#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 n SER 2 N 0.00 -1.38 -1.69 1.61 2.88 -1.26 -4.98 113.62 108.80 1wf9 n SER 2 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1wf9 n SER 2 Cb 0.00 1.56 0.00 0.00 -0.75 0.00 0.00 64.21 65.02 1wf9 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf9 n SER 3 N -3.01 -8.85 0.00 -3.46 7.64 -1.26 -4.90 113.62 99.78 1wf9 n SER 3 Ca 0.00 1.25 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1wf9 n SER 3 Cb 0.00 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 1wf9 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf9 n GLY 4 N 0.02 0.21 3.33 0.23 0.00 -1.26 -4.83 105.19 102.89 1wf9 n GLY 4 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1wf9 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf9 n SER 5 N -0.82 -2.24 -3.68 1.61 2.88 -1.26 -5.01 113.62 105.10 1wf9 n SER 5 Ca 0.00 -0.17 -0.29 0.00 -1.33 0.00 0.00 58.87 57.08 1wf9 n SER 5 Cb 0.00 -1.04 -0.15 0.00 -0.75 0.00 0.00 64.21 62.27 1wf9 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wf9 s SER 6 N -2.01 3.81 0.00 -3.46 0.15 -1.26 -5.00 113.70 105.94 1wf9 s SER 6 Ca 0.60 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1wf9 s SER 6 Cb -0.16 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1wf9 s SER 6 CO 0.66 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1wf9 n GLY 7 N 4.98 3.06 3.66 9.45 0.00 -1.26 -5.08 105.19 120.00 1wf9 n GLY 7 Ca -0.04 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 3.61 4.37 -0.16 2.61 2.01 -1.26 -5.00 115.64 121.82 1wf9 s THR 8 Ca 0.00 1.66 -0.00 0.00 0.31 0.00 0.00 61.69 63.66 1wf9 s THR 8 Cb 0.00 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 1wf9 s THR 8 CO 0.00 -0.13 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.34 1wf9 s MET 9 N 3.26 3.24 0.01 4.92 1.75 -1.26 -1.24 119.30 129.98 1wf9 s MET 9 Ca 0.52 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 1wf9 s MET 9 Cb -0.21 -2.65 -0.04 0.00 2.84 0.00 0.00 34.83 34.78 1wf9 s MET 9 CO 0.14 0.01 0.04 -0.51 -0.65 0.00 0.00 175.02 174.05 1wf9 s LEU 10 N 0.83 3.69 -0.50 4.11 2.01 -0.35 -3.17 118.68 125.29 1wf9 s LEU 10 Ca -0.05 0.04 -0.13 0.00 0.01 0.00 0.00 54.13 54.01 1wf9 s LEU 10 Cb -0.15 -2.16 0.12 0.00 0.01 0.00 0.00 46.19 44.00 1wf9 s LEU 10 CO -0.00 0.26 0.41 -0.13 1.01 0.00 0.00 176.35 177.91 1wf9 s ARG 11 N -1.74 2.78 0.34 1.70 0.52 -1.23 -2.39 118.95 118.93 1wf9 s ARG 11 Ca 0.22 -1.66 -0.06 0.00 -0.52 0.00 0.00 55.73 53.70 1wf9 s ARG 11 Cb -0.12 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.19 1wf9 s ARG 11 CO 0.13 -1.22 0.63 0.14 0.02 0.00 0.00 175.30 175.00 1wf9 s VAL 12 N 1.51 4.96 -0.14 3.52 -7.23 0.81 -1.17 120.40 122.65 1wf9 s VAL 12 Ca 0.04 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.42 1wf9 s VAL 12 Cb -0.27 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 32.93 1wf9 s VAL 12 CO 0.02 -0.42 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.60 1wf9 s ARG 13 N -3.75 2.65 0.35 4.82 6.06 0.53 0.05 118.95 129.65 1wf9 s ARG 13 Ca 0.46 -0.71 0.07 0.00 -2.50 0.00 0.00 55.73 53.05 1wf9 s ARG 13 Cb -0.10 -2.24 -0.07 0.00 0.06 0.00 0.00 34.95 32.60 1wf9 s ARG 13 CO 0.32 -0.11 -0.04 -1.54 -2.50 0.00 0.00 175.30 171.43 1wf9 s SER 14 N 1.09 3.40 0.20 -2.12 1.04 0.62 0.21 113.70 118.14 1wf9 s SER 14 Ca -0.02 -1.27 -0.10 0.00 0.48 0.00 0.00 55.95 55.04 1wf9 s SER 14 Cb -0.14 -0.29 0.21 0.00 0.10 0.00 0.00 66.02 65.90 1wf9 s SER 14 CO -0.06 -0.35 1.80 0.08 0.98 0.00 0.00 173.24 175.69 1wf9 h ARG 15 N 2.02 0.62 -0.26 4.02 0.11 -1.98 -0.06 114.38 118.85 