#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 0.34 0.18 1.61 7.64 -1.26 -4.83 113.62 117.29 1wf9 n SER 2 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1wf9 n SER 2 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1wf9 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wf9 n SER 3 N 1.16 -2.57 0.00 6.43 7.64 -1.26 -5.15 113.62 119.87 1wf9 n SER 3 Ca 0.11 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1wf9 n SER 3 Cb 0.35 2.50 0.00 0.00 -1.01 0.00 0.00 64.21 66.05 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 -0.61 3.75 3.88 0.23 0.00 -1.26 -5.15 105.19 106.02 1wf9 n GLY 4 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 1.39 6.40 -0.17 1.61 0.01 -1.26 -5.07 113.70 116.61 1wf9 s SER 5 Ca 0.00 1.14 -0.03 0.00 1.31 0.00 0.00 55.95 58.36 1wf9 s SER 5 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1wf9 s SER 5 CO 0.00 -0.54 -0.05 -0.55 0.41 0.00 0.00 173.24 172.51 1wf9 s SER 6 N -3.62 4.55 0.00 2.44 0.15 -1.26 -4.95 113.70 111.01 1wf9 s SER 6 Ca 0.51 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1wf9 s SER 6 Cb -0.10 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1wf9 s SER 6 CO 0.39 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1wf9 n GLY 7 N 3.88 -0.60 2.97 9.45 0.00 -1.26 -5.14 105.19 114.49 1wf9 n GLY 7 Ca -0.18 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 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 0.68 0.04 2.61 2.01 -1.24 -5.04 115.64 114.69 1wf9 s THR 8 Ca 0.00 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 61.80 1wf9 s THR 8 Cb 0.00 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1wf9 s THR 8 CO 0.00 0.22 -0.25 -0.32 -0.69 0.00 0.00 174.62 173.58 1wf9 s MET 9 N 0.30 1.76 0.11 4.92 1.75 -1.26 -1.00 119.30 125.88 1wf9 s MET 9 Ca -0.04 -1.06 0.04 0.00 -1.25 0.00 0.00 55.69 53.38 1wf9 s MET 9 Cb -0.09 -1.90 -0.04 0.00 2.84 0.00 0.00 34.83 35.64 1wf9 s MET 9 CO 0.00 0.49 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.25 1wf9 s LEU 10 N -1.15 2.42 -0.31 4.11 1.43 -0.78 -3.35 118.68 121.05 1wf9 s LEU 10 Ca 0.11 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1wf9 s LEU 10 Cb -0.10 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 1wf9 s LEU 10 CO 0.02 -0.25 0.16 -0.13 0.23 0.00 0.00 176.35 176.38 1wf9 s ARG 11 N -2.90 3.47 -0.40 1.70 0.52 -1.25 -1.90 118.95 118.20 1wf9 s ARG 11 Ca 0.08 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.54 1wf9 s ARG 11 Cb -0.02 -3.60 0.04 0.00 0.52 0.00 0.00 34.95 31.89 1wf9 s ARG 11 CO 0.01 -0.37 0.24 0.08 0.02 0.00 0.00 175.30 175.28 1wf9 s VAL 12 N 1.65 4.66 -0.13 3.52 1.01 0.49 -0.63 120.40 130.97 1wf9 s VAL 12 Ca 0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1wf9 s VAL 12 Cb -0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1wf9 s VAL 12 CO 0.07 -0.33 0.27 -0.60 0.00 0.00 0.00 175.10 174.52 1wf9 s ARG 13 N 1.55 4.03 0.52 2.72 6.06 0.25 0.59 118.95 134.68 1wf9 s ARG 13 Ca 0.03 0.08 0.07 0.00 -2.50 0.00 0.00 55.73 53.41 1wf9 s ARG 13 Cb -0.20 -3.34 0.04 0.00 0.06 0.00 0.00 34.95 31.50 1wf9 s ARG 13 CO 0.06 0.43 0.48 -1.54 -2.50 0.00 0.00 175.30 172.24 1wf9 s SER 14 N -0.11 4.82 0.31 -2.12 1.04 0.35 0.24 113.70 118.24 1wf9 s SER 14 Ca 0.17 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.58 1wf9 s SER 14 Cb -0.13 0.18 0.80 0.00 0.10 0.00 0.00 66.02 66.97 1wf9 s SER 14 CO 0.05 -1.06 1.57 0.08 0.98 0.00 0.00 173.24 174.86 1wf9 h ARG 15 N 0.68 0.01 -0.10 4.02 0.11 -1.87 -3.08 114.38 114.15 1wf9 h ARG 15 Ca -0.36 -0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.54 1wf9 h ARG 15 Cb 1.29 -0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.14 1wf9 h ARG 15 CO 0.54 0.01 -0.56 -3.47 0.10 0.00 0.00 179.97 176.58 1wf9 n ASP 16 N -5.47 -0.37 -3.42 0.08 -0.08 -1.26 -4.99 116.55 101.04 1wf9 n ASP 16 Ca 0.24 -2.10 -0.09 0.00 -1.51 0.00 0.00 54.79 51.33 1wf9 n ASP 16 Cb 0.80 0.22 -0.08 0.00 2.34 0.00 0.00 41.12 44.40 1wf9 n ASP 16 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1wf9 s GLY 17 N -1.85 -0.39 -0.18 0.27 0.00 -1.16 -5.13 107.32 98.87 1wf9 s GLY 17 Ca 0.14 1.03 -0.16 0.00 0.00 0.00 0.00 44.72 45.73 1wf9 s GLY 17 CO -0.09 2.59 0.40 -2.27 0.00 0.00 0.00 173.10 173.73 1wf9 s LEU 18 N 2.55 4.18 0.17 0.66 0.20 -1.26 0.13 118.68 125.32 1wf9 s LEU 18 Ca 0.10 0.56 -0.01 0.00 0.69 0.00 0.00 54.13 55.47 1wf9 s LEU 18 Cb -0.15 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 1wf9 s LEU 18 CO -0.15 -0.05 0.09 -1.61 -0.29 0.00 0.00 176.35 174.35 1wf9 s GLU 19 N 1.11 1.10 0.08 1.98 2.02 0.20 -4.97 118.70 120.22 1wf9 s GLU 19 Ca 0.20 -1.56 0.07 0.00 0.02 0.00 0.00 54.97 53.70 1wf9 s GLU 19 Cb -0.15 0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.27 1wf9 s GLU 19 CO 0.08 -0.32 -0.19 -0.98 0.02 0.00 0.00 175.26 173.86 1wf9 s ARG 20 N -4.10 1.09 0.02 1.61 1.70 -1.26 0.19 118.95 118.19 1wf9 s ARG 20 Ca 0.33 -1.05 0.01 0.00 -0.47 0.00 0.00 55.73 54.54 1wf9 s ARG 20 Cb 0.07 -1.26 -0.01 0.00 -0.57 0.00 0.00 34.95 33.18 1wf9 s ARG 20 CO 0.08 0.30 -0.05 0.08 -1.08 0.00 0.00 175.30 174.62 1wf9 s VAL 21 N -1.10 0.37 -0.13 4.99 1.01 -0.80 -4.90 120.40 119.84 1wf9 s VAL 21 Ca 0.05 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1wf9 s VAL 21 Cb -0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1wf9 s VAL 21 CO 0.03 -0.20 0.31 -0.55 0.00 0.00 0.00 175.10 174.69 1wf9 s SER 22 N -0.92 6.50 0.00 3.32 0.15 -1.26 -1.87 113.70 119.62 1wf9 s SER 22 Ca -0.06 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1wf9 s SER 22 Cb -0.06 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1wf9 s SER 22 CO -0.00 0.16 0.00 1.33 1.20 0.00 0.00 173.24 175.93 1wf9 n VAL 23 N 3.16 0.00 -0.04 4.45 0.24 -0.17 -4.98 118.33 120.99 1wf9 n VAL 23 Ca -0.13 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.12 1wf9 n VAL 23 Cb 0.52 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.80 1.54 0.00 -1.34 9.92 -1.26 -3.70 116.55 120.91 1wf9 n ASP 24 Ca 0.00 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1wf9 n ASP 24 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 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 2.20 -0.81 0.19 0.44 0.00 -1.26 -4.34 105.19 101.61 1wf9 n GLY 25 Ca -0.08 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.97 132.00 128.79 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 0.31 0.20 1.12 -0.23 0.00 0.00 178.00 179.40 1wf9 h HIS 27 N 0.00 0.00 -3.42 1.56 2.07 -2.01 -3.39 115.15 109.97 1wf9 h HIS 27 Ca -0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.01 1wf9 h HIS 27 Cb 0.99 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.97 1wf9 h HIS 27 CO 0.00 0.00 -0.01 0.96 -3.07 0.00 0.00 177.93 175.81 1wf9 s ILE 28 N -3.89 4.92 0.31 6.12 -5.25 -1.12 -5.06 121.20 117.22 1wf9 s ILE 28 Ca -0.03 0.26 0.07 0.00 -0.99 0.00 0.00 60.65 59.96 1wf9 s ILE 28 Cb 0.08 -3.76 -0.02 0.00 2.95 0.00 0.00 42.46 41.72 1wf9 s ILE 28 CO 0.27 -0.48 0.35 0.42 -1.79 0.00 0.00 174.94 173.71 1wf9 s THR 29 N -2.29 4.14 0.27 8.37 -4.23 -1.26 -3.67 115.64 116.97 1wf9 s THR 29 Ca 0.47 