#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 s SER 2 N 0.00 6.59 -0.65 1.61 0.01 -1.26 -5.01 113.70 115.00 1wf9 s SER 2 Ca 0.00 2.00 -0.09 0.00 1.31 0.00 0.00 55.95 59.17 1wf9 s SER 2 Cb 0.00 -2.58 0.17 0.00 0.21 0.00 0.00 66.02 63.82 1wf9 s SER 2 CO 0.00 -0.61 0.53 -0.44 0.41 0.00 0.00 173.24 173.13 1wf9 s SER 3 N -1.73 5.91 -0.78 2.44 0.01 -1.26 -4.73 113.70 113.57 1wf9 s SER 3 Ca 0.62 -2.51 -0.00 0.00 1.31 0.00 0.00 55.95 55.36 1wf9 s SER 3 Cb -0.20 -2.03 -0.00 0.00 0.21 0.00 0.00 66.02 64.00 1wf9 s SER 3 CO 0.25 -0.54 0.67 0.61 0.41 0.00 0.00 173.24 174.63 1wf9 n GLY 4 N 4.09 -1.27 3.83 3.44 0.00 -1.26 -4.95 105.19 109.07 1wf9 n GLY 4 Ca 0.05 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 1wf9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 5 N -3.00 6.42 0.11 1.61 0.15 -1.26 -5.00 113.70 112.73 1wf9 s SER 5 Ca 0.01 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1wf9 s SER 5 Cb -0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wf9 s SER 5 CO 0.81 -0.73 0.00 -0.24 1.20 0.00 0.00 173.24 174.28 1wf9 n SER 6 N -1.63 0.65 0.00 5.45 2.88 -1.26 -5.09 113.62 114.62 1wf9 n SER 6 Ca 0.07 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1wf9 n SER 6 Cb 0.54 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1wf9 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf9 n GLY 7 N 3.00 3.64 2.87 0.46 0.00 -1.26 -4.36 105.19 109.53 1wf9 n GLY 7 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1wf9 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wf9 s THR 8 N 0.00 1.08 -0.06 2.61 2.01 -1.23 -5.03 115.64 115.02 1wf9 s THR 8 Ca 0.00 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 1wf9 s THR 8 Cb 0.00 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1wf9 s THR 8 CO 0.00 -0.01 0.30 -0.32 -0.69 0.00 0.00 174.62 173.89 1wf9 s MET 9 N 1.62 3.77 0.22 4.92 1.75 -1.26 -0.65 119.30 129.66 1wf9 s MET 9 Ca -0.01 0.18 0.10 0.00 -1.25 0.00 0.00 55.69 54.70 1wf9 s MET 9 Cb -0.17 -3.23 -0.05 0.00 2.84 0.00 0.00 34.83 34.23 1wf9 s MET 9 CO -0.07 0.68 -0.19 -0.51 -0.65 0.00 0.00 175.02 174.28 1wf9 s LEU 10 N -0.92 2.52 -0.41 4.11 1.43 -0.51 -3.52 118.68 121.38 1wf9 s LEU 10 Ca 0.20 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 1wf9 s LEU 10 Cb -0.15 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.16 1wf9 s LEU 10 CO 0.09 -0.02 0.31 -0.13 0.23 0.00 0.00 176.35 176.83 1wf9 s ARG 11 N -3.24 3.00 -0.54 1.70 0.52 -1.22 -2.48 118.95 116.69 1wf9 s ARG 11 Ca 0.23 -0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1wf9 s ARG 11 Cb -0.05 -3.97 0.14 0.00 0.52 0.00 0.00 34.95 31.59 1wf9 s ARG 11 CO 0.10 -0.75 0.43 0.08 0.02 0.00 0.00 175.30 175.18 1wf9 s VAL 12 N 1.73 4.48 -0.13 3.52 1.01 0.97 -0.46 120.40 131.52 1wf9 s VAL 12 Ca 0.06 -1.94 -0.29 0.00 0.00 0.00 0.00 61.98 59.81 1wf9 s VAL 12 Cb -0.19 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1wf9 s VAL 12 CO 0.10 -0.83 1.03 -0.60 0.00 0.00 0.00 175.10 174.80 1wf9 s ARG 13 N 1.12 4.38 0.17 2.72 6.06 0.52 -1.29 118.95 132.63 1wf9 s ARG 13 Ca 0.08 1.41 0.09 0.00 -2.50 0.00 0.00 55.73 54.81 1wf9 s ARG 13 Cb -0.24 -3.57 -0.04 0.00 0.06 0.00 0.00 34.95 31.16 1wf9 s ARG 13 CO -0.01 -0.39 -0.21 -1.54 -2.50 0.00 0.00 175.30 170.65 1wf9 s SER 14 N 1.15 2.92 0.39 -2.12 1.04 0.24 0.19 113.70 117.51 1wf9 s SER 14 Ca 0.48 -0.84 0.16 0.00 0.48 0.00 0.00 55.95 56.23 1wf9 s SER 14 Cb -0.18 -0.19 1.04 0.00 0.10 0.00 0.00 66.02 66.79 1wf9 s SER 14 CO 0.16 0.03 1.81 0.08 0.98 0.00 0.00 173.24 176.29 1wf9 h ARG 15 N 3.33 0.44 -0.18 4.02 0.11 -1.91 0.85 114.38 121.05 1wf9 h ARG 15 Ca -0.44 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.51 