#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 s SER 2 N 0.00 3.60 -0.33 1.61 1.04 -1.26 -5.09 113.70 113.26 1wf9 s SER 2 Ca 0.00 -1.63 -0.06 0.00 0.48 0.00 0.00 55.95 54.75 1wf9 s SER 2 Cb 0.00 -0.55 0.04 0.00 0.10 0.00 0.00 66.02 65.61 1wf9 s SER 2 CO 0.00 -0.40 0.09 -0.44 0.98 0.00 0.00 173.24 173.47 1wf9 s SER 3 N 1.67 5.24 0.37 7.02 0.01 -1.26 -5.01 113.70 121.74 1wf9 s SER 3 Ca 0.11 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1wf9 s SER 3 Cb -0.18 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1wf9 s SER 3 CO -0.25 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1wf9 n GLY 4 N 4.78 -2.29 3.98 3.44 0.00 -1.26 -4.92 105.19 108.92 1wf9 n GLY 4 Ca -0.13 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 1wf9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 5 N -6.76 5.92 -0.24 1.61 0.15 -1.26 -5.12 113.70 108.00 1wf9 s SER 5 Ca 0.00 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.32 1wf9 s SER 5 Cb 0.00 -1.31 0.16 0.00 -1.71 0.00 0.00 66.02 63.16 1wf9 s SER 5 CO 0.00 -0.52 1.19 -0.94 1.20 0.00 0.00 173.24 174.17 1wf9 s SER 6 N -4.19 -0.22 0.00 5.45 1.04 -1.26 -5.17 113.70 109.35 1wf9 s SER 6 Ca 0.46 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1wf9 s SER 6 Cb -0.10 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1wf9 s SER 6 CO 0.33 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1wf9 n GLY 7 N 1.02 0.47 3.36 7.32 0.00 -1.26 -5.00 105.19 111.11 1wf9 n GLY 7 Ca -0.07 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.52 4.45 -0.13 2.61 2.01 -1.26 -5.06 115.64 117.74 1wf9 s THR 8 Ca 0.00 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 1wf9 s THR 8 Cb 0.00 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1wf9 s THR 8 CO 0.00 -0.22 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.31 1wf9 s MET 9 N 1.53 3.36 -0.13 4.92 1.75 -1.26 -1.79 119.30 127.68 1wf9 s MET 9 Ca 0.01 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 53.85 1wf9 s MET 9 Cb -0.19 -2.73 -0.02 0.00 2.84 0.00 0.00 34.83 34.73 1wf9 s MET 9 CO 0.06 0.32 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.14 1wf9 s LEU 10 N 0.11 2.87 -0.07 4.11 2.01 -0.14 -3.28 118.68 124.28 1wf9 s LEU 10 Ca -0.03 -0.26 -0.28 0.00 0.01 0.00 0.00 54.13 53.57 1wf9 s LEU 10 Cb -0.14 -1.65 -0.02 0.00 0.01 0.00 0.00 46.19 44.38 1wf9 s LEU 10 CO 0.04 0.18 0.92 -0.60 1.01 0.00 0.00 176.35 177.90 1wf9 s ARG 11 N 0.27 4.46 -0.28 1.70 3.52 -1.23 -1.22 118.95 126.16 1wf9 s ARG 11 Ca -0.08 1.26 0.02 0.00 -0.13 0.00 0.00 55.73 56.81 1wf9 s ARG 11 Cb -0.15 -3.50 0.07 0.00 -1.56 0.00 0.00 34.95 29.81 1wf9 s ARG 11 CO 0.05 -0.16 -0.04 0.08 -0.81 0.00 0.00 175.30 174.42 1wf9 s VAL 12 N 1.46 1.94 0.11 7.11 1.01 0.63 -2.10 120.40 130.56 1wf9 s VAL 12 Ca 0.46 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1wf9 s VAL 12 Cb -0.19 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1wf9 s VAL 12 CO 0.21 -0.25 0.92 -0.60 0.00 0.00 0.00 175.10 175.38 1wf9 s ARG 13 N 1.16 4.68 0.20 2.72 6.06 0.51 -1.43 118.95 132.86 1wf9 s ARG 13 Ca -0.01 1.39 0.05 0.00 -2.50 0.00 0.00 55.73 54.65 1wf9 s ARG 13 Cb -0.19 -3.36 -0.05 0.00 0.06 0.00 0.00 34.95 31.41 1wf9 s ARG 13 CO -0.08 0.26 -0.07 -1.54 -2.50 0.00 0.00 175.30 171.38 1wf9 s SER 14 N -0.14 2.07 0.23 -2.12 1.04 -0.97 0.20 113.70 114.01 1wf9 s SER 14 Ca 0.45 -1.11 0.22 0.00 0.48 0.00 0.00 55.95 55.99 1wf9 s SER 14 Cb -0.23 -0.05 0.94 0.00 0.10 0.00 0.00 66.02 66.78 1wf9 s SER 14 CO 0.29 -0.37 1.66 -2.11 0.98 0.00 0.00 173.24 173.69 