#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 6.43 0.52 1.61 1.04 -1.26 -5.08 113.70 116.95 1wf8 s SER 2 Ca 0.00 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 56.70 1wf8 s SER 2 Cb 0.00 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 64.00 1wf8 s SER 2 CO 0.00 0.26 1.05 -0.44 0.98 0.00 0.00 173.24 175.09 1wf8 s SER 3 N -1.79 6.17 0.00 7.02 0.01 -1.26 -5.04 113.70 118.81 1wf8 s SER 3 Ca 0.27 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1wf8 s SER 3 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1wf8 s SER 3 CO 0.17 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1wf8 n GLY 4 N -0.41 5.58 2.13 3.44 0.00 -1.26 -5.12 105.19 109.55 1wf8 n GLY 4 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1wf8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf8 n SER 5 N 0.00 -2.39 -4.75 1.61 2.88 -1.26 -5.12 113.62 104.60 1wf8 n SER 5 Ca 0.00 0.52 -0.41 0.00 -1.33 0.00 0.00 58.87 57.65 1wf8 n SER 5 Cb 0.00 2.42 -0.03 0.00 -0.75 0.00 0.00 64.21 65.84 1wf8 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wf8 s SER 6 N -1.70 7.08 -0.58 -3.46 0.01 -1.26 -4.99 113.70 108.80 1wf8 s SER 6 Ca 0.00 2.31 0.05 0.00 1.31 0.00 0.00 55.95 59.63 1wf8 s SER 6 Cb 0.00 -2.62 0.19 0.00 0.21 0.00 0.00 66.02 63.81 1wf8 s SER 6 CO 0.00 -0.34 0.51 0.61 0.41 0.00 0.00 173.24 174.42 1wf8 n GLY 7 N 1.76 3.54 3.23 3.44 0.00 -1.26 -5.08 105.19 110.82 1wf8 n GLY 7 Ca 0.02 -2.17 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.22 2.25 -0.87 0.99 2.01 -1.26 -4.13 118.68 116.44 1wf8 s LEU 8 Ca 0.31 -0.60 -0.24 0.00 0.01 0.00 0.00 54.13 53.61 1wf8 s LEU 8 Cb 0.04 -0.79 0.05 0.00 0.01 0.00 0.00 46.19 45.50 1wf8 s LEU 8 CO -0.14 0.05 1.32 -0.70 1.01 0.00 0.00 176.35 177.89 1wf8 s GLU 9 N -1.59 3.39 -0.42 1.70 2.12 0.53 -4.82 118.70 119.62 1wf8 s GLU 9 Ca 0.04 -0.81 -0.19 0.00 0.36 0.00 0.00 54.97 54.37 1wf8 s GLU 9 Cb -0.09 -4.77 0.02 0.00 0.26 0.00 0.00 34.13 29.55 1wf8 s GLU 9 CO 0.03 -2.12 0.56 -0.51 -0.54 0.00 0.00 175.26 172.69 1wf8 s LEU 10 N 5.01 4.58 -0.04 2.70 2.01 -1.25 -0.85 118.68 130.85 1wf8 s LEU 10 Ca 0.39 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 54.16 1wf8 s LEU 10 Cb -0.05 -2.61 0.01 0.00 0.01 0.00 0.00 46.19 43.55 1wf8 s LEU 10 CO 0.01 -0.68 -0.09 0.72 1.01 0.00 0.00 176.35 177.32 1wf8 s PHE 11 N 2.56 1.05 0.12 0.29 -0.71 -0.79 -4.97 117.98 115.53 1wf8 s PHE 11 Ca 0.19 -0.30 -0.30 0.00 -1.04 0.00 0.00 56.93 55.48 1wf8 s PHE 11 Cb -0.15 -0.77 -0.06 0.00 -1.21 0.00 0.00 43.02 40.82 1wf8 s PHE 11 CO 0.17 -0.15 1.14 -1.25 -1.34 0.00 0.00 175.22 173.79 1wf8 s PRO 12 N 0.39 4.51 -0.19 1.99 0.04 -1.26 -2.07 135.00 138.41 1wf8 s PRO 12 Ca -0.07 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.72 1wf8 s PRO 12 Cb -0.11 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.14 1wf8 s PRO 12 CO 0.01 -0.09 -0.15 0.08 0.04 0.00 0.00 177.00 176.89 1wf8 s VAL 13 N 0.42 1.85 -0.24 -0.36 1.01 0.49 -4.90 120.40 118.67 1wf8 s VAL 13 Ca 0.54 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1wf8 s VAL 13 Cb -0.29 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1wf8 s VAL 13 CO 0.32 0.37 0.97 -1.61 0.00 0.00 0.00 175.10 175.15 1wf8 s GLU 14 N 1.34 4.22 -0.04 2.72 2.02 -1.26 0.42 118.70 128.13 1wf8 s GLU 14 Ca 0.02 1.20 0.07 0.00 0.02 0.00 0.00 54.97 56.28 1wf8 s GLU 14 Cb -0.14 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1wf8 s GLU 14 CO -0.10 -0.61 -0.26 -0.51 