#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 4.09 -0.33 1.61 0.15 -1.26 -5.07 113.70 112.90 1wf9 s SER 2 Ca 0.00 -0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.35 1wf9 s SER 2 Cb 0.00 -0.85 0.19 0.00 -1.71 0.00 0.00 66.02 63.65 1wf9 s SER 2 CO 0.00 0.32 1.00 -0.55 1.20 0.00 0.00 173.24 175.21 1wf9 s SER 3 N -0.96 -0.49 0.00 5.45 0.15 -1.26 -5.16 113.70 111.42 1wf9 s SER 3 Ca 0.13 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1wf9 s SER 3 Cb -0.11 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1wf9 s SER 3 CO 0.02 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1wf9 n GLY 4 N 4.13 2.33 3.88 9.45 0.00 -1.26 -5.16 105.19 118.57 1wf9 n GLY 4 Ca 0.07 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1wf9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf9 s SER 5 N 2.00 6.49 0.30 1.61 1.04 -1.26 -4.94 113.70 118.95 1wf9 s SER 5 Ca 0.00 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1wf9 s SER 5 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1wf9 s SER 5 CO 0.00 0.25 0.00 -1.20 0.98 0.00 0.00 173.24 173.27 1wf9 n SER 6 N 1.10 -1.85 0.00 7.02 7.64 -1.26 -5.11 113.62 121.16 1wf9 n SER 6 Ca -0.11 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1wf9 n SER 6 Cb 0.53 1.86 0.00 0.00 -1.01 0.00 0.00 64.21 65.59 1wf9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf9 n GLY 7 N -0.10 1.24 3.54 0.23 0.00 -1.26 -4.29 105.19 104.55 1wf9 n GLY 7 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 3.15 -0.05 2.61 2.01 -1.10 -5.01 115.64 117.25 1wf9 s THR 8 Ca 0.00 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 60.65 1wf9 s THR 8 Cb 0.00 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1wf9 s THR 8 CO 0.00 0.09 -0.15 -0.32 -0.69 0.00 0.00 174.62 173.56 1wf9 s MET 9 N -2.22 1.71 0.19 4.92 1.75 -1.26 0.18 119.30 124.57 1wf9 s MET 9 Ca 0.20 -0.52 0.10 0.00 -1.25 0.00 0.00 55.69 54.22 1wf9 s MET 9 Cb -0.11 -1.45 -0.04 0.00 2.84 0.00 0.00 34.83 36.07 1wf9 s MET 9 CO 0.12 0.15 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.94 1wf9 s LEU 10 N 0.29 2.47 -0.25 4.11 1.43 0.86 -3.54 118.68 124.04 1wf9 s LEU 10 Ca -0.08 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 1wf9 s LEU 10 Cb -0.13 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1wf9 s LEU 10 CO 0.03 0.00 0.11 -0.13 0.23 0.00 0.00 176.35 176.59 1wf9 s ARG 11 N -2.94 3.79 -0.57 1.70 0.52 -1.26 -0.16 118.95 120.02 1wf9 s ARG 11 Ca 0.20 -0.41 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 1wf9 s ARG 11 Cb -0.06 -3.42 0.15 0.00 0.52 0.00 0.00 34.95 32.14 1wf9 s ARG 11 CO 0.09 -0.13 0.43 0.08 0.02 0.00 0.00 175.30 175.79 1wf9 s VAL 12 N 1.50 4.22 -0.06 3.52 1.01 0.30 -0.78 120.40 130.11 1wf9 s VAL 12 Ca 0.06 -2.28 -0.26 0.00 0.00 0.00 0.00 61.98 59.49 1wf9 s VAL 12 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1wf9 s VAL 12 CO 0.06 -0.84 0.84 -0.60 0.00 0.00 0.00 175.10 174.55 