1wf9 n ARG 15 N -0.36 0.16 0.02 4.02 1.85 -1.26 -1.09 116.66 120.00 1wf9 n ARG 15 Ca -0.07 0.43 0.11 0.00 -1.00 0.00 0.00 57.85 57.32 1wf9 n ARG 15 Cb 0.62 -1.83 0.06 0.00 -1.05 0.00 0.00 32.46 30.26 1wf9 n ARG 15 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1wf9 n ASP 16 N -2.14 0.64 0.00 2.89 2.03 -1.26 -5.03 116.55 113.67 1wf9 n ASP 16 Ca 0.02 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1wf9 n ASP 16 Cb 0.20 0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 1wf9 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf9 n GLY 17 N 1.41 4.45 3.73 0.27 0.00 -0.25 -5.09 105.19 109.71 1wf9 n GLY 17 Ca 0.03 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 4.41 0.27 0.99 0.20 -1.26 -2.30 118.68 120.99 1wf9 s LEU 18 Ca 0.00 2.20 0.02 0.00 0.69 0.00 0.00 54.13 57.04 1wf9 s LEU 18 Cb 0.00 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.12 1wf9 s LEU 18 CO 0.00 -0.47 0.10 -1.61 -0.29 0.00 0.00 176.35 174.09 1wf9 s GLU 19 N 0.39 1.45 0.02 1.98 2.02 -0.52 -4.92 118.70 119.12 1wf9 s GLU 19 Ca 0.57 -1.79 0.07 0.00 0.02 0.00 0.00 54.97 53.84 1wf9 s GLU 19 Cb -0.33 -0.27 -0.02 0.00 0.10 0.00 0.00 34.13 33.61 1wf9 s GLU 19 CO 0.33 -0.31 -0.21 -0.98 0.02 0.00 0.00 175.26 174.12 1wf9 s ARG 20 N -4.00 1.48 0.03 1.61 1.70 -1.26 -0.27 118.95 118.24 1wf9 s ARG 20 Ca 0.37 -0.87 0.04 0.00 -0.47 0.00 0.00 55.73 54.81 1wf9 s ARG 20 Cb 0.07 -1.54 -0.02 0.00 -0.57 0.00 0.00 34.95 32.90 1wf9 s ARG 20 CO 0.14 0.40 -0.13 0.08 -1.08 0.00 0.00 175.30 174.72 1wf9 s VAL 21 N -0.69 0.98 0.44 4.99 1.01 -0.36 -4.92 120.40 121.84 1wf9 s VAL 21 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1wf9 s VAL 21 Cb -0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1wf9 s VAL 21 CO 0.01 -0.01 0.81 -0.55 0.00 0.00 0.00 175.10 175.36 1wf9 s SER 22 N -1.03 6.50 0.00 3.32 0.15 -1.26 -0.97 113.70 120.40 1wf9 s SER 22 Ca 0.01 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1wf9 s SER 22 Cb -0.07 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1wf9 s SER 22 CO 0.01 -0.46 0.00 1.33 1.20 0.00 0.00 173.24 175.32 1wf9 n VAL 23 N -1.48 0.00 0.00 4.45 0.24 -0.74 -4.85 118.33 115.94 1wf9 n VAL 23 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1wf9 n VAL 23 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.24 1.66 0.00 -1.34 8.00 -1.26 -4.58 116.55 117.78 1wf9 n ASP 24 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1wf9 n ASP 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 3.00 -0.81 0.19 0.44 0.00 -1.26 -4.82 105.19 101.93 1wf9 n GLY 25 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.99 -2.96 132.00 128.79 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 0.15 1.12 -0.23 0.00 0.00 178.00 179.35 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 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1wf9 h HIS 27 Cb 0.99 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.94 1wf9 h HIS 27 CO 0.00 0.00 0.04 0.96 -3.07 0.00 0.00 177.93 175.86 1wf9 s ILE 28 N -3.87 4.73 0.46 6.12 -5.25 -1.12 -5.06 121.20 117.20 1wf9 s ILE 28 Ca -0.03 0.89 0.08 0.00 -0.99 0.00 0.00 60.65 60.59 1wf9 s ILE 28 Cb 0.09 -3.66 0.01 0.00 2.95 0.00 0.00 42.46 41.85 1wf9 s ILE 28 CO 0.27 -0.07 0.46 0.42 -1.79 0.00 0.00 174.94 174.24 1wf9 s THR 29 N -1.84 2.45 0.35 8.37 -4.23 -1.26 -3.67 115.64 115.81 1wf9 s THR 29 Ca 0.50 -1.28 0.10 0.00 -1.18 0.00 0.00 61.69 59.82 1wf9 s THR 29 Cb -0.12 -2.73 0.33 0.00 1.34 0.00 0.00 72.50 71.32 1wf9 s THR 29 CO 0.19 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.68 