#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 0.88 -4.62 1.61 7.64 -1.26 -5.00 113.62 112.88 1wf9 n SER 2 Ca 0.00 0.18 -0.43 0.00 1.01 0.00 0.00 58.87 59.64 1wf9 n SER 2 Cb 0.00 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1wf9 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf9 s SER 3 N -5.80 6.75 -0.33 6.43 0.01 -1.26 -4.92 113.70 114.58 1wf9 s SER 3 Ca 0.00 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 57.92 1wf9 s SER 3 Cb 0.00 -2.49 0.19 0.00 0.21 0.00 0.00 66.02 63.93 1wf9 s SER 3 CO 0.00 -0.87 0.97 -0.83 0.41 0.00 0.00 173.24 172.91 1wf9 s GLY 4 N 1.83 -1.42 -0.12 3.44 0.00 -1.26 -5.16 107.32 104.63 1wf9 s GLY 4 Ca 0.41 1.20 -0.06 0.00 0.00 0.00 0.00 44.72 46.27 1wf9 s GLY 4 CO 0.18 4.17 0.12 -0.56 0.00 0.00 0.00 173.10 177.00 1wf9 s SER 5 N 2.08 6.19 0.08 1.64 0.01 -1.26 -4.99 113.70 117.45 1wf9 s SER 5 Ca 0.16 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1wf9 s SER 5 Cb 0.01 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1wf9 s SER 5 CO -0.15 0.39 0.00 -0.24 0.41 0.00 0.00 173.24 173.65 1wf9 n SER 6 N 2.10 0.59 0.00 2.44 2.88 -1.26 -5.13 113.62 115.23 1wf9 n SER 6 Ca -0.20 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wf9 n SER 6 Cb 0.55 -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 3.20 3.54 3.54 0.46 0.00 -1.26 -5.10 105.19 109.57 1wf9 n GLY 7 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 2.81 5.16 -0.18 2.61 2.01 -1.26 -5.04 115.64 121.75 1wf9 s THR 8 Ca 0.00 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 1wf9 s THR 8 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1wf9 s THR 8 CO 0.00 0.13 -0.02 -0.32 -0.69 0.00 0.00 174.62 173.72 1wf9 s MET 9 N 1.72 3.61 -0.15 4.92 1.75 -1.26 -2.78 119.30 127.11 1wf9 s MET 9 Ca 0.06 -0.53 -0.05 0.00 -1.25 0.00 0.00 55.69 53.92 1wf9 s MET 9 Cb -0.17 -2.99 -0.03 0.00 2.84 0.00 0.00 34.83 34.48 1wf9 s MET 9 CO 0.10 0.10 0.01 -0.51 -0.65 0.00 0.00 175.02 174.06 1wf9 s LEU 10 N 0.75 3.52 -0.69 4.11 2.01 -1.08 -2.62 118.68 124.68 1wf9 s LEU 10 Ca -0.01 0.00 -0.22 0.00 0.01 0.00 0.00 54.13 53.91 1wf9 s LEU 10 Cb -0.14 -1.86 0.07 0.00 0.01 0.00 0.00 46.19 44.27 1wf9 s LEU 10 CO 0.02 0.21 0.99 -0.60 1.01 0.00 0.00 176.35 177.98 1wf9 s ARG 11 N 0.13 3.15 -0.01 1.70 3.52 -1.11 -3.31 118.95 123.03 1wf9 s ARG 11 Ca 0.02 -0.88 -0.05 0.00 -0.13 0.00 0.00 55.73 54.69 1wf9 s ARG 11 Cb -0.13 -4.29 -0.04 0.00 -1.56 0.00 0.00 34.95 28.93 1wf9 s ARG 11 CO 0.02 -1.83 0.22 0.08 -0.81 0.00 0.00 175.30 172.97 1wf9 s VAL 12 N 4.04 5.38 -0.13 7.11 1.01 -1.02 -1.14 120.40 135.64 1wf9 s VAL 12 Ca 0.24 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1wf9 s VAL 12 Cb -0.16 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wf9 s VAL 12 CO 0.09 0.36 -0.18 -0.60 0.00 0.00 0.00 175.10 174.77 1wf9 s ARG 13 N -1.81 3.19 0.23 2.72 6.06 0.55 -0.86 118.95 129.03 1wf9 s ARG 13 Ca 0.27 -0.78 0.10 0.00 -2.50 0.00 0.00 55.73 52.82 1wf9 s ARG 13 Cb -0.13 -2.52 -0.05 0.00 0.06 0.00 0.00 34.95 32.32 1wf9 s ARG 13 CO 0.17 0.11 -0.18 -1.54 -2.50 0.00 0.00 175.30 171.35 1wf9 s SER 14 N 0.56 3.12 0.59 -2.12 1.04 -0.43 0.13 113.70 116.58 1wf9 s SER 14 Ca -0.11 -0.98 0.29 0.00 0.48 0.00 0.00 55.95 55.62 1wf9 s SER 14 Cb -0.16 -0.22 1.57 0.00 0.10 0.00 0.00 66.02 67.30 1wf9 s SER 14 CO 0.04 -0.03 2.01 0.08 0.98 0.00 0.00 173.24 176.32 1wf9 h ARG 15 N 2.61 0.00 0.00 4.02 0.11 -1.94 0.97 114.38 120.15 1wf9 h ARG 15 Ca -0.40 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.58 1wf9 h ARG 15 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1wf9 h ARG 15 CO 0.58 0.00 -0.43 -0.44 0.10 0.00 0.00 179.97 179.78 1wf9 h ASP 16 N 0.00 0.00 -3.32 0.08 5.19 -1.94 -3.49 116.42 112.93 1wf9 h ASP 16 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1wf9 h ASP 16 Cb 0.