1wf9 s ARG 13 N 0.71 4.46 0.52 2.72 6.06 0.23 -2.03 118.95 131.62 1wf9 s ARG 13 Ca 0.11 1.12 0.06 0.00 -2.50 0.00 0.00 55.73 54.53 1wf9 s ARG 13 Cb -0.21 -3.48 0.03 0.00 0.06 0.00 0.00 34.95 31.34 1wf9 s ARG 13 CO -0.03 -0.06 0.40 -1.54 -2.50 0.00 0.00 175.30 171.56 1wf9 s SER 14 N 0.95 4.69 0.13 -2.12 1.04 0.47 0.20 113.70 119.05 1wf9 s SER 14 Ca 0.43 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 1wf9 s SER 14 Cb -0.19 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1wf9 s SER 14 CO 0.21 -1.01 1.13 0.54 0.98 0.00 0.00 173.24 175.09 1wf9 n ARG 15 N -1.71 -0.30 -2.51 4.02 1.74 -1.26 -2.69 116.66 113.96 1wf9 n ARG 15 Ca -0.00 1.11 0.01 0.00 -0.77 0.00 0.00 57.85 58.20 1wf9 n ARG 15 Cb 0.64 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.49 1wf9 n ARG 15 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wf9 n ASP 16 N -4.94 1.36 -3.47 0.55 -0.08 -1.26 -4.98 116.55 103.73 1wf9 n ASP 16 Ca 0.02 -2.02 -0.17 0.00 -1.51 0.00 0.00 54.79 51.12 1wf9 n ASP 16 Cb 0.21 -0.41 -0.12 0.00 2.34 0.00 0.00 41.12 43.14 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 -3.31 -0.06 -0.61 0.27 0.00 -1.10 -5.10 107.32 97.41 1wf9 s GLY 17 Ca 0.28 0.32 -0.15 0.00 0.00 0.00 0.00 44.72 45.17 1wf9 s GLY 17 CO -0.07 2.25 0.57 -2.27 0.00 0.00 0.00 173.10 173.58 1wf9 s LEU 18 N 2.36 6.33 0.37 0.66 2.96 -1.26 0.18 118.68 130.27 1wf9 s LEU 18 Ca 0.08 -2.03 0.08 0.00 -0.22 0.00 0.00 54.13 52.04 1wf9 s LEU 18 Cb -0.16 -2.20 -0.06 0.00 0.50 0.00 0.00 46.19 44.27 1wf9 s LEU 18 CO -0.14 -0.78 0.03 -1.61 -1.32 0.00 0.00 176.35 172.54 1wf9 s GLU 19 N 1.21 2.05 0.16 1.98 2.02 -0.86 -4.97 118.70 120.29 1wf9 s GLU 19 Ca 0.07 -1.87 0.10 0.00 0.02 0.00 0.00 54.97 53.28 1wf9 s GLU 19 Cb -0.25 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 1wf9 s GLU 19 CO -0.00 0.04 -0.21 -0.98 0.02 0.00 0.00 175.26 174.13 1wf9 s ARG 20 N -3.74 1.33 0.02 1.61 1.70 -1.26 0.11 118.95 118.71 1wf9 s ARG 20 Ca 0.36 -1.39 0.01 0.00 -0.47 0.00 0.00 55.73 54.24 1wf9 s ARG 20 Cb 0.03 -1.54 -0.01 0.00 -0.57 0.00 0.00 34.95 32.86 1wf9 s ARG 20 CO 0.19 0.33 -0.05 0.08 -1.08 0.00 0.00 175.30 174.78 1wf9 s VAL 21 N -1.68 0.32 -0.16 4.99 1.01 0.77 -4.88 120.40 120.78 1wf9 s VAL 21 Ca 0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1wf9 s VAL 21 Cb -0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 1wf9 s VAL 21 CO 0.07 -0.19 0.19 -0.55 0.00 0.00 0.00 175.10 174.62 1wf9 s SER 22 N -0.85 6.35 0.00 3.32 0.15 -1.26 -0.10 113.70 121.32 1wf9 s SER 22 Ca -0.06 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wf9 s SER 22 Cb -0.06 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1wf9 s SER 22 CO -0.00 0.23 0.00 1.33 1.20 0.00 0.00 173.24 176.00 1wf9 n VAL 23 N 3.01 0.00 -0.09 4.45 0.24 0.13 -4.98 118.33 121.09 1wf9 n VAL 23 Ca -0.16 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1wf9 n VAL 23 Cb 0.53 0.00 -0.10 