1wf9 h VAL 30 N 0.82 0.76 -0.62 2.29 2.07 -0.02 0.36 116.25 121.90 1wf9 h VAL 30 Ca -0.39 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1wf9 h VAL 30 Cb 1.28 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1wf9 h VAL 30 CO 0.54 0.12 0.33 0.77 0.02 0.00 0.00 177.57 179.34 1wf9 h SER 31 N 0.67 0.47 0.56 0.57 4.64 -1.55 0.61 113.55 119.52 1wf9 h SER 31 Ca 0.50 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.68 1wf9 h SER 31 Cb 0.89 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1wf9 h SER 31 CO -0.26 0.30 -0.78 1.56 -0.87 0.00 0.00 176.83 176.79 1wf9 h GLN 32 N 0.61 0.16 0.62 4.77 4.20 -0.92 -2.37 115.11 122.17 1wf9 h GLN 32 Ca 0.28 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1wf9 h GLN 32 Cb 0.20 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1wf9 h GLN 32 CO -0.19 0.86 -0.30 1.25 -0.67 0.00 0.00 178.83 179.78 1wf9 h LEU 33 N 0.10 -0.70 -0.47 1.46 6.46 0.71 -1.49 115.31 121.38 1wf9 h LEU 33 Ca -0.03 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.85 1wf9 h LEU 33 Cb 1.36 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 41.38 1wf9 h LEU 33 CO 0.12 -0.37 -0.18 0.11 -0.62 0.00 0.00 178.44 177.49 1wf9 h LYS 34 N -1.09 -0.07 -0.67 1.25 1.57 0.08 0.79 116.57 118.41 1wf9 h LYS 34 Ca -0.08 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1wf9 h LYS 34 Cb 0.64 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 1wf9 h LYS 34 CO 0.14 -0.05 0.07 1.15 -0.57 0.00 0.00 179.45 180.19 1wf9 h THR 35 N -0.07 0.50 0.04 -0.16 2.02 -1.43 1.58 112.91 115.39 1wf9 h THR 35 Ca 0.23 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1wf9 h THR 35 Cb 0.42 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1wf9 h THR 35 CO -0.52 0.03 -0.06 -0.07 0.37 0.00 0.00 175.52 175.27 1wf9 h LEU 36 N 0.18 -0.17 -1.38 2.58 3.38 0.24 0.73 115.31 120.87 1wf9 h LEU 36 Ca 0.36 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.52 1wf9 h LEU 36 Cb 0.60 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 1wf9 h LEU 36 CO -0.52 -0.07 0.58 0.40 0.09 0.00 0.00 178.44 178.91 1wf9 h ILE 37 N -0.10 0.76 0.00 1.22 5.03 -0.87 1.75 117.51 125.30 1wf9 h ILE 37 Ca -0.00 -0.19 -0.04 0.00 -0.12 0.00 0.00 64.86 64.51 1wf9 h ILE 37 Cb 0.10 0.15 -0.01 0.00 -3.03 0.00 0.00 36.82 34.03 1wf9 h ILE 37 CO -0.02 0.10 -0.18 -0.61 -0.68 0.00 0.00 178.15 176.77 1wf9 h GLN 38 N 0.56 0.00 0.00 2.37 -0.00 0.31 0.56 115.11 118.90 1wf9 h GLN 38 Ca 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.93 1wf9 h GLN 38 Cb 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.37 1wf9 h GLN 38 CO -0.20 0.18 -1.18 -3.47 0.00 0.00 0.00 178.83 174.16 1wf9 n ASP 39 N -4.30 1.86 0.36 -0.69 2.03 0.25 0.68 116.55 116.75 1wf9 n ASP 39 Ca -0.02 0.47 -0.19 0.00 0.52 0.00 0.00 54.79 55.57 1wf9 n ASP 39 Cb 0.24 -0.90 -0.10 0.00 -0.72 0.00 0.00 41.12 39.64 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 -1.05 0.00 -0.67 4.20 0.23 -1.66 115.11 115.16 1wf9 h GLN 40 Ca -0.26 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1wf9 h GLN 40 Cb 1.08 0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1wf9 h GLN 40 CO -0.16 -0.70 0.00 1.28 -0.67 0.00 0.00 178.83 178.58 1wf9 n LEU 41 N -5.59 0.00 -3.43 1.46 4.77 0.19 -4.91 117.00 109.50 1wf9 n LEU 41 Ca -0.13 0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 56.14 1wf9 n LEU 41 Cb 0.47 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1wf9 n LEU 41 CO 0.32 -0.08 0.03 0.00 -1.33 0.00 0.00 177.39 176.33 1wf9 n GLN 42 N -1.48 -4.20 -4.64 