#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf8 s SER 2 N 0.00 5.63 -0.11 1.61 1.04 -1.26 -5.12 113.70 115.48 1wf8 s SER 2 Ca 0.00 -0.22 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 1wf8 s SER 2 Cb 0.00 -0.89 0.11 0.00 0.10 0.00 0.00 66.02 65.34 1wf8 s SER 2 CO 0.00 -0.80 0.90 -0.44 0.98 0.00 0.00 173.24 173.88 1wf8 s SER 3 N -4.33 -0.45 -0.46 7.02 0.01 -1.26 -5.13 113.70 109.11 1wf8 s SER 3 Ca 0.53 0.44 0.07 0.00 1.31 0.00 0.00 55.95 58.31 1wf8 s SER 3 Cb -0.10 0.38 0.18 0.00 0.21 0.00 0.00 66.02 66.69 1wf8 s SER 3 CO 0.34 -0.45 0.68 -0.83 0.41 0.00 0.00 173.24 173.40 1wf8 s GLY 4 N -1.28 -1.27 -0.29 3.44 0.00 -1.26 -5.13 107.32 101.52 1wf8 s GLY 4 Ca -0.04 -0.05 -0.19 0.00 0.00 0.00 0.00 44.72 44.45 1wf8 s GLY 4 CO 0.03 3.68 1.04 -0.45 0.00 0.00 0.00 173.10 177.39 1wf8 s SER 5 N 1.41 -0.44 -0.24 1.64 0.15 -1.26 -5.17 113.70 109.79 1wf8 s SER 5 Ca 0.22 0.73 -0.28 0.00 0.70 0.00 0.00 55.95 57.33 1wf8 s SER 5 Cb -0.02 1.06 0.15 0.00 -1.71 0.00 0.00 66.02 65.50 1wf8 s SER 5 CO -0.06 -0.12 1.16 -0.55 1.20 0.00 0.00 173.24 174.87 1wf8 s SER 6 N 1.00 -0.27 0.00 5.45 0.15 -1.26 -5.09 113.70 113.68 1wf8 s SER 6 Ca -0.05 0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1wf8 s SER 6 Cb -0.04 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wf8 s SER 6 CO -0.13 -0.17 0.85 0.61 1.20 0.00 0.00 173.24 175.60 1wf8 n GLY 7 N 1.22 -2.32 3.69 9.45 0.00 -1.26 -4.56 105.19 111.41 1wf8 n GLY 7 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1wf8 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf8 s LEU 8 N -3.60 3.20 -0.31 0.99 2.01 -1.26 -2.95 118.68 116.76 1wf8 s LEU 8 Ca 0.00 -0.75 -0.05 0.00 0.01 0.00 0.00 54.13 53.34 1wf8 s LEU 8 Cb 0.00 -1.68 0.03 0.00 0.01 0.00 0.00 46.19 44.55 1wf8 s LEU 8 CO 0.00 -0.17 0.05 -1.83 1.01 0.00 0.00 176.35 175.41 1wf8 s GLU 9 N -3.76 2.71 -0.42 1.70 -1.05 0.56 -4.83 118.70 113.62 1wf8 s GLU 9 Ca 0.35 -1.10 -0.17 0.00 -0.15 0.00 0.00 54.97 53.90 1wf8 s GLU 9 Cb -0.04 -3.31 0.02 0.00 -0.44 0.00 0.00 34.13 30.36 1wf8 s GLU 9 CO 0.21 -0.57 0.41 -0.51 0.95 0.00 0.00 175.26 175.75 1wf8 s LEU 10 N 1.38 4.89 -0.05 1.83 2.01 -1.26 -1.71 118.68 125.77 1wf8 s LEU 10 Ca -0.01 -0.69 0.05 0.00 0.01 0.00 0.00 54.13 53.48 1wf8 s LEU 10 Cb -0.19 -2.35 -0.00 0.00 0.01 0.00 0.00 46.19 43.66 1wf8 s LEU 10 CO 0.01 -0.55 -0.19 0.72 1.01 0.00 0.00 176.35 177.35 1wf8 s PHE 11 N 2.06 1.92 -0.12 0.29 -0.71 -0.69 -4.96 117.98 115.78 1wf8 s PHE 11 Ca 0.11 -0.59 -0.30 0.00 -1.04 0.00 0.00 56.93 55.11 1wf8 s PHE 11 Cb -0.17 -1.29 -0.02 0.00 -1.21 0.00 0.00 43.02 40.32 1wf8 s PHE 11 CO 0.13 -0.20 1.25 -1.25 -1.34 0.00 0.00 175.22 173.80 1wf8 s PRO 12 N 0.06 4.28 -0.19 1.99 0.04 -1.26 -1.91 135.00 138.00 1wf8 s PRO 12 Ca -0.06 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 1wf8 s PRO 12 Cb -0.13 -3.68 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 1wf8 s PRO 12 CO 0.03 -0.60 -0.05 0.08 0.04 0.00 0.00 177.00 176.50 1wf8 s VAL 13 N 2.96 3.45 0.05 -0.36 1.01 0.41 -4.89 120.40 123.04 1wf8 s VAL 13 Ca 0.56 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1wf8 s VAL 13 Cb -0.23 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1wf8 s VAL 13 CO 0.18 0.45 0.75 -1.61 0.00 0.00 0.00 175.10 174.86 1wf8 s GLU 14 N 1.09 4.48 0.02 2.72 2.02 -1.26 0.21 118.70 127.98 1wf8 s GLU 14 Ca 0.01 1.03 0.02 0.00 0.02 0.00 0.00 54.97 56.06 1wf8 s GLU 14 Cb -0.15 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.72 1wf8 s GLU 14 CO -0.00 0.32 -0.08 -0.51 0.02 0.00 0.00 175.26 175.01 1wf8 s LEU 15 N -0.19 2.13 -0.37 1.80 1.43 0.25 -4.94 118.68 118.80 1wf8 s LEU 15 Ca 0.37 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1wf8 s LEU 15 Cb -0.20 -0.30 0.08 0.00 0.03 0.00 0.00 46.19 45.79 1wf8 s LEU 15 CO 0.23 -0.04 0.14 -1.61 0.23 0.00 0.00 176.35 175.30 1wf8 s GLU 16 N -0.86 2.33 0.74 1.70 2.02 -1.26 0.75 118.70 124.13 1wf8 s GLU 16 Ca -0.03 -1.49 -0.16 0.00 0.02 0.00 0.00 54.97 53.31 1wf8 s GLU 16 Cb -0.06 -3.48 -0.14 0.00 0.10 0.00 0.00 34.13 30.55 1wf8 s GLU 16 CO 0.00 -0.85 -0.50 1.63 0.02 0.00 0.00 175.26 175.56 1wf8 n LYS 17 N 4.70 0.00 -4.67 1.61 5.02 0.64 -4.77 118.16 120.68 1wf8 n LYS 17 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 1wf8 n LYS 17 Cb 0.43 -0.92 -0.08 0.00 -0.02 0.00 0.00 35.03 34.43 1wf8 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wf8 s ASP 18 N -0.92 3.67 0.62 4.39 1.01 0.47 -4.85 116.67 121.06 1wf8 s ASP 18 Ca 0.43 -1.64 0.24 0.00 0.71 0.00 0.00 52.55 52.30 1wf8 s ASP 18 Cb -0.28 0.44 1.15 0.00 1.01 0.00 0.00 42.92 45.25 1wf8 s ASP 18 CO 0.70 -0.85 1.61 1.05 0.21 0.00 0.00 175.17 177.90 1wf8 h GLU 19 N 1.53 0.00 0.00 8.23 9.09 -2.00 1.63 114.58 133.06 1wf8 h GLU 19 Ca -0.41 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 58.84 1wf8 h GLU 19 Cb 1.30 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.37 1wf8 h GLU 19 CO 0.69 0.00 -2.08 -3.47 0.05 0.00 0.00 179.01 174.20 1wf8 n ASP 20 N -3.24 0.43 0.00 3.06 2.03 -1.26 -5.10 116.55 112.47 1wf8 n ASP 20 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1wf8 n ASP 20 Cb 0.89 1.46 0.00 0.00 -0.72 0.00 0.00 41.12 42.75 1wf8 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf8 n GLY 21 N 1.60 0.13 0.33 0.27 0.00 0.56 -4.76 105.19 103.30 1wf8 n GLY 21 Ca -0.16 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 1wf8 n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wf8 h LEU 22 N 0.00 -0.76 -1.90 0.99 3.38 -1.89 1.37 115.31 116.50 1wf8 h LEU 22 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wf8 h LEU 22 Cb 0.00 0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wf8 h LEU 22 CO 0.00 -0.44 0.00 0.61 0.09 0.00 0.00 178.44 178.70 1wf8 n GLY 23 N -1.42 0.48 3.31 0.83 0.00 -1.26 -3.26 105.19 103.88 1wf8 n GLY 23 Ca -0.10 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1wf8 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wf8 s ILE 24 N -2.83 0.06 -0.01 -0.61 -4.36 -1.26 -3.20 121.20 108.99 1wf8 s ILE 24 Ca 0.00 -0.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.88 1wf8 s ILE 24 Cb 0.00 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.63 1wf8 s ILE 24 CO 0.00 -0.29 -0.05 -0.44 0.24 0.00 0.00 174.94 174.40 1wf8 s SER 25 N -2.33 4.75 0.27 4.36 0.01 -0.23 -4.92 113.70 115.61 1wf8 s SER 25 Ca -0.02 -0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.26 1wf8 s SER 25 Cb 0.00 -1.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1wf8 s SER 25 CO -0.06 0.30 -0.17 0.27 0.41 0.00 0.00 173.24 173.98 1wf8 s ILE 26 N -0.98 2.26 0.00 1.44 -4.36 -1.26 -1.21 121.20 117.10 1wf8 s ILE 26 Ca 0.17 -2.34 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 1wf8 s ILE 26 Cb -0.11 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1wf8 s ILE 26 CO 0.07 -0.42 -0.02 -0.51 0.24 0.00 0.00 174.94 174.29 1wf8 s ILE 27 N -2.64 0.16 -0.35 8.37 2.07 0.27 -4.42 121.20 124.67 1wf8 s ILE 27 Ca 0.29 -0.23 -0.14 0.00 -1.41 0.00 0.00 60.65 59.15 1wf8 s ILE 27 Cb -0.03 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 1wf8 s ILE 27 CO 0.13 -0.05 0.31 -0.83 -1.91 0.00 0.00 174.94 172.59 1wf8 s GLY 28 N -0.30 1.94 0.09 