0.02 0.00 0.00 175.26 173.80 1wf8 s LEU 15 N 3.10 2.06 -0.39 1.80 1.43 0.30 -4.94 118.68 122.04 1wf8 s LEU 15 Ca 0.41 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1wf8 s LEU 15 Cb -0.15 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1wf8 s LEU 15 CO 0.07 0.29 0.22 -1.61 0.23 0.00 0.00 176.35 175.55 1wf8 s GLU 16 N -0.41 2.75 0.79 1.70 2.02 -1.26 0.12 118.70 124.41 1wf8 s GLU 16 Ca 0.04 -1.21 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 1wf8 s GLU 16 Cb -0.12 -3.74 -0.14 0.00 0.10 0.00 0.00 34.13 30.24 1wf8 s GLU 16 CO 0.01 -0.78 -0.56 1.63 0.02 0.00 0.00 175.26 175.58 1wf8 n LYS 17 N 4.97 0.00 -4.63 1.61 5.02 0.62 -4.81 118.16 120.94 1wf8 n LYS 17 Ca -0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 1wf8 n LYS 17 Cb 0.45 -0.94 -0.09 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 -0.94 3.48 0.63 4.39 1.01 0.51 -4.86 116.67 120.88 1wf8 s ASP 18 Ca 0.43 -1.59 0.24 0.00 0.71 0.00 0.00 52.55 52.33 1wf8 s ASP 18 Cb -0.26 0.33 1.18 0.00 1.01 0.00 0.00 42.92 45.18 1wf8 s ASP 18 CO 0.73 -0.80 1.65 1.05 0.21 0.00 0.00 175.17 178.01 1wf8 h GLU 19 N 1.63 0.00 0.00 8.23 4.11 -2.00 1.42 114.58 127.97 1wf8 h GLU 19 Ca -0.41 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.89 1wf8 h GLU 19 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1wf8 h GLU 19 CO 0.69 0.00 -1.99 -3.47 0.07 0.00 0.00 179.01 174.31 1wf8 n ASP 20 N -3.16 0.70 0.00 3.06 -0.08 -1.26 -5.10 116.55 110.71 1wf8 n ASP 20 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1wf8 n ASP 20 Cb 0.78 1.49 0.00 0.00 2.34 0.00 0.00 41.12 45.73 1wf8 n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wf8 n GLY 21 N 1.63 0.16 0.15 0.27 0.00 0.49 -4.75 105.19 103.14 1wf8 n GLY 21 Ca -0.13 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.23 -1.84 0.99 3.38 -1.92 1.48 115.31 117.17 1wf8 h LEU 22 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1wf8 h LEU 22 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1wf8 h LEU 22 CO 0.00 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1wf8 n GLY 23 N 0.04 0.52 3.17 0.83 0.00 -1.26 -3.25 105.19 105.24 1wf8 n GLY 23 Ca -0.09 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.99 0.14 0.13 -0.61 -4.36 -1.26 -2.94 121.20 109.31 1wf8 s ILE 24 Ca 0.00 -1.19 0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1wf8 s ILE 24 Cb 0.00 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1wf8 s ILE 24 CO 0.00 -0.66 -0.13 -0.44 0.24 0.00 0.00 174.94 173.95 1wf8 s SER 25 N -2.58 4.19 0.29 4.36 0.01 -0.36 -4.93 113.70 114.68 1wf8 s SER 25 Ca 0.01 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1wf8 s SER 25 Cb 0.03 -0.71 -0.06 0.00 0.21 0.00 0.00 66.02 65.49 1wf8 s SER 25 CO -0.08 0.16 0.02 0.27 0.41 0.00 0.00 173.24 174.02 1wf8 s ILE 26 N -1.30 1.22 -0.05 1.44 -4.36 -1.26 -1.95 121.20 114.94 1wf8 s ILE 26 Ca 0.21 -2.03 -0.07 0.00 -0.26 0.00 0.00 60.65 58.49 1wf8 s ILE 26 Cb -0.10 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 41.00 1wf8 s ILE 26 CO 0.13 -0.14 0.19 -0.51 0.24 0.00 0.00 174.94 174.85 1wf8 s ILE 27 N -3.28 0.02 -0.36 8.37 2.07 0.26 -4.28 121.20 123.99 1wf8 s ILE 27 Ca 0.33 -0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 59.21 1wf8 s ILE 27 Cb 0.07 -0.34 -0.00 0.00 0.13 0.00 0.00 42.46 42.32 1wf8 s ILE 27 CO 0.13 -0.11 0.44 -0.83 -1.91 0.00 0.00 174.94 172.67 1wf8 s GLY 28 N -0.34 1.86 0.16 1.50 0.00 -1.26 -1.94 107.32 107.31 1wf8 s GLY 