1wf9 h ARG 15 Cb 1.20 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1wf9 h ARG 15 CO 0.49 0.29 -0.34 0.22 0.10 0.00 0.00 179.97 180.72 1wf9 h ASP 16 N 0.46 0.38 0.00 0.08 1.82 -1.95 -3.48 116.42 113.72 1wf9 h ASP 16 Ca 0.54 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 1wf9 h ASP 16 Cb 1.28 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1wf9 h ASP 16 CO -0.25 0.71 0.00 0.61 -1.61 0.00 0.00 179.24 178.69 1wf9 n GLY 17 N -0.25 -1.81 3.80 -0.78 0.00 0.30 -5.13 105.19 101.32 1wf9 n GLY 17 Ca -0.01 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 1wf9 n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wf9 s LEU 18 N 0.00 4.46 0.06 0.99 1.98 -1.26 0.79 118.68 125.69 1wf9 s LEU 18 Ca 0.00 1.09 0.00 0.00 -2.89 0.00 0.00 54.13 52.33 1wf9 s LEU 18 Cb 0.00 -2.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 1wf9 s LEU 18 CO 0.00 0.22 -0.05 -1.61 -1.89 0.00 0.00 176.35 173.03 1wf9 s GLU 19 N -0.70 0.62 -0.01 1.98 2.02 -0.41 -4.93 118.70 117.27 1wf9 s GLU 19 Ca 0.27 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 54.22 1wf9 s GLU 19 Cb -0.18 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.03 1wf9 s GLU 19 CO 0.16 -0.05 -0.18 1.03 0.02 0.00 0.00 175.26 176.23 1wf9 s ARG 20 N -3.21 2.25 0.04 1.61 0.52 -1.26 -0.02 118.95 118.87 1wf9 s ARG 20 Ca 0.03 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1wf9 s ARG 20 Cb 0.02 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 1wf9 s ARG 20 CO -0.06 0.58 -0.09 0.08 0.02 0.00 0.00 175.30 175.83 1wf9 s VAL 21 N -0.78 0.65 -0.16 3.52 1.01 -1.03 -4.97 120.40 118.64 1wf9 s VAL 21 Ca 0.12 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1wf9 s VAL 21 Cb -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1wf9 s VAL 21 CO 0.02 -0.22 0.20 -0.55 0.00 0.00 0.00 175.10 174.55 1wf9 s SER 22 N -1.26 6.35 0.00 3.32 0.15 -1.26 -1.42 113.70 119.58 1wf9 s SER 22 Ca -0.05 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wf9 s SER 22 Cb -0.08 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1wf9 s SER 22 CO 0.01 0.20 0.00 1.33 1.20 0.00 0.00 173.24 175.98 1wf9 n VAL 23 N 3.19 0.00 -0.03 4.45 0.24 0.17 -4.96 118.33 121.39 1wf9 n VAL 23 Ca -0.15 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.11 1wf9 n VAL 23 Cb 0.52 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.88 1wf9 n VAL 23 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wf9 n ASP 24 N -1.11 0.94 0.00 -1.34 9.92 -1.26 -3.56 116.55 120.14 1wf9 n ASP 24 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1wf9 n ASP 24 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1wf9 n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wf9 n GLY 25 N 1.97 -0.65 0.18 0.44 0.00 -1.26 -4.54 105.19 101.33 1wf9 n GLY 25 Ca -0.06 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.52 1wf9 n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 h PRO 26 N 0.00 0.00 0.00 1.61 0.13 -1.97 -2.95 132.00 128.81 1wf9 h PRO 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wf9 h PRO 26 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wf9 h PRO 26 CO 0.00 0.35 0.16 1.12 -0.23 0.00 0.00 178.00 179.40 1wf9 h HIS 27 N 0.00 0.00 -2.97 1.56 2.07 -2.02 -3.40 115.15 110.39 1wf9 h HIS 27 Ca -0.00 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.04 1wf9 h HIS 27 Cb 1.02 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.02 1wf9 h HIS 27 CO 0.00 0.00 -0.09 0.96 -3.07 0.00 0.00 177.93 175.73 1wf9 s ILE 28 N -3.85 4.74 0.43 6.12 -5.25 -1.12 -5.08 121.20 117.19 1wf9 s ILE 28 Ca -0.03 -0.32 0.06 0.00 -0.99 0.00 0.00 60.65 59.37 1wf9 s ILE 28 Cb 0.08 -3.75 -0.05 0.00 2.95 0.00 0.00 42.46 41.69 1wf9 s ILE 28 CO 0.27 -0.56 0.11 0.42 -1.79 0.00 0.00 174.94 173.39 1wf9 s THR 29 N -2.49 2.02 0.36 8.37 -4.23 -1.26 -3.65 115.64 114.77 1wf9 s THR 29 Ca 0.44 -1.83 0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1wf9 s THR 29 Cb -0.10 -2.85 0.35 0.00 1.34 0.00 0.00 72.50 71.24 1wf9 s THR 29 CO 0.39 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.83 1wf9 h VAL 30 N 1.50 0.60 0.05 2.29 2.07 -0.31 0.19 116.25 122.65 1wf9 h VAL 30 Ca -0.43 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1wf9 h VAL 30 Cb 1.26 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1wf9 h VAL 30 CO 0.74 0.10 -0.27 0.77 0.02 0.00 0.00 177.57 178.93 1wf9 h SER 31 N 0.53 -0.78 0.25 0.57 4.64 -1.75 0.66 113.55 117.66 1wf9 h SER 31 Ca 0.58 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.93 1wf9 h SER 31 Cb 1.24 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1wf9 h SER 31 CO -0.32 -0.34 -0.28 1.56 -0.87 0.00 0.00 176.83 176.57 1wf9 h GLN 32 N -0.44 0.07 0.36 4.77 4.20 -1.20 -1.43 115.11 121.44 1wf9 h GLN 32 Ca 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1wf9 h GLN 32 Cb 0.50 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wf9 h GLN 32 CO -0.20 0.35 -0.17 1.25 -0.67 0.00 0.00 178.83 179.38 1wf9 h LEU 33 N 0.06 -0.41 0.29 1.46 6.46 0.58 -2.28 115.31 121.47 1wf9 h LEU 33 Ca 0.01 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1wf9 h LEU 33 Cb 0.53 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1wf9 h LEU 33 CO 0.04 -0.08 -0.25 0.11 -0.62 0.00 0.00 178.44 177.63 1wf9 h LYS 34 N -0.77 -0.51 -0.80 1.25 1.57 0.44 -2.04 116.57 115.71 1wf9 h LYS 34 Ca -0.05 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.02 1wf9 h LYS 34 Cb 0.51 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.79 1wf9 h LYS 34 CO 0.08 -0.34 0.12 2.41 -0.57 0.00 0.00 179.45 181.15 1wf9 n THR 35 N -3.87 -0.34 0.00 -0.16 -1.04 -0.55 0.24 114.28 108.56 1wf9 n THR 35 Ca -0.06 1.73 0.00 0.00 -2.04 0.00 0.00 64.05 63.68 1wf9 n THR 35 Cb 0.24 -2.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.15 1wf9 n THR 35 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wf9 n LEU 36 N -5.06 0.00 -0.29 -4.42 4.77 -0.85 -0.19 117.00 110.97 1wf9 n LEU 36 Ca 0.22 1.00 0.11 0.00 -0.03 0.00 0.00 56.01 57.31 1wf9 n LEU 36 Cb 0.72 -0.50 0.35 0.00 -2.33 0.00 0.00 43.42 41.67 1wf9 n LEU 36 CO -0.04 -0.50 1.22 0.40 -1.33 0.00 0.00 177.39 177.14 1wf9 h ILE 37 N 0.00 0.84 -0.39 -0.08 5.03 0.01 1.21 117.51 124.14 1wf9 h ILE 37 Ca 0.00 -0.26 0.06 0.00 -0.12 0.00 0.00 64.86 64.54 1wf9 h ILE 37 Cb 0.00 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 33.80 1wf9 h ILE 37 CO 0.00 0.14 0.26 -0.61 -0.68 0.00 0.00 178.15 177.26 1wf9 h GLN 38 N 0.75 0.26 0.00 2.37 -0.00 0.34 1.25 115.11 120.08 1wf9 h GLN 38 Ca 0.46 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.95 1wf9 h GLN 38 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.09 1wf9 h GLN 38 CO -0.22 0.17 -1.10 -3.47 0.00 0.00 0.00 178.83 174.21 1wf9 n ASP 39 N -4.47 1.86 0.14 -0.69 -0.08 0.14 0.12 116.55 113.56 1wf9 n ASP 39 Ca 0.05 0.49 -0.14 0.00 -1.51 0.00 0.00 54.79 53.68 1wf9 n ASP 39 Cb 0.26 -0.90 -0.06 0.00 2.34 0.00 0.00 41.12 42.77 1wf9 n ASP 39 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1wf9 h GLN 40 N -1.00 -0.53 0.00 -0.67 4.20 0.13 -1.22 115.11 116.02 1wf9 h GLN 40 Ca -0.23 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1wf9 h GLN 40 Cb 1.01 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1wf9 h GLN 40 CO -0.14 -0.35 0.00 1.28 -0.67 0.00 0.00 178.83 178.95 1wf9 n LEU 41 N -5.41 0.75 -3.02 1.46 4.77 0.43 -4.94 117.00 111.05 1wf9 n LEU 41 Ca -0.07 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1wf9 n LEU 41 Cb 0.32 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1wf9 n LEU 41 CO 0.25 -0.20 0.05 0.00 -1.33 0.00 0.00 177.39 176.17 1wf9 n GLN 42 N -2.21 -3.46 -4.35 3.23 1.13 -0.46 -4.62 117.38 106.64 1wf9 n GLN 42 Ca 0.05 0.73 -0.19 0.00 -1.94 0.00 0.00 57.00 55.66 1wf9 n GLN 42 Cb 0.41 -5.26 -0.14 0.00 0.11 0.00 0.00 30.24 25.36 1wf9 n GLN 42 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wf9 s ILE 43 N -3.32 0.84 -0.02 5.09 1.01 0.33 0.12 121.20 125.25 1wf9 s ILE 43 Ca 0.23 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 1wf9 s ILE 43 Cb -0.03 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1wf9 s ILE 43 CO 0.63 0.09 1.20 -2.16 0.00 0.00 0.00 174.94 174.70 1wf9 s PRO 44 N -0.64 4.38 0.14 2.79 0.04 -1.26 -3.96 135.00 136.49 1wf9 s PRO 44 Ca 0.02 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1wf9 s PRO 44 Cb -0.06 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1wf9 s PRO 44 CO 0.00 -0.39 1.58 0.82 0.04 0.00 0.00 177.00 179.05 1wf9 h ILE 45 N 4.87 0.13 -1.85 0.56 2.04 -1.92 1.04 117.51 122.38 1wf9 h ILE 45 Ca -0.36 0.00 0.54 0.00 1.00 0.00 0.00 64.86 66.03 1wf9 h ILE 45 Cb 1.18 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1wf9 h ILE 45 CO 0.86 0.00 1.37 0.00 0.00 0.00 0.00 178.15 180.38 1wf9 n HIS 46 N -5.43 0.00 -0.07 1.37 1.44 -1.26 0.19 115.22 111.47 1wf9 n HIS 46 Ca -0.03 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.47 1wf9 n HIS 46 Cb 0.36 -0.46 -0.13 0.00 0.12 0.00 0.00 29.99 29.88 1wf9 n HIS 46 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wf9 n ASN 47 N -3.81 2.02 -4.60 4.39 4.13 0.20 -4.94 115.26 112.66 1wf9 n ASN 47 Ca 0.42 0.15 -0.43 0.00 1.68 0.00 0.00 54.58 56.41 1wf9 n ASN 47 Cb 1.93 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 39.43 1wf9 n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf9 n GLN 48 N -3.66 1.35 -3.70 3.52 6.02 0.51 -3.91 117.38 117.51 1wf9 n GLN 48 Ca -0.39 0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 56.80 1wf9 n GLN 48 Cb 0.96 -1.95 -0.16 0.00 1.02 0.00 0.00 30.24 30.11 1wf9 n GLN 48 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wf9 s THR 49 N -1.20 0.52 -0.08 5.09 2.01 0.44 -4.87 115.64 117.55 1wf9 s THR 49 Ca 0.61 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 1wf9 s THR 49 Cb -0.61 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1wf9 s THR 49 CO 0.58 -0.44 0.59 -0.76 -0.69 0.00 0.00 174.62 173.91 1wf9 s LEU 50 N 1.83 4.32 -0.27 4.42 2.01 -1.26 -1.93 118.68 127.80 1wf9 s LEU 50 Ca 0.04 1.03 -0.25 0.00 0.01 0.00 0.00 54.13 54.96 1wf9 s LEU 50 Cb -0.17 -2.90 0.08 0.00 0.01 0.00 0.00 46.19 43.21 1wf9 s LEU 50 CO -0.18 -0.03 0.77 -0.55 1.01 0.00 0.00 176.35 177.37 1wf9 s SER 51 N 0.56 -0.70 -0.25 2.29 0.15 -1.09 -3.64 113.70 111.02 1wf9 s SER 51 Ca 0.32 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1wf9 s SER 51 Cb -0.17 1.36 0.24 0.00 -1.71 0.00 0.00 66.02 65.75 1wf9 s SER 51 CO 0.15 -0.23 1.75 0.35 1.20 0.00 0.00 173.24 176.45 1wf9 n THR 52 N 2.66 2.40 -4.38 6.45 -2.24 -1.26 -2.74 114.28 115.17 1wf9 n THR 52 Ca -0.14 -1.26 -0.21 0.00 -2.27 0.00 0.00 64.05 60.17 1wf9 n THR 52 Cb 0.55 -1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 67.54 1wf9 n THR 52 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wf9 s ASN 53 N 0.15 1.23 0.18 3.42 3.84 -1.26 -5.00 114.94 117.50 1wf9 s ASN 53 Ca 0.27 -0.19 0.24 0.00 0.21 0.00 0.00 52.86 53.39 1wf9 s ASN 53 Cb 0.22 -0.40 0.91 0.00 -0.55 0.00 0.00 41.25 41.43 1wf9 s ASN 53 CO 0.02 0.05 1.73 -2.11 -2.79 0.00 0.00 