1wf9 h ARG 15 Ca -0.42 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.59 1wf9 h ARG 15 Cb 1.24 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1wf9 h ARG 15 CO 0.73 0.41 0.00 -0.44 0.10 0.00 0.00 179.97 180.77 1wf9 h ASP 16 N 0.64 0.35 -0.95 0.08 5.19 -1.96 -3.48 116.42 116.30 1wf9 h ASP 16 Ca 0.28 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1wf9 h ASP 16 Cb 0.17 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1wf9 h ASP 16 CO -0.17 0.41 0.00 0.61 -3.12 0.00 0.00 179.24 176.97 1wf9 n GLY 17 N -1.04 -1.47 3.72 2.75 0.00 -0.04 -5.11 105.19 104.01 1wf9 n GLY 17 Ca 0.01 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 4.39 0.15 0.99 2.96 -1.26 -0.27 118.68 125.63 1wf9 s LEU 18 Ca 0.00 1.92 0.10 0.00 -0.22 0.00 0.00 54.13 55.93 1wf9 s LEU 18 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1wf9 s LEU 18 CO 0.00 -0.37 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.82 1wf9 s GLU 19 N 0.83 1.36 0.19 1.98 2.02 0.11 -4.91 118.70 120.28 1wf9 s GLU 19 Ca 0.55 -1.37 0.05 0.00 0.02 0.00 0.00 54.97 54.22 1wf9 s GLU 19 Cb -0.27 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1wf9 s GLU 19 CO 0.30 0.39 0.20 1.03 0.02 0.00 0.00 175.26 177.19 1wf9 s ARG 20 N -2.29 3.05 -0.07 1.61 1.81 -1.26 -0.13 118.95 121.67 1wf9 s ARG 20 Ca 0.15 -0.86 -0.26 0.00 -1.72 0.00 0.00 55.73 53.04 1wf9 s ARG 20 Cb -0.09 -2.71 0.06 0.00 -0.45 0.00 0.00 34.95 31.76 1wf9 s ARG 20 CO 0.07 0.46 0.59 0.08 -0.68 0.00 0.00 175.30 175.83 1wf9 s VAL 21 N -1.87 0.01 -0.17 3.52 1.01 -1.01 -4.93 120.40 116.97 1wf9 s VAL 21 Ca 0.32 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1wf9 s VAL 21 Cb -0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1wf9 s VAL 21 CO 0.25 -0.05 0.05 -0.55 0.00 0.00 0.00 175.10 174.80 1wf9 s SER 22 N -0.97 5.59 0.00 3.32 0.15 -1.26 -1.22 113.70 119.31 1wf9 s SER 22 Ca -0.10 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wf9 s SER 22 Cb -0.02 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1wf9 s SER 22 CO 0.07 0.19 0.00 1.33 1.20 0.00 0.00 173.24 176.04 1wf9 n VAL 23 N 3.40 0.00 -0.05 4.45 0.24 -0.37 -4.96 118.33 121.04 1wf9 n VAL 23 Ca -0.17 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.06 1wf9 n VAL 23 Cb 0.52 -0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.53 2.70 0.00 -1.34 8.00 -1.26 -4.23 116.55 119.89 1wf9 n ASP 24 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1wf9 n ASP 24 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1wf9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wf9 n GLY 25 N 2.89 -0.78 0.18 0.44 0.00 -1.26 -4.79 105.19 101.88 1wf9 n GLY 25 Ca -0.18 -1.17 0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 0.06 0.00 0.00 1.61 0.13 -1.97 -2.97 132.00 128.85 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 0.21 1.12 -0.23 0.00 0.00 178.00 179.45 1wf9 h HIS 27 N 0.00 0.00 -3.61 1.56 2.07 -2.01 -3.40 115.15 109.76 1wf9 h HIS 27 Ca -0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1wf9 h HIS 27 Cb 1.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.99 1wf9 h HIS 27 CO 0.00 0.00 0.06 0.96 -3.07 0.00 0.00 177.93 175.88 1wf9 s ILE 28 N -3.93 4.81 0.44 6.12 -5.25 -1.12 -5.07 121.20 117.20 1wf9 s ILE 28 Ca -0.03 0.58 0.07 0.00 -0.99 0.00 0.00 60.65 60.28 1wf9 s ILE 28 Cb 0.09 -3.70 -0.02 0.00 2.95 0.00 0.00 42.46 41.77 1wf9 s ILE 28 CO 0.27 -0.40 0.33 0.42 -1.79 0.00 0.00 174.94 173.77 1wf9 s THR 29 N -2.22 2.37 0.34 8.37 -4.23 -1.26 -3.80 115.64 115.21 1wf9 s THR 29 Ca 0.50 -1.47 0.10 0.00 -1.18 0.00 0.00 61.69 59.64 1wf9 