28 Ca -0.04 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.51 1wf8 s GLY 28 CO 0.01 1.15 -0.06 1.06 0.00 0.00 0.00 173.10 175.26 1wf8 s MET 29 N 2.21 1.10 -0.37 2.90 1.00 -1.12 -5.01 119.30 120.02 1wf8 s MET 29 Ca 0.15 -1.50 -0.08 0.00 0.00 0.00 0.00 55.69 54.26 1wf8 s MET 29 Cb -0.16 -0.51 0.05 0.00 0.00 0.00 0.00 34.83 34.20 1wf8 s MET 29 CO 0.13 -0.01 0.17 0.20 0.00 0.00 0.00 175.02 175.51 1wf8 s GLY 30 N -3.18 1.89 0.04 -0.03 0.00 -1.26 0.75 107.32 105.53 1wf8 s GLY 30 Ca 0.20 -1.85 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 1wf8 s GLY 30 CO 0.02 0.84 0.51 0.14 0.00 0.00 0.00 173.10 174.61 1wf8 s VAL 31 N 1.44 4.86 -0.52 1.40 1.01 -0.94 -4.50 120.40 123.15 1wf8 s VAL 31 Ca 0.00 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.86 1wf8 s VAL 31 Cb -0.20 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1wf8 s VAL 31 CO 0.03 0.56 0.54 0.61 0.00 0.00 0.00 175.10 176.84 1wf8 n GLY 32 N 1.80 -0.40 3.29 4.51 0.00 -1.26 -2.37 105.19 110.76 1wf8 n GLY 32 Ca -0.12 0.78 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.94 3.40 -0.63 4.61 0.00 -1.26 -4.00 121.76 121.94 1wf8 s ALA 33 Ca 0.18 -2.22 -0.02 0.00 0.00 0.00 0.00 51.96 49.91 1wf8 s ALA 33 Cb -0.02 -2.82 0.40 0.00 0.00 0.00 0.00 23.12 20.68 1wf8 s ALA 33 CO 0.75 -1.73 2.05 -0.25 0.00 0.00 0.00 175.76 176.58 1wf8 n ASP 34 N 5.01 7.51 -3.85 0.00 9.92 -1.25 -4.85 116.55 129.03 1wf8 n ASP 34 Ca -0.11 -3.68 -0.32 0.00 -0.53 0.00 0.00 54.79 50.15 1wf8 n ASP 34 Cb 0.43 -1.00 0.01 0.00 -0.64 0.00 0.00 41.12 39.92 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 -0.69 -2.37 0.00 2.24 0.00 -1.26 -4.16 120.51 114.27 1wf8 n ALA 35 Ca 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1wf8 n ALA 35 Cb 0.62 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 -1.88 1.34 2.72 0.00 0.00 -1.26 -5.00 105.19 101.11 1wf8 n GLY 36 Ca -0.17 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1wf8 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wf8 n LEU 37 N 0.00 6.92 -4.87 0.99 4.77 -1.26 -4.99 117.00 118.56 1wf8 n LEU 37 Ca 0.00 -5.39 -0.37 0.00 -0.03 0.00 0.00 56.01 50.22 1wf8 n LEU 37 Cb 0.00 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1wf8 n LEU 37 CO 0.00 2.02 -0.09 -1.83 -1.33 0.00 0.00 177.39 176.16 1wf8 s GLU 38 N -4.00 3.57 -0.36 3.23 -1.05 -1.26 -3.88 118.70 114.95 1wf8 s GLU 38 Ca 0.39 0.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.24 1wf8 s GLU 38 Cb 0.18 -3.20 0.11 0.00 -0.44 0.00 0.00 34.13 30.78 1wf8 s GLU 38 CO -0.09 0.76 0.13 0.15 0.95 0.00 0.00 175.26 177.15 1wf8 s LYS 39 N -1.04 1.12 -0.08 -4.83 1.02 -1.00 -4.91 119.74 110.01 1wf8 s LYS 39 Ca 0.17 -1.59 -0.36 0.00 0.02 0.00 0.00 55.97 54.21 1wf8 s LYS 39 Cb -0.13 -2.46 -0.14 0.00 -0.52 0.00 0.00 37.83 34.57 1wf8 s LYS 39 CO 0.07 -1.02 1.72 -0.11 -0.92 0.00 0.00 175.35 175.09 1wf8 n LEU 40 N 4.28 2.84 -4.46 3.17 7.94 -1.26 -2.21 117.00 127.31 1wf8 n LEU 40 Ca 0.02 1.04 -0.37 0.00 -1.11 0.00 0.00 56.01 55.59 1wf8 n LEU 40 Cb 0.40 -1.29 -0.12 0.00 0.53 0.00 0.00 43.42 42.94 1wf8 n LEU 40 CO 0.19 -0.33 -0.25 -0.83 -1.11 0.00 0.00 177.39 175.05 1wf8 s GLY 41 N 2.96 1.81 -0.48 -3.96 0.00 0.23 -1.40 107.32 106.47 1wf8 s GLY 41 Ca 0.91 -1.19 -0.27 0.00 0.00 0.00 0.00 44.72 44.17 1wf8 s GLY 41 CO 0.53 0.59 1.02 -0.42 0.00 0.00 0.00 173.10 174.82 1wf8 s ILE 42 N 1.63 4.34 0.31 0.90 -1.09 -1.25 -2.78 121.20 123.25 1wf8 s ILE 42 Ca 0.06 0.89 0.08 0.00 -2.23 0.00 0.00 60.65 59.45 1wf8 s ILE 42 Cb -0.16 -4.53 -0.03 0.00 -1.58 0.00 0.00 42.46 36.16 1wf8 s ILE 42 CO 0.05 -0.96 0.20 -0.36 -1.23 0.00 0.00 174.94 172.64 1wf8 s PHE 43 N 4.11 2.87 -0.47 3.97 0.08 -0.82 -1.27 117.98 126.45 1wf8 s PHE 43 Ca 0.41 -0.28 -0.23 0.00 0.12 0.00 0.00 56.93 56.95 1wf8 s PHE 43 Cb -0.09 -1.