3.23 1.13 -0.63 -4.73 117.38 106.07 1wf9 n GLN 42 Ca 0.07 0.79 -0.23 0.00 -1.94 0.00 0.00 57.00 55.68 1wf9 n GLN 42 Cb 0.28 -5.59 -0.15 0.00 0.11 0.00 0.00 30.24 24.89 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 -3.43 1.33 0.01 5.09 1.01 0.22 -1.36 121.20 124.06 1wf9 s ILE 43 Ca 0.22 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1wf9 s ILE 43 Cb -0.04 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1wf9 s ILE 43 CO 0.76 0.25 1.19 -2.16 0.00 0.00 0.00 174.94 174.97 1wf9 s PRO 44 N -0.73 4.41 0.14 2.79 0.04 -1.26 -3.90 135.00 136.49 1wf9 s PRO 44 Ca 0.05 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1wf9 s PRO 44 Cb -0.07 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1wf9 s PRO 44 CO 0.00 -0.32 1.57 0.82 0.04 0.00 0.00 177.00 179.12 1wf9 h ILE 45 N 4.74 0.11 -1.75 0.56 2.04 -1.89 1.28 117.51 122.60 1wf9 h ILE 45 Ca -0.39 0.00 0.51 0.00 1.00 0.00 0.00 64.86 65.98 1wf9 h ILE 45 Cb 1.19 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1wf9 h ILE 45 CO 0.83 0.00 1.36 1.12 0.00 0.00 0.00 178.15 181.47 1wf9 h HIS 46 N -0.41 0.00 0.03 1.37 2.07 -2.01 0.94 115.15 117.14 1wf9 h HIS 46 Ca 0.10 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.27 1wf9 h HIS 46 Cb 0.61 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.54 1wf9 h HIS 46 CO -0.57 0.00 -1.97 0.09 -3.07 0.00 0.00 177.93 172.40 1wf9 n ASN 47 N -3.79 1.97 -4.56 3.10 4.13 0.25 -4.95 115.26 111.41 1wf9 n ASN 47 Ca 0.39 0.25 -0.43 0.00 1.68 0.00 0.00 54.58 56.47 1wf9 n ASN 47 Cb 1.89 -0.81 -0.01 0.00 -1.54 0.00 0.00 39.78 39.31 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 -3.95 1.15 -3.70 3.52 6.02 0.37 -3.88 117.38 116.90 1wf9 n GLN 48 Ca -0.40 0.41 -0.29 0.00 -0.01 0.00 0.00 57.00 56.71 1wf9 n GLN 48 Cb 0.88 -1.80 -0.16 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.18 0.55 -0.11 5.09 2.01 0.44 -4.86 115.64 117.57 1wf9 s THR 49 Ca 0.61 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 1wf9 s THR 49 Cb -0.66 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1wf9 s THR 49 CO 0.59 -0.44 0.58 -0.76 -0.69 0.00 0.00 174.62 173.89 1wf9 s LEU 50 N 1.82 4.27 -0.28 4.42 2.01 -1.26 -1.51 118.68 128.15 1wf9 s LEU 50 Ca 0.04 0.95 -0.22 0.00 0.01 0.00 0.00 54.13 54.92 1wf9 s LEU 50 Cb -0.17 -2.86 0.09 0.00 0.01 0.00 0.00 46.19 43.26 1wf9 s LEU 50 CO -0.18 -0.08 0.81 -0.55 1.01 0.00 0.00 176.35 177.36 1wf9 s SER 51 N 0.77 -0.71 -0.25 2.29 0.15 -1.03 -4.20 113.70 110.72 1wf9 s SER 51 Ca 0.31 1.27 0.01 0.00 0.70 0.00 0.00 55.95 58.23 1wf9 s SER 51 Cb -0.16 1.29 0.27 0.00 -1.71 0.00 0.00 66.02 65.70 1wf9 s SER 51 CO 0.13 -0.21 1.66 0.35 1.20 0.00 0.00 173.24 176.37 1wf9 n THR 52 N 3.13 2.31 -3.89 6.45 -2.24 -1.26 -2.43 114.28 116.35 1wf9 n THR 52 Ca -0.16 -1.17 -0.29 0.00 -2.27 0.00 0.00 64.05 60.16 1wf9 n THR 52 Cb 0.57 -1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.07 3.09 0.57 3.42 3.84 -1.26 -4.98 114.94 119.69 1wf9 s ASN 53 Ca 0.28 -0.80 0.28 0.00 0.21 0.00 0.00 52.86 52.82 1wf9 s ASN 53 Cb 0.22 -0.95 1.54 0.00 -0.55 0.00 0.00 41.25 41.51 1wf9 s ASN 53 CO 0.03 -0.21 1.85 0.08 -2.79 0.00 0.00 177.10 176.06 1wf9 h ARG 54 N 8.09 0.00 0.00 0.43 -0.00 -1.99 0.56 114.38 121.47 1wf9 h ARG 54 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.76 1wf9 h ARG 54 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 1wf9 h ARG 54 CO 0.40 0.00 0.00 0.09 -0.00 0.00 0.00 179.97 180.46 1wf9 n ASN 55 N -2.69 0.18 -0.06 0.08 3.02 -1.26 -2.16 115.26 112.36 1wf9 n ASN 55 Ca -0.02 0.56 -0.10 0.00 -0.03 0.00 0.00 54.58 54.99 1wf9 n ASN 55 Cb 0.28 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 1wf9 n ASN 55 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wf9 h LEU 56 N 0.00 0.26 -2.02 3.41 5.85 -0.24 -0.63 115.31 121.95 1wf9 h LEU 56 Ca 0.00 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.81 1wf9 h LEU 56 Cb 0.15 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1wf9 h LEU 56 CO 0.00 0.22 0.32 -0.07 -0.34 0.00 0.00 178.44 178.57 1wf9 h LEU 57 N 0.29 0.00 -0.05 2.25 4.07 -1.65 -0.00 115.31 120.21 1wf9 h LEU 57 Ca 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1wf9 h LEU 57 Cb -0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1wf9 h LEU 57 CO -0.02 0.00 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.25 1wf9 h LEU 58 N 0.00 0.11 -9.00 1.67 3.38 -1.27 -3.44 115.31 106.76 1wf9 h LEU 58 Ca 0.20 -0.41 -0.79 0.00 0.09 0.00 0.00 57.88 56.97 1wf9 h LEU 58 Cb 0.85 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1wf9 h LEU 58 CO -0.00 0.49 0.87 0.00 0.09 0.00 0.00 178.44 179.90 1wf9 n ALA 59 N -2.33 -0.53 -0.01 1.53 0.00 -0.02 -4.79 120.51 114.37 1wf9 n ALA 59 Ca -0.07 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.78 1wf9 n ALA 59 Cb 0.24 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.50 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 5.14 0.91 -3.57 0.00 4.76 -1.26 -4.94 118.16 119.20 1wf9 n LYS 60 Ca 0.30 -0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 55.45 1wf9 n LYS 60 Cb 0.06 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 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 -3.31 4.88 -0.08 4.39 0.01 -1.26 -5.06 113.70 113.27 1wf9 s SER 61 Ca -0.04 -1.00 -0.27 0.00 1.31 0.00 0.00 55.95 55.95 1wf9 s SER 61 Cb 0.05 0.10 -0.23 0.00 0.21 0.00 0.00 66.02 66.15 1wf9 s SER 61 CO 0.37 -1.04 1.01 1.55 0.41 0.00 0.00 173.24 175.54 1wf9 h PRO 62 N 0.68 0.00 -1.02 12.44 0.13 -1.99 -3.15 132.00 139.08 1wf9 h PRO 62 Ca -0.36 -0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.02 1wf9 h PRO 62 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 1wf9 h PRO 62 CO 0.53 0.75 0.65 0.77 -0.23 0.00 0.00 178.00 180.47 1wf9 h SER 63 N -0.74 0.51 0.43 1.44 0.02 -1.97 0.16 113.55 113.39 1wf9 h SER 63 Ca -0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1wf9 h SER 63 Cb 0.75 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1wf9 h SER 63 CO 0.00 0.11 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.82 1wf9 h ASP 64 N 0.46 -0.49 0.16 3.07 1.82 -1.97 -1.65 116.42 117.81 1wf9 h ASP 64 Ca 0.59 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.25 1wf9 h ASP 64 Cb 1.38 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 41.52 1wf9 h ASP 64 CO -0.33 -0.35 -0.02 -0.26 -1.61 0.00 0.00 179.24 176.67 1wf9 h PHE 65 N -0.58 0.00 0.00 0.28 0.04 -0.78 0.15 116.94 116.05 1wf9 h PHE 65 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1wf9 h PHE 65 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1wf9 h PHE 65 CO -0.05 0.02 0.00 1.28 -0.60 0.00 0.00 178.31 178.97 1wf9 n LEU 66 N -3.43 0.00 0.09 1.54 4.77 0.23 -1.61 117.00 118.59 1wf9 n LEU 66 Ca -0.02 0.40 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1wf9 n LEU 66 Cb 0.13 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1wf9 n LEU 66 CO 0.25 -0.18 0.16 0.00 -1.33 0.00 0.00 177.39 176.28 1wf9 h ALA 67 N 2.65 0.60 -2.87 -1.18 0.00 -0.58 -3.43 119.26 114.45 1wf9 h ALA 67 Ca 0.00 -0.72 -0.65 0.00 0.00 0.00 0.00 54.91 53.55 1wf9 h ALA 67 Cb 0.22 