#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 -1.60 -3.61 1.61 7.64 -1.26 -5.17 113.62 111.23 1wf9 n SER 2 Ca 0.00 0.57 -0.03 0.00 1.01 0.00 0.00 58.87 60.42 1wf9 n SER 2 Cb 0.00 1.64 -0.01 0.00 -1.01 0.00 0.00 64.21 64.83 1wf9 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf9 s SER 3 N -3.76 -0.13 0.00 6.43 1.04 -1.26 -5.15 113.70 110.87 1wf9 s SER 3 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1wf9 s SER 3 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1wf9 s SER 3 CO 0.00 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1wf9 n GLY 4 N -0.28 -0.10 3.88 7.32 0.00 -1.26 -5.15 105.19 109.60 1wf9 n GLY 4 Ca -0.04 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1wf9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 s SER 5 N 2.00 6.39 -0.05 1.61 0.01 -1.26 -5.09 113.70 117.31 1wf9 s SER 5 Ca 0.00 1.12 0.04 0.00 1.31 0.00 0.00 55.95 58.43 1wf9 s SER 5 Cb 0.00 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 1wf9 s SER 5 CO 0.00 -0.54 -0.19 -0.55 0.41 0.00 0.00 173.24 172.37 1wf9 s SER 6 N -3.65 2.38 0.00 2.44 0.15 -1.26 -4.87 113.70 108.89 1wf9 s SER 6 Ca 0.51 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1wf9 s SER 6 Cb -0.10 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1wf9 s SER 6 CO 0.40 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.60 1wf9 n GLY 7 N 3.22 -1.28 2.95 9.45 0.00 -1.23 -4.75 105.19 113.55 1wf9 n GLY 7 Ca -0.19 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 0.89 -0.12 2.61 2.01 0.52 -4.96 115.64 116.58 1wf9 s THR 8 Ca 0.00 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 1wf9 s THR 8 Cb 0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1wf9 s THR 8 CO 0.00 0.31 0.20 -0.32 -0.69 0.00 0.00 174.62 174.12 1wf9 s MET 9 N 0.95 3.76 0.26 4.92 1.75 -1.26 0.81 119.30 130.48 1wf9 s MET 9 Ca -0.10 -0.04 0.12 0.00 -1.25 0.00 0.00 55.69 54.42 1wf9 s MET 9 Cb -0.15 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 34.21 1wf9 s MET 9 CO 0.00 0.61 -0.19 -0.51 -0.65 0.00 0.00 175.02 174.29 1wf9 s LEU 10 N -0.58 2.63 -0.37 4.11 1.43 0.07 -3.05 118.68 122.92 1wf9 s LEU 10 Ca 0.15 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1wf9 s LEU 10 Cb -0.13 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 44.98 1wf9 s LEU 10 CO 0.04 0.05 0.14 -0.13 0.23 0.00 0.00 176.35 176.69 1wf9 s ARG 11 N -3.33 2.32 0.29 1.70 0.52 -1.19 -1.70 118.95 117.56 1wf9 s ARG 11 Ca 0.28 -1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 53.96 1wf9 s ARG 11 Cb -0.06 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 1wf9 s ARG 11 CO 0.14 -0.86 0.53 0.14 0.02 0.00 0.00 175.30 175.28 1wf9 s VAL 12 N 1.26 5.07 -0.13 3.52 -7.23 0.49 -1.04 120.40 122.34 1wf9 s VAL 12 Ca 0.02 -0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 1wf9 s VAL 12 Cb -0.21 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 32.98 1wf9 s VAL 12 CO -0.01 -0.36 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.67 1wf9 s ARG 13 N -3.69 2.29 0.42 4.82 6.06 0.53 0.51 118.95 129.88 1wf9 s ARG 13 Ca 0.42 -0.57 0.07 0.00 -2.50 0.00 0.00 55.73 53.15 1wf9 s ARG 13 Cb -0.11 -2.01 -0.07 0.00 0.06 0.00 0.00 34.95 32.83 1wf9 s ARG 13 CO 0.31 -0.15 0.07 -1.54 -2.50 0.00 0.00 175.30 171.50 1wf9 s SER 14 N 1.22 4.08 0.27 -2.12 1.04 -0.59 0.19 113.70 117.79 1wf9 s SER 14 Ca -0.01 -1.29 0.25 0.00 0.48 0.00 0.00 55.95 55.38 1wf9 s SER 14 Cb -0.14 -0.37 0.97 0.00 0.10 0.00 0.00 66.02 66.58 1wf9 s SER 14 CO -0.06 -0.51 1.74 0.08 0.98 0.00 0.00 173.24 175.47 1wf9 h ARG 15 N 1.62 0.00 0.00 