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1wf8 s PHE 43 CO 0.28 0.34 0.80 0.08 -0.10 0.00 0.00 175.22 176.61 1wf8 s VAL 44 N -2.31 4.63 0.20 -0.44 1.01 0.93 0.89 120.40 125.31 1wf8 s VAL 44 Ca 0.37 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1wf8 s VAL 44 Cb -0.05 -4.35 0.13 0.00 0.00 0.00 0.00 36.38 32.10 1wf8 s VAL 44 CO 0.24 -0.78 1.79 0.50 0.00 0.00 0.00 175.10 176.86 1wf8 h LYS 45 N 9.03 1.01 -2.43 2.72 1.63 -1.57 1.10 116.57 128.05 1wf8 h LYS 45 Ca -0.25 -0.14 0.20 0.00 -0.85 0.00 0.00 60.65 59.61 1wf8 h LYS 45 Cb 1.08 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 1wf8 h LYS 45 CO 0.98 0.78 0.65 -0.08 -3.45 0.00 0.00 179.45 178.32 1wf8 s THR 46 N -5.76 0.00 -0.08 1.00 -1.32 -1.25 -4.57 115.64 103.67 1wf8 s THR 46 Ca -0.13 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.87 1wf8 s THR 46 Cb 0.14 -2.86 0.02 0.00 -1.51 0.00 0.00 72.50 68.29 1wf8 s THR 46 CO 0.80 0.00 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.40 1wf8 s VAL 47 N -2.17 1.16 0.27 5.08 1.01 -1.26 -1.23 120.40 123.26 1wf8 s VAL 47 Ca 0.23 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1wf8 s VAL 47 Cb -0.02 -1.09 -0.12 0.00 0.00 0.00 0.00 36.38 35.15 1wf8 s VAL 47 CO 0.04 0.37 1.51 0.41 0.00 0.00 0.00 175.10 177.42 1wf8 n THR 48 N 4.10 0.99 -2.28 3.92 -1.04 -1.15 -4.87 114.28 113.94 1wf8 n THR 48 Ca -0.20 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.05 61.16 1wf8 n THR 48 Cb 0.51 -1.73 -0.03 0.00 -1.82 0.00 0.00 70.33 67.26 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 -0.46 2.90 0.00 -2.82 2.12 -1.26 -2.86 118.70 116.32 1wf8 s GLU 49 Ca 0.66 0.19 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1wf8 s GLU 49 Cb -0.57 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 29.52 1wf8 s GLU 49 CO 0.49 -2.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.16 1wf8 n GLY 50 N 5.57 0.93 0.00 -1.50 0.00 -1.26 -5.13 105.19 103.80 1wf8 n GLY 50 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 3.91 0.07 -0.02 0.00 -1.14 -4.94 105.19 103.08 1wf8 n GLY 51 Ca 0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 0.28 0.03 -0.64 4.61 0.00 -1.79 -2.26 119.26 119.48 1wf8 h ALA 52 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1wf8 h ALA 52 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1wf8 h ALA 52 CO 0.00 0.09 0.35 0.00 0.00 0.00 0.00 179.25 179.69 1wf8 h ALA 53 N -0.20 0.83 0.87 0.00 0.00 -1.80 -1.11 119.26 117.84 1wf8 h ALA 53 Ca -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1wf8 h ALA 53 Cb 0.90 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1wf8 h ALA 53 CO -0.02 0.34 -0.42 0.37 0.00 0.00 0.00 179.25 179.52 1wf8 h GLN 54 N 0.88 -1.13 -0.71 0.00 -0.00 -1.81 -1.38 115.11 110.97 1wf8 h GLN 54 Ca 0.23 0.08 0.14 0.00 -0.00 0.00 0.00 58.65 59.09 1wf8 h GLN 54 Cb 0.05 0.26 -0.13 0.00 0.00 0.00 0.00 27.48 27.65 1wf8 h GLN 54 CO -0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 178.83 177.83 1wf8 h ARG 55 N -1.20 -0.03 -0.35 1.69 3.08 -1.33 0.22 114.38 116.47 1wf8 h ARG 55 Ca -0.12 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.01 