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 -0.68 2.19 0.00 -1.34 8.00 -1.26 -2.72 116.55 120.74 1wf9 n ASP 24 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1wf9 n ASP 24 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1wf9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wf9 n GLY 25 N 2.45 -0.16 0.17 0.44 0.00 -1.26 -4.41 105.19 102.42 1wf9 n GLY 25 Ca -0.31 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.98 132.00 128.78 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 0.41 0.22 1.12 -0.23 0.00 0.00 178.00 179.53 1wf9 h HIS 27 N 0.00 0.00 -3.52 1.56 2.07 -2.00 -3.40 115.15 109.86 1wf9 h HIS 27 Ca -0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1wf9 h HIS 27 Cb 1.07 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.03 1wf9 h HIS 27 CO 0.00 0.00 -0.02 0.96 -3.07 0.00 0.00 177.93 175.80 1wf9 s ILE 28 N -3.87 4.86 0.44 6.12 -5.25 -1.13 -5.07 121.20 117.30 1wf9 s ILE 28 Ca -0.03 0.54 0.07 0.00 -0.99 0.00 0.00 60.65 60.25 1wf9 s ILE 28 Cb 0.08 -3.66 -0.01 0.00 2.95 0.00 0.00 42.46 41.83 1wf9 s ILE 28 CO 0.26 -0.23 0.39 0.42 -1.79 0.00 0.00 174.94 173.99 1wf9 s THR 29 N -2.01 2.45 0.33 8.37 -4.23 -1.26 -3.77 115.64 115.51 1wf9 s THR 29 Ca 0.49 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1wf9 s THR 29 Cb -0.11 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 71.23 1wf9 s THR 29 CO 0.24 0.00 1.82 0.58 -0.54 0.00 0.00 174.62 176.72 1wf9 h VAL 30 N 0.97 0.77 -0.54 2.29 2.07 -0.33 0.20 116.25 121.68 1wf9 h VAL 30 Ca -0.40 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1wf9 h VAL 30 Cb 1.27 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1wf9 h VAL 30 CO 0.57 0.13 0.22 0.77 0.02 0.00 0.00 177.57 179.29 1wf9 h SER 31 N 0.74 0.26 0.58 0.57 4.64 -1.62 0.70 113.55 119.41 1wf9 h SER 31 Ca 0.52 0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.76 1wf9 h SER 31 Cb 0.83 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1wf9 h SER 31 CO -0.28 0.17 -0.62 1.56 -0.87 0.00 0.00 176.83 176.79 1wf9 h GLN 32 N 0.42 0.04 0.46 4.77 4.20 -1.06 -2.07 115.11 121.87 1wf9 h GLN 32 Ca 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1wf9 h GLN 32 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1wf9 h GLN 32 CO -0.24 0.64 -0.22 1.25 -0.67 0.00 0.00 178.83 179.59 1wf9 h LEU 33 N 0.03 -0.53 -0.51 1.46 6.46 0.89 -2.10 115.31 121.00 1wf9 h LEU 33 Ca -0.01 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 1wf9 h LEU 33 Cb 1.09 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 41.06 1wf9 h LEU 33 CO 0.08 -0.20 -0.19 0.11 -0.62 0.00 0.00 178.44 177.61 1wf9 h LYS 34 N -0.97 -0.07 -0.75 1.25 6.56 0.26 0.18 116.57 123.03 1wf9 h LYS 34 Ca -0.06 0.01 0.17 0.00 -1.06 0.00 0.00 60.65 59.70 1wf9 h LYS 34 Cb 0.48 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.04 1wf9 h LYS 34 CO 0.10 -0.05 0.17 1.15 -2.06 0.00 0.00 179.45 178.76 1wf9 h THR 35 N -0.08 0.48 0.00 -0.16 2.02 -1.42 1.99 112.91 115.75 1wf9 h THR 35 Ca 0.24 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1wf9 h THR 35 Cb 0.45 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1wf9 h THR 35 CO -0.57 0.05 0.00 0.18 0.37 0.00 0.00 175.52 175.55 1wf9 n LEU 36 N -5.18 0.00 -0.21 2.58 4.77 0.55 -0.87 117.00 118.64 1wf9 n LEU 36 Ca 0.15 0.97 0.23 0.00 -0.03 0.00 0.00 56.01 57.32 1wf9 n LEU 36 Cb 0.48 -0.47 0.59 0.00 -2.33 0.00 0.00 43.42 41.69 1wf9 n LEU 36 CO 0.11 -0.47 1.23 0.40 -1.33 0.00 0.00 177.39 177.34 1wf9 h ILE 37 N 0.00 0.63 0.00 -0.08 2.04 -0.87 1.07 117.51 120.30 1wf9 h ILE 37 Ca 0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1wf9 h ILE 37 Cb 0.00 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1wf9 h ILE 37 CO 0.00 0.04 -0.08 -0.61 0.00 0.00 0.00 178.15 177.51 1wf9 h GLN 38 N 0.24 0.00 0.00 2.37 -0.00 0.37 0.60 115.11 118.69 1wf9 h GLN 38 Ca 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 59.04 1wf9 h GLN 38 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.84 1wf9 h GLN 38 CO -0.12 0.08 -0.81 -3.47 0.00 0.00 0.00 178.83 174.51 1wf9 n ASP 39 N -4.37 1.84 0.17 -0.69 -0.08 0.33 0.66 116.55 114.41 1wf9 n ASP 39 Ca -0.03 0.54 -0.16 0.00 -1.51 0.00 0.00 54.79 53.64 1wf9 n ASP 39 Cb 0.16 -0.87 -0.08 0.00 2.34 0.00 0.00 41.12 42.67 1wf9 n ASP 39 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1wf9 h GLN 40 N -1.00 -0.73 0.00 -0.67 4.20 -0.33 -0.42 115.11 116.16 1wf9 h GLN 40 Ca -0.09 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wf9 h GLN 40 Cb 0.77 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1wf9 h GLN 40 CO -0.06 -0.49 0.00 1.28 -0.67 0.00 0.00 178.83 178.90 1wf9 n LEU 41 N -5.49 0.37 -3.37 1.46 4.77 0.21 -4.92 117.00 110.02 1wf9 n LEU 41 Ca -0.09 0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 1wf9 n LEU 41 Cb 0.40 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1wf9 n LEU 41 CO 0.22 -0.18 0.06 0.00 -1.33 0.00 0.00 177.39 176.15 1wf9 n GLN 42 N -1.86 -4.44 -4.60 3.23 1.13 -0.17 -4.70 117.38 105.97 1wf9 n GLN 42 Ca 0.05 0.84 -0.22 0.00 -1.94 0.00 0.00 57.00 55.72 1wf9 n GLN 42 Cb 0.33 -5.77 -0.15 0.00 0.11 0.00 0.00 30.24 24.76 1wf9 n GLN 42 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wf9 s ILE 43 N -3.39 1.22 0.12 5.09 1.01 0.21 -1.43 121.20 124.03 1wf9 s ILE 43 Ca 0.22 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 1wf9 s ILE 43 Cb -0.03 -1.05 -0.07 0.00 0.01 0.00 0.00 42.46 41.33 1wf9 s ILE 43 CO 0.74 0.23 1.14 -2.16 0.00 0.00 0.00 174.94 174.90 1wf9 s PRO 44 N -0.65 4.51 0.13 2.79 0.04 -1.26 -3.91 135.00 136.64 1wf9 s PRO 44 Ca 0.05 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1wf9 s PRO 44 Cb -0.07 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.07 1wf9 s PRO 44 CO 0.00 -0.09 1.57 0.82 0.04 0.00 0.00 177.00 179.34 1wf9 h ILE 45 N 4.12 0.06 -1.56 0.56 2.04 -1.89 1.70 117.51 122.54 1wf9 h ILE 45 Ca -0.43 0.00 0.45 0.00 