s THR 29 Cb -0.10 -2.85 0.33 0.00 1.34 0.00 0.00 72.50 71.22 1wf9 s THR 29 CO 0.28 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.73 1wf9 h VAL 30 N 1.09 0.68 -0.52 2.29 2.07 -0.40 0.38 116.25 121.84 1wf9 h VAL 30 Ca -0.41 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1wf9 h VAL 30 Cb 1.27 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1wf9 h VAL 30 CO 0.61 0.12 0.19 0.77 0.02 0.00 0.00 177.57 179.28 1wf9 h SER 31 N 0.63 0.20 0.25 0.57 4.64 -1.75 0.67 113.55 118.77 1wf9 h SER 31 Ca 0.56 0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.75 1wf9 h SER 31 Cb 1.04 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1wf9 h SER 31 CO -0.32 0.14 -0.72 1.56 -0.87 0.00 0.00 176.83 176.62 1wf9 h GLN 32 N 0.37 0.40 0.25 4.77 4.20 -0.86 -2.81 115.11 121.44 1wf9 h GLN 32 Ca 0.25 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1wf9 h GLN 32 Cb 0.26 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wf9 h GLN 32 CO -0.25 0.97 -0.12 1.25 -0.67 0.00 0.00 178.83 180.01 1wf9 h LEU 33 N 0.28 -0.29 0.03 1.46 5.85 0.67 -2.14 115.31 121.17 1wf9 h LEU 33 Ca -0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wf9 h LEU 33 Cb 1.30 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1wf9 h LEU 33 CO 0.12 -0.09 -0.15 0.11 -0.34 0.00 0.00 178.44 178.09 1wf9 h LYS 34 N -0.47 -0.21 -0.82 1.25 1.57 0.29 -1.34 116.57 116.84 1wf9 h LYS 34 Ca -0.03 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.91 1wf9 h LYS 34 Cb 0.35 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 32.56 1wf9 h LYS 34 CO 0.06 -0.14 -0.25 2.41 -0.57 0.00 0.00 179.45 180.96 1wf9 n THR 35 N -3.33 -0.38 0.00 -0.16 -1.04 -1.06 0.26 114.28 108.57 1wf9 n THR 35 Ca -0.02 1.90 0.00 0.00 -2.04 0.00 0.00 64.05 63.89 1wf9 n THR 35 Cb 0.12 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 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 -5.29 0.00 -0.25 -4.42 4.77 -0.76 0.18 117.00 111.23 1wf9 n LEU 36 Ca 0.11 0.96 0.15 0.00 -0.03 0.00 0.00 56.01 57.20 1wf9 n LEU 36 Cb 0.38 -0.46 0.44 0.00 -2.33 0.00 0.00 43.42 41.46 1wf9 n LEU 36 CO -0.10 -0.46 1.22 0.40 -1.33 0.00 0.00 177.39 177.12 1wf9 h ILE 37 N 0.00 0.76 0.00 -0.08 2.04 0.17 1.19 117.51 121.59 1wf9 h ILE 37 Ca 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1wf9 h ILE 37 Cb 0.00 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1wf9 h ILE 37 CO 0.00 0.10 -0.08 -0.61 0.00 0.00 0.00 178.15 177.56 1wf9 h GLN 38 N 0.55 0.00 0.00 2.37 -0.00 0.47 0.81 115.11 119.30 1wf9 h GLN 38 Ca 0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.80 1wf9 h GLN 38 Cb 0.91 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.34 1wf9 h GLN 38 CO -0.19 0.08 -1.68 -3.47 0.00 0.00 0.00 178.83 173.57 1wf9 n ASP 39 N -3.33 1.89 0.31 -0.69 -0.08 0.48 -1.67 116.55 113.46 1wf9 n ASP 39 Ca -0.01 0.40 -0.13 0.00 -1.51 0.00 0.00 54.79 53.54 1wf9 n ASP 39 Cb 0.27 -0.91 -0.06 0.00 2.34 0.00 0.00 41.12 42.75 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 -0.80 0.00 -0.67 4.20 0.74 -3.00 115.11 114.58 1wf9 h GLN 40 Ca -0.46 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1wf9 h GLN 40 Cb 1.39 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1wf9 h GLN 40 CO -0.28 -0.52 0.00 1.28 -0.67 0.00 0.00 178.83 178.64 1wf9 n LEU 41 N -5.33 0.34 -3.59 1.46 4.77 0.28 -4.88 117.00 110.04 1wf9 n LEU 41 Ca -0.11 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 1wf9 n LEU 41 Cb 0.34 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1wf9 n LEU 41 CO 0.26 -0.32 0.13 0.00 -1.33 0.00 0.00 177.39 176.13 