1wf8 h ARG 55 Cb 0.90 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.88 1wf8 h ARG 55 CO 0.20 -0.02 -0.17 0.22 -1.07 0.00 0.00 179.97 179.13 1wf8 h ASP 56 N -0.03 -0.58 0.00 7.04 1.82 -1.08 -3.46 116.42 120.13 1wf8 h ASP 56 Ca 0.33 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1wf8 h ASP 56 Cb 0.54 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1wf8 h ASP 56 CO -0.74 -0.21 0.00 0.61 -1.61 0.00 0.00 179.24 177.29 1wf8 n GLY 57 N -1.35 0.72 0.02 -0.78 0.00 0.78 -4.96 105.19 99.61 1wf8 n GLY 57 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1wf8 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wf8 h ARG 58 N 2.40 0.00 -6.24 1.61 2.47 -1.82 -3.45 114.38 109.35 1wf8 h ARG 58 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1wf8 h ARG 58 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1wf8 h ARG 58 CO 0.00 0.00 1.06 0.42 0.56 0.00 0.00 179.97 182.01 1wf8 s ILE 59 N -1.32 3.71 0.50 2.04 1.01 -1.26 -4.99 121.20 120.89 1wf8 s ILE 59 Ca -0.03 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.55 1wf8 s ILE 59 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.94 1wf8 s ILE 59 CO 0.04 -0.08 0.47 -1.10 0.00 0.00 0.00 174.94 174.26 1wf8 s GLN 60 N 3.97 2.38 0.42 2.79 -1.52 -1.26 -4.66 119.66 121.78 1wf8 s GLN 60 Ca 0.70 -1.74 -0.22 0.00 -1.95 0.00 0.00 55.36 52.15 1wf8 s GLN 60 Cb -0.31 -2.32 -0.10 0.00 -0.22 0.00 0.00 33.01 30.06 1wf8 s GLN 60 CO 0.27 -0.48 0.97 0.08 -0.25 0.00 0.00 175.29 175.87 1wf8 s VAL 61 N -2.63 4.21 0.00 1.09 1.01 -1.26 -3.06 120.40 119.77 1wf8 s VAL 61 Ca 0.45 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1wf8 s VAL 61 Cb -0.03 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1wf8 s VAL 61 CO 0.27 -0.20 0.00 0.59 0.00 0.00 0.00 175.10 175.77 1wf8 n ASN 62 N -0.42 -0.29 -4.27 3.32 3.02 0.38 -4.94 115.26 112.06 1wf8 n ASN 62 Ca 0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.32 1wf8 n ASN 62 Cb 0.53 -0.42 0.25 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.78 0.84 -0.15 6.41 1.11 -1.17 -4.50 116.67 116.43 1wf8 s ASP 63 Ca 0.00 1.21 -0.01 0.00 0.18 0.00 0.00 52.55 53.94 1wf8 s ASP 63 Cb 0.00 -1.86 0.04 0.00 1.07 0.00 0.00 42.92 42.17 1wf8 s ASP 63 CO 0.00 -4.24 -0.06 -1.58 1.18 0.00 0.00 175.17 170.47 1wf8 s GLN 64 N -4.76 1.43 -0.94 8.23 0.74 -1.26 -0.05 119.66 123.04 1wf8 s GLN 64 Ca 0.68 -0.44 -0.22 0.00 0.05 0.00 0.00 55.36 55.43 1wf8 s GLN 64 Cb -0.20 -1.89 0.08 0.00 1.10 0.00 0.00 33.01 32.10 1wf8 s GLN 64 CO 0.61 -0.39 1.29 0.42 -0.55 0.00 0.00 175.29 176.66 1wf8 s ILE 65 N 1.66 4.23 0.09 -2.34 1.01 -0.40 -1.97 121.20 123.48 1wf8 s ILE 65 Ca 0.02 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 1wf8 s ILE 65 Cb -0.15 -4.92 -0.08 0.00 0.01 0.00 0.00 42.46 37.33 1wf8 s ILE 65 CO -0.08 -1.74 1.50 0.58 0.00 0.00 0.00 174.94 175.20 1wf8 h VAL 66 N 6.34 1.27 -4.14 2.92 2.07 -1.38 -3.38 116.25 119.95 1wf8 h VAL 66 Ca 0.12 -1.