4.02 0.11 -1.99 -2.30 114.38 115.84 1wf9 h ARG 15 Ca -0.43 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.52 1wf9 h ARG 15 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1wf9 h ARG 15 CO 0.77 0.00 -1.41 -0.25 0.10 0.00 0.00 179.97 179.18 1wf9 n ASP 16 N -2.31 0.74 0.00 0.08 9.92 -1.26 -5.05 116.55 118.67 1wf9 n ASP 16 Ca 0.03 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1wf9 n ASP 16 Cb 0.28 0.43 0.00 0.00 -0.64 0.00 0.00 41.12 41.19 1wf9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wf9 n GLY 17 N 1.35 2.68 3.67 0.44 0.00 -0.87 -5.09 105.19 107.37 1wf9 n GLY 17 Ca -0.08 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 4.26 0.17 0.99 2.96 -1.26 -1.55 118.68 124.26 1wf9 s LEU 18 Ca 0.00 1.92 0.11 0.00 -0.22 0.00 0.00 54.13 55.94 1wf9 s LEU 18 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1wf9 s LEU 18 CO 0.00 -0.73 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.47 1wf9 s GLU 19 N 2.95 1.60 0.06 1.98 2.02 0.18 -4.93 118.70 122.56 1wf9 s GLU 19 Ca 0.60 -1.43 0.09 0.00 0.02 0.00 0.00 54.97 54.25 1wf9 s GLU 19 Cb -0.27 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1wf9 s GLU 19 CO 0.22 0.42 -0.23 -0.98 0.02 0.00 0.00 175.26 174.70 1wf9 s ARG 20 N -2.55 1.82 0.02 1.61 1.70 -1.26 0.18 118.95 120.47 1wf9 s ARG 20 Ca 0.20 -1.11 0.01 0.00 -0.47 0.00 0.00 55.73 54.36 1wf9 s ARG 20 Cb -0.09 -2.04 -0.01 0.00 -0.57 0.00 0.00 34.95 32.24 1wf9 s ARG 20 CO 0.10 0.51 -0.05 0.08 -1.08 0.00 0.00 175.30 174.86 1wf9 s VAL 21 N -0.91 0.36 -0.17 4.99 1.01 -0.69 -4.93 120.40 120.06 1wf9 s VAL 21 Ca 0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1wf9 s VAL 21 Cb -0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1wf9 s VAL 21 CO 0.04 -0.21 0.21 -0.55 0.00 0.00 0.00 175.10 174.59 1wf9 s SER 22 N -0.95 6.35 0.00 3.32 0.15 -1.26 -0.75 113.70 120.56 1wf9 s SER 22 Ca -0.06 0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1wf9 s SER 22 Cb -0.06 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1wf9 s SER 22 CO -0.00 0.17 0.00 1.33 1.20 0.00 0.00 173.24 175.94 1wf9 n VAL 23 N 3.35 0.00 -0.11 4.45 0.24 0.24 -4.84 118.33 121.65 1wf9 n VAL 23 Ca -0.14 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.95 1wf9 n VAL 23 Cb 0.52 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.50 1.97 0.00 -1.34 9.92 -1.26 -0.36 116.55 123.99 1wf9 n ASP 24 Ca 0.00 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 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 1.98 -0.41 0.13 0.44 0.00 -1.26 -3.72 105.19 102.35 1wf9 n GLY 25 Ca -0.43 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 0.15 -0.63 1.61 0.13 -1.94 -3.10 132.00 128.21 1wf9 h PRO 26 Ca 0.00 -0.14 0.18 0.00 -0.87 0.00 0.00 66.00 65.17 1wf9 h PRO 26 Cb 0.00 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.14 1wf9 h PRO 26 CO 0.00 0.86 0.86 1.12 -0.23 0.00 0.00 178.00 180.61 1wf9 h HIS 27 N 0.09 0.00 -3.32 1.56 2.07 -2.01 -3.39 115.15 110.15 1wf9 h HIS 27 Ca -0.03 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.97 1wf9 h HIS 27 Cb 1.38 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.34 1wf9 h HIS 27 CO 0.02 0.00 -0.12 0.96 -3.07 0.00 0.00 177.93 175.72 1wf9 s ILE 28 N -4.42 4.98 0.40 6.12 -5.25 -1.17 -5.08 121.20 116.77 1wf9 s ILE 28 Ca -0.03 0.24 0.08 0.00 -0.99 0.00 0.00 60.65 59.94 1wf9 s ILE 28 Cb 0.13 -3.69 -0.04 0.00 2.95 0.00 0.00 42.46 41.81 1wf9 s ILE 28 CO 0.43 -0.23 0.26 0.42 -1.79 0.00 0.00 174.94 174.03 1wf9 s THR 29 N -1.99 2.62 0.36 8.37 -4.23 -1.26 -3.75 115.64 115.76 1wf9 s THR 29 Ca 