177.10 174.00 1wf9 n ARG 54 N 3.45 0.17 0.00 0.43 0.00 -1.26 -2.32 116.66 117.12 1wf9 n ARG 54 Ca -0.20 0.27 0.08 0.00 -0.00 0.00 0.00 57.85 58.01 1wf9 n ARG 54 Cb 0.53 -1.76 0.37 0.00 -0.00 0.00 0.00 32.46 31.61 1wf9 n ARG 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wf9 n ASN 55 N -2.06 0.00 -0.08 2.89 3.02 -1.26 -2.72 115.26 115.04 1wf9 n ASN 55 Ca 0.04 0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 54.91 1wf9 n ASN 55 Cb 0.31 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1wf9 n ASN 55 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wf9 h LEU 56 N 0.00 0.37 -2.28 3.41 5.85 -1.84 -0.82 115.31 120.00 1wf9 h LEU 56 Ca 0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1wf9 h LEU 56 Cb 0.26 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1wf9 h LEU 56 CO 0.00 0.42 0.24 -0.07 -0.34 0.00 0.00 178.44 178.69 1wf9 h LEU 57 N 0.30 0.00 0.01 2.25 4.07 -1.75 0.54 115.31 120.73 1wf9 h LEU 57 Ca 0.09 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.79 1wf9 h LEU 57 Cb 0.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.91 1wf9 h LEU 57 CO -0.01 0.00 -1.13 -0.07 -1.08 0.00 0.00 178.44 176.15 1wf9 h LEU 58 N 0.00 0.61 -9.27 1.67 3.38 -1.32 -3.45 115.31 106.94 1wf9 h LEU 58 Ca 0.02 -0.56 -0.63 0.00 0.09 0.00 0.00 57.88 56.80 1wf9 h LEU 58 Cb 0.50 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.08 1wf9 h LEU 58 CO -0.00 1.39 1.04 0.00 0.09 0.00 0.00 178.44 180.96 1wf9 n ALA 59 N -2.58 0.71 -0.04 1.53 0.00 0.19 -4.81 120.51 115.50 1wf9 n ALA 59 Ca -0.10 0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.61 1wf9 n ALA 59 Cb 0.94 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 1wf9 n ALA 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wf9 n LYS 60 N 6.19 2.24 -2.90 0.00 5.02 -1.26 -4.90 118.16 122.55 1wf9 n LYS 60 Ca 0.23 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.33 1wf9 n LYS 60 Cb 0.27 -1.19 0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wf9 s SER 61 N -4.14 5.13 0.22 4.39 0.01 -1.26 -5.02 113.70 113.04 1wf9 s SER 61 Ca -0.06 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 56.76 1wf9 s SER 61 Cb 0.02 -0.16 0.17 0.00 0.21 0.00 0.00 66.02 66.27 1wf9 s SER 61 CO 0.29 -1.26 1.50 1.55 0.41 0.00 0.00 173.24 175.74 1wf9 h PRO 62 N 0.16 0.00 -0.02 12.44 0.13 -1.99 -2.75 132.00 139.97 1wf9 h PRO 62 Ca -0.35 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.61 1wf9 h PRO 62 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wf9 h PRO 62 CO 0.43 0.74 -0.73 0.66 -0.23 0.00 0.00 178.00 178.86 1wf9 h SER 63 N 0.00 0.19 1.42 1.44 4.64 -1.98 0.03 113.55 119.29 1wf9 h SER 63 Ca -0.01 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1wf9 h SER 63 Cb 1.32 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1wf9 h SER 63 CO 0.10 0.86 -0.06 -0.78 -0.87 0.00 0.00 176.83 176.08 1wf9 h ASP 64 N 0.10 0.00 0.33 4.97 1.82 -1.94 -2.48 116.42 119.23 1wf9 h ASP 64 Ca -0.02 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.30 1wf9 h ASP 64 Cb 1.30 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.27 1wf9 h ASP 64 CO 0.11 0.06 -1.83 0.49 -1.61 0.00 0.00 179.24 176.45 1wf9 n PHE 65 N -3.14 1.12 0.19 0.28 3.72 -1.04 -3.94 117.46 114.64 1wf9 n PHE 65 Ca 0.02 0.32 0.04 0.00 -0.05 0.00 0.00 57.45 57.78 1wf9 n PHE 65 Cb 0.43 -1.18 0.38 0.00 -0.94 0.00 0.00 39.48 38.17 1wf9 n PHE 65 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 1wf9 h LEU 66 N 0.03 0.00 -2.55 4.37 8.10 -0.92 -1.97 115.31 122.37 1wf9 h LEU 66 Ca -0.35 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.65 1wf9 h LEU 66 Cb 2.02 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.24 