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 1wf8 h VAL 66 Cb 1.02 1.38 -0.16 0.00 -1.52 0.00 0.00 31.29 32.02 1wf8 h VAL 66 CO 1.28 0.32 -0.64 -0.70 0.02 0.00 0.00 177.57 177.86 1wf8 s GLU 67 N -4.86 0.61 -0.08 1.57 2.12 -1.18 -0.78 118.70 116.10 1wf8 s GLU 67 Ca -0.13 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.06 1wf8 s GLU 67 Cb 0.08 0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.73 1wf8 s GLU 67 CO 0.76 -0.13 0.14 0.08 -0.54 0.00 0.00 175.26 175.58 1wf8 s VAL 68 N -3.62 -0.23 -1.49 3.70 1.01 0.46 -0.89 120.40 119.34 1wf8 s VAL 68 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1wf8 s VAL 68 Cb 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1wf8 s VAL 68 CO -0.09 0.12 0.00 -0.90 0.00 0.00 0.00 175.10 174.23 1wf8 n ASP 69 N 5.32 -3.83 0.00 3.32 5.68 0.65 0.13 116.55 127.82 1wf8 n ASP 69 Ca -0.04 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1wf8 n ASP 69 Cb 0.50 -3.49 0.00 0.00 -1.14 0.00 0.00 41.12 36.98 1wf8 n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wf8 n GLY 70 N -0.24 2.17 3.76 6.12 0.00 -1.26 -4.91 105.19 110.84 1wf8 n GLY 70 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.24 2.77 -0.24 -0.61 1.01 0.35 -4.98 121.20 117.26 1wf8 s ILE 71 Ca 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 60.65 61.10 1wf8 s ILE 71 Cb 0.00 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1wf8 s ILE 71 CO 0.00 -0.04 0.16 -0.55 0.00 0.00 0.00 174.94 174.51 1wf8 s SER 72 N -1.35 6.07 -0.48 3.58 0.15 -1.26 0.17 113.70 120.59 1wf8 s SER 72 Ca 0.69 0.09 0.03 0.00 0.70 0.00 0.00 55.95 57.46 1wf8 s SER 72 Cb -0.31 -2.10 0.50 0.00 -1.71 0.00 0.00 66.02 62.40 1wf8 s SER 72 CO 0.37 0.06 1.71 0.18 1.20 0.00 0.00 173.24 176.76 1wf8 n LEU 73 N 4.34 6.25 -4.66 3.45 4.77 0.04 -4.94 117.00 126.26 1wf8 n LEU 73 Ca -0.15 -4.21 -0.34 0.00 -0.03 0.00 0.00 56.01 51.28 1wf8 n LEU 73 Cb 0.52 -0.74 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1wf8 n LEU 73 CO 0.35 1.53 -0.33 -0.69 -1.33 0.00 0.00 177.39 176.92 1wf8 s VAL 74 N -4.26 4.13 -1.48 4.08 1.01 -1.25 -3.96 120.40 118.67 1wf8 s VAL 74 Ca 0.57 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1wf8 s VAL 74 Cb 0.46 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 34.17 1wf8 s VAL 74 CO 0.02 0.58 0.89 0.61 0.00 0.00 0.00 175.10 177.20 1wf8 n GLY 75 N 2.07 -0.44 3.12 4.51 0.00 -0.50 -4.91 105.19 109.04 1wf8 n GLY 75 Ca -0.18 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.42 0.90 0.39 1.61 -7.23 -1.23 -4.69 120.40 106.73 1wf8 s VAL 76 Ca 0.48 -1.10 -0.26 0.00 -1.81 0.00 0.00 61.98 59.29 1wf8 s VAL 76 Cb -0.24 -0.88 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1wf8 s VAL 76 CO 0.83 -0.20 1.22 0.28 -0.31 0.00 0.00 175.10 176.93 1wf8 s THR 77 N -1.14 2.94 0.30 5.32 -1.32 -1.26 -4.62 115.64 115.86 1wf8 s THR 77 Ca -0.03 0.84 0.03 0.00 -1.21 0.00 0.00 61.69 61.32 1wf8 s THR 77 Cb -0.09 -3.49 0.39 0.00 -1.51 0.00 0.00 72.50 67.80 1wf8 s THR 77 CO 0.01 0.11 1.47 1.67 -2.21 0.00 0.00 174.62 175.68 1wf8 n GLN 78 N 0.24 -0.07 -0.17 7.08 7.27 -1.26 0.19 117.38 130.66 1wf8 n GLN 78 Ca 0.03 1.39 -0.10 0.00 0.07 0.00 0.00 57.00 58.39 1wf8 n GLN 78 Cb 0.45 -2.24 -0.08 0.00 2.41 0.00 0.00 30.24 30.78 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 -1.56 -0.79 1.69 2.35 -1.99 0.19 115.58 115.47 1wf8 h ASN 79 Ca 0.59 0.21 0.09 0.00 -0.55 0.00 0.00 56.30 56.64 1wf8 h ASN 79 Cb 1.26 0.66 -0.12 0.00 0.05 0.00 0.00 38.32 40.17 1wf8 h ASN 79 CO -0.87 -0.29 -0.53 0.15 -1.65 0.00 0.00 177.43 174.25 1wf8 h PHE 80 N -0.23 -1.63 -0.92 1.19 3.57 -0.60 0.85 116.94 119.17 1wf8 h PHE 80 Ca 0.08 0.11 0.19 0.00 3.53 0.00 0.00 57.97 61.87 1wf8 h PHE 80 Cb 0.44 0.82 -0.11 0.00 2.79 0.00 0.00 35.95 39.88 1wf8 h PHE 80 CO -0.79 -0.41 0.49 0.00 -2.23 0.00 0.00 178.31 175.37 1wf8 h ALA 81 N 0.53 1.47 -0.90 2.41 0.00 -1.03 0.66 119.26 122.41 1wf8 h ALA 81 Ca 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1wf8 