0.45 -1.54 0.14 0.00 -1.18 0.00 0.00 61.69 59.57 1wf9 s THR 29 Cb -0.11 -3.01 0.36 0.00 1.34 0.00 0.00 72.50 71.08 1wf9 s THR 29 CO 0.27 -0.04 1.75 0.58 -0.54 0.00 0.00 174.62 176.64 1wf9 h VAL 30 N 1.28 0.52 0.03 2.29 2.07 -0.42 0.35 116.25 122.37 1wf9 h VAL 30 Ca -0.42 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1wf9 h VAL 30 Cb 1.26 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1wf9 h VAL 30 CO 0.63 0.09 -0.19 -1.28 0.02 0.00 0.00 177.57 176.84 1wf9 h SER 31 N 0.48 -0.55 0.25 0.57 0.87 -1.76 0.96 113.55 114.37 1wf9 h SER 31 Ca 0.62 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 61.18 1wf9 h SER 31 Cb 1.39 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 1wf9 h SER 31 CO -0.38 -0.26 -0.32 1.56 -0.53 0.00 0.00 176.83 176.89 1wf9 h GLN 32 N -0.32 0.12 0.50 2.24 4.20 -0.94 -1.82 115.11 119.09 1wf9 h GLN 32 Ca 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1wf9 h GLN 32 Cb 0.38 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1wf9 h GLN 32 CO -0.16 0.43 -0.24 1.25 -0.67 0.00 0.00 178.83 179.44 1wf9 h LEU 33 N 0.11 -0.57 -0.65 1.46 5.85 0.61 -2.43 115.31 119.69 1wf9 h LEU 33 Ca 0.01 -0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1wf9 h LEU 33 Cb 0.63 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.70 1wf9 h LEU 33 CO 0.05 -0.18 0.06 0.11 -0.34 0.00 0.00 178.44 178.14 1wf9 h LYS 34 N -1.06 0.16 -1.00 1.25 1.57 0.97 0.42 116.57 118.87 1wf9 h LYS 34 Ca -0.07 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.87 1wf9 h LYS 34 Cb 0.59 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.77 1wf9 h LYS 34 CO 0.11 0.11 0.62 1.15 -0.57 0.00 0.00 179.45 180.87 1wf9 h THR 35 N 0.17 0.76 0.02 -0.16 2.02 -1.31 1.61 112.91 116.03 1wf9 h THR 35 Ca 0.35 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1wf9 h THR 35 Cb 0.57 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1wf9 h THR 35 CO -0.52 0.15 -0.01 -0.07 0.37 0.00 0.00 175.52 175.44 1wf9 h LEU 36 N 0.81 -0.03 -2.20 2.58 3.38 0.30 -0.68 115.31 119.47 1wf9 h LEU 36 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1wf9 h LEU 36 Cb 0.80 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wf9 h LEU 36 CO -0.34 -0.02 0.25 0.40 0.09 0.00 0.00 178.44 178.83 1wf9 h ILE 37 N -0.04 0.00 -0.04 1.22 2.04 -0.99 1.13 117.51 120.82 1wf9 h ILE 37 Ca -0.00 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 1wf9 h ILE 37 Cb 0.03 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1wf9 h ILE 37 CO 0.01 0.00 -0.77 -0.61 0.00 0.00 0.00 178.15 176.78 1wf9 h GLN 38 N 0.00 0.31 0.08 2.37 4.15 0.26 0.01 115.11 122.29 1wf9 h GLN 38 Ca 0.00 -0.27 -0.37 0.00 0.77 0.00 0.00 58.65 58.77 1wf9 h GLN 38 Cb 0.51 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1wf9 h GLN 38 CO 0.00 0.94 -2.15 -3.47 -1.93 0.00 0.00 178.83 172.22 1wf9 n ASP 39 N -3.78 2.07 0.36 -0.69 2.03 0.21 -0.31 116.55 116.42 1wf9 n ASP 39 Ca -0.04 0.10 -0.14 0.00 0.52 0.00 0.00 54.79 55.23 1wf9 n ASP 39 Cb 0.73 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 1wf9 n ASP 39 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1wf9 h GLN 40 N -0.02 -0.91 -0.00 -0.67 4.20 0.87 -2.97 115.11 115.62 1wf9 h GLN 40 Ca -0.48 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1wf9 h GLN 40 Cb 1.95 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.94 1wf9 h GLN 40 CO 0.01 -0.61 -0.01 1.28 -0.67 0.00 0.00 178.83 178.83 1wf9 n LEU 41 N -5.23 0.09 -3.72 1.46 4.77 -0.02 -4.91 117.00 109.45 1wf9 n LEU 41 Ca -0.12 0.08 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 