1wf9 h LEU 66 CO 0.08 0.37 0.14 0.00 -4.11 0.00 0.00 178.44 174.92 1wf9 h ALA 67 N 1.63 1.22 -2.75 0.17 0.00 -1.57 -3.31 119.26 114.66 1wf9 h ALA 67 Ca -0.00 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1wf9 h ALA 67 Cb 0.72 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.21 1wf9 h ALA 67 CO 0.05 -0.15 -0.32 -0.06 0.00 0.00 0.00 179.25 178.77 1wf9 s PHE 68 N -4.20 3.47 -0.61 0.00 0.40 -0.74 -4.96 117.98 111.34 1wf9 s PHE 68 Ca -0.04 -2.03 0.06 0.00 -0.60 0.00 0.00 56.93 54.32 1wf9 s PHE 68 Cb 0.12 -3.50 0.27 0.00 0.51 0.00 0.00 43.02 40.42 1wf9 s PHE 68 CO 0.38 -0.97 0.76 0.25 0.70 0.00 0.00 175.22 176.35 1wf9 n THR 69 N 4.56 2.21 -0.12 0.64 -2.24 -1.25 -4.79 114.28 113.29 1wf9 n THR 69 Ca -0.03 -5.18 -0.19 0.00 -2.27 0.00 0.00 64.05 56.38 1wf9 n THR 69 Cb 0.41 -1.95 -0.12 0.00 -2.10 0.00 0.00 70.33 66.57 1wf9 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wf9 n ASP 70 N 0.70 1.99 -2.22 3.42 8.00 -1.26 -4.56 116.55 122.63 1wf9 n ASP 70 Ca 0.29 -0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.50 1wf9 n ASP 70 Cb 0.42 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1wf9 n MET 71 N -3.34 3.31 0.12 -1.24 2.81 -1.24 -4.74 117.12 112.80 1wf9 n MET 71 Ca -0.45 -4.14 -0.24 0.00 -1.81 0.00 0.00 57.70 51.06 1wf9 n MET 71 Cb 0.99 -2.17 -0.16 0.00 -0.71 0.00 0.00 33.22 31.17 1wf9 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wf9 h ALA 72 N 2.33 -0.11 -2.28 3.04 0.00 -1.82 -3.43 119.26 116.98 1wf9 h ALA 72 Ca 0.29 -0.86 -0.54 0.00 0.00 0.00 0.00 54.91 53.80 1wf9 h ALA 72 Cb 1.38 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.37 1wf9 h ALA 72 CO 0.71 0.66 1.19 0.34 0.00 0.00 0.00 179.25 182.15 1wf9 s ASP 73 N -7.43 6.46 0.36 0.00 2.15 -1.26 -4.84 116.67 112.11 1wf9 s ASP 73 Ca -0.11 2.41 0.27 0.00 0.43 0.00 0.00 52.55 55.55 1wf9 s ASP 73 Cb 0.03 -2.53 0.88 0.00 -0.30 0.00 0.00 42.92 41.01 1wf9 s ASP 73 CO 0.91 -1.08 1.77 1.55 -0.17 0.00 0.00 175.17 178.16 1wf9 h PRO 74 N 10.51 0.00 -0.43 4.34 0.13 -1.95 -2.43 132.00 142.17 1wf9 h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wf9 h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wf9 h PRO 74 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1wf9 n ASN 75 N -2.67 2.74 -4.82 1.44 3.02 -1.26 -2.67 115.26 111.04 1wf9 n ASN 75 Ca 0.03 -1.94 -0.38 0.00 -0.03 0.00 0.00 54.58 52.26 1wf9 n ASN 75 Cb 0.37 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1wf9 n ASN 75 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wf9 s LEU 76 N -1.21 4.48 0.23 3.41 2.96 -0.92 -4.93 118.68 122.72 1wf9 s LEU 76 Ca 0.36 1.20 -0.07 0.00 -0.22 0.00 0.00 54.13 55.39 1wf9 s LEU 76 Cb 0.19 -2.94 -0.06 0.00 0.50 0.00 0.00 46.19 43.88 1wf9 s LEU 76 CO 0.26 0.25 0.51 -0.13 -1.32 0.00 0.00 176.35 175.92 1wf9 s ARG 77 N -1.28 3.71 0.49 1.98 3.00 -1.26 0.26 118.95 125.84 1wf9 s ARG 77 Ca 0.30 0.11 0.33 0.00 0.00 0.00 0.00 55.73 56.47 1wf9 s ARG 77 Cb -0.18 -2.69 1.62 0.00 0.00 0.00 0.00 34.95 33.70 1wf9 s ARG 77 CO 0.18 0.32 1.99 -0.84 0.00 0.00 0.00 175.30 176.95 1wf9 h ILE 78 N 1.81 0.00 0.00 1.52 3.07 -1.78 -0.89 117.51 121.24 1wf9 h ILE 78 Ca -0.47 -0.17 -0.02 0.00 1.55 0.00 0.00 64.86 65.75 1wf9 h ILE 78 Cb 1.17 1.00 -0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1wf9 h ILE 78 CO 0.69 0.00 -0.09 0.77 -1.05 0.00 0.00 178.15 178.47 1wf9 h SER 79 N 0.00 0.00 -0.88 2.16 4.64 -1.87 0.62 113.55 118.22 1wf9 h SER 79 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1wf9 h SER 79 Cb 0.