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1wf9 h ASP 16 CO -0.00 0.43 0.00 0.61 -3.12 0.00 0.00 179.24 177.16 1wf9 n GLY 17 N 1.11 2.23 3.68 2.75 0.00 0.34 -5.08 105.19 110.23 1wf9 n GLY 17 Ca 0.02 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 4.27 0.39 0.99 2.96 -1.26 -1.32 118.68 124.72 1wf9 s LEU 18 Ca 0.00 1.89 0.05 0.00 -0.22 0.00 0.00 54.13 55.85 1wf9 s LEU 18 Cb 0.00 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.07 1wf9 s LEU 18 CO 0.00 -0.66 0.03 -1.61 -1.32 0.00 0.00 176.35 172.79 1wf9 s GLU 19 N 2.54 1.88 0.24 1.98 2.02 -0.04 -4.95 118.70 122.37 1wf9 s GLU 19 Ca 0.58 -2.08 0.09 0.00 0.02 0.00 0.00 54.97 53.58 1wf9 s GLU 19 Cb -0.26 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 1wf9 s GLU 19 CO 0.22 -0.16 -0.01 1.03 0.02 0.00 0.00 175.26 176.37 1wf9 s ARG 20 N -3.79 2.30 -0.09 1.61 1.81 -1.26 -2.44 118.95 117.09 1wf9 s ARG 20 Ca 0.32 -1.35 -0.20 0.00 -1.72 0.00 0.00 55.73 52.78 1wf9 s ARG 20 Cb 0.08 -2.20 0.05 0.00 -0.45 0.00 0.00 34.95 32.43 1wf9 s ARG 20 CO 0.15 0.39 0.48 0.08 -0.68 0.00 0.00 175.30 175.72 1wf9 s VAL 21 N -2.17 0.02 -0.17 3.52 1.01 -1.21 -4.96 120.40 116.44 1wf9 s VAL 21 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1wf9 s VAL 21 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1wf9 s VAL 21 CO 0.19 -0.09 0.10 -0.55 0.00 0.00 0.00 175.10 174.75 1wf9 s SER 22 N -0.68 5.96 0.00 3.32 0.15 -1.26 -2.64 113.70 118.54 1wf9 s SER 22 Ca -0.08 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1wf9 s SER 22 Cb -0.03 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1wf9 s SER 22 CO 0.04 0.22 0.00 1.33 1.20 0.00 0.00 173.24 176.04 1wf9 n VAL 23 N 3.22 0.00 -0.02 4.45 0.24 -1.12 -4.93 118.33 120.18 1wf9 n VAL 23 Ca -0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.10 1wf9 n VAL 23 Cb 0.53 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 -0.47 2.40 0.00 -1.34 9.92 -1.26 -4.60 116.55 121.19 1wf9 n ASP 24 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1wf9 n ASP 24 Cb 0.00 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 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 3.14 -1.07 0.19 0.44 0.00 -1.26 -4.85 105.19 101.78 1wf9 n GLY 25 Ca -0.06 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.98 -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 0.32 0.15 1.12 -0.23 0.00 0.00 178.00 179.36 1wf9 h HIS 27 N 0.00 0.00 -3.66 1.56 2.07 -2.01 -3.39 115.15 109.73 1wf9 h HIS 27 Ca -0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.02 1wf9 h HIS 27 Cb 0.99 0.00 0.04 0.00 2.57 0.00 0.00 27.41 31.01 1wf9 h HIS 27 CO 0.00 0.00 0.14 0.96 -3.07 0.00 0.00 177.93 175.96 1wf9 s ILE 28 N -3.90 4.89 0.35 6.12 -5.25 -1.12 -5.06 121.20 117.23 1wf9 s ILE 28 Ca -0.03 0.27 0.09 0.00 -0.99 0.00 0.00 60.65 59.99 1wf9 s ILE 28 Cb 0.09 -3.87 -0.06 0.00 2.95 0.00 0.00 42.46 41.57 1wf9 s ILE 28 CO 0.28 -0.88 -0.04 0.42 -1.79 0.00 0.00 174.94 172.94 1wf9 s THR 29 N -2.79 2.41 0.39 8.37 -4.23 -1.26 -3.70 115.64 114.83 1wf9 s THR 29 Ca 0.48 -2.08 0.21 0.00 -1.18 0.00 0.00 61.69 59.12 1wf9 s THR 29 Cb -0.10 -2.74 0.40 0.00 1.34 0.00 0.00 72.50 71.39 1wf9 s THR 29 CO 0.46 -0.19 1.67 0.58 -0.54 0.00 0.00 