1wf9 n GLN 42 N -1.86 -6.67 -4.91 3.23 1.13 -0.98 -4.67 117.38 102.66 1wf9 n GLN 42 Ca 0.04 0.77 -0.32 0.00 -1.94 0.00 0.00 57.00 55.55 1wf9 n GLN 42 Cb 0.24 -5.71 -0.14 0.00 0.11 0.00 0.00 30.24 24.74 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 -3.39 2.73 0.12 5.09 1.01 -0.67 -2.03 121.20 124.05 1wf9 s ILE 43 Ca 0.28 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1wf9 s ILE 43 Cb -0.13 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.20 1wf9 s ILE 43 CO 0.76 0.50 1.14 -2.16 0.00 0.00 0.00 174.94 175.18 1wf9 s PRO 44 N -0.95 4.51 0.17 2.79 0.04 -1.26 -3.88 135.00 136.42 1wf9 s PRO 44 Ca 0.12 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1wf9 s PRO 44 Cb -0.10 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.19 1wf9 s PRO 44 CO 0.02 -0.09 1.61 0.82 0.04 0.00 0.00 177.00 179.40 1wf9 h ILE 45 N 4.11 0.29 -0.55 0.56 2.04 -1.92 1.96 117.51 124.01 1wf9 h ILE 45 Ca -0.43 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.59 1wf9 h ILE 45 Cb 1.21 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1wf9 h ILE 45 CO 0.76 0.00 0.77 1.12 0.00 0.00 0.00 178.15 180.81 1wf9 h HIS 46 N -0.22 0.00 0.01 1.37 2.07 -2.01 0.18 115.15 116.54 1wf9 h HIS 46 Ca 0.18 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 57.28 1wf9 h HIS 46 Cb 0.51 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.42 1wf9 h HIS 46 CO -0.49 0.00 -2.35 0.09 -3.07 0.00 0.00 177.93 172.10 1wf9 n ASN 47 N -3.31 1.96 -4.63 3.10 4.13 0.34 -4.96 115.26 111.90 1wf9 n ASN 47 Ca 0.11 0.22 -0.44 0.00 1.68 0.00 0.00 54.58 56.15 1wf9 n ASN 47 Cb 0.97 -0.74 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 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 -3.97 1.65 -3.72 3.52 6.02 0.58 -3.84 117.38 117.62 1wf9 n GLN 48 Ca -0.49 0.58 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 1wf9 n GLN 48 Cb 0.90 -2.03 -0.17 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.05 0.45 -0.08 5.09 2.01 0.21 -4.84 115.64 117.43 1wf9 s THR 49 Ca 0.58 -0.52 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 1wf9 s THR 49 Cb -0.65 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1wf9 s THR 49 CO 0.61 -0.22 0.54 -0.76 -0.69 0.00 0.00 174.62 174.10 1wf9 s LEU 50 N 1.89 4.32 -0.28 4.42 2.01 -1.26 -1.43 118.68 128.34 1wf9 s LEU 50 Ca -0.01 0.96 -0.15 0.00 0.01 0.00 0.00 54.13 54.94 1wf9 s LEU 50 Cb -0.17 -2.81 0.10 0.00 0.01 0.00 0.00 46.19 43.32 1wf9 s LEU 50 CO -0.08 0.01 0.76 -0.55 1.01 0.00 0.00 176.35 177.49 1wf9 s SER 51 N 0.45 -0.86 -0.37 2.29 0.15 -1.18 -3.76 113.70 110.42 1wf9 s SER 51 Ca 0.29 1.35 -0.03 0.00 0.70 0.00 0.00 55.95 58.26 1wf9 s SER 51 Cb -0.16 1.44 0.12 0.00 -1.71 0.00 0.00 66.02 65.71 1wf9 s SER 51 CO 0.13 -0.21 2.46 0.35 1.20 0.00 0.00 173.24 177.18 1wf9 n THR 52 N 4.31 3.05 -3.67 6.45 -2.24 -1.26 -2.87 114.28 118.04 1wf9 n THR 52 Ca -0.19 -2.28 -0.10 0.00 -2.27 0.00 0.00 64.05 59.21 1wf9 n THR 52 Cb 0.58 -1.49 -0.11 0.00 -2.10 0.00 0.00 70.33 67.20 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 0.36 -0.20 0.62 3.42 2.47 -1.26 -5.01 114.94 115.34 1wf9 s ASN 53 Ca 0.46 0.86 0.30 0.00 0.42 0.00 0.00 52.86 54.90 1wf9 s ASN 53 Cb 0.31 1.02 1.61 0.00 -1.45 0.00 0.00 41.25 42.75 1wf9 s ASN 53 CO -0.11 -0.22 1.97 0.08 -3.72 0.00 0.00 177.10 175.10 1wf9 h ARG 54 N 7.87 0.00 -0.54 0.43 -0.00 -1.99 0.22 114.38 120.37 1wf9 h ARG 54 Ca -0.22 0.00 0.16 0.00 -0.00 0.00 0.00 59.98 59.91 1wf9 h ARG 54 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.08 1wf9 h ARG 54 CO 0.18 0.00 0.47 -0.91 -0.00 0.00 0.00 179.97 