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 1wf9 h SER 79 CO 0.00 0.09 0.57 -1.28 -0.87 0.00 0.00 176.83 175.34 1wf9 h SER 80 N 0.00 0.56 0.00 4.97 0.87 -1.55 -0.39 113.55 118.01 1wf9 h SER 80 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1wf9 h SER 80 Cb 0.24 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1wf9 h SER 80 CO 0.01 0.27 -0.82 0.18 -0.53 0.00 0.00 176.83 175.94 1wf9 n LEU 81 N -4.55 0.56 -3.01 2.23 4.77 -0.74 -5.03 117.00 111.23 1wf9 n LEU 81 Ca 0.18 -0.42 -0.01 0.00 -0.03 0.00 0.00 56.01 55.73 1wf9 n LEU 81 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1wf9 n LEU 81 CO 0.30 0.14 0.33 0.59 -1.33 0.00 0.00 177.39 177.41 1wf9 n ASN 82 N -1.44 -7.54 -4.46 -1.43 4.13 0.13 -4.93 115.26 99.73 1wf9 n ASN 82 Ca 0.02 -0.09 -0.43 0.00 1.68 0.00 0.00 54.58 55.75 1wf9 n ASN 82 Cb 0.24 -5.15 -0.05 0.00 -1.54 0.00 0.00 39.78 33.29 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1wf9 s LEU 83 N -3.97 4.68 0.51 3.41 2.01 -1.16 -5.02 118.68 119.13 1wf9 s LEU 83 Ca 0.02 -0.83 0.07 0.00 0.01 0.00 0.00 54.13 53.40 1wf9 s LEU 83 Cb -0.00 -2.53 0.04 0.00 0.01 0.00 0.00 46.19 43.71 1wf9 s LEU 83 CO 0.72 -1.10 0.70 0.00 1.01 0.00 0.00 176.35 177.68 1wf9 s ALA 84 N 3.24 4.42 -0.11 4.21 0.00 -1.26 -4.95 121.76 127.30 1wf9 s ALA 84 Ca 0.20 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1wf9 s ALA 84 Cb -0.18 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 1wf9 s ALA 84 CO 0.13 -0.61 2.09 -1.58 0.00 0.00 0.00 175.76 175.80 1wf9 s HIS 85 N -2.56 1.24 0.00 0.00 2.46 -1.26 -0.48 115.29 114.69 1wf9 s HIS 85 Ca 0.58 0.10 0.00 0.00 0.47 0.00 0.00 55.06 56.21 1wf9 s HIS 85 Cb -0.09 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 1wf9 s HIS 85 CO 0.36 -4.70 0.00 0.41 -2.47 0.00 0.00 174.74 168.34 1wf9 n GLY 86 N 5.20 2.55 3.12 1.59 0.00 -1.23 -5.07 105.19 111.35 1wf9 n GLY 86 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1wf9 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf9 n SER 87 N 0.00 -3.02 -4.57 1.61 2.88 0.37 -4.74 113.62 106.15 1wf9 n SER 87 Ca 0.00 -0.01 -0.32 0.00 -1.33 0.00 0.00 58.87 57.21 1wf9 n SER 87 Cb 0.00 -0.72 -0.11 0.00 -0.75 0.00 0.00 64.21 62.63 1wf9 n SER 87 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1wf9 s MET 88 N -2.60 2.43 -0.01 -1.46 -2.45 -1.26 -3.43 119.30 110.52 1wf9 s MET 88 Ca 0.45 -0.80 -0.18 0.00 -1.25 0.00 0.00 55.69 53.91 1wf9 s MET 88 Cb -0.02 -2.43 0.03 0.00 1.25 0.00 0.00 34.83 33.67 1wf9 s MET 88 CO 0.68 0.58 0.38 0.08 1.05 0.00 0.00 175.02 177.79 1wf9 s VAL 89 N -1.01 0.05 -0.02 10.11 1.01 0.39 -4.95 120.40 125.97 1wf9 s VAL 89 Ca 0.17 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1wf9 s VAL 89 Cb -0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1wf9 s VAL 89 CO 0.08 -0.22 -0.21 -0.31 0.00 0.00 0.00 175.10 174.44 1wf9 s TYR 90 N -1.44 1.97 0.13 5.22 2.02 -1.11 0.19 117.35 124.33 1wf9 s TYR 90 Ca -0.12 -0.42 0.10 0.00 -0.37 0.00 0.00 57.07 56.25 1wf9 s TYR 90 Cb -0.04 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1wf9 s TYR 90 CO 0.04 -0.07 -0.23 -1.17 -1.57 0.00 0.00 175.55 172.55 1wf9 s LEU 91 N -0.39 2.34 -0.15 -1.29 2.96 0.51 -2.65 118.68 120.00 1wf9 s LEU 91 Ca 0.05 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 1wf9 s LEU 91 Cb -0.09 -1.03 0.05 0.00 0.50 0.00 0.00 46.19 45.62 1wf9 s LEU 91 CO 0.00 0.10 0.37 0.00 -1.32 0.00 0.00 176.35 175.50 1wf9 s ALA 92 N -1.31 -0.93 0.07 5.97 0.00 -0.81 -4.00 121.76 120.75 1wf9 s ALA 92 Ca 0.12 1.34 -0.05 0.00 0.00 0.00 0.00 51.96 53.37 1wf9 s ALA 92 Cb -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1wf9 s ALA 92 CO 0.06 -0.24 0.08 1.52 0.00 0.00 0.00 175.76 177.18 1wf9 s TYR 93 N 1.15 0.35 -0.13 0.00 -0.85 -1.25 0.17 117.35 116.78 1wf9 s TYR 93 Ca -0.08 -0.84 -0.09 