174.62 176.60 1wf9 h VAL 30 N 1.90 0.28 -0.13 2.29 2.07 -0.31 0.69 116.25 123.04 1wf9 h VAL 30 Ca -0.42 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1wf9 h VAL 30 Cb 1.25 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1wf9 h VAL 30 CO 0.69 0.04 -0.15 0.77 0.02 0.00 0.00 177.57 178.95 1wf9 h SER 31 N 0.25 -0.46 0.41 0.57 4.64 -1.72 0.88 113.55 118.11 1wf9 h SER 31 Ca 0.74 0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 62.05 1wf9 h SER 31 Cb 1.97 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 64.27 1wf9 h SER 31 CO -0.48 -0.19 -0.44 1.56 -0.87 0.00 0.00 176.83 176.41 1wf9 h GLN 32 N -0.18 0.04 0.09 4.77 4.20 -0.04 -2.34 115.11 121.65 1wf9 h GLN 32 Ca 0.09 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1wf9 h GLN 32 Cb 0.32 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wf9 h GLN 32 CO -0.24 0.48 -0.04 1.25 -0.67 0.00 0.00 178.83 179.61 1wf9 h LEU 33 N 0.04 -0.10 -0.97 1.46 5.85 0.63 -2.11 115.31 120.12 1wf9 h LEU 33 Ca -0.00 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.99 1wf9 h LEU 33 Cb 0.79 0.03 -0.18 0.00 0.37 0.00 0.00 40.66 41.67 1wf9 h LEU 33 CO 0.06 -0.04 0.08 0.11 -0.34 0.00 0.00 178.44 178.31 1wf9 h LYS 34 N -0.18 0.03 -0.63 1.25 1.57 0.66 1.45 116.57 120.71 1wf9 h LYS 34 Ca -0.01 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1wf9 h LYS 34 Cb 0.09 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 1wf9 h LYS 34 CO 0.02 0.02 0.28 1.15 -0.57 0.00 0.00 179.45 180.35 1wf9 h THR 35 N 0.03 0.83 0.24 -0.16 2.02 -1.44 1.49 112.91 115.93 1wf9 h THR 35 Ca 0.60 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.60 1wf9 h THR 35 Cb 1.26 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1wf9 h THR 35 CO -0.88 0.09 -0.16 -0.07 0.37 0.00 0.00 175.52 174.87 1wf9 h LEU 36 N 0.50 -0.42 -1.49 2.58 3.38 0.27 0.86 115.31 120.99 1wf9 h LEU 36 Ca 0.31 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.45 1wf9 h LEU 36 Cb 0.33 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1wf9 h LEU 36 CO -0.27 -0.24 0.52 0.40 0.09 0.00 0.00 178.44 178.94 1wf9 h ILE 37 N -0.38 0.81 -0.26 1.22 5.03 -1.11 0.99 117.51 123.82 1wf9 h ILE 37 Ca -0.03 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1wf9 h ILE 37 Cb 0.31 0.27 -0.01 0.00 -3.03 0.00 0.00 36.82 34.36 1wf9 h ILE 37 CO 0.02 0.09 0.16 -0.61 -0.68 0.00 0.00 178.15 177.14 1wf9 h GLN 38 N 0.50 0.34 0.00 2.37 -0.00 0.26 0.96 115.11 119.54 1wf9 h GLN 38 Ca 0.39 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.89 1wf9 h GLN 38 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.17 1wf9 h GLN 38 CO -0.14 0.23 -0.97 -3.47 0.00 0.00 0.00 178.83 174.49 1wf9 n ASP 39 N -4.49 1.84 0.17 -0.69 2.03 0.14 0.12 116.55 115.67 1wf9 n ASP 39 Ca 0.01 0.52 -0.15 0.00 0.52 0.00 0.00 54.79 55.69 1wf9 n ASP 39 Cb 0.08 -0.91 -0.07 0.00 -0.72 0.00 0.00 41.12 39.50 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 -1.00 -0.63 0.00 -0.67 4.20 0.79 -0.78 115.11 117.01 1wf9 h GLN 40 Ca -0.19 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1wf9 h GLN 40 Cb 0.94 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1wf9 h GLN 40 CO -0.12 -0.42 0.00 1.28 -0.67 0.00 0.00 178.83 178.90 1wf9 n LEU 41 N -5.45 0.00 -3.47 1.46 4.77 0.33 -4.92 117.00 109.72 1wf9 n LEU 41 Ca -0.08 0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1wf9 n LEU 41 Cb 0.35 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1wf9 n LEU 41 CO 0.25 -0.01 0.03 0.00 -1.33 0.00 0.00 177.39 176.33 1wf9 n