1wf9 n LEU 41 Cb 0.37 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1wf9 n LEU 41 CO 0.28 0.02 -0.09 0.00 -1.33 0.00 0.00 177.39 176.26 1wf9 n GLN 42 N -1.05 -4.03 -4.73 3.23 1.13 -0.98 -4.65 117.38 106.30 1wf9 n GLN 42 Ca 0.20 0.57 -0.27 0.00 -1.94 0.00 0.00 57.00 55.56 1wf9 n GLN 42 Cb 0.18 -4.96 -0.14 0.00 0.11 0.00 0.00 30.24 25.42 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 -3.68 1.76 0.14 5.09 1.01 0.57 0.30 121.20 126.39 1wf9 s ILE 43 Ca 0.08 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 1wf9 s ILE 43 Cb -0.02 -1.52 -0.07 0.00 0.01 0.00 0.00 42.46 40.85 1wf9 s ILE 43 CO 0.83 0.26 1.13 -2.16 0.00 0.00 0.00 174.94 175.00 1wf9 s PRO 44 N -1.14 4.54 0.09 2.79 0.04 -1.26 -3.96 135.00 136.09 1wf9 s PRO 44 Ca 0.08 1.74 -0.34 0.00 0.04 0.00 0.00 61.00 62.52 1wf9 s PRO 44 Cb -0.09 -3.30 -0.15 0.00 0.04 0.00 0.00 34.50 31.00 1wf9 s PRO 44 CO 0.02 -0.04 1.59 0.82 0.04 0.00 0.00 177.00 179.42 1wf9 h ILE 45 N 3.98 0.13 -1.85 0.56 2.04 -1.90 0.86 117.51 121.33 1wf9 h ILE 45 Ca -0.43 0.00 0.54 0.00 1.00 0.00 0.00 64.86 65.96 1wf9 h ILE 45 Cb 1.21 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 1wf9 h ILE 45 CO 0.75 0.00 1.38 0.00 0.00 0.00 0.00 178.15 180.28 1wf9 n HIS 46 N -5.53 0.00 -0.07 1.37 1.44 -1.26 0.18 115.22 111.36 1wf9 n HIS 46 Ca -0.11 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.38 1wf9 n HIS 46 Cb 0.42 -0.46 -0.12 0.00 0.12 0.00 0.00 29.99 29.95 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 -3.80 1.98 -4.56 4.39 4.13 -0.04 -4.93 115.26 112.43 1wf9 n ASN 47 Ca 0.42 0.31 -0.47 0.00 1.68 0.00 0.00 54.58 56.52 1wf9 n ASN 47 Cb 1.93 -0.90 -0.03 0.00 -1.54 0.00 0.00 39.78 39.24 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 -4.01 1.04 -3.69 3.52 6.02 0.48 -4.11 117.38 116.64 1wf9 n GLN 48 Ca -0.34 0.37 -0.28 0.00 -0.01 0.00 0.00 57.00 56.73 1wf9 n GLN 48 Cb 0.85 -1.75 -0.16 0.00 1.02 0.00 0.00 30.24 30.20 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 -0.62 0.43 0.09 5.09 2.01 0.39 -4.89 115.64 118.14 1wf9 s THR 49 Ca 0.67 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.69 1wf9 s THR 49 Cb -0.82 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 1wf9 s THR 49 CO 0.56 -0.41 0.74 -0.76 -0.69 0.00 0.00 174.62 174.06 1wf9 s LEU 50 N 1.88 4.51 -0.28 4.42 2.01 -1.26 -1.39 118.68 128.57 1wf9 s LEU 50 Ca 0.03 1.49 -0.15 0.00 0.01 0.00 0.00 54.13 55.51 1wf9 s LEU 50 Cb -0.17 -3.21 0.09 0.00 0.01 0.00 0.00 46.19 42.91 1wf9 s LEU 50 CO -0.17 0.11 0.67 -0.55 1.01 0.00 0.00 176.35 177.42 1wf9 s SER 51 N -0.53 -0.95 -0.27 2.29 0.15 -1.18 -3.67 113.70 109.55 1wf9 s SER 51 Ca 0.36 1.49 -0.00 0.00 0.70 0.00 0.00 55.95 58.50 1wf9 s SER 51 Cb -0.21 1.51 0.21 0.00 -1.71 0.00 0.00 66.02 65.81 1wf9 s SER 51 CO 0.23 -0.23 1.90 0.35 1.20 0.00 0.00 173.24 176.69 1wf9 n THR 52 N 4.52 2.55 -3.71 6.45 -2.24 -1.26 -3.03 114.28 117.56 1wf9 n THR 52 Ca -0.19 -1.39 -0.14 0.00 -2.27 0.00 0.00 64.05 60.06 1wf9 n THR 52 Cb 0.57 -1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 67.42 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 0.31 0.04 0.66 3.42 3.84 -1.26 -5.00 114.94 116.95 1wf9 s ASN 53 Ca 0.27 0.45 0.40 0.00 0.21 0.00 0.00 52.86 54.19 1wf9 s ASN 53 Cb 0.21 0.39 2.20 0.00 -0.55 0.00 0.00 41.25 43.50 1wf9 s ASN 53 CO 0.01 -0.19 2.26 0.08 -2.79 0.00 0.00 177.10 176.46 1wf9 h ARG 54 N 7.59 0.00 -0.12 0.43 -0.00 -1.99 0.36 114.38 120.65 1wf9 h ARG 54 Ca -0.32 0.00 0.04 0.00 -0.00 0.00 0.00 59.98 59.69 1wf9 h ARG 54 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.10 