1.00 0.00 0.00 64.86 65.88 1wf9 h ILE 45 Cb 1.21 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1wf9 h ILE 45 CO 0.76 0.00 1.28 1.12 0.00 0.00 0.00 178.15 181.31 1wf9 h HIS 46 N -0.52 0.00 0.03 1.37 2.07 -2.00 0.84 115.15 116.94 1wf9 h HIS 46 Ca 0.06 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.24 1wf9 h HIS 46 Cb 0.65 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.59 1wf9 h HIS 46 CO -0.56 0.00 -1.93 0.09 -3.07 0.00 0.00 177.93 172.46 1wf9 n ASN 47 N -3.73 1.97 -4.65 3.10 4.13 0.23 -4.92 115.26 111.38 1wf9 n ASN 47 Ca 0.35 0.27 -0.47 0.00 1.68 0.00 0.00 54.58 56.42 1wf9 n ASN 47 Cb 1.76 -0.83 -0.04 0.00 -1.54 0.00 0.00 39.78 39.13 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 -4.00 1.87 -3.66 3.52 6.02 0.52 -3.83 117.38 117.81 1wf9 n GLN 48 Ca -0.40 0.67 -0.29 0.00 -0.01 0.00 0.00 57.00 56.97 1wf9 n GLN 48 Cb 0.86 -2.35 -0.15 0.00 1.02 0.00 0.00 30.24 29.63 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 0.35 0.51 0.19 5.09 2.01 0.53 -4.83 115.64 119.49 1wf9 s THR 49 Ca 0.75 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 1wf9 s THR 49 Cb -0.72 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 70.32 1wf9 s THR 49 CO 0.45 -0.68 0.71 -0.76 -0.69 0.00 0.00 174.62 173.65 1wf9 s LEU 50 N 1.81 4.40 -0.18 4.42 1.43 -1.26 -0.91 118.68 128.38 1wf9 s LEU 50 Ca 0.09 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.34 1wf9 s LEU 50 Cb -0.17 -3.46 0.09 0.00 0.03 0.00 0.00 46.19 42.68 1wf9 s LEU 50 CO -0.29 0.09 0.79 -0.55 0.23 0.00 0.00 176.35 176.62 1wf9 s SER 51 N -1.52 -0.62 -0.16 2.29 0.15 -1.17 -4.23 113.70 108.44 1wf9 s SER 51 Ca 0.40 0.98 0.06 0.00 0.70 0.00 0.00 55.95 58.09 1wf9 s SER 51 Cb -0.18 0.92 0.43 0.00 -1.71 0.00 0.00 66.02 65.48 1wf9 s SER 51 CO 0.22 -0.37 1.27 0.35 1.20 0.00 0.00 173.24 175.91 1wf9 n THR 52 N 1.77 1.69 -3.93 6.45 -2.24 -1.26 -2.89 114.28 113.87 1wf9 n THR 52 Ca -0.15 -0.84 -0.30 0.00 -2.27 0.00 0.00 64.05 60.50 1wf9 n THR 52 Cb 0.56 -0.47 -0.16 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.38 3.41 0.63 3.42 3.84 -1.26 -4.97 114.94 119.64 1wf9 s ASN 53 Ca 0.30 -0.95 0.29 0.00 0.21 0.00 0.00 52.86 52.71 1wf9 s ASN 53 Cb 0.24 -1.08 1.57 0.00 -0.55 0.00 0.00 41.25 41.43 1wf9 s ASN 53 CO 0.08 -0.21 1.88 0.08 -2.79 0.00 0.00 177.10 176.14 1wf9 h ARG 54 N 8.02 0.00 0.00 0.43 -0.00 -2.01 0.52 114.38 121.35 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 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 1wf9 h ARG 54 CO 0.42 0.00 0.00 -0.91 -0.00 0.00 0.00 179.97 179.48 1wf9 h ASN 55 N 0.00 0.00 -0.38 0.08 2.35 -1.96 -1.54 115.58 114.13 1wf9 h ASN 55 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1wf9 h ASN 55 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1wf9 h ASN 55 CO 0.00 0.00 0.23 0.25 -1.65 0.00 0.00 177.43 176.26 1wf9 h LEU 56 N 0.00 0.38 -2.02 1.61 5.85 -0.33 0.78 115.31 121.59 1wf9 h LEU 56 Ca 