgo s ARG 89 Ca -0.03 -1.11 0.08 0.00 -0.13 0.00 0.00 55.73 54.54 1wgo s ARG 89 Cb -0.05 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.23 1wgo s ARG 89 CO -0.04 0.51 0.41 0.71 -0.81 0.00 0.00 175.30 176.07 1wgo s TYR 90 N -0.98 2.82 -0.13 5.12 2.02 -1.26 -5.01 117.35 119.92 1wgo s TYR 90 Ca 0.15 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1wgo s TYR 90 Cb -0.10 -2.10 -0.12 0.00 -0.40 0.00 0.00 41.96 39.24 1wgo s TYR 90 CO 0.06 -0.10 -0.05 0.39 -1.57 0.00 0.00 175.55 174.28 1wgo n GLU 91 N -1.58 1.20 -4.13 -0.62 1.02 -1.26 -3.81 120.64 111.46 1wgo n GLU 91 Ca 0.03 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1wgo n GLU 91 Cb 0.60 -1.29 -0.10 0.00 -0.02 0.00 0.00 31.44 30.63 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wgo s SER 92 N -4.93 0.95 1.05 1.62 0.01 -1.26 -4.78 113.70 106.36 1wgo s SER 92 Ca -0.13 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.10 1wgo s SER 92 Cb 0.04 0.10 0.21 0.00 0.21 0.00 0.00 66.02 66.59 1wgo s SER 92 CO 0.40 -0.43 1.10 -2.16 0.41 0.00 0.00 173.24 172.55 1wgo s PRO 93 N -3.32 0.02 0.00 12.44 0.04 -1.26 -4.86 135.00 138.06 1wgo s PRO 93 Ca 0.06 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1wgo s PRO 93 Cb 0.02 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1wgo s PRO 93 CO -0.04 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.43 1wgo n GLY 94 N -1.04 3.94 3.63 0.56 0.00 -0.37 -4.95 105.19 106.95 1wgo n GLY 94 Ca 0.06 -1.30 -0.47 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.02 0.59 -4.22 -0.61 5.41 -1.26 -4.45 119.36 114.79 1wgo n ILE 95 Ca 0.00 -0.15 -0.23 0.00 1.00 0.00 0.00 62.75 63.38 1wgo n ILE 95 Cb 0.00 -1.21 -0.06 0.00 -0.71 0.00 0.00 39.64 37.66 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 0.19 2.86 -0.34 1.39 2.02 -0.77 -4.97 117.35 117.73 1wgo s TYR 96 Ca 0.74 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 57.23 1wgo s TYR 96 Cb -0.76 -1.28 0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1wgo s TYR 96 CO 0.47 0.58 0.09 1.03 -1.57 0.00 0.00 175.55 176.16 1wgo s ARG 97 N -3.73 2.40 -0.11 -0.62 0.52 -1.26 -2.92 118.95 113.22 1wgo s ARG 97 Ca 0.32 -1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.12 1wgo s ARG 97 Cb -0.07 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1wgo s ARG 97 CO 0.22 -0.76 -0.00 0.08 0.02 0.00 0.00 175.30 174.86 1wgo s VAL 98 N 1.28 4.25 0.01 3.52 1.01 -0.56 -3.94 120.40 125.98 1wgo s VAL 98 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 1wgo s VAL 98 Cb -0.21 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1wgo s VAL 98 CO -0.00 0.57 0.15 -0.44 0.00 0.00 0.00 175.10 175.37 1wgo s SER 99 N -0.53 0.04 -0.00 3.32 0.01 -0.71 0.05 113.70 115.87 1wgo s SER 99 Ca 0.09 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1wgo s SER 99 Cb -0.12 0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 1wgo s SER 99 CO 0.02 -0.42 -0.08 0.54 0.41 0.00 0.00 173.24 173.72 1wgo s VAL 100 N -1.71 0.60 0.02 3.43 0.11 -0.19 -0.95 120.40 121.72 1wgo s VAL 100 Ca -0.12 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1wgo s VAL 100 Cb -0.06 