179.72 1wf9 h ASN 55 N 0.00 0.00 -0.79 0.08 2.35 -1.96 0.18 115.58 115.45 1wf9 h ASN 55 Ca 0.09 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.99 1wf9 h ASN 55 Cb 0.78 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.06 1wf9 h ASN 55 CO -0.00 0.00 0.34 0.25 -1.65 0.00 0.00 177.43 176.37 1wf9 h LEU 56 N 0.00 0.35 -1.57 1.61 6.46 -0.92 1.07 115.31 122.30 1wf9 h LEU 56 Ca 0.26 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 58.09 1wf9 h LEU 56 Cb 1.20 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1wf9 h LEU 56 CO -0.00 0.13 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.73 1wf9 h LEU 57 N 0.49 0.00 -0.92 2.25 3.38 -0.84 -1.93 115.31 117.74 1wf9 h LEU 57 Ca 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 1wf9 h LEU 57 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1wf9 h LEU 57 CO -0.40 0.15 -0.38 0.17 0.09 0.00 0.00 178.44 178.07 1wf9 h LEU 58 N 0.00 0.33 -9.46 1.67 8.10 0.12 -3.43 115.31 112.64 1wf9 h LEU 58 Ca -0.00 -0.13 -0.55 0.00 0.11 0.00 0.00 57.88 57.30 1wf9 h LEU 58 Cb 0.52 -0.09 0.04 0.00 -0.44 0.00 0.00 40.66 40.68 1wf9 h LEU 58 CO 0.02 0.68 1.06 0.00 -4.11 0.00 0.00 178.44 176.09 1wf9 n ALA 59 N -2.48 1.77 -0.03 0.17 0.00 -0.64 -4.84 120.51 114.46 1wf9 n ALA 59 Ca -0.01 0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 1wf9 n ALA 59 Cb 0.47 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 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 5.57 2.48 -3.55 0.00 4.76 -1.26 -4.96 118.16 121.20 1wf9 n LYS 60 Ca 0.19 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 1wf9 n LYS 60 Cb 0.35 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.33 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wf9 s SER 61 N -3.85 6.15 0.32 4.39 0.01 -1.26 -5.01 113.70 114.45 1wf9 s SER 61 Ca -0.04 0.12 0.16 0.00 1.31 0.00 0.00 55.95 57.51 1wf9 s SER 61 Cb 0.03 -1.68 0.42 0.00 0.21 0.00 0.00 66.02 65.00 1wf9 s SER 61 CO 0.32 -0.31 1.61 1.55 0.41 0.00 0.00 173.24 176.82 1wf9 h PRO 62 N 0.88 0.00 0.00 12.44 0.13 -2.00 -2.94 132.00 140.50 1wf9 h PRO 62 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1wf9 h PRO 62 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1wf9 h PRO 62 CO 0.58 0.47 -0.53 0.77 -0.23 0.00 0.00 178.00 179.06 1wf9 h SER 63 N 0.00 0.00 -0.17 1.44 0.02 -2.01 -3.15 113.55 109.69 1wf9 h SER 63 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1wf9 h SER 63 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1wf9 h SER 63 CO 0.06 0.53 -0.23 -0.78 -1.14 0.00 0.00 176.83 175.27 1wf9 h ASP 64 N 0.00 0.49 0.00 3.07 3.58 -1.93 -2.75 116.42 118.89 1wf9 h ASP 64 Ca -0.01 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1wf9 h ASP 64 Cb 1.13 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1wf9 h ASP 64 CO 0.07 0.91 0.27 -0.26 -2.88 0.00 0.00 179.24 177.35 1wf9 h PHE 65 N 0.09 0.00 0.00 0.28 0.04 -1.49 1.49 116.94 117.36 1wf9 h PHE 65 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1wf9 h PHE 65 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1wf9 h PHE 65 CO 0.09 0.00 -0.06 1.28 -0.60 0.00 0.00 178.31 179.02 1wf9 n LEU 66 N -2.68 0.70 0.10 1.54 4.77 -1.04 -3.07 117.00 117.32 1wf9 n LEU 66 Ca -0.02 0.53 -0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1wf9 n LEU 66 Cb 0.31 -0.33 0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1wf9 n LEU 66 CO 0.12 -0.14 0.47 0.00 -1.33 0.00 0.00 177.39 176.51 1wf9 h ALA 67 N 2.59 0.87 -1.96 -1.18 0.00 0.20 -3.38 119.26 116.40 1wf9 h ALA 67 Ca 0.00 -0.55 -0.69 0.00 0.00 0.00 0.00 54.91 53.66 