0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1wf9 h LEU 56 Cb 0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1wf9 h LEU 56 CO 0.00 0.28 0.37 -0.07 -0.34 0.00 0.00 178.44 178.67 1wf9 h LEU 57 N 0.47 0.00 -0.01 2.25 4.07 -1.48 0.18 115.31 120.79 1wf9 h LEU 57 Ca 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1wf9 h LEU 57 Cb -0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1wf9 h LEU 57 CO -0.06 0.00 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.18 1wf9 h LEU 58 N 0.00 0.07 -9.03 1.67 3.38 -0.97 -3.44 115.31 106.99 1wf9 h LEU 58 Ca 0.09 -0.64 -0.84 0.00 0.09 0.00 0.00 57.88 56.58 1wf9 h LEU 58 Cb 0.83 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.58 1wf9 h LEU 58 CO -0.00 0.70 0.59 0.00 0.09 0.00 0.00 178.44 179.82 1wf9 n ALA 59 N -2.44 -1.62 -0.05 1.53 0.00 0.64 -4.81 120.51 113.76 1wf9 n ALA 59 Ca -0.09 0.50 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 1wf9 n ALA 59 Cb 0.35 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 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 3.67 2.28 -2.85 0.00 5.02 -1.26 -4.92 118.16 120.10 1wf9 n LYS 60 Ca 0.28 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.37 1wf9 n LYS 60 Cb -0.00 -1.26 0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wf9 s SER 61 N -4.21 5.24 0.02 4.39 0.01 -1.26 -5.04 113.70 112.85 1wf9 s SER 61 Ca -0.05 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 56.63 1wf9 s SER 61 Cb 0.03 -0.42 -0.22 0.00 0.21 0.00 0.00 66.02 65.63 1wf9 s SER 61 CO 0.42 -1.15 1.15 1.55 0.41 0.00 0.00 173.24 175.61 1wf9 h PRO 62 N 0.21 0.45 -0.29 12.44 0.13 -2.00 -3.12 132.00 139.83 1wf9 h PRO 62 Ca -0.38 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.29 1wf9 h PRO 62 Cb 1.28 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 1wf9 h PRO 62 CO 0.45 1.09 0.09 0.66 -0.23 0.00 0.00 178.00 180.06 1wf9 h SER 63 N -0.02 0.36 -0.48 1.44 4.64 -1.99 -1.89 113.55 115.62 1wf9 h SER 63 Ca -0.06 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wf9 h SER 63 Cb 1.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1wf9 h SER 63 CO 0.12 0.36 0.31 -0.78 -0.87 0.00 0.00 176.83 175.96 1wf9 h ASP 64 N 0.40 0.55 0.43 4.97 3.58 -1.96 -0.81 116.42 123.59 1wf9 h ASP 64 Ca 0.10 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1wf9 h ASP 64 Cb 0.13 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 1wf9 h ASP 64 CO -0.01 0.41 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.43 1wf9 h PHE 65 N 0.64 0.00 0.00 0.28 0.04 -1.29 -0.34 116.94 116.27 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 -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1wf9 h PHE 65 CO -0.04 0.07 0.00 -0.07 -0.60 0.00 0.00 178.31 177.68 1wf9 h LEU 66 N 0.00 0.00 -1.26 1.54 3.38 -0.71 -2.11 115.31 116.15 1wf9 h LEU 66 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1wf9 h LEU 66 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1wf9 