h ALA 81 Cb 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1wf8 h ALA 81 CO -0.83 -0.16 0.49 0.00 0.00 0.00 0.00 179.25 178.76 1wf8 h ALA 82 N 1.64 1.17 0.14 0.00 0.00 0.35 0.12 119.26 122.69 1wf8 h ALA 82 Ca 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1wf8 h ALA 82 Cb 0.88 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wf8 h ALA 82 CO -0.42 0.66 -0.07 1.15 0.00 0.00 0.00 179.25 180.57 1wf8 h THR 83 N 1.26 1.01 -0.05 0.00 2.02 0.37 -1.84 112.91 115.66 1wf8 h THR 83 Ca 0.32 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1wf8 h THR 83 Cb 0.03 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1wf8 h THR 83 CO -0.05 0.19 -0.30 0.58 0.37 0.00 0.00 175.52 176.31 1wf8 h VAL 84 N -0.61 0.33 -0.35 3.16 2.07 0.10 0.91 116.25 121.86 1wf8 h VAL 84 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1wf8 h VAL 84 Cb 0.46 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1wf8 h VAL 84 CO 0.03 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.88 1wf8 h LEU 85 N -0.42 0.00 0.00 2.57 3.38 -0.81 0.89 115.31 120.92 1wf8 h LEU 85 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1wf8 h LEU 85 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1wf8 h LEU 85 CO -0.29 0.00 -0.68 0.03 0.09 0.00 0.00 178.44 177.59 1wf8 h ARG 86 N 0.00 0.00 0.06 1.13 3.08 0.65 -3.31 114.38 115.99 1wf8 h ARG 86 Ca 0.16 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.98 1wf8 h ARG 86 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.89 1wf8 h ARG 86 CO -0.00 0.11 -0.96 -0.91 -1.07 0.00 0.00 179.97 177.14 1wf8 h ASN 87 N 0.00 0.74 -1.84 7.04 2.35 0.76 -3.46 115.58 121.17 1wf8 h ASN 87 Ca -0.02 -0.80 -0.52 0.00 -0.55 0.00 0.00 56.30 54.40 1wf8 h ASN 87 Cb 1.14 -0.23 0.24 0.00 0.05 0.00 0.00 38.32 39.53 1wf8 h ASN 87 CO 0.02 1.46 -1.96 0.35 -1.65 0.00 0.00 177.43 175.64 1wf8 n THR 88 N -3.97 0.00 -3.82 2.81 -2.24 -0.00 -5.01 114.28 102.04 1wf8 n THR 88 Ca -0.12 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wf8 n THR 88 Cb 0.85 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.67 0.27 0.00 -0.78 4.76 -1.26 -5.04 118.16 117.78 1wf8 n LYS 89 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1wf8 n LYS 89 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1wf8 n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wf8 n GLY 90 N 0.58 0.00 3.78 0.72 0.00 -1.26 -3.89 105.19 105.13 1wf8 n GLY 90 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 7.32 -0.01 1.61 3.04 -1.26 0.23 114.94 125.87 1wf8 s ASN 91 Ca 0.00 1.57 0.01 0.00 0.04 0.00 0.00 52.86 54.48 1wf8 s ASN 91 Cb 0.00 -2.47 0.01 0.00 -1.54 0.00 0.00 41.25 37.25 1wf8 s ASN 91 CO 0.00 0.21 -0.01 -0.69 -3.04 0.00 0.00 177.10 173.57 1wf8 s VAL 92 N -1.16 0.15 -0.39 -5.21 1.01 0.33 -4.92 120.40 110.21 1wf8 s VAL 92 Ca 0.35 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1wf8 s VAL 92 Cb -0.22 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1wf8 s VAL 92 CO 0.25 0.08 0.23 -0.60 0.00 0.00 0.00 175.10 175.05 1wf8 s ARG 93 N 0.33 2.82 -0.23 2.72 3.52 -1.26 0.11 118.95 126.95 1wf8 s ARG 93 Ca -0.03 -1.12 -0.08 0.00 -0.13 0.00 0.00 55.73 54.37 1wf8 s ARG 93 Cb -0.05 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1wf8 s ARG 93 CO -0.01 -0.75 0.09 -0.06 -0.81 0.00 0.00 175.30 173.76 1wf8 s PHE 94 N 1.56 3.15 -0.71 5.12 0.08 0.17 0.24 117.98 127.58 1wf8 s PHE 94 Ca 0.02 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 