1wf9 h ARG 54 CO 0.31 0.00 0.24 -0.91 -0.00 0.00 0.00 179.97 179.61 1wf9 h ASN 55 N 0.00 0.00 -0.53 0.08 2.35 -1.96 -0.39 115.58 115.14 1wf9 h ASN 55 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1wf9 h ASN 55 Cb 0.17 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.47 1wf9 h ASN 55 CO -0.00 0.00 0.08 0.25 -1.65 0.00 0.00 177.43 176.11 1wf9 h LEU 56 N 0.00 -0.06 -2.31 1.61 6.46 -1.28 0.87 115.31 120.60 1wf9 h LEU 56 Ca 0.06 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1wf9 h LEU 56 Cb 0.54 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1wf9 h LEU 56 CO -0.00 -0.01 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.73 1wf9 h LEU 57 N 0.21 0.00 -0.28 2.25 3.38 -1.28 -0.41 115.31 119.17 1wf9 h LEU 57 Ca 0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 1wf9 h LEU 57 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1wf9 h LEU 57 CO -0.37 0.01 -0.88 0.17 0.09 0.00 0.00 178.44 177.46 1wf9 h LEU 58 N 0.00 0.17 -9.30 1.67 8.10 0.66 -3.43 115.31 113.18 1wf9 h LEU 58 Ca -0.00 -0.14 -0.54 0.00 0.11 0.00 0.00 57.88 57.31 1wf9 h LEU 58 Cb 0.22 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1wf9 h LEU 58 CO 0.00 0.96 1.08 0.00 -4.11 0.00 0.00 178.44 176.37 1wf9 s ALA 59 N -3.14 3.62 -0.07 0.17 0.00 -0.16 -4.83 121.76 117.35 1wf9 s ALA 59 Ca -0.02 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1wf9 s ALA 59 Cb 0.10 -3.74 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 1wf9 s ALA 59 CO 0.82 -1.36 0.05 1.63 0.00 0.00 0.00 175.76 176.90 1wf9 n LYS 60 N 6.92 2.38 -2.54 0.00 4.76 -1.26 -4.90 118.16 123.52 1wf9 n LYS 60 Ca 0.17 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.30 1wf9 n LYS 60 Cb 0.42 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.40 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1wf9 s SER 61 N -3.82 6.39 0.40 4.39 1.04 -1.26 -4.97 113.70 115.88 1wf9 s SER 61 Ca -0.04 1.17 0.27 0.00 0.48 0.00 0.00 55.95 57.83 1wf9 s SER 61 Cb 0.03 -2.35 0.88 0.00 0.10 0.00 0.00 66.02 64.68 1wf9 s SER 61 CO 0.32 -0.57 1.78 1.55 0.98 0.00 0.00 173.24 177.30 1wf9 h PRO 62 N 0.57 0.00 0.03 4.02 0.13 -2.01 -2.95 132.00 131.79 1wf9 h PRO 62 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 1wf9 h PRO 62 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1wf9 h PRO 62 CO 0.62 0.00 -1.40 1.03 -0.23 0.00 0.00 178.00 178.02 1wf9 h SER 63 N 0.00 0.11 -0.32 1.44 0.87 -2.01 -3.33 113.55 110.31 1wf9 h SER 63 Ca 0.00 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1wf9 h SER 63 Cb 0.68 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1wf9 h SER 63 CO 0.00 1.13 0.01 -0.78 -0.53 0.00 0.00 176.83 176.66 1wf9 h ASP 64 N 0.02 0.54 -0.17 6.23 1.82 -1.92 -2.23 116.42 120.71 1wf9 h ASP 64 Ca -0.17 -0.30 0.05 0.00 -0.39 0.00 0.00 57.03 56.22 1wf9 h ASP 64 Cb 1.92 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.78 1wf9 h ASP 64 CO 0.12 0.71 0.36 -0.26 -1.61 0.00 0.00 179.24 178.55 1wf9 h PHE 65 N 0.36 0.00 0.00 0.28 0.04 -1.63 1.49 116.94 117.47 1wf9 h PHE 65 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1wf9 h PHE 65 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1wf9 h PHE 65 CO 0.03 0.00 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.65 1wf9 h LEU 66 N 0.00 0.00 -1.51 1.54 3.38 -1.52 -3.08 115.31 114.12 1wf9 h LEU 66 Ca 0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1wf9 h LEU 66 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1wf9 h LEU 66 CO -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.28 1wf9 h ALA 67 N 