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.85 1wf9 h ALA 67 CO 0.00 0.90 -0.51 -0.06 0.00 0.00 0.00 179.25 179.59 1wf9 s PHE 68 N -2.87 3.22 -0.35 0.00 0.08 -0.63 -4.93 117.98 112.49 1wf9 s PHE 68 Ca 0.01 0.08 0.14 0.00 0.12 0.00 0.00 56.93 57.28 1wf9 s PHE 68 Cb 0.08 -2.40 0.43 0.00 -0.57 0.00 0.00 43.02 40.56 1wf9 s PHE 68 CO 0.78 -0.19 1.15 0.25 -0.10 0.00 0.00 175.22 177.11 1wf9 n THR 69 N 5.07 0.55 -0.00 0.64 -2.24 -1.26 -4.90 114.28 112.13 1wf9 n THR 69 Ca -0.14 -2.32 -0.13 0.00 -2.27 0.00 0.00 64.05 59.20 1wf9 n THR 69 Cb 0.52 0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 69.45 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 2.49 0.16 -1.31 3.42 5.19 -1.92 -3.38 116.42 121.07 1wf9 h ASP 70 Ca -0.19 -0.33 -0.57 0.00 -0.62 0.00 0.00 57.03 55.32 1wf9 h ASP 70 Cb 1.24 -0.05 -0.42 0.00 0.18 0.00 0.00 39.33 40.27 1wf9 h ASP 70 CO 0.22 1.29 -0.77 0.23 -3.12 0.00 0.00 179.24 177.09 1wf9 n MET 71 N -3.23 3.36 0.00 3.56 2.81 -1.26 -4.71 117.12 117.66 1wf9 n MET 71 Ca -0.20 -4.37 -0.14 0.00 -1.81 0.00 0.00 57.70 51.18 1wf9 n MET 71 Cb 1.05 -2.21 -0.14 0.00 -0.71 0.00 0.00 33.22 31.21 1wf9 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wf9 h ALA 72 N 2.50 0.58 -2.21 3.04 0.00 -1.87 -3.44 119.26 117.86 1wf9 h ALA 72 Ca 0.30 -1.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.26 1wf9 h ALA 72 Cb 1.08 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1wf9 h ALA 72 CO 0.81 1.43 0.99 0.34 0.00 0.00 0.00 179.25 182.82 1wf9 s ASP 73 N -6.56 6.81 0.43 0.00 2.15 -1.26 -4.87 116.67 113.36 1wf9 s ASP 73 Ca -0.11 1.97 0.28 0.00 0.43 0.00 0.00 52.55 55.11 1wf9 s ASP 73 Cb 0.07 -2.54 0.88 0.00 -0.30 0.00 0.00 42.92 41.04 1wf9 s ASP 73 CO 0.81 -0.84 1.79 1.55 -0.17 0.00 0.00 175.17 178.31 1wf9 h PRO 74 N 8.85 0.00 -0.01 4.34 0.13 -1.92 -2.44 132.00 140.95 1wf9 h PRO 74 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.96 0.00 -0.18 0.09 -0.23 0.00 0.00 178.00 178.64 1wf9 n ASN 75 N -2.87 1.26 -4.74 1.44 3.02 -1.26 -1.61 115.26 110.50 1wf9 n ASN 75 Ca 0.03 -1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.04 1wf9 n ASN 75 Cb 0.39 0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.34 4.57 0.11 3.41 2.96 -0.92 -4.86 118.68 121.62 1wf9 s LEU 76 Ca 0.28 1.86 -0.10 0.00 -0.22 0.00 0.00 54.13 55.95 1wf9 s LEU 76 Cb 0.20 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 1wf9 s LEU 76 CO 0.46 0.04 0.43 -0.13 -1.32 0.00 0.00 176.35 175.83 1wf9 s ARG 77 N -0.55 3.77 0.56 1.98 3.00 -1.26 0.45 118.95 126.90 1wf9 s ARG 77 Ca 0.44 0.19 0.25 0.00 0.00 0.00 0.00 55.73 56.61 1wf9 s ARG 77 Cb -0.24 -2.93 1.54 0.00 0.00 0.00 0.00 34.95 33.32 1wf9 s ARG 77 CO 0.31 0.51 2.11 -0.84 0.00 0.00 0.00 175.30 177.39 1wf9 h ILE 78 N 2.65 0.65 -0.82 1.52 3.07 -1.77 0.49 117.51 123.31 1wf9 h ILE 78 Ca -0.48 0.00 0.22 0.00 1.55 0.00 0.00 64.86 66.15 1wf9 h ILE 78 Cb 1.19 0.88 -0.04 0.00 -0.27 0.00 0.00 36.82 38.57 1wf9 h ILE 78 CO 0.67 0.00 0.57 0.77 -1.05 0.00 0.00 178.15 179.12 1wf9 h SER 79 N 0.00 0.13 -0.93 2.16 4.64 -1.87 0.71 113.55 118.39 1wf9 h SER 79 Ca 0.08 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 1wf9 h SER 79 Cb 0.40 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.40 1wf9 h SER 79 CO -0.00 0.05 0.56 -1.28 -0.87 0.00 0.00 176.83 175.29 1wf9 h SER 80 N 0.13 0.82 0.51 4.97 0.87 -1.29 -1.61 113.55 117.95 1wf9 h SER 80 Ca 0.40 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.84 1wf9 h SER 80 Cb 1.39 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1wf9 