GLN 42 N -1.46 -4.66 -4.59 3.23 1.13 -0.30 -4.55 117.38 106.17 1wf9 n GLN 42 Ca 0.08 0.77 -0.23 0.00 -1.94 0.00 0.00 57.00 55.69 1wf9 n GLN 42 Cb 0.32 -5.57 -0.14 0.00 0.11 0.00 0.00 30.24 24.96 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 -3.45 1.26 0.04 5.09 1.01 0.33 0.12 121.20 125.60 1wf9 s ILE 43 Ca 0.16 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1wf9 s ILE 43 Cb -0.03 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1wf9 s ILE 43 CO 0.76 0.21 1.18 -2.16 0.00 0.00 0.00 174.94 174.93 1wf9 s PRO 44 N -0.76 4.43 0.17 2.79 0.04 -1.26 -3.89 135.00 136.52 1wf9 s PRO 44 Ca 0.05 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 1wf9 s PRO 44 Cb -0.07 -3.39 0.08 0.00 0.04 0.00 0.00 34.50 31.16 1wf9 s PRO 44 CO 0.00 -0.26 1.62 0.82 0.04 0.00 0.00 177.00 179.23 1wf9 h ILE 45 N 4.61 0.36 -0.67 0.56 2.04 -1.88 1.42 117.51 123.94 1wf9 h ILE 45 Ca -0.40 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.65 1wf9 h ILE 45 Cb 1.21 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1wf9 h ILE 45 CO 0.81 0.00 0.86 1.12 0.00 0.00 0.00 178.15 180.94 1wf9 h HIS 46 N -0.18 0.00 0.01 1.37 2.07 -2.00 0.42 115.15 116.85 1wf9 h HIS 46 Ca 0.18 0.00 -0.40 0.00 -2.85 0.00 0.00 60.37 57.30 1wf9 h HIS 46 Cb 0.47 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.39 1wf9 h HIS 46 CO -0.46 0.00 -2.38 0.09 -3.07 0.00 0.00 177.93 172.11 1wf9 n ASN 47 N -3.35 1.98 -4.67 3.10 4.13 0.30 -4.96 115.26 111.80 1wf9 n ASN 47 Ca 0.14 0.07 -0.44 0.00 1.68 0.00 0.00 54.58 56.04 1wf9 n ASN 47 Cb 1.08 -0.61 -0.02 0.00 -1.54 0.00 0.00 39.78 38.70 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 -3.64 1.97 -3.66 3.52 6.02 0.41 -3.96 117.38 118.04 1wf9 n GLN 48 Ca -0.46 0.69 -0.29 0.00 -0.01 0.00 0.00 57.00 56.92 1wf9 n GLN 48 Cb 0.95 -2.27 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 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 -0.69 0.53 0.14 5.09 2.01 0.86 -4.85 115.64 118.74 1wf9 s THR 49 Ca 0.61 -1.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 1wf9 s THR 49 Cb -0.62 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 1wf9 s THR 49 CO 0.57 -0.71 0.69 -0.76 -0.69 0.00 0.00 174.62 173.72 1wf9 s LEU 50 N 1.75 4.54 -0.01 4.42 1.43 -1.26 -0.99 118.68 128.55 1wf9 s LEU 50 Ca 0.10 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 1wf9 s LEU 50 Cb -0.17 -3.19 0.08 0.00 0.03 0.00 0.00 46.19 42.94 1wf9 s LEU 50 CO -0.28 0.21 0.73 -0.55 0.23 0.00 0.00 176.35 176.69 1wf9 s SER 51 N -1.21 -0.56 -0.51 2.29 0.15 -0.89 -4.17 113.70 108.80 1wf9 s SER 51 Ca 0.34 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.41 1wf9 s SER 51 Cb -0.21 0.50 0.53 0.00 -1.71 0.00 0.00 66.02 65.13 1wf9 s SER 51 CO 0.23 -0.66 1.94 0.35 1.20 0.00 0.00 173.24 176.30 1wf9 n THR 52 N 0.43 3.27 -3.82 6.45 -2.24 -1.26 -1.97 114.28 115.13 1wf9 n THR 52 Ca -0.16 -2.23 -0.12 0.00 -2.27 0.00 0.00 64.05 59.27 1wf9 n THR 52 Cb 0.60 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.33 -0.13 0.25 3.42 3.84 -1.26 -5.03 114.94 114.70 1wf9 s ASN 53 Ca 0.56 0.20 0.07 0.00 0.21 0.00 0.00 52.86 53.91 1wf9 s ASN 53 Cb 0.46 0.33 0.29 0.00 -0.55 0.00 0.00 41.25 41.78 1wf9 s ASN 53 CO 0.05 -0.16 1.58 0.08 -2.79 0.00 0.00 177.10 175.85 1wf9 h ARG 54 N 5.34 0.13 -0.79 0.43 -0.00 -2.00 -2.86 114.38 114.63 1wf9 h ARG 54 Ca -0.27 -0.09 0.23 0.00 -0.00 0.00 0.00 59.98 59.85 1wf9 h ARG 54 Cb 1.20 0.02 -0.03 0.00 -0.00 0.00 0.00 29.97 31.15 1wf9 h ARG 54 CO 0.39 0.71 0.65 -0.91 -0.00 0.00 0.00 179.97 180.81 1wf9 h ASN 55 N 0.09 0.00 -0.01 0.08 2.35 -1.99 1.48 115.58 117.58 1wf9 h ASN 55 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wf9 h ASN 55 Cb 1.