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1wf9 s THR 29 Cb -0.10 -3.40 0.27 0.00 1.34 0.00 0.00 72.50 70.61 1wf9 s THR 29 CO 0.33 -0.22 1.68 0.58 -0.54 0.00 0.00 174.62 176.44 1wf9 h VAL 30 N 1.16 0.45 -0.55 2.29 2.07 -0.83 0.28 116.25 121.12 1wf9 h VAL 30 Ca -0.47 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.06 1wf9 h VAL 30 Cb 1.25 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 1wf9 h VAL 30 CO 0.57 0.06 -0.09 0.77 0.02 0.00 0.00 177.57 178.89 1wf9 h SER 31 N 0.31 -0.43 0.26 0.57 4.64 -1.79 0.80 113.55 117.90 1wf9 h SER 31 Ca 0.50 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.95 1wf9 h SER 31 Cb 0.94 0.31 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1wf9 h SER 31 CO -0.55 -0.16 -0.13 1.56 -0.87 0.00 0.00 176.83 176.68 1wf9 h GLN 32 N 0.03 0.00 0.23 4.77 4.20 -0.78 -1.25 115.11 122.32 1wf9 h GLN 32 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1wf9 h GLN 32 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wf9 h GLN 32 CO -0.54 0.13 -0.11 1.25 -0.67 0.00 0.00 178.83 178.90 1wf9 h LEU 33 N 0.00 -0.27 -0.55 1.46 6.46 0.14 -2.84 115.31 119.71 1wf9 h LEU 33 Ca -0.00 -0.17 0.11 0.00 -0.12 0.00 0.00 57.88 57.70 1wf9 h LEU 33 Cb 0.30 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.19 1wf9 h LEU 33 CO 0.02 0.25 -0.10 0.11 -0.62 0.00 0.00 178.44 178.09 1wf9 h LYS 34 N -1.00 0.03 -0.70 1.25 1.57 0.13 0.14 116.57 117.98 1wf9 h LYS 34 Ca -0.03 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1wf9 h LYS 34 Cb 0.42 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.62 1wf9 h LYS 34 CO 0.05 0.02 0.15 1.15 -0.57 0.00 0.00 179.45 180.25 1wf9 h THR 35 N 0.03 0.53 0.00 -0.16 2.02 -1.31 1.83 112.91 115.85 1wf9 h THR 35 Ca 0.27 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1wf9 h THR 35 Cb 0.42 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1wf9 h THR 35 CO -0.54 0.05 0.00 0.18 0.37 0.00 0.00 175.52 175.57 1wf9 n LEU 36 N -5.16 0.00 -0.24 2.58 4.77 0.44 -0.82 117.00 118.57 1wf9 n LEU 36 Ca 0.13 0.91 0.20 0.00 -0.03 0.00 0.00 56.01 57.22 1wf9 n LEU 36 Cb 0.43 -0.41 0.53 0.00 -2.33 0.00 0.00 43.42 41.63 1wf9 n LEU 36 CO 0.13 -0.41 1.23 0.40 -1.33 0.00 0.00 177.39 177.40 1wf9 h ILE 37 N 0.00 0.66 -0.23 -0.08 2.04 -1.05 0.84 117.51 119.70 1wf9 h ILE 37 Ca 0.00 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1wf9 h ILE 37 Cb 0.00 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1wf9 h ILE 37 CO 0.00 0.07 0.16 -0.61 0.00 0.00 0.00 178.15 177.77 1wf9 h GLN 38 N 0.37 0.09 0.00 2.37 -0.00 0.34 0.54 115.11 118.82 1wf9 h GLN 38 Ca 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.11 1wf9 h GLN 38 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.68 1wf9 h GLN 38 CO -0.16 0.06 -0.44 -3.47 0.00 0.00 0.00 178.83 174.82 1wf9 n ASP 39 N -4.49 1.33 -0.10 -0.69 2.03 0.26 0.14 116.55 115.03 1wf9 n ASP 39 Ca 0.02 0.48 -0.11 0.00 0.52 0.00 0.00 54.79 55.70 1wf9 n ASP 39 Cb 0.24 -0.75 -0.05 0.00 -0.72 0.00 0.00 41.12 39.83 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 -0.73 -0.36 0.00 -0.67 4.20 -0.59 0.31 115.11 117.27 1wf9 h GLN 40 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wf9 h GLN 40 Cb 0.44 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1wf9 h GLN 40 CO 0.00 -0.24 0.00 -0.07 -0.67 0.00 0.00 178.83 177.85 1wf9 h LEU 41 N -0.37 0.00 -2.20 1.46 3.38 -0.12 -3.48 115.31 113.98 1wf9 h LEU 41 Ca 0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1wf9 h LEU 41 Cb 0.60 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.48 