h SER 80 CO -0.06 0.46 -1.63 0.18 -0.53 0.00 0.00 176.83 175.25 1wf9 n LEU 81 N -4.67 0.60 -1.39 2.23 4.77 0.96 -5.01 117.00 114.50 1wf9 n LEU 81 Ca 0.16 0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1wf9 n LEU 81 Cb 0.31 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wf9 n LEU 81 CO 0.27 0.16 0.00 -3.20 -1.33 0.00 0.00 177.39 173.29 1wf9 n ASN 82 N -2.76 -2.06 -4.49 -1.43 5.15 0.21 -5.00 115.26 104.87 1wf9 n ASN 82 Ca -0.12 -0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.42 1wf9 n ASN 82 Cb 0.83 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.43 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 -2.77 4.59 0.50 1.20 1.43 -1.16 -5.01 118.68 117.46 1wf9 s LEU 83 Ca 0.01 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1wf9 s LEU 83 Cb -0.00 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1wf9 s LEU 83 CO 0.01 -0.96 0.29 0.00 0.23 0.00 0.00 176.35 175.93 1wf9 s ALA 84 N 3.06 4.16 -0.05 4.21 0.00 -1.26 -4.87 121.76 127.02 1wf9 s ALA 84 Ca 0.22 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 1wf9 s ALA 84 Cb -0.16 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.32 1wf9 s ALA 84 CO 0.16 -0.30 2.06 1.58 0.00 0.00 0.00 175.76 179.26 1wf9 n HIS 85 N -1.55 2.33 0.00 0.00 -0.00 -1.26 -0.48 115.22 114.25 1wf9 n HIS 85 Ca -0.04 -0.30 0.00 0.00 0.46 0.00 0.00 57.72 57.84 1wf9 n HIS 85 Cb 0.64 -2.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 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 4.97 2.84 3.39 1.57 0.00 -1.20 -5.03 105.19 111.73 1wf9 n GLY 86 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1wf9 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf9 n SER 87 N 0.00 -2.15 -4.67 1.61 7.64 0.36 -4.82 113.62 111.59 1wf9 n SER 87 Ca 0.00 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.79 1wf9 n SER 87 Cb 0.00 -1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 61.95 1wf9 n SER 87 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1wf9 s MET 88 N -3.60 2.75 0.02 1.43 -2.45 -1.26 -3.55 119.30 112.64 1wf9 s MET 88 Ca 0.57 -0.63 -0.20 0.00 -1.25 0.00 0.00 55.69 54.18 1wf9 s MET 88 Cb -0.19 -2.64 0.04 0.00 1.25 0.00 0.00 34.83 33.28 1wf9 s MET 88 CO 0.67 0.62 0.44 0.08 1.05 0.00 0.00 175.02 177.88 1wf9 s VAL 89 N -1.08 0.05 -0.01 10.11 1.01 -0.89 -4.95 120.40 124.63 1wf9 s VAL 89 Ca 0.19 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1wf9 s VAL 89 Cb -0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1wf9 s VAL 89 CO 0.10 -0.21 -0.23 -0.31 0.00 0.00 0.00 175.10 174.45 1wf9 s TYR 90 N -2.06 2.04 0.18 5.22 2.02 -1.02 0.19 117.35 123.93 1wf9 s TYR 90 Ca -0.08 -0.39 0.11 0.00 -0.37 0.00 0.00 57.07 56.34 1wf9 s TYR 90 Cb -0.02 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1wf9 s TYR 90 CO 0.01 -0.02 -0.20 -1.17 -1.57 0.00 0.00 175.55 172.60 1wf9 s LEU 91 N -0.63 2.58 -0.20 -1.29 2.96 0.54 -2.46 118.68 120.17 1wf9 s LEU 91 Ca 0.09 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1wf9 s LEU 91 Cb -0.09 -1.32 0.08 0.00 0.50 0.00 0.00 46.19 45.36 1wf9 s LEU 91 CO -0.00 0.12 0.46 0.00 -1.32 0.00 0.00 176.35 175.61 1wf9 s ALA 92 N -1.62 -1.26 0.25 5.97 0.00 -0.57 -4.25 121.76 120.29 1wf9 s ALA 92 Ca 0.21 1.67 -0.00 0.00 0.00 0.00 0.00 51.96 53.84 1wf9 s ALA 92 Cb -0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1wf9 s ALA 92 CO 0.11 -0.56 0.24 1.52 0.00 0.00 0.00 175.76 177.06 1wf9 s TYR 93 N 2.12 1.21 0.05 0.00 1.13 -1.25 0.17 117.35 120.77 1wf9 s TYR 93 Ca -0.06 -1.37 0.06 0.00 -1.41 0.00 