1wf8 s PHE 94 Cb -0.20 -2.21 0.18 0.00 -0.57 0.00 0.00 43.02 40.22 1wf8 s PHE 94 CO 0.07 -0.18 0.65 0.08 -0.10 0.00 0.00 175.22 175.74 1wf8 s VAL 95 N 1.28 5.35 0.53 -0.44 1.01 -0.07 0.18 120.40 128.24 1wf8 s VAL 95 Ca 0.05 -2.15 -0.16 0.00 0.00 0.00 0.00 61.98 59.73 1wf8 s VAL 95 Cb -0.15 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 1wf8 s VAL 95 CO 0.04 -0.96 0.99 -0.63 0.00 0.00 0.00 175.10 174.54 1wf8 s ILE 96 N 0.67 4.56 -0.28 2.22 -1.09 -0.88 -1.04 121.20 125.36 1wf8 s ILE 96 Ca 0.12 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.74 1wf8 s ILE 96 Cb -0.18 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1wf8 s ILE 96 CO -0.04 -0.75 -0.06 -0.83 -1.23 0.00 0.00 174.94 172.02 1wf8 s GLY 97 N -3.22 1.73 -0.00 6.18 0.00 -0.83 -1.89 107.32 109.29 1wf8 s GLY 97 Ca 0.58 -1.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 1wf8 s GLY 97 CO 0.34 0.69 0.16 -1.60 0.00 0.00 0.00 173.10 172.69 1wf8 s ARG 98 N 1.07 3.33 -0.12 2.90 6.06 -0.03 -4.49 118.95 127.67 1wf8 s ARG 98 Ca -0.04 -0.38 -0.29 0.00 -2.50 0.00 0.00 55.73 52.52 1wf8 s ARG 98 Cb -0.20 -3.03 -0.03 0.00 0.06 0.00 0.00 34.95 31.75 1wf8 s ARG 98 CO -0.05 0.66 1.49 -1.21 -2.50 0.00 0.00 175.30 173.68 1wf8 s GLU 99 N -1.93 4.16 0.60 5.12 2.02 -1.26 0.20 118.70 127.60 1wf8 s GLU 99 Ca 0.27 1.91 -0.13 0.00 0.02 0.00 0.00 54.97 57.03 1wf8 s GLU 99 Cb -0.12 -3.90 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 1wf8 s GLU 99 CO 0.18 -0.84 1.02 0.15 0.02 0.00 0.00 175.26 175.79 1wf8 s LYS 100 N 3.89 3.60 0.72 1.61 -0.14 -1.26 -4.88 119.74 123.27 1wf8 s LYS 100 Ca 0.65 0.87 -0.11 0.00 -1.36 0.00 0.00 55.97 56.03 1wf8 s LYS 100 Cb -0.27 -2.08 0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1wf8 s LYS 100 CO 0.23 -0.57 1.07 -1.25 -0.76 0.00 0.00 175.35 174.07 1wf8 s PRO 101 N -4.74 2.73 0.00 -1.68 0.04 -1.26 -5.02 135.00 125.06 1wf8 s PRO 101 Ca 0.57 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1wf8 s PRO 101 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1wf8 s PRO 101 CO 0.46 -1.23 0.00 -1.13 0.04 0.00 0.00 177.00 175.14 1wf8 n SER 102 N -3.21 0.00 0.00 6.66 3.41 -1.26 -5.17 113.62 114.05 1wf8 n SER 102 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1wf8 n SER 102 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 -1.12 0.16 5.00 0.00 -1.26 -5.06 105.19 102.90 1wf8 n GLY 103 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 1wf8 n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf8 h PRO 104 N 0.00 -0.28 -3.09 1.61 0.13 -2.07 -3.49 132.00 124.81 1wf8 h PRO 104 Ca 0.00 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1wf8 h PRO 104 Cb 0.00 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.09 1wf8 h PRO 104 CO 0.00 -0.08 0.15 -1.12 -0.23 0.00 0.00 178.00 176.72 1wf8 s SER 105 N -5.28 -0.42 -0.04 1.44 0.01 -1.26 -5.17 113.70 102.98 1wf8 s SER 105 Ca -0.07 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 56.99 1wf8 s SER 105 Cb 0.00 0.61 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 1wf8 s SER 105 CO 0.22 -1.05 -0.13 -0.44 0.41 0.00 0.00 173.24 172.26 1wf8 s SER 106 N -2.81 4.16 0.00 2.44 0.01 -1.26 -5.16 113.70 111.08 1wf8 s SER 106 Ca 0.05 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wf8 s SER 106 Cb -0.02 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1wf8 s SER 106 CO -0.07 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.53