1wf9 h LEU 41 CO -0.54 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.38 1wf9 n GLN 42 N -2.66 -3.18 -4.49 1.13 1.13 0.11 -4.69 117.38 104.74 1wf9 n GLN 42 Ca 0.04 0.64 -0.21 0.00 -1.94 0.00 0.00 57.00 55.53 1wf9 n GLN 42 Cb 0.43 -4.87 -0.14 0.00 0.11 0.00 0.00 30.24 25.77 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 -3.28 1.06 0.16 5.09 1.01 0.37 -0.78 121.20 124.83 1wf9 s ILE 43 Ca 0.19 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1wf9 s ILE 43 Cb -0.02 -0.92 -0.07 0.00 0.01 0.00 0.00 42.46 41.45 1wf9 s ILE 43 CO 0.55 0.17 1.12 -2.16 0.00 0.00 0.00 174.94 174.62 1wf9 s PRO 44 N -0.66 4.56 0.14 2.79 0.04 -1.26 -3.89 135.00 136.71 1wf9 s PRO 44 Ca 0.04 1.74 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1wf9 s PRO 44 Cb -0.06 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1wf9 s PRO 44 CO 0.00 0.00 1.60 0.82 0.04 0.00 0.00 177.00 179.46 1wf9 h ILE 45 N 3.86 0.22 -0.87 0.56 2.04 -1.88 1.88 117.51 123.31 1wf9 h ILE 45 Ca -0.44 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.67 1wf9 h ILE 45 Cb 1.21 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1wf9 h ILE 45 CO 0.74 0.00 0.98 1.12 0.00 0.00 0.00 178.15 180.98 1wf9 h HIS 46 N -0.44 0.00 0.02 1.37 2.07 -2.00 0.46 115.15 116.62 1wf9 h HIS 46 Ca 0.09 0.00 -0.39 0.00 -2.85 0.00 0.00 60.37 57.22 1wf9 h HIS 46 Cb 0.58 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.51 1wf9 h HIS 46 CO -0.44 0.00 -2.22 0.09 -3.07 0.00 0.00 177.93 172.29 1wf9 n ASN 47 N -3.42 1.97 -4.67 3.10 4.13 0.20 -4.94 115.26 111.62 1wf9 n ASN 47 Ca 0.19 0.21 -0.45 0.00 1.68 0.00 0.00 54.58 56.21 1wf9 n ASN 47 Cb 1.25 -0.75 -0.03 0.00 -1.54 0.00 0.00 39.78 38.72 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 -3.93 2.09 -3.65 3.52 6.02 0.58 -3.83 117.38 118.18 1wf9 n GLN 48 Ca -0.45 0.75 -0.29 0.00 -0.01 0.00 0.00 57.00 56.99 1wf9 n GLN 48 Cb 0.90 -2.45 -0.15 0.00 1.02 0.00 0.00 30.24 29.56 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 0.25 0.47 0.22 5.09 2.01 0.54 -4.82 115.64 119.39 1wf9 s THR 49 Ca 0.71 -1.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1wf9 s THR 49 Cb -0.65 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 70.42 1wf9 s THR 49 CO 0.46 -0.68 0.71 -0.76 -0.69 0.00 0.00 174.62 173.66 1wf9 s LEU 50 N 1.83 4.34 -0.26 4.42 1.43 -1.26 -1.57 118.68 127.61 1wf9 s LEU 50 Ca 0.09 1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 54.32 1wf9 s LEU 50 Cb -0.17 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.58 1wf9 s LEU 50 CO -0.29 0.04 0.82 -0.55 0.23 0.00 0.00 176.35 176.59 1wf9 s SER 51 N -1.66 -0.65 -0.26 2.29 0.15 -1.19 -4.33 113.70 108.04 1wf9 s SER 51 Ca 0.43 1.22 0.01 0.00 0.70 0.00 0.00 55.95 58.31 1wf9 s SER 51 Cb -0.16 1.23 0.31 0.00 -1.71 0.00 0.00 66.02 65.69 1wf9 s SER 51 CO 0.21 -0.24 1.61 0.35 1.20 0.00 0.00 173.24 176.37 1wf9 n THR 52 N 2.43 2.30 -3.68 6.45 -2.24 -1.26 -2.91 114.28 115.37 1wf9 n THR 52 Ca -0.14 -1.16 -0.25 0.00 -2.27 0.00 0.00 64.05 60.23 1wf9 n THR 52 Cb 0.55 -0.88 -0.17 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.11 2.14 0.66 3.42 2.47 -1.26 -4.99 114.94 117.27 1wf9 s ASN 53 Ca 0.30 -0.45 0.27 0.00 0.42 0.00 0.00 52.86 53.40 1wf9 s ASN 53 Cb 0.25 -0.35 1.48 0.00 -1.45 0.00 0.00 41.25 41.18 1wf9 s ASN 53 CO 0.04 -0.29 1.83 0.08 -3.72 0.00 0.00 177.10 175.04 1wf9 h ARG 54 N 8.36 0.00 0.00 0.43 0.11 -2.00 0.73 114.38 122.00 1wf9 h ARG 54 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1wf9 h ARG 54 