0.00 57.07 54.29 1wf9 s TYR 93 Cb -0.10 -0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 40.25 1wf9 s TYR 93 CO -0.14 -0.78 -0.13 -1.83 -2.51 0.00 0.00 175.55 170.16 1wf9 s GLU 94 N -3.87 2.21 0.26 -3.49 -1.05 -1.26 -5.00 118.70 106.51 1wf9 s GLU 94 Ca 0.37 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 1wf9 s GLU 94 Cb 0.04 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 1wf9 s GLU 94 CO 0.16 0.55 0.00 0.41 0.95 0.00 0.00 175.26 177.33 1wf9 n GLY 95 N 1.31 -2.27 3.68 -3.83 0.00 -1.26 -4.92 105.19 97.91 1wf9 n GLY 95 Ca -0.15 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.60 -0.93 0.86 1.61 -1.05 -1.26 -5.05 118.70 110.27 1wf9 s GLU 96 Ca 0.00 -0.25 -0.13 0.00 -0.15 0.00 0.00 54.97 54.45 1wf9 s GLU 96 Cb 0.00 -1.65 0.13 0.00 -0.44 0.00 0.00 34.13 32.17 1wf9 s GLU 96 CO 0.00 -3.49 1.21 1.03 0.95 0.00 0.00 175.26 174.96 1wf9 s ARG 97 N -5.60 1.44 0.00 -4.83 0.52 -1.26 -4.98 118.95 104.24 1wf9 s ARG 97 Ca 0.73 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 1wf9 s ARG 97 Cb -0.07 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1wf9 s ARG 97 CO 0.55 -1.89 0.00 0.25 0.02 0.00 0.00 175.30 174.24 1wf9 n THR 98 N -3.44 0.00 -3.28 0.02 -2.24 -0.47 -5.05 114.28 99.82 1wf9 n THR 98 Ca 0.11 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.51 1wf9 n THR 98 Cb 0.60 -1.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.29 5.15 0.07 2.28 1.09 -1.26 -4.99 121.20 123.83 1wf9 s ILE 99 Ca 0.00 1.03 -0.31 0.00 -1.10 0.00 0.00 60.65 60.27 1wf9 s ILE 99 Cb 0.00 -3.85 -0.08 0.00 -1.06 0.00 0.00 42.46 37.47 1wf9 s ILE 99 CO 0.00 0.33 1.58 -0.13 -0.10 0.00 0.00 174.94 176.61 1wf9 s ARG 100 N 0.57 4.22 -0.29 2.79 0.52 -1.26 -4.98 118.95 120.52 1wf9 s ARG 100 Ca 0.28 2.25 -0.13 0.00 -0.52 0.00 0.00 55.73 57.60 1wf9 s ARG 100 Cb -0.16 -3.52 0.13 0.00 0.52 0.00 0.00 34.95 31.92 1wf9 s ARG 100 CO 0.12 -0.67 0.77 0.20 0.02 0.00 0.00 175.30 175.74 1wf9 s GLY 101 N 2.07 -0.51 0.08 -3.53 0.00 -1.26 -5.07 107.32 99.11 1wf9 s GLY 101 Ca 0.71 2.61 -0.01 0.00 0.00 0.00 0.00 44.72 48.03 1wf9 s GLY 101 CO 0.31 2.88 -0.02 1.44 0.00 0.00 0.00 173.10 177.71 1wf9 n SER 102 N 4.85 1.11 0.00 1.64 7.64 -1.26 -5.11 113.62 122.49 1wf9 n SER 102 Ca -0.14 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wf9 n SER 102 Cb 0.53 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1wf9 n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf9 n GLY 103 N 3.39 -1.70 0.08 0.23 0.00 -1.26 -4.05 105.19 101.87 1wf9 n GLY 103 Ca -0.01 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1wf9 n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 h PRO 104 N 0.00 -0.06 -1.27 1.61 0.13 -2.08 -3.44 132.00 126.90 1wf9 h PRO 104 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.99 1wf9 h PRO 104 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 1wf9 h PRO 104 CO 0.00 0.58 -0.52 -1.12 -0.23 0.00 0.00 178.00 176.71 1wf9 s SER 105 N -5.82 -0.78 -0.18 1.44 0.01 -1.26 -5.14 113.70 101.96 1wf9 s SER 105 Ca -0.15 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.01 1wf9 s SER 105 Cb -0.01 1.57 -0.05 0.00 0.21 0.00 0.00 66.02 67.75 1wf9 s SER 105 CO 0.59 -0.19 0.10 -0.44 0.41 0.00 0.00 173.24 173.71 1wf9 s SER 106 N 1.73 6.01 0.00 2.44 0.01 -1.26 -5.21 113.70 117.42 1wf9 s SER 106 Ca 0.16 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wf9 s SER 106 Cb -0.07 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1wf9 s SER 106 CO -0.06 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.40