1.50 0.00 -1.26 -1.66 107.32 107.63 1wf8 s GLY 28 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.39 1wf8 s GLY 28 CO -0.00 0.90 -0.10 1.06 0.00 0.00 0.00 173.10 174.96 1wf8 s MET 29 N 1.86 0.82 -0.51 2.90 -1.94 -0.79 -4.98 119.30 116.67 1wf8 s MET 29 Ca 0.09 -1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 52.76 1wf8 s MET 29 Cb -0.17 -0.51 0.07 0.00 2.01 0.00 0.00 34.83 36.22 1wf8 s MET 29 CO 0.11 0.08 0.59 0.20 -0.01 0.00 0.00 175.02 175.99 1wf8 s GLY 30 N -2.37 1.82 0.38 -0.03 0.00 -1.26 0.22 107.32 106.07 1wf8 s GLY 30 Ca 0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 42.90 1wf8 s GLY 30 CO -0.00 1.41 0.61 0.14 0.00 0.00 0.00 173.10 175.26 1wf8 s VAL 31 N 2.46 5.05 0.00 1.40 1.01 -0.64 -4.12 120.40 125.56 1wf8 s VAL 31 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wf8 s VAL 31 Cb -0.21 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1wf8 s VAL 31 CO 0.10 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1wf8 n GLY 32 N -1.83 -0.46 3.59 4.51 0.00 -1.26 -0.95 105.19 108.79 1wf8 n GLY 32 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1wf8 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 s ALA 33 N -1.89 2.81 -0.13 4.61 0.00 -1.26 -4.37 121.76 121.54 1wf8 s ALA 33 Ca 0.00 0.10 0.18 0.00 0.00 0.00 0.00 51.96 52.25 1wf8 s ALA 33 Cb 0.00 -4.04 -0.18 0.00 0.00 0.00 0.00 23.12 18.90 1wf8 s ALA 33 CO 0.00 -2.75 0.64 -0.25 0.00 0.00 0.00 175.76 173.40 1wf8 n ASP 34 N 10.39 0.54 0.00 0.00 9.92 -1.26 -4.94 116.55 131.20 1wf8 n ASP 34 Ca 0.22 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1wf8 n ASP 34 Cb 0.48 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.63 1wf8 n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wf8 n ALA 35 N -2.42 0.00 0.00 2.24 0.00 -1.26 -4.92 120.51 114.15 1wf8 n ALA 35 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wf8 n ALA 35 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1wf8 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wf8 n GLY 36 N 0.00 0.00 1.92 0.00 0.00 -1.26 -4.81 105.19 101.04 1wf8 n GLY 36 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1wf8 n GLY 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wf8 n LEU 37 N -1.00 6.43 -4.83 0.99 -0.00 -1.26 -4.93 117.00 112.39 1wf8 n LEU 37 Ca 0.00 -3.33 -0.33 0.00 -0.00 0.00 0.00 56.01 52.36 1wf8 n LEU 37 Cb 0.10 -1.08 -0.04 0.00 -0.00 0.00 0.00 43.42 42.40 1wf8 n LEU 37 CO 0.00 1.26 0.68 -1.83 -0.00 0.00 0.00 177.39 177.50 1wf8 s GLU 38 N -1.72 3.99 -0.37 1.47 -1.05 -1.26 -4.47 118.70 115.28 1wf8 s GLU 38 Ca 0.32 1.05 0.02 0.00 -0.15 0.00 0.00 54.97 56.21 1wf8 s GLU 38 Cb 0.25 -2.14 0.11 0.00 -0.44 0.00 0.00 34.13 31.90 1wf8 s GLU 38 CO -0.02 -0.24 0.12 0.15 0.95 0.00 0.00 175.26 176.22 1wf8 s LYS 39 N -3.74 1.30 0.15 -4.83 1.02 -0.13 -4.92 119.74 108.59 1wf8 s LYS 39 Ca 0.61 -1.76 -0.34 0.00 0.02 0.00 0.00 55.97 54.49 1wf8 s LYS 39 Cb -0.10 -2.75 -0.15 0.00 -0.52 0.00 0.00 37.83 34.31 1wf8 s LYS 39 CO 0.25 -1.01 1.38 -0.11 -0.92 0.00 0.00 175.35 174.94 1wf8 n LEU 40 N 4.17 2.24 -4.37 3.17 -0.00 -1.26 -1.62 117.00 119.33 1wf8 n LEU 40 Ca 0.03 1.12 -0.33 0.00 -0.00 0.00 0.00 56.01 56.83 1wf8 n LEU 40 Cb 0.40 -1.30 -0.14 0.00 -0.00 0.00 0.00 43.42 42.38 1wf8 n LEU 40 CO 0.21 -0.80 -0.45 -0.83 -0.00 0.00 0.00 177.39 175.51 1wf8 s GLY 41 N 0.48 1.53 -0.55 -3.96 0.00 0.58 -0.70 107.32 104.70 1wf8 s GLY 41 Ca 0.78 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 44.42 1wf8 s GLY 41 CO 0.46 -0.21 0.65 -0.42 0.00 0.00 0.00 173.10 173.58 1wf8 s ILE 42 N 0.33 4.87 0.32 