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1wf9 h ARG 54 CO 0.27 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 179.43 1wf9 h ASN 55 N 0.00 0.00 -0.78 0.08 2.35 -1.96 -0.84 115.58 114.42 1wf9 h ASN 55 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wf9 h ASN 55 Cb 0.77 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 1wf9 h ASN 55 CO 0.00 0.00 0.50 0.25 -1.65 0.00 0.00 177.43 176.53 1wf9 h LEU 56 N 0.00 0.92 -1.87 1.61 5.85 0.11 0.22 115.31 122.15 1wf9 h LEU 56 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1wf9 h LEU 56 Cb 0.08 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1wf9 h LEU 56 CO 0.00 0.68 0.00 -0.07 -0.34 0.00 0.00 178.44 178.71 1wf9 h LEU 57 N 1.07 0.00 0.05 2.25 3.38 -1.34 -1.84 115.31 118.88 1wf9 h LEU 57 Ca 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1wf9 h LEU 57 Cb -0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wf9 h LEU 57 CO -0.06 0.00 -0.32 -0.07 0.09 0.00 0.00 178.44 178.08 1wf9 h LEU 58 N 0.00 0.20 -8.91 1.67 3.38 -0.68 -3.45 115.31 107.51 1wf9 h LEU 58 Ca 0.00 -0.95 -0.81 0.00 0.09 0.00 0.00 57.88 56.21 1wf9 h LEU 58 Cb 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wf9 h LEU 58 CO 0.00 1.13 0.86 0.00 0.09 0.00 0.00 178.44 180.52 1wf9 n ALA 59 N -2.62 -0.70 -0.04 1.53 0.00 -0.70 -4.79 120.51 113.20 1wf9 n ALA 59 Ca -0.11 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1wf9 n ALA 59 Cb 0.60 -2.06 -0.08 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 5.03 1.94 -2.82 0.00 4.76 -1.26 -4.90 118.16 120.91 1wf9 n LYS 60 Ca 0.33 -0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.54 1wf9 n LYS 60 Cb 0.01 -1.27 0.06 0.00 -1.84 0.00 0.00 35.03 31.99 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 -4.12 5.06 -0.05 4.39 0.01 -1.26 -5.04 113.70 112.68 1wf9 s SER 61 Ca -0.05 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 1wf9 s SER 61 Cb 0.04 -0.26 -0.23 0.00 0.21 0.00 0.00 66.02 65.78 1wf9 s SER 61 CO 0.44 -1.31 1.05 1.55 0.41 0.00 0.00 173.24 175.37 1wf9 h PRO 62 N 0.06 0.13 -0.91 12.44 0.13 -2.00 -3.09 132.00 138.76 1wf9 h PRO 62 Ca -0.36 -0.12 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1wf9 h PRO 62 Cb 1.28 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1wf9 h PRO 62 CO 0.44 0.85 0.58 0.66 -0.23 0.00 0.00 178.00 180.30 1wf9 h SER 63 N -0.55 0.81 -0.39 1.44 4.64 -1.99 -0.50 113.55 117.01 1wf9 h SER 63 Ca -0.02 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1wf9 h SER 63 Cb 0.90 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1wf9 h SER 63 CO 0.03 0.47 0.19 -0.78 -0.87 0.00 0.00 176.83 175.87 1wf9 h ASP 64 N 0.89 0.28 0.30 4.97 1.82 -1.97 0.56 116.42 123.27 1wf9 h ASP 64 Ca 0.43 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1wf9 h ASP 64 Cb 0.44 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 1wf9 h ASP 64 CO -0.19 0.20 -0.01 -0.26 -1.61 0.00 0.00 179.24 177.37 1wf9 h PHE 65 N 0.39 0.00 0.00 0.28 0.04 -1.03 0.15 116.94 116.77 1wf9 h PHE 65 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1wf9 h PHE 65 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1wf9 h PHE 65 CO -0.10 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.90 1wf9 n LEU 66 N -3.20 0.49 0.09 1.54 4.77 0.17 -2.71 117.00 118.15 1wf9 n LEU 66 Ca -0.02 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1wf9 n LEU 66 Cb 0.15 -0.44 0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1wf9 n LEU 66 CO 0.23 -0.22 0.53 0.00 -1.33 0.00 0.00 177.39 176.60 1wf9 h ALA 67 N 2.59 0.93 -1.82 -1.18 0.00 -0.47 -3.39 119.26 115.92 1wf9 h ALA 67 Ca 0.00 -0.50 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 1wf9 h ALA 67 Cb 0.55 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.08 1wf9 h ALA 67 CO 0.00 0.69 0.31 -0.06 0.00 0.00 0.00 179.25 180.19 1wf9 s PHE 68 N -3.88 2.86 -0.41 0.00 0.08 -1.10 -4.88 117.98 110.66 1wf9 s PHE 68 Ca -0.04 -0.69 0.09 0.00 0.12 0.00 0.00 56.93 56.42 1wf9 s PHE 68 Cb 0.12 -4.08 0.43 0.00 -0.57 0.00 0.00 43.02 38.93 1wf9 s PHE 68 CO 0.79 -1.41 1.05 0.25 -0.10 0.00 0.00 175.22 175.79 1wf9 n THR 69 N 5.75 1.91 -0.08 0.64 -2.24 -1.26 -4.67 114.28 114.32 1wf9 n THR 69 Ca -0.06 -4.35 -0.08 0.00 -2.27 0.00 0.00 64.05 57.28 1wf9 n THR 69 Cb 0.44 -0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 67.91 1wf9 n THR 69 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wf9 n ASP 70 N -0.32 0.92 -0.70 3.42 5.68 -1.26 -4.55 116.55 119.73 1wf9 n ASP 70 Ca 0.29 -0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.63 1wf9 n ASP 70 Cb 0.70 0.88 0.11 0.00 -1.14 0.00 0.00 41.12 41.67 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1wf9 n MET 71 N -2.63 0.82 0.00 0.11 2.81 -1.26 -4.77 117.12 112.20 1wf9 n MET 71 Ca -0.28 -2.39 -0.20 0.00 -1.81 0.00 0.00 57.70 53.02 1wf9 n MET 71 Cb 1.04 -0.97 -0.14 0.00 -0.71 0.00 0.00 33.22 32.44 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 0.60 0.05 -2.03 3.04 0.00 -1.80 -3.43 119.26 115.68 1wf9 h ALA 72 Ca -0.06 -0.85 -0.62 0.00 0.00 0.00 0.00 54.91 53.39 1wf9 h ALA 72 Cb 1.31 0.27 0.02 0.00 0.00 0.00 0.00 17.79 19.39 1wf9 h ALA 72 CO 0.03 0.50 1.08 -3.47 0.00 0.00 0.00 179.25 177.39 1wf9 n ASP 73 N -4.16 3.41 0.23 0.00 2.03 -1.26 -4.83 116.55 111.98 1wf9 n ASP 73 Ca -0.19 0.98 0.13 0.00 0.52 0.00 0.00 54.79 56.23 1wf9 n ASP 73 Cb 0.78 -1.37 0.39 0.00 -0.72 0.00 0.00 41.12 40.21 1wf9 n ASP 73 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wf9 h PRO 74 N 9.00 0.00 -0.01 -0.67 0.13 -1.95 -2.50 132.00 136.01 1wf9 h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wf9 h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wf9 h PRO 74 CO 0.95 0.09 -0.13 0.09 -0.23 0.00 0.00 178.00 178.77 1wf9 n ASN 75 N -3.16 0.78 -4.79 1.44 3.02 -1.26 -3.17 115.26 108.12 1wf9 n ASN 75 Ca 0.02 -0.85 -0.38 0.00 -0.03 0.00 0.00 54.58 53.34 1wf9 n ASN 75 Cb 0.45 0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.38 4.52 -0.04 3.41 0.20 -0.94 -4.93 118.68 118.52 1wf9 s LEU 76 Ca 0.30 1.50 -0.04 0.00 0.69 0.00 0.00 54.13 56.58 1wf9 s LEU 76 Cb 0.20 -3.28 -0.04 0.00 -0.43 0.00 0.00 46.19 42.64 1wf9 s LEU 76 CO 0.46 0.18 0.18 -0.13 -0.29 0.00 0.00 176.35 176.75 1wf9 s ARG 77 N -1.35 3.45 0.51 1.98 3.00 -1.26 -0.40 118.95 124.88 1wf9 s ARG 77 Ca 0.36 -0.26 0.24 0.00 0.00 0.00 0.00 55.73 56.07 1wf9 s ARG 77 Cb -0.21 -3.12 1.33 0.00 0.00 0.00 0.00 34.95 32.95 1wf9 s ARG 77 CO 0.23 0.70 1.97 -0.84 0.00 0.00 0.00 175.30 177.36 1wf9 h ILE 78 N 3.12 0.73 -0.59 1.52 3.07 -1.75 0.27 117.51 123.87 1wf9 h ILE 78 Ca -0.50 -0.03 0.17 0.00 1.55 0.00 0.00 64.86 66.04 1wf9 h ILE 78 Cb 1.20 0.62 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 1wf9 h ILE 78 CO 0.66 0.02 0.65 -1.28 -1.05 0.00 0.00 178.15 177.15 1wf9 h SER 79 N 0.10 0.00 -0.32 2.16 0.87 -1.86 0.89 113.55 115.39 1wf9 h SER 79 Ca 0.30 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.95 1wf9 h SER 79 Cb 1.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1wf9 h SER 79 CO -0.03 0.00 0.24 -1.28 -0.53 0.00 0.00 176.83 175.23 1wf9 h SER 80 N 0.00 0.00 0.00 6.23 0.87 -0.85 -1.15 113.55 118.65 1wf9 h SER 80 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1wf9 h SER 80 Cb 1.