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 1wf9 h ASN 55 CO 0.09 0.00 0.02 0.25 -1.65 0.00 0.00 177.43 176.14 1wf9 h LEU 56 N 0.00 0.00 0.00 1.61 7.12 -1.91 0.78 115.31 122.91 1wf9 h LEU 56 Ca 0.37 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.38 1wf9 h LEU 56 Cb 1.67 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 1wf9 h LEU 56 CO -0.00 0.00 0.00 0.18 -0.13 0.00 0.00 178.44 178.49 1wf9 n LEU 57 N -3.55 0.00 -0.07 2.25 4.77 0.51 -2.93 117.00 117.97 1wf9 n LEU 57 Ca -0.03 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1wf9 n LEU 57 Cb 0.10 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1wf9 n LEU 57 CO 0.24 -0.00 -0.97 0.18 -1.33 0.00 0.00 177.39 175.52 1wf9 n LEU 58 N -1.17 1.31 -4.64 2.23 4.77 0.27 -4.88 117.00 114.88 1wf9 n LEU 58 Ca 0.18 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 1wf9 n LEU 58 Cb 0.19 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1wf9 n LEU 58 CO 0.21 0.62 1.67 0.00 -1.33 0.00 0.00 177.39 178.56 1wf9 n ALA 59 N -2.85 1.63 -0.04 -1.18 0.00 -1.11 -4.80 120.51 112.18 1wf9 n ALA 59 Ca -0.31 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 1wf9 n ALA 59 Cb 1.08 -2.75 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 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 7.86 1.99 -2.68 0.00 4.76 -1.26 -4.88 118.16 123.94 1wf9 n LYS 60 Ca 0.23 -0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.39 1wf9 n LYS 60 Cb 0.42 -1.24 0.02 0.00 -1.84 0.00 0.00 35.03 32.39 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 -3.90 5.72 0.19 4.39 0.01 -1.26 -5.00 113.70 113.85 1wf9 s SER 61 Ca -0.04 0.51 0.05 0.00 1.31 0.00 0.00 55.95 57.77 1wf9 s SER 61 Cb 0.04 -1.62 0.09 0.00 0.21 0.00 0.00 66.02 64.73 1wf9 s SER 61 CO 0.38 -0.88 1.45 1.55 0.41 0.00 0.00 173.24 176.15 1wf9 h PRO 62 N 0.11 0.14 0.00 12.44 0.13 -2.00 -2.93 132.00 139.89 1wf9 h PRO 62 Ca -0.46 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 1wf9 h PRO 62 Cb 1.25 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wf9 h PRO 62 CO 0.59 0.86 -0.40 0.66 -0.23 0.00 0.00 178.00 179.48 1wf9 h SER 63 N 0.09 0.00 -0.05 1.44 4.64 -2.00 -3.09 113.55 114.57 1wf9 h SER 63 Ca -0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1wf9 h SER 63 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1wf9 h SER 63 CO 0.12 0.40 -0.06 -0.78 -0.87 0.00 0.00 176.83 175.63 1wf9 h ASP 64 N 0.00 0.14 -0.02 4.97 1.82 -1.93 -2.82 116.42 118.59 1wf9 h ASP 64 Ca -0.00 -0.51 0.01 0.00 -0.39 0.00 0.00 57.03 56.13 1wf9 h ASP 64 Cb 0.90 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.87 1wf9 h ASP 64 CO 0.05 0.62 0.34 -0.26 -1.61 0.00 0.00 179.24 178.39 1wf9 h PHE 65 N -0.34 0.00 0.00 0.28 0.04 -1.44 1.37 116.94 116.85 1wf9 h PHE 65 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1wf9 h PHE 65 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1wf9 h PHE 65 CO 0.10 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.09 1wf9 n LEU 66 N -2.92 0.53 0.24 1.54 4.77 -1.06 -2.11 117.00 117.98 1wf9 n LEU 66 Ca -0.02 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 1wf9 n LEU 66 Cb 0.39 -0.47 0.44 0.00 -2.33 0.00 0.00 43.42 41.45 1wf9 n LEU 66 CO 0.14 -0.32 0.90 0.00 -1.33 0.00 0.00 177.39 176.78 1wf9 h ALA 67 N 2.48 1.00 -3.33 -1.18 0.00 0.17 -3.39 119.26 115.02 1wf9 