1wf9 h ALA 67 Cb 0.71 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.22 1wf9 h ALA 67 CO 0.00 0.75 0.49 -0.06 0.00 0.00 0.00 179.25 180.43 1wf9 s PHE 68 N -3.70 3.06 -0.23 0.00 0.08 -1.18 -4.81 117.98 111.20 1wf9 s PHE 68 Ca -0.03 -1.15 0.10 0.00 0.12 0.00 0.00 56.93 55.97 1wf9 s PHE 68 Cb 0.12 -4.16 0.43 0.00 -0.57 0.00 0.00 43.02 38.84 1wf9 s PHE 68 CO 0.79 -1.42 1.23 0.25 -0.10 0.00 0.00 175.22 175.97 1wf9 n THR 69 N 5.44 2.27 0.36 0.64 -2.24 -1.26 -4.64 114.28 114.85 1wf9 n THR 69 Ca 0.07 -3.36 0.14 0.00 -2.27 0.00 0.00 64.05 58.63 1wf9 n THR 69 Cb 0.46 -0.37 0.40 0.00 -2.10 0.00 0.00 70.33 68.72 1wf9 n THR 69 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wf9 h ASP 70 N 1.16 0.00 -0.61 3.42 3.32 -1.87 -3.30 116.42 118.54 1wf9 h ASP 70 Ca 0.06 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.83 1wf9 h ASP 70 Cb 1.10 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.29 1wf9 h ASP 70 CO 0.12 0.00 -1.04 0.23 -1.72 0.00 0.00 179.24 176.84 1wf9 n MET 71 N -2.78 1.42 -0.02 3.56 2.81 -1.25 -4.84 117.12 116.02 1wf9 n MET 71 Ca 0.03 -3.11 0.03 0.00 -1.81 0.00 0.00 57.70 52.84 1wf9 n MET 71 Cb 0.41 -1.20 -0.14 0.00 -0.71 0.00 0.00 33.22 31.58 1wf9 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wf9 n ALA 72 N -0.44 2.27 -2.61 3.04 0.00 -1.24 -4.40 120.51 117.12 1wf9 n ALA 72 Ca 0.05 -0.75 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1wf9 n ALA 72 Cb 0.82 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 1wf9 n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wf9 s ASP 73 N -5.05 7.16 0.46 0.00 2.15 -1.26 -4.91 116.67 115.22 1wf9 s ASP 73 Ca -0.07 1.60 0.26 0.00 0.43 0.00 0.00 52.55 54.77 1wf9 s ASP 73 Cb 0.11 -2.55 0.77 0.00 -0.30 0.00 0.00 42.92 40.94 1wf9 s ASP 73 CO 0.86 -0.52 1.76 1.55 -0.17 0.00 0.00 175.17 178.65 1wf9 h PRO 74 N 7.28 0.00 -0.03 4.34 0.13 -1.93 -2.50 132.00 139.30 1wf9 h PRO 74 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wf9 h PRO 74 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wf9 h PRO 74 CO 0.88 0.11 0.00 0.09 -0.23 0.00 0.00 178.00 178.85 1wf9 n ASN 75 N -3.17 1.34 -4.83 1.44 3.02 -1.26 -2.65 115.26 109.15 1wf9 n ASN 75 Ca 0.02 -1.47 -0.35 0.00 -0.03 0.00 0.00 54.58 52.75 1wf9 n ASN 75 Cb 0.46 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.95 4.30 0.06 3.41 2.96 -0.94 -4.92 118.68 121.60 1wf9 s LEU 76 Ca 0.38 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1wf9 s LEU 76 Cb 0.21 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1wf9 s LEU 76 CO 0.33 0.01 0.10 -0.13 -1.32 0.00 0.00 176.35 175.34 1wf9 s ARG 77 N -2.13 3.00 0.00 1.98 0.52 -1.26 0.12 118.95 121.18 1wf9 s ARG 77 Ca 0.43 -0.61 0.12 0.00 -0.52 0.00 0.00 55.73 55.15 1wf9 s ARG 77 Cb -0.15 -2.80 0.50 0.00 0.52 0.00 0.00 34.95 33.02 1wf9 s ARG 77 CO 0.20 0.59 1.37 0.44 0.02 0.00 0.00 175.30 177.92 1wf9 n ILE 78 N 0.57 1.18 0.30 1.52 -5.35 -1.25 -1.76 119.36 114.57 1wf9 n ILE 78 Ca -0.09 0.30 0.19 0.00 -0.27 0.00 0.00 62.75 62.88 1wf9 n ILE 78 Cb 0.52 -1.10 0.86 0.00 -1.74 0.00 0.00 39.64 38.18 1wf9 n ILE 78 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1wf9 h SER 79 N 0.00 0.00 0.98 7.28 4.64 -1.86 0.03 113.55 124.62 1wf9 h SER 79 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1wf9 h SER 79 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1wf9 h SER 79 CO 0.00 0.00 -0.18 -1.28 -0.87 0.00 0.00 176.83 174.50 1wf9 h SER 80 N 0.00 0.00 -0.00 4.97 0.87 -1.75 -2.74 113.55 114.90 1wf9 h SER 80 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wf9 h SER 80 