2.16 1.39 -2.37 1.53 0.00 0.21 -3.36 119.26 118.83 1wf9 h ALA 67 Ca 0.00 -0.23 -0.76 0.00 0.00 0.00 0.00 54.91 53.92 1wf9 h ALA 67 Cb 0.92 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.43 1wf9 h ALA 67 CO 0.00 0.31 0.05 -0.06 0.00 0.00 0.00 179.25 179.55 1wf9 s PHE 68 N -4.24 3.43 -0.36 0.00 0.08 -1.17 -4.87 117.98 110.85 1wf9 s PHE 68 Ca -0.03 -1.56 0.06 0.00 0.12 0.00 0.00 56.93 55.53 1wf9 s PHE 68 Cb 0.14 -3.88 0.44 0.00 -0.57 0.00 0.00 43.02 39.15 1wf9 s PHE 68 CO 0.67 -1.08 1.15 0.25 -0.10 0.00 0.00 175.22 176.11 1wf9 n THR 69 N 4.76 2.43 0.00 0.64 -2.24 -1.26 -4.68 114.28 113.93 1wf9 n THR 69 Ca 0.02 -4.55 -0.10 0.00 -2.27 0.00 0.00 64.05 57.15 1wf9 n THR 69 Cb 0.44 -1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 67.36 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 2.38 0.07 -0.44 3.42 3.32 -1.90 -3.37 116.42 119.91 1wf9 h ASP 70 Ca 0.33 -0.13 -0.32 0.00 0.02 0.00 0.00 57.03 56.93 1wf9 h ASP 70 Cb 1.23 -0.02 -0.35 0.00 0.22 0.00 0.00 39.33 40.41 1wf9 h ASP 70 CO 0.80 1.11 -0.88 0.23 -1.72 0.00 0.00 179.24 178.78 1wf9 n MET 71 N -3.18 2.29 -0.03 3.56 2.81 -1.24 -4.73 117.12 116.60 1wf9 n MET 71 Ca -0.15 -3.57 -0.09 0.00 -1.81 0.00 0.00 57.70 52.08 1wf9 n MET 71 Cb 1.03 -1.70 -0.14 0.00 -0.71 0.00 0.00 33.22 31.70 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 -0.60 1.47 -2.12 3.04 0.00 -1.26 -4.30 120.51 116.74 1wf9 n ALA 72 Ca 0.24 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 1wf9 n ALA 72 Cb 0.89 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -6.07 6.76 0.45 0.00 2.15 -1.26 -4.88 116.67 113.83 1wf9 s ASP 73 Ca -0.06 2.20 0.28 0.00 0.43 0.00 0.00 52.55 55.40 1wf9 s ASP 73 Cb 0.08 -2.55 0.87 0.00 -0.30 0.00 0.00 42.92 41.01 1wf9 s ASP 73 CO 0.82 -0.80 1.79 1.55 -0.17 0.00 0.00 175.17 178.36 1wf9 h PRO 74 N 8.29 0.00 -0.07 4.34 0.13 -1.93 -2.44 132.00 140.31 1wf9 h PRO 74 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wf9 h PRO 74 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wf9 h PRO 74 CO 0.92 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 1wf9 n ASN 75 N -2.95 1.85 -4.82 1.44 3.02 -1.26 -2.69 115.26 109.84 1wf9 n ASN 75 Ca 0.03 -1.64 -0.35 0.00 -0.03 0.00 0.00 54.58 52.58 1wf9 n ASN 75 Cb 0.40 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.88 4.28 0.10 3.41 2.96 -0.92 -4.91 118.68 121.71 1wf9 s LEU 76 Ca 0.35 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.72 1wf9 s LEU 76 Cb 0.20 -3.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1wf9 s LEU 76 CO 0.31 -0.03 0.11 -0.13 -1.32 0.00 0.00 176.35 175.29 1wf9 s ARG 77 N -2.21 2.96 0.00 1.98 3.00 -1.26 0.12 118.95 123.54 1wf9 s ARG 77 Ca 0.46 -0.70 0.11 0.00 0.00 0.00 0.00 55.73 55.60 1wf9 s ARG 77 Cb -0.15 -2.75 0.46 0.00 0.00 0.00 0.00 34.95 32.51 1wf9 s ARG 77 CO 0.20 0.55 1.33 0.44 0.00 0.00 0.00 175.30 177.83 1wf9 n ILE 78 N 0.24 1.22 0.24 1.52 -5.35 -1.25 -1.67 119.36 114.32 1wf9 n ILE 78 Ca -0.08 0.31 0.11 0.00 -0.27 0.00 0.00 62.75 62.81 1wf9 n ILE 78 Cb 0.52 -1.12 0.61 0.00 -1.74 0.00 0.00 39.64 37.91 1wf9 n ILE 78 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1wf9 h SER 79 N 0.00 0.00 0.22 7.28 0.87 -1.87 -1.39 113.55 118.66 1wf9 h SER 79 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1wf9 h SER 79 Cb 0.