0.90 -1.09 -1.26 -1.88 121.20 123.39 1wf8 s ILE 42 Ca -0.11 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 57.58 1wf8 s ILE 42 Cb -0.16 -4.39 -0.02 0.00 -1.58 0.00 0.00 42.46 36.31 1wf8 s ILE 42 CO 0.06 -0.96 0.37 -0.36 -1.23 0.00 0.00 174.94 172.82 1wf8 s PHE 43 N 2.60 3.08 -0.60 3.97 0.40 -0.66 -0.15 117.98 126.61 1wf8 s PHE 43 Ca 0.12 -0.22 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 1wf8 s PHE 43 Cb -0.22 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.54 1wf8 s PHE 43 CO 0.09 0.15 0.89 0.08 0.70 0.00 0.00 175.22 177.13 1wf8 s VAL 44 N -2.20 4.45 0.28 -0.44 1.01 0.44 0.97 120.40 124.92 1wf8 s VAL 44 Ca 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1wf8 s VAL 44 Cb -0.08 -4.57 0.27 0.00 0.00 0.00 0.00 36.38 32.01 1wf8 s VAL 44 CO 0.29 -1.23 1.90 0.50 0.00 0.00 0.00 175.10 176.55 1wf8 h LYS 45 N 9.38 1.09 -2.44 2.72 3.64 -1.37 0.65 116.57 130.25 1wf8 h LYS 45 Ca -0.28 -0.07 0.21 0.00 -1.27 0.00 0.00 60.65 59.25 1wf8 h LYS 45 Cb 1.08 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1wf8 h LYS 45 CO 1.11 0.72 0.68 -0.08 -2.27 0.00 0.00 179.45 179.62 1wf8 s THR 46 N -5.98 0.00 -0.08 1.00 -1.32 -1.23 -4.62 115.64 103.40 1wf8 s THR 46 Ca -0.12 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 59.90 1wf8 s THR 46 Cb 0.20 -2.95 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 1wf8 s THR 46 CO 0.81 0.00 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.44 1wf8 s VAL 47 N -2.09 0.95 0.26 5.08 1.01 -1.26 -1.06 120.40 123.29 1wf8 s VAL 47 Ca 0.24 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1wf8 s VAL 47 Cb -0.02 -0.93 -0.12 0.00 0.00 0.00 0.00 36.38 35.31 1wf8 s VAL 47 CO 0.04 0.33 1.66 0.41 0.00 0.00 0.00 175.10 177.54 1wf8 n THR 48 N 4.35 0.60 -2.12 3.92 -1.04 -1.20 -4.89 114.28 113.91 1wf8 n THR 48 Ca -0.18 -0.15 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 1wf8 n THR 48 Cb 0.51 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 1wf8 n THR 48 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1wf8 s GLU 49 N 0.18 3.70 0.00 -2.82 2.12 -1.26 -2.12 118.70 118.50 1wf8 s GLU 49 Ca 0.68 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1wf8 s GLU 49 Cb -0.50 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 29.84 1wf8 s GLU 49 CO 0.42 -1.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 1wf8 n GLY 50 N 4.81 1.02 0.00 -1.50 0.00 -1.26 -5.08 105.19 103.18 1wf8 n GLY 50 Ca 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wf8 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf8 n GLY 51 N -1.10 1.51 0.06 -0.02 0.00 -0.90 -4.89 105.19 99.84 1wf8 n GLY 51 Ca 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 1wf8 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 h ALA 52 N -0.58 -0.01 -0.48 4.61 0.00 -1.75 -1.99 119.26 119.06 1wf8 h ALA 52 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wf8 h ALA 52 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1wf8 h ALA 52 CO 0.00 -0.01 0.32 0.00 0.00 0.00 0.00 179.25 179.56 1wf8 h ALA 53 N -0.75 1.74 0.63 0.00 0.00 -1.77 -0.93 119.26 118.18 1wf8 h ALA 53 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wf8 h ALA 53 Cb 0.26 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wf8 h ALA 53 CO 0.00 0.22 -0.30 0.37 0.00 0.00 0.00 179.25 179.54 1wf8 h GLN 54 N 0.58 -0.81 -0.55 0.00 -0.00 -1.79 -0.83 115.11 111.71 1wf8 h GLN 54 Ca 0.19 0.06 0.11 0.00 -0.00 0.00 0.00 58.65 59.01 1wf8 h GLN 54 Cb 0.05 0.18 -0.10 0.00 0.00 0.00 0.00 27.48 27.61 1wf8 h GLN 54 CO -0.05 -0.50 -0.12 0.00 0.00 0.00 0.00 