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1wgo s VAL 100 CO 0.00 0.13 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.12 1wgo s ARG 101 N -0.30 1.30 -0.02 1.54 3.52 -0.77 -0.79 118.95 123.43 1wgo s ARG 101 Ca 0.02 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1wgo s ARG 101 Cb -0.03 -1.32 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 1wgo s ARG 101 CO -0.00 0.35 0.05 0.00 -0.81 0.00 0.00 175.30 174.89 1wgo s ALA 102 N -0.64 -0.12 -0.18 6.12 0.00 0.37 0.34 121.76 127.65 1wgo s ALA 102 Ca 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1wgo s ALA 102 Cb -0.08 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.02 1wgo s ALA 102 CO 0.01 -0.03 0.16 -2.00 0.00 0.00 0.00 175.76 173.89 1wgo s GLU 103 N 0.11 0.12 0.29 0.00 2.12 -1.22 0.06 118.70 120.18 1wgo s GLU 103 Ca -0.01 0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.52 1wgo s GLU 103 Cb -0.01 -1.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.95 1wgo s GLU 103 CO -0.00 -0.63 0.11 0.54 -0.54 0.00 0.00 175.26 174.74 1wgo s ASN 104 N 2.24 4.88 0.50 -1.70 4.22 0.18 -4.49 114.94 120.77 1wgo s ASN 104 Ca 0.04 -0.58 0.40 0.00 -2.14 0.00 0.00 52.86 50.59 1wgo s ASN 104 Cb -0.15 -0.95 1.60 0.00 1.28 0.00 0.00 41.25 43.03 1wgo s ASN 104 CO -0.10 -0.13 1.58 0.00 -2.04 0.00 0.00 177.10 176.41 1wgo h THR 105 N 1.63 0.02 0.00 0.54 1.03 -1.99 -2.07 112.91 112.08 1wgo h THR 105 Ca -0.45 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1wgo h THR 105 Cb 1.25 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 1wgo h THR 105 CO 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.12 1wgo n ALA 106 N -2.71 -0.08 -2.96 0.00 0.00 -1.26 -4.96 120.51 108.55 1wgo n ALA 106 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1wgo n ALA 106 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.21 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 1.43 5.33 3.42 0.00 0.00 -0.78 -4.90 105.19 109.69 1wgo n GLY 107 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 1.18 -0.49 0.23 1.61 -3.43 -1.26 0.49 115.29 113.62 1wgo s HIS 108 Ca 0.00 0.65 -0.06 0.00 -0.80 0.00 0.00 55.06 54.86 1wgo s HIS 108 Cb 0.00 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.48 1wgo s HIS 108 CO 0.00 -0.63 0.29 0.34 -2.00 0.00 0.00 174.74 172.74 1wgo s ASP 109 N -1.72 0.13 0.07 7.38 2.15 0.11 -4.78 116.67 120.00 1wgo s ASP 109 Ca -0.07 -1.22 -0.17 0.00 0.43 0.00 0.00 52.55 51.52 1wgo s ASP 109 Cb -0.01 0.48 0.03 0.00 -0.30 0.00 0.00 42.92 43.12 1wgo s ASP 109 CO 0.02 -0.99 0.39 -0.70 -0.17 0.00 0.00 175.17 173.72 1wgo s GLU 110 N -4.04 0.96 0.19 4.34 2.12 -1.26 -0.48 118.70 120.54 1wgo s GLU 110 Ca 0.32 -0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.06 1wgo s GLU 110 Cb 0.04 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 1wgo s GLU 110 CO 0.12 -0.35 0.28 0.00 -0.54 0.00 0.00 175.26 174.77 1wgo s ALA 111 N -3.00 0.31 0.04 6.30 0.00 0.03 -4.89 121.76 120.55 1wgo s ALA 111 Ca -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 1wgo s ALA 111 Cb 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.15 1wgo s ALA 111 CO -0.06 -0.67 0.06 0.08 0.00 0.00 0.00 175.76 