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1wf9 h SER 80 CO -0.00 0.00 -0.86 0.18 -0.53 0.00 0.00 176.83 175.61 1wf9 n LEU 81 N -4.38 0.26 -2.67 2.23 4.77 0.29 -5.05 117.00 112.45 1wf9 n LEU 81 Ca 0.05 -0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 55.72 1wf9 n LEU 81 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1wf9 n LEU 81 CO 0.35 0.06 0.20 0.59 -1.33 0.00 0.00 177.39 177.27 1wf9 n ASN 82 N -1.48 -6.56 -4.51 -1.43 4.13 0.13 -4.97 115.26 100.57 1wf9 n ASN 82 Ca 0.00 0.09 -0.42 0.00 1.68 0.00 0.00 54.58 55.93 1wf9 n ASN 82 Cb 0.19 -4.39 -0.09 0.00 -1.54 0.00 0.00 39.78 33.95 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 -3.17 4.68 0.49 3.41 2.01 -1.25 -5.01 118.68 119.84 1wf9 s LEU 83 Ca 0.06 -0.48 0.08 0.00 0.01 0.00 0.00 54.13 53.79 1wf9 s LEU 83 Cb -0.02 -2.36 0.02 0.00 0.01 0.00 0.00 46.19 43.85 1wf9 s LEU 83 CO 0.59 -0.47 0.51 0.00 1.01 0.00 0.00 176.35 177.99 1wf9 s ALA 84 N 2.07 4.37 -0.45 4.21 0.00 -1.26 -4.84 121.76 125.85 1wf9 s ALA 84 Ca 0.12 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.05 1wf9 s ALA 84 Cb -0.17 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1wf9 s ALA 84 CO 0.13 -0.44 2.20 -1.58 0.00 0.00 0.00 175.76 176.07 1wf9 s HIS 85 N -2.58 1.28 0.00 0.00 2.46 -1.26 -0.89 115.29 114.29 1wf9 s HIS 85 Ca 0.48 1.14 0.00 0.00 0.47 0.00 0.00 55.06 57.15 1wf9 s HIS 85 Cb -0.04 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 1wf9 s HIS 85 CO 0.29 -2.79 0.00 0.41 -2.47 0.00 0.00 174.74 170.18 1wf9 n GLY 86 N 5.84 1.30 3.14 1.59 0.00 -1.21 -5.00 105.19 110.86 1wf9 n GLY 86 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.64 -4.46 1.61 2.88 -0.07 -4.83 113.62 106.10 1wf9 n SER 87 Ca 0.00 -0.16 -0.31 0.00 -1.33 0.00 0.00 58.87 57.07 1wf9 n SER 87 Cb 0.00 -0.80 -0.12 0.00 -0.75 0.00 0.00 64.21 62.54 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 -3.10 2.05 -0.04 -1.46 -2.45 -1.26 -3.79 119.30 109.25 1wf9 s MET 88 Ca 0.46 -1.00 -0.15 0.00 -1.25 0.00 0.00 55.69 53.75 1wf9 s MET 88 Cb -0.05 -2.18 0.03 0.00 1.25 0.00 0.00 34.83 33.87 1wf9 s MET 88 CO 0.57 0.53 0.34 0.08 1.05 0.00 0.00 175.02 177.60 1wf9 s VAL 89 N -0.95 0.04 0.27 10.11 1.01 0.20 -4.93 120.40 126.14 1wf9 s VAL 89 Ca 0.15 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.88 1wf9 s VAL 89 Cb -0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1wf9 s VAL 89 CO 0.06 -0.20 -0.14 -0.31 0.00 0.00 0.00 175.10 174.51 1wf9 s TYR 90 N -1.05 2.43 0.23 5.22 2.02 -1.15 0.86 117.35 125.92 1wf9 s TYR 90 Ca -0.11 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 1wf9 s TYR 90 Cb -0.04 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 1wf9 s TYR 90 CO 0.04 0.67 -0.11 -1.17 -1.57 0.00 0.00 175.55 173.41 1wf9 s LEU 91 N -3.49 2.51 -0.30 -1.29 2.96 0.65 -3.20 118.68 116.52 1wf9 s LEU 91 Ca 0.30 -1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.02 1wf9 s LEU 91 Cb -0.06 -0.64 0.14 0.00 0.50 0.00 0.00 46.19 46.13 1wf9 s LEU 91 CO 0.16 -0.25 0.68 0.00 -1.32 0.00 0.00 176.35 175.63 1wf9 s ALA 92 N -3.01 -2.14 0.08 5.97 0.00 -0.61 -4.17 121.76 117.89 1wf9 s ALA 92 Ca 0.25 2.28 0.01 0.00 0.00 0.00 0.00 51.96 54.51 1wf9 s ALA 92 Cb 0.01 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1wf9 s ALA 92 CO 0.09 -0.96 -0.06 1.52 0.00 0.00 0.00 175.76 176.34 1wf9 s TYR 93 N 2.85 0.80 0.03 0.00 1.13 -1.25 0.20 117.35 121.11 1wf9 s TYR 93 Ca -0.04 -0.85 -0.04 0.00 -1.41 0.00 0.00 57.07 54.73 1wf9 s TYR 93 Cb -0.12 -0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 40.22 1wf9 s TYR 93 CO -0.19 -0.16 0.24 -1.83 -2.51 0.00 0.00 175.55 171.10 1wf9 s GLU 94 N -3.40 3.52 7.99 -3.49 -1.05 -1.26 -4.90 118.70 116.11 1wf9 s GLU 94 Ca 0.07 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 1wf9 s GLU 94 Cb 0.03 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1wf9 s GLU 94 CO -0.04 0.63 0.00 0.41 0.95 0.00 0.00 175.26 177.21 1wf9 n GLY 95 N 0.82 2.93 1.71 -3.83 0.00 -1.26 -4.85 105.19 100.70 1wf9 n GLY 95 Ca -0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 12.55 0.23 -1.98 1.61 0.28 -1.26 -5.17 120.64 126.91 1wf9 n GLU 96 Ca 0.00 -1.73 -0.29 0.00 -0.16 0.00 0.00 57.16 54.98 1wf9 n GLU 96 Cb 0.00 1.45 0.07 0.00 1.43 0.00 0.00 31.44 34.39 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 -2.68 2.31 0.00 3.44 0.52 -1.26 -4.94 118.95 116.34 1wf9 s ARG 97 Ca 0.21 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1wf9 s ARG 97 Cb 0.01 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1wf9 s ARG 97 CO 0.15 -1.32 0.00 0.25 0.02 0.00 0.00 175.30 174.40 1wf9 n THR 98 N -3.11 0.00 -3.57 0.02 -2.24 0.04 -5.04 114.28 100.37 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 0.60 -1.54 -0.06 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.16 5.11 0.56 2.28 1.09 -1.26 -4.99 121.20 124.15 1wf9 s ILE 99 Ca 0.00 0.69 -0.16 0.00 -1.10 0.00 0.00 60.65 60.09 1wf9 s ILE 99 Cb 0.00 -3.66 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1wf9 s ILE 99 CO 0.00 0.54 1.02 0.00 -0.10 0.00 0.00 174.94 176.40 1wf9 s ARG 100 N -1.20 3.61 0.00 2.79 1.70 -1.26 -5.05 118.95 119.54 1wf9 s ARG 100 Ca 0.24 1.06 0.00 0.00 -0.47 0.00 0.00 55.73 56.56 1wf9 s ARG 100 Cb -0.16 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.14 1wf9 s ARG 100 CO 0.13 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.19 1wf9 n GLY 101 N -1.38 2.43 3.64 3.88 0.00 -1.26 -5.18 105.19 107.32 1wf9 n GLY 101 Ca 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 1wf9 n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 102 N 0.00 -0.19 -0.30 1.61 0.15 -1.26 -5.14 113.70 108.57 1wf9 s SER 102 Ca 0.00 0.35 0.06 0.00 0.70 0.00 0.00 55.95 57.06 1wf9 s SER 102 Cb 0.00 0.35 0.20 0.00 -1.71 0.00 0.00 66.02 64.86 1wf9 s SER 102 CO 0.00 -0.08 0.58 -0.83 1.20 0.00 0.00 173.24 174.12 1wf9 s GLY 103 N -0.04 -1.23 0.98 9.45 0.00 -1.26 -5.16 107.32 110.05 1wf9 s GLY 103 Ca 0.06 0.95 -0.14 0.00 0.00 0.00 0.00 44.72 45.58 1wf9 s GLY 103 CO -0.11 3.65 1.17 2.56 0.00 0.00 0.00 173.10 180.37 1wf9 s PRO 104 N 2.73 0.56 -0.31 2.90 0.04 -1.26 -5.08 135.00 134.59 1wf9 s PRO 104 Ca 0.10 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 1wf9 s PRO 104 Cb -0.10 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.84 1wf9 s PRO 104 CO -0.25 -2.55 1.07 0.45 0.04 0.00 0.00 177.00 175.77 1wf9 s SER 105 N -4.18 -0.30 -0.16 6.66 0.15 -1.26 -5.15 113.70 109.46 1wf9 s SER 105 Ca 0.67 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 57.23 1wf9 s SER 105 Cb -0.11 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1wf9 s SER 105 CO 0.54 -0.04 -0.04 -0.55 1.20 0.00 0.00 173.24 174.35 1wf9 s SER 106 N 2.45 4.71 0.00 5.45 0.15 -1.26 -5.38 113.70 119.82 1wf9 s SER 106 Ca 0.22 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1wf9 s SER 106 Cb 0.01 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1wf9 s SER 106 CO -0.19 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.00