178.83 178.16 1wf8 h ARG 55 N -1.13 0.01 0.00 1.69 3.08 -1.03 -0.72 114.38 116.28 1wf8 h ARG 55 Ca -0.09 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1wf8 h ARG 55 Cb 0.68 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1wf8 h ARG 55 CO 0.14 0.01 -0.22 0.22 -1.07 0.00 0.00 179.97 179.05 1wf8 h ASP 56 N 0.01 -0.64 0.00 7.04 1.82 -1.18 -3.46 116.42 120.02 1wf8 h ASP 56 Ca 0.27 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1wf8 h ASP 56 Cb 0.41 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.68 1wf8 h ASP 56 CO -0.56 -0.29 0.00 0.61 -1.61 0.00 0.00 179.24 177.40 1wf8 n GLY 57 N -1.34 2.85 0.16 -0.78 0.00 -0.28 -4.90 105.19 100.90 1wf8 n GLY 57 Ca -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1wf8 n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wf8 h ARG 58 N 0.00 -0.14 -6.55 1.61 1.12 -1.86 -3.38 114.38 105.17 1wf8 h ARG 58 Ca 0.00 0.01 -0.53 0.00 -1.11 0.00 0.00 59.98 58.35 1wf8 h ARG 58 Cb 0.00 0.03 0.03 0.00 -0.01 0.00 0.00 29.97 30.02 1wf8 h ARG 58 CO 0.00 -0.09 0.77 0.42 -3.11 0.00 0.00 179.97 177.96 1wf8 s ILE 59 N -3.95 3.14 0.31 1.20 1.01 -1.26 -5.01 121.20 116.64 1wf8 s ILE 59 Ca -0.05 0.81 0.08 0.00 0.00 0.00 0.00 60.65 61.49 1wf8 s ILE 59 Cb 0.03 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1wf8 s ILE 59 CO 0.22 0.06 -0.09 -1.10 0.00 0.00 0.00 174.94 174.03 1wf8 s GLN 60 N 1.18 1.67 0.61 2.79 -0.21 -1.26 -4.73 119.66 119.71 1wf8 s GLN 60 Ca 0.66 -1.85 -0.18 0.00 0.02 0.00 0.00 55.36 54.02 1wf8 s GLN 60 Cb -0.38 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 1wf8 s GLN 60 CO 0.30 0.12 1.18 0.08 -2.12 0.00 0.00 175.29 174.85 1wf8 s VAL 61 N -2.78 2.76 0.00 1.09 1.01 -1.26 -2.24 120.40 118.98 1wf8 s VAL 61 Ca 0.31 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1wf8 s VAL 61 Cb 0.02 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1wf8 s VAL 61 CO 0.14 -0.13 0.00 0.59 0.00 0.00 0.00 175.10 175.70 1wf8 n ASN 62 N -1.81 0.00 -4.45 3.32 3.02 0.23 -4.94 115.26 110.63 1wf8 n ASN 62 Ca 0.13 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 1wf8 n ASN 62 Cb 0.50 -0.16 0.24 0.00 -0.61 0.00 0.00 39.78 39.74 1wf8 n ASN 62 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wf8 s ASP 63 N -3.07 1.23 -0.16 6.41 1.11 -0.95 -4.57 116.67 116.67 1wf8 s ASP 63 Ca 0.00 1.29 -0.00 0.00 0.18 0.00 0.00 52.55 54.02 1wf8 s ASP 63 Cb 0.00 -2.00 0.04 0.00 1.07 0.00 0.00 42.92 42.03 1wf8 s ASP 63 CO 0.00 -4.01 -0.06 -1.58 1.18 0.00 0.00 175.17 170.70 1wf8 s GLN 64 N -4.70 1.50 -0.92 8.23 0.74 -1.26 -0.42 119.66 122.83 1wf8 s GLN 64 Ca 0.68 -0.52 -0.22 0.00 0.05 0.00 0.00 55.36 55.35 1wf8 s GLN 64 Cb -0.22 -2.00 0.08 0.00 1.10 0.00 0.00 33.01 31.97 1wf8 s GLN 64 CO 0.62 -0.41 1.26 0.42 -0.55 0.00 0.00 175.29 176.63 1wf8 s ILE 65 N 1.62 4.25 0.15 -2.34 1.01 0.78 -1.77 121.20 124.91 1wf8 s ILE 65 Ca 0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 1wf8 s ILE 65 Cb -0.15 -4.90 -0.08 0.00 0.01 0.00 0.00 42.46 37.34 1wf8 s ILE 65 CO -0.08 -1.72 1.44 0.58 0.00 0.00 0.00 174.94 175.16 1wf8 h VAL 66 N 6.28 1.30 -3.94 2.92 2.07 -1.49 -3.38 116.25 120.00 1wf8 h VAL 66 Ca 0.09 -1.80 -0.10 0.00 0.82 0.00 0.00 66.70 65.71 1wf8 h VAL 66 Cb 1.03 1.74 -0.14 0.00 -1.52 0.00 0.00 31.29 32.39 1wf8 h VAL 66 CO 1.27 0.57 -0.46 -0.70 0.02 0.00 0.00 177.57 178.27 1wf8 s GLU 67 N -4.02 0.78 -0.13 1.57 2.12 -1.16 0.30 118.70 118.17 1wf8 s GLU 67 Ca -0.09 -1.04 -0.04 0.00 0.36 0.00 0.00 54.97 54.16 1wf8 s GLU 67 Cb 0.10 0.30 0.06 0.00 0.26 0.00 0.00 34.13 34.86 1wf8 s GLU 67 CO 0.87 -0.22 0.20 0.08 -0.54 0.00 0.00 175.26 175.65 1wf8 s VAL 68 N -3.88 -0.31 -1.56 3.70 1.01 0.56 -0.92 120.40 119.00 1wf8 s VAL 68 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1wf8 s VAL 68 Cb 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1wf8 s VAL 68 CO -0.10 0.04 0.00 0.47 0.00 0.00 0.00 175.10 175.50 1wf8 n ASP 69 N 5.33 -3.89 0.00 3.32 8.00 0.56 0.11 116.55 129.99 1wf8 n ASP 69 Ca -0.05 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1wf8 n ASP 69 Cb 0.50 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 1wf8 n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wf8 n GLY 70 N -0.28 1.97 3.75 0.44 0.00 -1.26 -4.91 105.19 104.90 1wf8 n GLY 70 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1wf8 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wf8 s ILE 71 N -2.13 2.71 -0.08 -0.61 1.01 0.31 -4.97 121.20 117.43 1wf8 s ILE 71 Ca 0.00 0.63 -0.23 0.00 0.00 0.00 0.00 60.65 61.05 1wf8 s ILE 71 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1wf8 s ILE 71 CO 0.00 0.11 0.69 -0.55 0.00 0.00 0.00 174.94 175.19 1wf8 s SER 72 N 0.14 6.94 -0.44 3.58 0.15 -1.26 0.21 113.70 123.02 1wf8 s SER 72 Ca 0.56 1.14 0.04 0.00 0.70 0.00 0.00 55.95 58.39 1wf8 s SER 72 Cb -0.41 -2.40 0.44 0.00 -1.71 0.00 0.00 66.02 61.95 1wf8 s SER 72 CO 0.46 -0.13 1.45 0.18 1.20 0.00 0.00 173.24 176.39 1wf8 n LEU 73 N 3.93 5.78 -4.57 3.45 4.77 0.15 -4.93 117.00 125.57 1wf8 n LEU 73 Ca -0.01 -4.70 -0.32 0.00 -0.03 0.00 0.00 56.01 50.94 1wf8 n LEU 73 Cb 0.51 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1wf8 n LEU 73 CO 0.47 1.94 -0.40 -0.69 -1.33 0.00 0.00 177.39 177.38 1wf8 s VAL 74 N -4.82 3.50 -1.57 4.08 1.01 -1.25 -4.00 120.40 117.35 1wf8 s VAL 74 Ca 0.54 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1wf8 s VAL 74 Cb 0.44 -2.51 0.08 0.00 0.00 0.00 0.00 36.38 34.39 1wf8 s VAL 74 CO -0.03 0.40 0.63 0.61 0.00 0.00 0.00 175.10 176.70 1wf8 n GLY 75 N 1.61 -0.35 3.06 4.51 0.00 0.12 -4.90 105.19 109.24 1wf8 n GLY 75 Ca -0.16 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1wf8 n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wf8 s VAL 76 N -3.60 0.76 0.33 1.61 -7.23 -1.22 -4.65 120.40 106.41 1wf8 s VAL 76 Ca 0.41 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.64 1wf8 s VAL 76 Cb -0.22 -0.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.93 1wf8 s VAL 76 CO 0.91 0.03 1.28 0.28 -0.31 0.00 0.00 175.10 177.29 1wf8 s THR 77 N -0.59 2.81 0.26 5.32 -1.32 -1.26 -4.63 115.64 116.24 1wf8 s THR 77 Ca 0.00 0.81 -0.00 0.00 -1.21 0.00 0.00 61.69 61.29 1wf8 s THR 77 Cb -0.06 -3.51 0.38 0.00 -1.51 0.00 0.00 72.50 67.80 1wf8 s THR 77 CO 0.00 0.19 1.37 1.67 -2.21 0.00 0.00 174.62 175.63 1wf8 n GLN 78 N 0.78 -0.07 -0.29 7.08 7.27 -1.26 0.14 117.38 131.03 1wf8 n GLN 78 Ca 0.00 1.32 -0.01 0.00 0.07 0.00 0.00 57.00 58.38 1wf8 n GLN 78 Cb 0.42 -2.07 0.05 0.00 2.41 0.00 0.00 30.24 31.05 1wf8 n GLN 78 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1wf8 h ASN 79 N 0.00 -1.16 0.23 1.69 4.21 -1.98 0.77 115.58 119.35 1wf8 h ASN 79 Ca 0.50 0.27 0.00 0.00 1.21 0.00 0.00 56.30 58.28 1wf8 h ASN 79 Cb 0.99 0.63 -0.04 0.00 -1.12 0.00 0.00 38.32 38.77 1wf8 h ASN 79 CO -0.84 -0.29 -0.52 0.15 -1.29 0.00 0.00 177.43 174.63 1wf8 h PHE 80 N -0.06 -1.50 -0.52 1.19 3.04 0.91 0.16 116.94 120.15 1wf8 h PHE 80 Ca 0.32 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.40 1wf8 h PHE 80 Cb 0.59 0.62 -0.08 0.00 2.56 0.00 0.00 35.95 39.64 1wf8 h PHE 80 CO -0.73 -0.62 0.03 0.00 -2.02 0.00 0.00 178.31 174.97 1wf8 h ALA 81 N -0.65 0.52 -0.76 2.41 0.00 -0.88 0.17 119.26 120.08 1wf8 h ALA 81 Ca -0.02 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1wf8 h ALA 81 Cb 0.79 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1wf8 h ALA 81 CO -0.22 -0.37 0.30 0.00 0.00 0.00 0.00 179.25 178.96 1wf8 h ALA 82 N 1.45 1.06 -0.30 0.00 0.00 0.12 0.36 119.26 121.95 1wf8 h ALA 82 Ca 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1wf8 h ALA 82 Cb 0.39 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wf8 h ALA 82 CO -0.41 -0.21 0.15 1.15 0.00 0.00 0.00 179.25 179.92 1wf8 h THR 83 N 0.44 1.15 0.41 0.00 2.02 0.20 -1.27 112.91 115.86 1wf8 h THR 83 Ca 0.42 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1wf8 h THR 83 Cb 0.64 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1wf8 h THR 83 CO -0.41 0.15 -0.30 0.58 0.37 0.00 0.00 175.52 175.91 1wf8 h VAL 84 N 0.35 0.38 -0.19 3.16 2.07 0.10 0.48 116.25 122.59 1wf8 h VAL 84 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1wf8 h VAL 84 Cb 0.10 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1wf8 h VAL 84 CO -0.01 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.87 1wf8 h LEU 85 N -0.70 0.00 0.00 2.57 3.38 -0.27 1.15 115.31 121.44 1wf8 h LEU 85 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1wf8 h LEU 85 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1wf8 h LEU 85 CO 0.01 0.00 -1.18 0.03 0.09 0.00 0.00 178.44 177.39 1wf8 h ARG 86 N 0.00 0.00 0.20 1.13 3.08 0.29 -3.33 114.38 115.75 1wf8 h ARG 86 Ca 0.09 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.83 1wf8 h ARG 86 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.89 1wf8 h ARG 86 CO -0.00 0.32 -1.40 -0.91 -1.07 0.00 0.00 179.97 176.91 1wf8 h ASN 87 N 0.00 0.67 -1.81 7.04 2.35 0.58 -3.47 115.58 120.94 1wf8 h ASN 87 Ca -0.12 -0.73 -0.51 0.00 -0.55 0.00 0.00 56.30 54.39 1wf8 h ASN 87 Cb 1.50 -0.22 0.20 0.00 0.05 0.00 0.00 38.32 39.86 1wf8 h ASN 87 CO 0.05 1.57 -1.54 0.35 -1.65 0.00 0.00 177.43 176.21 1wf8 n THR 88 N -3.64 0.00 -3.70 2.81 -2.24 0.11 -5.00 114.28 102.63 1wf8 n THR 88 Ca -0.14 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1wf8 n THR 88 Cb 1.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1wf8 n THR 88 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wf8 n LYS 89 N 2.05 1.67 0.00 -0.78 4.01 -1.26 -5.04 118.16 118.81 1wf8 n LYS 89 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1wf8 n LYS 89 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1wf8 n LYS 89 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wf8 n GLY 90 N 3.19 -1.36 3.78 0.72 0.00 -1.26 -4.12 105.19 106.14 1wf8 n GLY 90 Ca 0.00 0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 1wf8 n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wf8 s ASN 91 N -1.14 7.38 -0.04 1.61 3.84 -1.26 0.23 114.94 125.57 1wf8 s ASN 91 Ca 0.00 1.67 -0.01 0.00 0.21 0.00 0.00 52.86 54.72 1wf8 s ASN 91 Cb 0.00 -2.51 0.03 0.00 -0.55 0.00 0.00 41.25 38.23 1wf8 s ASN 91 CO 0.00 0.18 0.08 -0.69 -2.79 0.00 0.00 177.10 173.88 1wf8 s VAL 92 N -1.21 -0.07 -0.48 -5.21 1.01 0.23 -4.92 120.40 109.75 1wf8 s VAL 92 Ca 0.38 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1wf8 s VAL 92 Cb -0.23 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.08 1wf8 s VAL 92 CO 0.26 0.09 0.42 -0.60 0.00 0.00 0.00 175.10 175.27 1wf8 s ARG 93 N 1.25 2.98 -0.31 2.72 6.06 -1.26 0.86 118.95 131.26 1wf8 s ARG 93 Ca -0.08 -1.41 -0.14 0.00 -2.50 0.00 0.00 55.73 51.61 1wf8 s ARG 93 Cb -0.12 -4.16 -0.03 0.00 0.06 0.00 0.00 34.95 30.70 1wf8 s ARG 93 CO -0.04 -1.08 0.31 -0.06 -2.50 0.00 