h ALA 67 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1wf9 h ALA 67 Cb 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.91 1wf9 h ALA 67 CO 0.00 0.00 -0.60 -0.06 0.00 0.00 0.00 179.25 178.59 1wf9 s PHE 68 N -3.42 3.62 -0.47 0.00 0.40 -0.90 -4.95 117.98 112.26 1wf9 s PHE 68 Ca 0.04 -2.66 0.07 0.00 -0.60 0.00 0.00 56.93 53.78 1wf9 s PHE 68 Cb 0.07 -3.11 0.39 0.00 0.51 0.00 0.00 43.02 40.88 1wf9 s PHE 68 CO 0.59 -0.95 1.01 0.25 0.70 0.00 0.00 175.22 176.83 1wf9 n THR 69 N 4.34 2.24 -0.06 0.64 -2.24 -1.26 -4.70 114.28 113.25 1wf9 n THR 69 Ca 0.01 -4.91 -0.02 0.00 -2.27 0.00 0.00 64.05 56.86 1wf9 n THR 69 Cb 0.41 -1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.29 0.71 -0.20 3.42 9.92 -1.26 -4.48 116.55 124.37 1wf9 n ASP 70 Ca 0.32 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.64 1wf9 n ASP 70 Cb 0.59 1.24 0.08 0.00 -0.64 0.00 0.00 41.12 42.40 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1wf9 n MET 71 N -2.48 0.95 0.14 -1.24 2.81 -1.26 -4.69 117.12 111.35 1wf9 n MET 71 Ca -0.20 -1.96 0.01 0.00 -1.81 0.00 0.00 57.70 53.74 1wf9 n MET 71 Cb 0.87 -1.13 0.12 0.00 -0.71 0.00 0.00 33.22 32.37 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 0.00 0.75 -2.17 3.04 0.00 -1.81 -3.44 119.26 115.63 1wf9 h ALA 72 Ca 0.00 -0.54 -0.56 0.00 0.00 0.00 0.00 54.91 53.80 1wf9 h ALA 72 Cb 1.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1wf9 h ALA 72 CO 0.00 0.75 0.98 0.34 0.00 0.00 0.00 179.25 181.32 1wf9 s ASP 73 N -6.58 6.81 0.40 0.00 2.15 -1.26 -4.87 116.67 113.32 1wf9 s ASP 73 Ca 0.01 1.85 0.27 0.00 0.43 0.00 0.00 52.55 55.11 1wf9 s ASP 73 Cb 0.10 -2.54 0.88 0.00 -0.30 0.00 0.00 42.92 41.07 1wf9 s ASP 73 CO 0.75 -0.86 1.78 1.55 -0.17 0.00 0.00 175.17 178.22 1wf9 h PRO 74 N 8.83 0.00 -0.28 4.34 0.13 -1.93 -2.43 132.00 140.66 1wf9 h PRO 74 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wf9 h PRO 74 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1wf9 h PRO 74 CO 0.97 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.83 1wf9 n ASN 75 N -2.79 2.34 -4.79 1.44 3.02 -1.26 -2.42 115.26 110.80 1wf9 n ASN 75 Ca 0.03 -1.85 -0.39 0.00 -0.03 0.00 0.00 54.58 52.34 1wf9 n ASN 75 Cb 0.38 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.45 4.49 -0.01 3.41 2.96 -0.91 -4.92 118.68 122.25 1wf9 s LEU 76 Ca 0.34 1.29 -0.07 0.00 -0.22 0.00 0.00 54.13 55.47 1wf9 s LEU 76 Cb 0.19 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 1wf9 s LEU 76 CO 0.27 0.19 0.25 -0.13 -1.32 0.00 0.00 176.35 175.61 1wf9 s ARG 77 N -0.73 3.57 0.56 1.98 0.52 -1.26 0.25 118.95 123.83 1wf9 s ARG 77 Ca 0.31 -0.08 0.35 0.00 -0.52 0.00 0.00 55.73 55.79 1wf9 s ARG 77 Cb -0.20 -3.09 1.92 0.00 0.52 0.00 0.00 34.95 34.10 1wf9 s ARG 77 CO 0.20 0.66 2.08 -0.84 0.02 0.00 0.00 175.30 177.42 1wf9 h ILE 78 N 3.13 0.00 -0.31 1.52 3.07 -1.76 0.13 117.51 123.29 1wf9 h ILE 78 Ca -0.50 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 65.83 1wf9 h ILE 78 Cb 1.20 0.78 -0.02 0.00 -0.27 0.00 0.00 36.82 38.52 1wf9 h ILE 78 CO 0.65 0.00 -0.14 -1.28 -1.05 0.00 0.00 178.15 176.34 1wf9 h SER 79 N 0.00 0.52 -0.73 2.16 0.87 -1.86 0.45 113.55 114.96 1wf9 h SER 79 Ca 0.00 -0.14 0.21 0.00 -1.23 0.00 0.00 61.79 60.63 1wf9 h SER 79 Cb 0.12 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1wf9 h SER 79 CO 0.00 0.69 0.65 -1.28 -0.53 0.00 0.00 176.83 176.36 1wf9 h SER 80 N 0.49 0.00 0.00 6.23 0.87 -1.13 0.46 113.55 120.48 1wf9 h SER 80 Ca 0.09 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1wf9 