0.00 -0.52 0.00 0.00 57.07 55.54 1wf9 s TYR 93 Cb -0.08 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 1wf9 s TYR 93 CO -0.09 -0.46 0.18 -2.00 -1.52 0.00 0.00 175.55 171.65 1wf9 s GLU 94 N -3.89 3.77 3.18 -3.49 2.12 -1.26 -4.90 118.70 114.23 1wf9 s GLU 94 Ca 0.06 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1wf9 s GLU 94 Cb 0.06 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1wf9 s GLU 94 CO -0.10 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1wf9 n GLY 95 N 2.52 0.90 1.72 -1.50 0.00 -1.26 -4.96 105.19 102.61 1wf9 n GLY 95 Ca -0.18 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1wf9 n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wf9 n GLU 96 N 5.82 0.25 -1.92 1.61 0.28 -1.26 -5.17 120.64 120.24 1wf9 n GLU 96 Ca 0.00 -1.71 -0.29 0.00 -0.16 0.00 0.00 57.16 55.00 1wf9 n GLU 96 Cb 0.00 1.45 0.07 0.00 1.43 0.00 0.00 31.44 34.38 1wf9 n GLU 96 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wf9 s ARG 97 N -2.66 2.44 0.00 3.44 0.52 -1.26 -4.86 118.95 116.58 1wf9 s ARG 97 Ca 0.20 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 1wf9 s ARG 97 Cb 0.01 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1wf9 s ARG 97 CO 0.14 -1.28 0.00 0.25 0.02 0.00 0.00 175.30 174.44 1wf9 n THR 98 N -3.12 0.00 -3.64 0.02 -2.24 0.33 -5.00 114.28 100.62 1wf9 n THR 98 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 1wf9 n THR 98 Cb 0.59 -1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 1wf9 n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wf9 s ILE 99 N 0.52 5.24 0.48 2.28 1.09 -1.26 -4.92 121.20 124.62 1wf9 s ILE 99 Ca 0.00 0.57 -0.24 0.00 -1.10 0.00 0.00 60.65 59.88 1wf9 s ILE 99 Cb 0.00 -3.59 -0.07 0.00 -1.06 0.00 0.00 42.46 37.74 1wf9 s ILE 99 CO 0.00 0.57 1.37 -0.13 -0.10 0.00 0.00 174.94 176.65 1wf9 s ARG 100 N -0.86 3.55 0.00 2.79 3.00 -1.26 -4.95 118.95 121.21 1wf9 s ARG 100 Ca 0.20 2.29 0.00 0.00 0.00 0.00 0.00 55.73 58.22 1wf9 s ARG 100 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 34.95 32.28 1wf9 s ARG 100 CO 0.09 -0.88 0.00 0.41 0.00 0.00 0.00 175.30 174.91 1wf9 n GLY 101 N 0.63 -1.33 2.07 -3.53 0.00 -1.26 -5.10 105.19 96.67 1wf9 n GLY 101 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1wf9 n GLY 101 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf9 n SER 102 N 0.82 -1.34 0.00 1.61 2.88 -1.26 -5.11 113.62 111.22 1wf9 n SER 102 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1wf9 n SER 102 Cb 0.00 1.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1wf9 n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf9 n GLY 103 N 0.51 1.93 3.80 0.46 0.00 -1.26 -5.13 105.19 105.50 1wf9 n GLY 103 Ca 0.00 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1wf9 n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf9 s PRO 104 N -1.80 3.80 0.43 1.61 0.04 -1.26 -5.05 135.00 132.78 1wf9 s PRO 104 Ca 0.00 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1wf9 s PRO 104 Cb 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1wf9 s PRO 104 CO 0.00 -0.43 0.71 0.45 0.04 0.00 0.00 177.00 177.77 1wf9 s SER 105 N -1.99 6.30 -0.09 6.66 0.15 -1.26 -5.09 113.70 118.38 1wf9 s SER 105 Ca 0.67 0.82 -0.02 0.00 0.70 0.00 0.00 55.95 58.12 1wf9 s SER 105 Cb -0.16 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1wf9 s SER 105 CO 0.20 -0.47 0.01 -0.94 1.20 0.00 0.00 173.24 173.24 1wf9 s SER 106 N -3.95 5.29 0.00 5.45 1.04 -1.26 -5.34 113.70 114.93 1wf9 s SER 106 Ca 0.46 0.15 0.25 0.00 0.48 0.00 0.00 55.95 57.28 1wf9 s SER 106 Cb -0.10 -1.53 0.34 0.00 0.10 0.00 0.00 66.02 64.84 1wf9 s SER 106 CO 0.41 0.37 1.35 0.61 0.98 0.00 0.00 173.24 176.95