0.00 175.30 171.93 1wf8 s PHE 94 N 1.65 3.22 -0.78 5.12 0.08 0.55 0.21 117.98 128.03 1wf8 s PHE 94 Ca 0.04 0.11 -0.18 0.00 0.12 0.00 0.00 56.93 57.02 1wf8 s PHE 94 Cb -0.25 -2.56 0.14 0.00 -0.57 0.00 0.00 43.02 39.78 1wf8 s PHE 94 CO 0.06 -0.31 0.89 0.08 -0.10 0.00 0.00 175.22 175.84 1wf8 s VAL 95 N 1.94 4.97 0.54 -0.44 1.01 -0.10 0.16 120.40 128.48 1wf8 s VAL 95 Ca 0.11 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.38 1wf8 s VAL 95 Cb -0.16 -4.60 -0.07 0.00 0.00 0.00 0.00 36.38 31.55 1wf8 s VAL 95 CO 0.11 -1.26 0.99 -0.63 0.00 0.00 0.00 175.10 174.31 1wf8 s ILE 96 N 2.11 4.58 -0.22 2.22 -1.09 -0.80 -1.35 121.20 126.65 1wf8 s ILE 96 Ca 0.21 1.12 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 1wf8 s ILE 96 Cb -0.13 -3.76 0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1wf8 s ILE 96 CO -0.03 -0.80 -0.06 -0.83 -1.23 0.00 0.00 174.94 171.98 1wf8 s GLY 97 N -3.36 1.23 0.15 6.18 0.00 -0.73 -1.70 107.32 109.09 1wf8 s GLY 97 Ca 0.58 -1.24 0.10 0.00 0.00 0.00 0.00 44.72 44.17 1wf8 s GLY 97 CO 0.37 0.89 -0.24 0.50 0.00 0.00 0.00 173.10 174.62 1wf8 s ARG 98 N 1.44 1.38 0.40 2.90 3.00 -0.69 -4.37 118.95 123.00 1wf8 s ARG 98 Ca -0.04 -1.39 -0.27 0.00 0.00 0.00 0.00 55.73 54.03 1wf8 s ARG 98 Cb -0.18 -1.73 -0.09 0.00 0.00 0.00 0.00 34.95 32.95 1wf8 s ARG 98 CO -0.07 0.39 1.39 -1.21 0.00 0.00 0.00 175.30 175.80 1wf8 s GLU 99 N -2.35 4.00 0.46 3.54 2.02 -1.26 0.21 118.70 125.32 1wf8 s GLU 99 Ca 0.15 2.35 -0.10 0.00 0.02 0.00 0.00 54.97 57.40 1wf8 s GLU 99 Cb -0.09 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1wf8 s GLU 99 CO 0.07 -0.54 0.82 0.15 0.02 0.00 0.00 175.26 175.78 1wf8 s LYS 100 N -2.18 3.70 0.48 1.61 1.02 -1.15 -4.75 119.74 118.47 1wf8 s LYS 100 Ca 0.55 0.46 -0.20 0.00 0.02 0.00 0.00 55.97 56.80 1wf8 s LYS 100 Cb -0.42 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 1wf8 s LYS 100 CO 0.55 -0.17 1.04 -1.25 -0.92 0.00 0.00 175.35 174.61 1wf8 s PRO 101 N -4.28 3.82 -0.35 -1.68 0.04 -1.26 -5.01 135.00 126.28 1wf8 s PRO 101 Ca 0.51 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 1wf8 s PRO 101 Cb -0.10 -2.11 0.22 0.00 0.04 0.00 0.00 34.50 32.54 1wf8 s PRO 101 CO 0.38 -0.42 1.09 -1.13 0.04 0.00 0.00 177.00 176.96 1wf8 n SER 102 N -0.92 -1.58 0.00 6.66 3.41 -1.26 -5.06 113.62 114.87 1wf8 n SER 102 Ca 0.09 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1wf8 n SER 102 Cb 0.52 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 1wf8 n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf8 n GLY 103 N 2.55 0.27 3.80 5.00 0.00 -1.26 -5.05 105.19 110.50 1wf8 n GLY 103 Ca 0.11 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1wf8 n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf8 s PRO 104 N 0.00 3.56 0.00 1.61 0.04 -1.26 -5.05 135.00 133.90 1wf8 s PRO 104 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1wf8 s PRO 104 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wf8 s PRO 104 CO 0.00 -0.62 0.00 -1.13 0.04 0.00 0.00 177.00 175.29 1wf8 n SER 105 N -1.56 0.00 -4.33 6.66 3.41 -1.26 -5.11 113.62 111.42 1wf8 n SER 105 Ca 0.09 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.24 1wf8 n SER 105 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1wf8 n SER 105 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wf8 s SER 106 N 0.00 6.39 0.00 4.04 0.15 -1.26 -5.19 113.70 117.83 1wf8 s SER 106 Ca 0.00 -2.02 0.20 0.00 0.70 0.00 0.00 55.95 54.82 1wf8 s SER 106 Cb 0.00 -2.24 0.16 0.00 -1.71 0.00 0.00 66.02 62.23 1wf8 s SER 106 CO 0.00 -0.83 1.12 0.61 1.20 0.00 0.00 173.24 175.35