h SER 80 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1wf9 h SER 80 CO 0.03 0.00 -1.71 0.18 -0.53 0.00 0.00 176.83 174.80 1wf9 n LEU 81 N -3.87 0.00 -1.68 2.23 4.77 -0.82 -5.04 117.00 112.59 1wf9 n LEU 81 Ca 0.15 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1wf9 n LEU 81 Cb 0.91 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1wf9 n LEU 81 CO 0.32 0.04 0.02 -3.20 -1.33 0.00 0.00 177.39 173.23 1wf9 n ASN 82 N -2.07 -2.54 -4.50 -1.43 5.15 0.16 -5.03 115.26 105.00 1wf9 n ASN 82 Ca -0.05 -0.05 -0.40 0.00 -0.60 0.00 0.00 54.58 53.48 1wf9 n ASN 82 Cb 0.45 -1.18 -0.11 0.00 -0.53 0.00 0.00 39.78 38.41 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wf9 s LEU 83 N -2.84 4.47 0.37 1.20 1.43 -0.93 -4.97 118.68 117.42 1wf9 s LEU 83 Ca 0.03 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1wf9 s LEU 83 Cb -0.00 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 1wf9 s LEU 83 CO 0.08 -0.24 -0.04 0.00 0.23 0.00 0.00 176.35 176.38 1wf9 s ALA 84 N 1.69 3.02 -0.89 4.21 0.00 -1.26 -4.83 121.76 123.70 1wf9 s ALA 84 Ca 0.06 -2.19 -0.23 0.00 0.00 0.00 0.00 51.96 49.60 1wf9 s ALA 84 Cb -0.17 0.10 -0.22 0.00 0.00 0.00 0.00 23.12 22.82 1wf9 s ALA 84 CO 0.09 -0.04 2.44 1.58 0.00 0.00 0.00 175.76 179.84 1wf9 n HIS 85 N -0.87 0.61 0.00 0.00 -0.00 -1.26 0.16 115.22 113.86 1wf9 n HIS 85 Ca -0.05 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1wf9 n HIS 85 Cb 0.65 -1.87 0.00 0.00 -0.12 0.00 0.00 29.99 28.65 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 6.15 1.25 3.21 1.57 0.00 -1.08 -4.94 105.19 111.36 1wf9 n GLY 86 Ca 0.59 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.88 -4.65 1.61 3.41 0.42 -4.60 113.62 105.93 1wf9 n SER 87 Ca 0.00 0.24 -0.32 0.00 -0.26 0.00 0.00 58.87 58.53 1wf9 n SER 87 Cb 0.00 -0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 62.88 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 -2.86 2.61 0.00 4.33 -2.45 -1.26 -2.74 119.30 116.94 1wf9 s MET 88 Ca 0.49 -0.73 -0.19 0.00 -1.25 0.00 0.00 55.69 54.01 1wf9 s MET 88 Cb -0.18 -2.56 0.04 0.00 1.25 0.00 0.00 34.83 33.37 1wf9 s MET 88 CO 0.74 0.59 0.41 0.54 1.05 0.00 0.00 175.02 178.35 1wf9 s VAL 89 N -1.13 0.05 0.00 10.11 0.11 -0.30 -4.91 120.40 124.34 1wf9 s VAL 89 Ca 0.21 -0.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1wf9 s VAL 89 Cb -0.11 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1wf9 s VAL 89 CO 0.12 -0.22 -0.26 -0.31 -3.33 0.00 0.00 175.10 171.10 1wf9 s TYR 90 N -1.80 2.28 -0.13 1.54 2.02 -0.83 0.21 117.35 120.63 1wf9 s TYR 90 Ca -0.10 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1wf9 s TYR 90 Cb -0.02 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1wf9 s TYR 90 CO 0.02 0.02 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.73 1wf9 s LEU 91 N -0.84 1.57 -0.17 -1.29 2.96 0.34 -2.10 118.68 119.15 1wf9 s LEU 91 Ca 0.10 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1wf9 s LEU 91 Cb -0.10 -1.08 0.02 0.00 0.50 0.00 0.00 46.19 45.54 1wf9 s LEU 91 CO 0.00 -0.06 -0.18 0.00 -1.32 0.00 0.00 176.35 174.79 1wf9 s ALA 92 N 1.44 2.17 0.11 5.97 0.00 -0.16 -3.94 121.76 127.35 1wf9 s ALA 92 Ca 0.03 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1wf9 s ALA 92 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1wf9 s ALA 92 CO -0.08 -0.35 -0.10 1.52 0.00 0.00 0.00 175.76 176.74 1wf9 s TYR 93 N 1.35 1.12 -0.06 0.00 1.13 -1.25 -0.10 117.35 119.53 1wf9 s TYR 93 Ca 0.05 -0.67 -0.17 0.00 -1.41 0.00 0.00 