h LEU 66 CO 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.28 1wf9 h ALA 67 N 2.17 1.10 -2.33 1.53 0.00 -0.90 -3.38 119.26 117.46 1wf9 h ALA 67 Ca 0.00 -0.24 -0.75 0.00 0.00 0.00 0.00 54.91 53.93 1wf9 h ALA 67 Cb 0.48 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 17.97 1wf9 h ALA 67 CO 0.00 0.33 -0.29 -0.06 0.00 0.00 0.00 179.25 179.23 1wf9 s PHE 68 N -3.81 3.33 -0.54 0.00 0.40 -0.79 -4.94 117.98 111.63 1wf9 s PHE 68 Ca -0.01 -1.54 0.07 0.00 -0.60 0.00 0.00 56.93 54.85 1wf9 s PHE 68 Cb 0.11 -3.68 0.30 0.00 0.51 0.00 0.00 43.02 40.26 1wf9 s PHE 68 CO 0.65 -1.01 0.78 0.25 0.70 0.00 0.00 175.22 176.58 1wf9 n THR 69 N 5.08 1.72 -0.04 0.64 -2.24 -1.26 -4.76 114.28 113.42 1wf9 n THR 69 Ca -0.11 -5.05 -0.03 0.00 -2.27 0.00 0.00 64.05 56.59 1wf9 n THR 69 Cb 0.40 -1.56 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 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 0.48 2.44 -1.49 3.42 8.00 -1.26 -4.65 116.55 123.49 1wf9 n ASP 70 Ca 0.28 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.80 1wf9 n ASP 70 Cb 0.46 0.90 0.07 0.00 -0.02 0.00 0.00 41.12 42.54 1wf9 n ASP 70 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1wf9 n MET 71 N -2.29 0.94 0.06 -1.24 2.81 -1.26 -4.78 117.12 111.36 1wf9 n MET 71 Ca -0.14 -2.73 -0.13 0.00 -1.81 0.00 0.00 57.70 52.89 1wf9 n MET 71 Cb 0.73 -0.83 -0.14 0.00 -0.71 0.00 0.00 33.22 32.28 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 1.32 0.31 -2.40 3.04 0.00 -1.82 -3.43 119.26 116.27 1wf9 h ALA 72 Ca -0.11 -1.06 -0.53 0.00 0.00 0.00 0.00 54.91 53.21 1wf9 h ALA 72 Cb 1.54 0.15 0.02 0.00 0.00 0.00 0.00 17.79 19.50 1wf9 h ALA 72 CO 0.13 1.18 1.07 0.34 0.00 0.00 0.00 179.25 181.98 1wf9 s ASP 73 N -6.85 6.57 0.20 0.00 2.15 -1.26 -4.88 116.67 112.60 1wf9 s ASP 73 Ca -0.05 2.50 0.06 0.00 0.43 0.00 0.00 52.55 55.49 1wf9 s ASP 73 Cb 0.08 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.26 1wf9 s ASP 73 CO 0.85 -0.94 1.46 1.55 -0.17 0.00 0.00 175.17 177.92 1wf9 h PRO 74 N 9.01 0.10 -0.13 4.34 0.13 -1.93 -2.75 132.00 140.77 1wf9 h PRO 74 Ca -0.43 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1wf9 h PRO 74 Cb 1.20 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wf9 h PRO 74 CO 0.94 0.83 0.00 0.27 -0.23 0.00 0.00 178.00 179.80 1wf9 n ASN 75 N -3.68 0.88 -4.83 1.44 0.23 -1.26 -1.92 115.26 106.11 1wf9 n ASN 75 Ca -0.02 -1.79 -0.38 0.00 -0.53 0.00 0.00 54.58 51.86 1wf9 n ASN 75 Cb 0.74 -0.09 -0.06 0.00 -2.08 0.00 0.00 39.78 38.30 1wf9 n ASN 75 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1wf9 s LEU 76 N -1.28 4.48 0.20 -4.53 2.96 -1.04 -4.93 118.68 114.54 1wf9 s LEU 76 Ca 0.21 1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 55.06 1wf9 s LEU 76 Cb 0.10 -2.