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wf9 h SER 79 CO 0.00 0.18 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.06 1wf9 h SER 80 N 0.00 0.00 0.37 6.23 0.87 -1.74 -1.70 113.55 117.58 1wf9 h SER 80 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1wf9 h SER 80 Cb 0.49 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1wf9 h SER 80 CO 0.02 0.14 -1.70 0.18 -0.53 0.00 0.00 176.83 174.94 1wf9 n LEU 81 N -4.05 0.36 -0.90 2.23 7.99 -0.70 -4.98 117.00 116.96 1wf9 n LEU 81 Ca -0.02 0.15 -0.06 0.00 -0.01 0.00 0.00 56.01 56.06 1wf9 n LEU 81 Cb 0.22 0.06 0.01 0.00 -0.11 0.00 0.00 43.42 43.60 1wf9 n LEU 81 CO 0.33 0.04 -0.03 0.59 -1.51 0.00 0.00 177.39 176.82 1wf9 n ASN 82 N -2.54 -2.67 -4.55 -1.43 3.02 -0.61 -4.90 115.26 101.58 1wf9 n ASN 82 Ca -0.08 -0.05 -0.38 0.00 -0.03 0.00 0.00 54.58 54.04 1wf9 n ASN 82 Cb 0.69 -1.77 -0.04 0.00 -0.61 0.00 0.00 39.78 38.06 1wf9 n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wf9 n LEU 83 N -1.15 2.33 -4.96 3.41 7.99 -1.15 -4.92 117.00 118.55 1wf9 n LEU 83 Ca -0.05 -0.35 -0.23 0.00 -0.01 0.00 0.00 56.01 55.38 1wf9 n LEU 83 Cb 0.54 -1.54 0.06 0.00 -0.11 0.00 0.00 43.42 42.38 1wf9 n LEU 83 CO 0.11 -1.38 0.48 0.00 -1.51 0.00 0.00 177.39 175.10 1wf9 s ALA 84 N 11.37 3.61 -0.51 -1.18 0.00 -1.26 -4.88 121.76 128.91 1wf9 s ALA 84 Ca 1.01 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1wf9 s ALA 84 Cb -0.28 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.53 1wf9 s ALA 84 CO 0.29 -1.08 2.43 1.58 0.00 0.00 0.00 175.76 178.98 1wf9 n HIS 85 N -2.63 1.39 0.00 0.00 -0.00 -1.26 0.04 115.22 112.75 1wf9 n HIS 85 Ca 0.10 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.41 1wf9 n HIS 85 Cb 0.60 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.85 1wf9 n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wf9 n GLY 86 N 6.04 1.57 2.14 1.57 0.00 -1.17 -5.06 105.19 110.29 1wf9 n GLY 86 Ca 0.39 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 1wf9 n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wf9 n SER 87 N 0.00 -1.17 -4.26 1.61 3.41 0.11 -4.84 113.62 108.48 1wf9 n SER 87 Ca 0.00 -1.01 -0.28 0.00 -0.26 0.00 0.00 58.87 57.33 1wf9 n SER 87 Cb 0.00 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 63.20 1wf9 n SER 87 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1wf9 s MET 88 N -4.55 1.68 0.14 4.33 -2.45 -1.26 -3.20 119.30 113.99 1wf9 s MET 88 Ca 0.43 -0.88 -0.17 0.00 -1.25 0.00 0.00 55.69 53.82 1wf9 s MET 88 Cb -0.03 -1.70 0.04 0.00 1.25 0.00 0.00 34.83 34.38 1wf9 s MET 88 CO 0.32 0.45 0.43 0.08 1.05 0.00 0.00 175.02 177.36 1wf9 s VAL 89 N -0.64 0.06 -0.06 10.11 1.01 -0.20 -4.96 120.40 125.71 1wf9 s VAL 89 Ca 0.09 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1wf9 s VAL 89 Cb -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1wf9 s VAL 89 CO 0.00 -0.26 -0.16 -0.31 0.00 0.00 0.00 175.10 174.38 1wf9 s TYR 90 N -3.81 1.70 -0.25 5.22 2.02 -1.17 0.20 117.35 121.26 1wf9 s TYR 90 Ca 0.04 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 56.13 1wf9 s TYR 90 Cb 0.01 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1wf9 s TYR 90 CO -0.10 -0.23 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.46 1wf9 s LEU 91 N 0.30 3.24 -0.15 -1.29 2.96 0.50 -3.09 118.68 121.16 1wf9 s LEU 91 Ca -0.09 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.22 1wf9 s LEU 91 Cb -0.14 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1wf9 s LEU 91 CO 0.04 -0.10 -0.18 0.00 -1.32 0.00 0.00 176.35 174.79 1wf9 s ALA 92 N 1.44 2.40 0.24 5.97 0.00 -0.48 -4.24 121.76 127.09 1wf9 s ALA 92 Ca 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1wf9 s ALA 92 Cb -0.16 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1wf9 s ALA 92 CO -0.02 -0.02 0.27 1.52 0.00 0.00 0.00 175.76 177.51 1wf9 s TYR 93 N 0.80 