57.07 54.87 1wf9 s TYR 93 Cb -0.13 -0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 40.08 1wf9 s TYR 93 CO -0.12 0.02 0.47 -1.83 -2.51 0.00 0.00 175.55 171.58 1wf9 s GLU 94 N -2.94 4.22 0.51 -3.49 -1.05 -1.26 -4.93 118.70 109.76 1wf9 s GLU 94 Ca 0.08 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 1wf9 s GLU 94 Cb -0.02 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 1wf9 s GLU 94 CO 0.00 0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.97 1wf9 n GLY 95 N 2.71 -2.05 2.93 -3.83 0.00 -1.26 -4.93 105.19 98.75 1wf9 n GLY 95 Ca -0.09 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.28 -0.91 -0.01 1.61 1.02 -1.26 -5.09 120.64 114.72 1wf9 n GLU 96 Ca 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 1wf9 n GLU 96 Cb 0.10 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1wf9 n GLU 96 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wf9 n ARG 97 N -3.09 0.67 -3.28 3.49 1.74 -1.26 -4.97 116.66 109.96 1wf9 n ARG 97 Ca 0.13 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.06 1wf9 n ARG 97 Cb 0.44 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 1wf9 n ARG 97 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wf9 n THR 98 N -0.72 0.00 -2.82 0.55 -2.24 0.12 -5.00 114.28 104.17 1wf9 n THR 98 Ca 0.00 -1.17 -0.39 0.00 -2.27 0.00 0.00 64.05 60.21 1wf9 n THR 98 Cb 0.00 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.00 4.17 1.05 2.28 1.01 -1.26 -4.87 121.20 121.58 1wf9 s ILE 99 Ca 0.03 1.94 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 1wf9 s ILE 99 Cb 0.00 -4.23 0.22 0.00 0.01 0.00 0.00 42.46 38.46 1wf9 s ILE 99 CO 0.02 0.46 1.09 0.00 0.00 0.00 0.00 174.94 176.50 1wf9 s ARG 100 N -1.29 -0.03 -0.46 2.79 1.70 -1.26 -5.00 118.95 115.39 1wf9 s ARG 100 Ca 0.41 1.22 0.03 0.00 -0.47 0.00 0.00 55.73 56.92 1wf9 s ARG 100 Cb -0.24 -1.63 0.12 0.00 -0.57 0.00 0.00 34.95 32.63 1wf9 s ARG 100 CO 0.29 -3.24 0.21 0.20 -1.08 0.00 0.00 175.30 171.68 1wf9 s GLY 101 N -2.54 2.11 1.01 3.88 0.00 -1.26 -5.11 107.32 105.42 1wf9 s GLY 101 Ca 0.68 -2.92 -0.11 0.00 0.00 0.00 0.00 44.72 42.37 1wf9 s GLY 101 CO 0.62 1.15 1.09 -0.45 0.00 0.00 0.00 173.10 175.51 1wf9 s SER 102 N 0.15 2.17 0.00 1.64 0.15 -1.26 -4.94 113.70 111.60 1wf9 s SER 102 Ca 0.16 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.67 1wf9 s SER 102 Cb -0.24 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wf9 s SER 102 CO -0.02 -3.52 0.00 0.61 1.20 0.00 0.00 173.24 171.51 1wf9 n GLY 103 N 0.34 0.39 3.59 9.45 0.00 -1.26 -5.09 105.19 112.60 1wf9 n GLY 103 Ca 0.08 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 3.41 -0.28 1.61 0.04 -1.26 -4.98 135.00 133.54 1wf9 s PRO 104 Ca 0.00 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 1wf9 s PRO 104 Cb 0.00 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1wf9 s PRO 104 CO 0.00 -1.78 0.32 -1.54 0.04 0.00 0.00 177.00 174.03 1wf9 s SER 105 N 4.42 6.18 0.19 6.66 1.04 -1.26 -5.05 113.70 125.87 1wf9 s SER 105 Ca 0.59 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.88 1wf9 s SER 105 Cb -0.13 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 1wf9 s SER 105 CO 0.29 -0.15 1.22 -0.94 0.98 0.00 0.00 173.24 174.64 1wf9 s SER 106 N 1.68 7.05 0.00 7.02 1.04 -1.26 -5.35 113.70 123.89 1wf9 s SER 106 Ca 0.12 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1wf9 s SER 106 Cb -0.16 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1wf9 s SER 106 CO 0.10 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.53