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1wf9 h SER 80 CO 0.00 0.18 -0.63 0.18 -0.53 0.00 0.00 176.83 176.03 1wf9 n LEU 81 N -3.33 0.65 -2.96 2.23 7.99 -0.43 -5.02 117.00 116.13 1wf9 n LEU 81 Ca 0.00 -0.50 -0.08 0.00 -0.01 0.00 0.00 56.01 55.42 1wf9 n LEU 81 Cb 0.41 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.76 1wf9 n LEU 81 CO 0.32 0.16 0.13 0.59 -1.51 0.00 0.00 177.39 177.09 1wf9 n ASN 82 N -1.30 -6.44 -4.55 -1.43 4.13 -0.13 -4.97 115.26 100.56 1wf9 n ASN 82 Ca 0.03 -0.40 -0.40 0.00 1.68 0.00 0.00 54.58 55.48 1wf9 n ASN 82 Cb 0.21 -4.67 -0.10 0.00 -1.54 0.00 0.00 39.78 33.69 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 -4.57 4.37 0.41 3.41 1.43 -1.10 -4.98 118.68 117.65 1wf9 s LEU 83 Ca 0.25 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1wf9 s LEU 83 Cb -0.03 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1wf9 s LEU 83 CO 0.65 -0.27 0.06 0.00 0.23 0.00 0.00 176.35 177.02 1wf9 s ALA 84 N 1.94 3.07 -0.40 4.21 0.00 -1.26 -4.81 121.76 124.51 1wf9 s ALA 84 Ca 0.10 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 1wf9 s ALA 84 Cb -0.17 0.48 -0.06 0.00 0.00 0.00 0.00 23.12 23.38 1wf9 s ALA 84 CO 0.11 -0.23 2.29 -1.58 0.00 0.00 0.00 175.76 176.35 1wf9 s HIS 85 N -3.09 1.16 0.00 0.00 2.46 -1.26 -0.50 115.29 114.06 1wf9 s HIS 85 Ca 0.25 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.91 1wf9 s HIS 85 Cb 0.05 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 1wf9 s HIS 85 CO 0.13 -3.07 0.00 0.41 -2.47 0.00 0.00 174.74 169.73 1wf9 n GLY 86 N 5.88 1.21 3.39 1.59 0.00 -1.19 -4.98 105.19 111.09 1wf9 n GLY 86 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.93 -4.65 1.61 2.88 0.35 -4.80 113.62 107.07 1wf9 n SER 87 Ca 0.00 -0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 1wf9 n SER 87 Cb 0.00 -1.14 -0.09 0.00 -0.75 0.00 0.00 64.21 62.23 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 -3.93 2.69 0.06 -1.46 -2.45 -1.26 -3.50 119.30 109.45 1wf9 s MET 88 Ca 0.62 -0.66 -0.11 0.00 -1.25 0.00 0.00 55.69 54.29 1wf9 s MET 88 Cb -0.19 -2.61 0.01 0.00 1.25 0.00 0.00 34.83 33.29 1wf9 s MET 88 CO 0.65 0.61 0.25 0.08 1.05 0.00 0.00 175.02 177.67 1wf9 s VAL 89 N -1.07 0.11 -0.03 10.11 1.01 -0.32 -4.94 120.40 125.27 1wf9 s VAL 89 Ca 0.19 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1wf9 s VAL 89 Cb -0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1wf9 s VAL 89 CO 0.10 -0.48 -0.18 -0.31 0.00 0.00 0.00 175.10 174.22 1wf9 s TYR 90 N -3.08 1.73 -0.15 5.22 2.02 -1.14 0.20 117.35 122.15 1wf9 s TYR 90 Ca -0.01 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1wf9 s TYR 90 Cb 0.01 -1.14 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1wf9 s TYR 90 CO -0.07 -0.09 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.44 1wf9 s LEU 91 N -0.24 2.15 -0.19 -1.29 2.96 0.56 -3.10 118.68 119.53 1wf9 s LEU 91 Ca 0.02 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1wf9 s LEU 91 Cb -0.09 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1wf9 s LEU 91 CO 0.01 0.07 -0.18 0.00 -1.32 0.00 0.00 176.35 174.92 1wf9 s ALA 92 N 0.88 2.38 0.04 5.97 0.00 -0.52 -4.30 121.76 126.22 1wf9 s ALA 92 Ca -0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 1wf9 s ALA 92 Cb -0.15 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1wf9 s ALA 92 CO -0.03 -0.39 -0.03 1.52 0.00 0.00 0.00 175.76 176.83 1wf9 s TYR 93 N 1.30 0.47 -0.05 0.00 -0.85 -1.25 0.64 117.35 117.61 1wf9 s TYR 93 Ca 0.05 -0.97 -0.06 0.00 -0.52 0.00 0.00 57.07 55.56 1wf9 s TYR 93 Cb -0.13 