175.17 1wgo s VAL 112 N -4.04 0.15 -0.18 0.00 1.01 -1.26 -1.02 120.40 115.06 1wgo s VAL 112 Ca 0.25 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1wgo s VAL 112 Cb 0.04 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.52 1wgo s VAL 112 CO 0.06 -0.67 0.43 -0.22 0.00 0.00 0.00 175.10 174.70 1wgo s LEU 113 N -2.22 -0.17 -0.27 3.92 0.20 0.11 -4.81 118.68 115.43 1wgo s LEU 113 Ca -0.04 0.94 -0.10 0.00 0.69 0.00 0.00 54.13 55.62 1wgo s LEU 113 Cb -0.00 1.42 -0.04 0.00 -0.43 0.00 0.00 46.19 47.13 1wgo s LEU 113 CO -0.05 -0.20 0.15 -0.36 -0.29 0.00 0.00 176.35 175.60 1wgo s PHE 114 N 1.46 3.18 -0.31 5.38 0.40 -1.26 -1.50 117.98 125.32 1wgo s PHE 114 Ca -0.09 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 1wgo s PHE 114 Cb -0.08 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1wgo s PHE 114 CO -0.13 -0.23 0.22 0.08 0.70 0.00 0.00 175.22 175.85 1wgo s VAL 115 N 1.71 5.30 -0.33 -0.44 1.01 -1.15 -4.97 120.40 121.53 1wgo s VAL 115 Ca 0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1wgo s VAL 115 Cb -0.16 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1wgo s VAL 115 CO 0.09 0.12 0.61 -1.58 0.00 0.00 0.00 175.10 174.34 1wgo s GLN 116 N 1.75 3.78 -0.13 2.72 0.74 -1.26 -1.84 119.66 125.41 1wgo s GLN 116 Ca 0.07 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1wgo s GLN 116 Cb -0.17 -3.77 0.02 0.00 1.10 0.00 0.00 33.01 30.20 1wgo s GLN 116 CO 0.11 -0.64 -0.13 0.54 -0.55 0.00 0.00 175.29 174.62 1wgo s VAL 117 N 2.61 1.46 -0.17 1.34 0.11 -1.26 -1.26 120.40 123.23 1wgo s VAL 117 Ca 0.24 -0.57 -0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1wgo s VAL 117 Cb -0.15 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1wgo s VAL 117 CO 0.13 0.44 0.10 -0.55 -3.33 0.00 0.00 175.10 171.89 1wgo s SER 118 N 1.42 6.00 1.07 3.54 0.15 -1.20 -1.23 113.70 123.44 1wgo s SER 118 Ca 0.02 0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.74 1wgo s SER 118 Cb -0.13 -2.00 0.13 0.00 -1.71 0.00 0.00 66.02 62.31 1wgo s SER 118 CO -0.08 0.25 0.09 0.61 1.20 0.00 0.00 173.24 175.31 1wgo n GLY 119 N 3.03 -2.57 0.00 9.45 0.00 -1.26 -4.13 105.19 109.71 1wgo n GLY 119 Ca -0.17 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.12 1wgo n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgo n PRO 120 N -1.77 0.49 -3.26 1.61 -0.04 -1.26 -4.86 135.00 125.91 1wgo n PRO 120 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1wgo n PRO 120 Cb 0.49 -1.42 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 1wgo n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgo n SER 121 N -0.92 -4.09 -4.38 3.54 7.64 -1.26 -5.03 113.62 109.12 1wgo n SER 121 Ca 0.10 -0.63 -0.26 0.00 1.01 0.00 0.00 58.87 59.09 1wgo n SER 121 Cb 0.05 -4.92 -0.12 0.00 -1.01 0.00 0.00 64.21 58.20 1wgo n SER 121 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgo s SER 122 N -3.86 3.12 0.00 6.43 1.04 -1.26 -5.32 113.70 113.85 1wgo s SER 122 Ca 0.20 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1wgo s SER 122 Cb -0.03 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1wgo s SER 122 CO 0.70 0.10 0.42 0.61 0.98 0.00 0.00 173.24 176.04