1.01 -0.08 0.00 1.13 -1.26 0.15 117.35 119.11 1wf9 s TYR 93 Ca -0.06 -1.24 0.02 0.00 -1.41 0.00 0.00 57.07 54.38 1wf9 s TYR 93 Cb -0.15 -0.34 -0.02 0.00 -1.10 0.00 0.00 41.96 40.34 1wf9 s TYR 93 CO -0.00 -0.80 -0.13 -2.00 -2.51 0.00 0.00 175.55 170.10 1wf9 s GLU 94 N -3.94 2.85 0.01 -3.49 2.12 -1.26 -5.02 118.70 109.97 1wf9 s GLU 94 Ca 0.34 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1wf9 s GLU 94 Cb 0.04 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1wf9 s GLU 94 CO 0.14 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 1wf9 n GLY 95 N 2.73 -1.52 2.29 -1.50 0.00 -1.26 -4.97 105.19 100.97 1wf9 n GLY 95 Ca -0.18 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 1wf9 n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wf9 n GLU 96 N -1.58 -0.88 -2.34 1.61 1.02 -1.26 -5.07 120.64 112.15 1wf9 n GLU 96 Ca -0.00 -1.21 -0.27 0.00 -0.02 0.00 0.00 57.16 55.66 1wf9 n GLU 96 Cb 0.01 -0.83 0.03 0.00 -0.02 0.00 0.00 31.44 30.64 1wf9 n GLU 96 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wf9 s ARG 97 N -4.72 2.88 0.00 3.49 0.52 -1.26 -4.93 118.95 114.93 1wf9 s ARG 97 Ca 0.45 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1wf9 s ARG 97 Cb -0.01 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1wf9 s ARG 97 CO 0.32 -0.76 0.00 0.25 0.02 0.00 0.00 175.30 175.13 1wf9 n THR 98 N -2.64 0.00 -3.14 0.02 -2.24 0.15 -5.03 114.28 101.40 1wf9 n THR 98 Ca 0.05 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.48 1wf9 n THR 98 Cb 0.58 -1.95 -0.06 0.00 -2.10 0.00 0.00 70.33 66.80 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 -0.62 4.64 0.14 2.28 1.01 -1.26 -4.95 121.20 122.43 1wf9 s ILE 99 Ca 0.00 1.10 0.11 0.00 0.00 0.00 0.00 60.65 61.86 1wf9 s ILE 99 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1wf9 s ILE 99 CO 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 174.94 174.74 1wf9 s ARG 100 N -2.39 1.48 0.00 2.79 1.70 -1.26 -4.99 118.95 116.28 1wf9 s ARG 100 Ca 0.47 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 1wf9 s ARG 100 Cb -0.14 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 1wf9 s ARG 100 CO 0.19 0.44 0.00 0.41 -1.08 0.00 0.00 175.30 175.27 1wf9 n GLY 101 N 0.76 2.22 1.46 3.88 0.00 -1.26 -5.15 105.19 107.10 1wf9 n GLY 101 Ca -0.17 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 -7.88 0.00 1.61 2.88 -1.26 -5.04 113.62 103.93 1wf9 n SER 102 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1wf9 n SER 102 Cb 0.00 -4.03 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 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 -0.33 0.32 3.72 0.46 0.00 -1.26 -5.04 105.19 103.06 1wf9 n GLY 103 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.63 4.46 -0.05 1.61 0.04 -1.26 -4.93 135.00 134.24 1wf9 s PRO 104 Ca 0.00 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1wf9 s PRO 104 Cb 0.00 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1wf9 s PRO 104 CO 0.00 -0.20 -0.17 -1.13 0.04 0.00 0.00 177.00 175.54 1wf9 n SER 105 N 3.76 1.43 -4.67 6.66 3.41 -1.26 -5.03 113.62 117.92 1wf9 n SER 105 Ca 0.08 0.22 -0.34 0.00 -0.26 0.00 0.00 58.87 58.57 1wf9 n SER 105 Cb 0.47 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 1wf9 n SER 105 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wf9 s SER 106 N -5.99 5.08 0.00 4.04 0.15 -1.26 -5.17 113.70 110.55 1wf9 s SER 106 Ca -0.14 0.05 0.16 0.00 0.70 0.00 0.00 55.95 56.71 1wf9 s SER 106 Cb 0.03 -1.36 0.94 0.00 -1.71 0.00 0.00 66.02 63.91 1wf9 s SER 106 CO 0.21 0.33 1.35 0.61 1.20 0.00 0.00 173.24 176.94