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 1wf9 s TYR 93 CO -0.12 -0.35 0.20 -1.83 -1.52 0.00 0.00 175.55 171.93 1wf9 s GLU 94 N -3.48 3.50 0.50 -3.49 -1.05 -1.26 -4.96 118.70 108.46 1wf9 s GLU 94 Ca 0.03 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.71 1wf9 s GLU 94 Cb 0.05 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1wf9 s GLU 94 CO -0.08 0.72 0.00 0.41 0.95 0.00 0.00 175.26 177.25 1wf9 n GLY 95 N 1.50 -3.28 3.30 -3.83 0.00 -1.26 -4.91 105.19 96.71 1wf9 n GLY 95 Ca -0.15 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1wf9 n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wf9 s GLU 96 N -4.10 -3.01 0.61 1.61 -1.05 -1.26 -4.99 118.70 106.50 1wf9 s GLU 96 Ca 0.00 0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 54.82 1wf9 s GLU 96 Cb 0.00 -1.37 -0.04 0.00 -0.44 0.00 0.00 34.13 32.28 1wf9 s GLU 96 CO 0.00 -4.92 1.03 1.03 0.95 0.00 0.00 175.26 173.34 1wf9 s ARG 97 N -5.10 3.59 0.00 -4.83 0.52 -1.26 -5.02 118.95 106.86 1wf9 s ARG 97 Ca 0.69 0.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 1wf9 s ARG 97 Cb -0.13 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1wf9 s ARG 97 CO 0.58 -0.57 0.00 0.25 0.02 0.00 0.00 175.30 175.57 1wf9 n THR 98 N -2.62 0.00 -3.43 0.02 -2.24 -0.86 -5.01 114.28 100.14 1wf9 n THR 98 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1wf9 n THR 98 Cb 0.54 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.56 4.93 0.34 2.28 1.01 -1.26 -5.02 121.20 122.92 1wf9 s ILE 99 Ca 0.00 0.93 -0.28 0.00 0.00 0.00 0.00 60.65 61.30 1wf9 s ILE 99 Cb 0.00 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.61 1wf9 s ILE 99 CO 0.00 0.54 1.25 -0.13 0.00 0.00 0.00 174.94 176.60 1wf9 s ARG 100 N -1.18 4.32 0.00 2.79 0.52 -1.26 -5.00 118.95 119.14 1wf9 s ARG 100 Ca 0.27 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 1wf9 s ARG 100 Cb -0.17 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1wf9 s ARG 100 CO 0.16 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1wf9 n GLY 101 N 0.83 1.59 3.06 -3.53 0.00 -1.26 -5.18 105.19 100.69 1wf9 n GLY 101 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 1wf9 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 s SER 102 N 0.00 0.36 -0.44 1.61 0.01 -1.26 -5.13 113.70 108.85 1wf9 s SER 102 Ca 0.00 -0.76 -0.10 0.00 1.31 0.00 0.00 55.95 56.40 1wf9 s SER 102 Cb 0.00 0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.49 1wf9 s SER 102 CO 0.00 -0.48 0.29 -0.83 0.41 0.00 0.00 173.24 172.63 1wf9 s GLY 103 N -2.30 1.99 1.04 3.44 0.00 -1.26 -5.08 107.32 105.15 1wf9 s GLY 103 Ca -0.03 -2.21 -0.16 0.00 0.00 0.00 0.00 44.72 42.32 1wf9 s GLY 103 CO -0.06 1.01 1.20 2.56 0.00 0.00 0.00 173.10 177.80 1wf9 s PRO 104 N 1.45 0.08 -0.02 2.90 0.04 -1.26 -4.86 135.00 133.33 1wf9 s PRO 104 Ca 0.04 -0.11 -0.01 0.00 0.04 0.00 0.00 61.00 60.95 1wf9 s PRO 104 Cb -0.24 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1wf9 s PRO 104 CO 0.02 -2.84 0.03 0.45 0.04 0.00 0.00 177.00 174.70 1wf9 n SER 105 N -4.13 -3.65 -4.47 6.66 2.88 -1.26 -4.96 113.62 104.69 1wf9 n SER 105 Ca 0.12 0.61 -0.43 0.00 -1.33 0.00 0.00 58.87 57.84 1wf9 n SER 105 Cb 0.59 -2.53 -0.09 0.00 -0.75 0.00 0.00 64.21 61.43 1wf9 n SER 105 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wf9 s SER 106 N -0.22 6.15 0.00 -3.46 0.15 -1.26 -5.30 113.70 109.75 1wf9 s SER 106 Ca -0.03 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1wf9 s SER 106 Cb 0.00 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1wf9 s SER 106 CO 0.09 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.62