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.12 1wf9 s LEU 76 CO 0.16 0.31 0.45 -0.13 -1.32 0.00 0.00 176.35 175.82 1wf9 s ARG 77 N -1.05 3.63 0.48 1.98 0.52 -1.26 0.12 118.95 123.38 1wf9 s ARG 77 Ca 0.24 -0.05 0.27 0.00 -0.52 0.00 0.00 55.73 55.67 1wf9 s ARG 77 Cb -0.17 -2.77 1.13 0.00 0.52 0.00 0.00 34.95 33.66 1wf9 s ARG 77 CO 0.14 0.37 1.91 -0.84 0.02 0.00 0.00 175.30 176.90 1wf9 h ILE 78 N 1.80 0.43 -0.32 1.52 3.07 -1.77 -2.53 117.51 119.70 1wf9 h ILE 78 Ca -0.47 -0.88 0.09 0.00 1.55 0.00 0.00 64.86 65.16 1wf9 h ILE 78 Cb 1.18 1.63 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 1wf9 h ILE 78 CO 0.70 0.15 0.33 0.77 -1.05 0.00 0.00 178.15 179.05 1wf9 h SER 79 N 0.00 0.00 -0.38 2.16 4.64 -1.86 0.32 113.55 118.43 1wf9 h SER 79 Ca -0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1wf9 h SER 79 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1wf9 h SER 79 CO 0.02 0.00 0.30 -1.28 -0.87 0.00 0.00 176.83 175.00 1wf9 h SER 80 N 0.00 0.00 0.00 4.97 0.87 -1.86 -0.03 113.55 117.50 1wf9 h SER 80 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1wf9 h SER 80 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1wf9 h SER 80 CO -0.00 0.00 -0.79 0.18 -0.53 0.00 0.00 176.83 175.69 1wf9 n LEU 81 N -4.23 0.33 -2.57 2.23 4.77 0.95 -5.04 117.00 113.44 1wf9 n LEU 81 Ca 0.06 -0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1wf9 n LEU 81 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1wf9 n LEU 81 CO 0.34 0.08 0.24 0.59 -1.33 0.00 0.00 177.39 177.31 1wf9 n ASN 82 N -1.43 -6.01 -4.35 -1.43 3.02 -0.03 -4.99 115.26 100.05 1wf9 n ASN 82 Ca 0.01 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 1wf9 n ASN 82 Cb 0.19 -3.98 -0.11 0.00 -0.61 0.00 0.00 39.78 35.28 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wf9 s LEU 83 N -3.36 4.86 0.42 3.41 1.43 -1.23 -5.01 118.68 119.21 1wf9 s LEU 83 Ca 0.00 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.02 1wf9 s LEU 83 Cb -0.00 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1wf9 s LEU 83 CO 0.52 -0.44 0.01 0.00 0.23 0.00 0.00 176.35 176.67 1wf9 s ALA 84 N 1.52 3.29 -0.27 4.21 0.00 -1.26 -4.79 121.76 124.47 1wf9 s ALA 84 Ca 0.02 -2.02 -0.43 0.00 0.00 0.00 0.00 51.96 49.54 1wf9 s ALA 84 Cb -0.20 0.16 -0.18 0.00 0.00 0.00 0.00 23.12 22.89 1wf9 s ALA 84 CO 0.06 -0.11 1.50 1.58 0.00 0.00 0.00 175.76 178.78 1wf9 n HIS 85 N -1.01 1.58 0.00 0.00 -0.00 -1.26 0.72 115.22 115.25 1wf9 n HIS 85 Ca -0.07 0.91 0.00 0.00 0.46 0.00 0.00 57.72 59.02 1wf9 n HIS 85 Cb 0.67 -2.27 0.00 0.00 -0.12 0.00 0.00 29.99 28.27 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 3.36 2.35 3.06 1.57 0.00 -1.23 -5.03 105.19 109.27 1wf9 n GLY 86 Ca 0.26 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 0.12 -2.75 -4.28 1.61 7.64 0.22 -4.91 113.62 111.26 1wf9 n SER 87 Ca 0.00 -0.24 -0.26 0.00 1.01 0.00 0.00 58.87 59.38 1wf9 n SER 87 Cb 0.00 -0.76 -0.14 0.00 -1.01 0.00 0.00 64.21 62.30 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 -3.14 1.40 -0.11 1.43 -2.45 -1.26 -4.11 119.30 111.07 1wf9 s MET 88 Ca 0.39 -1.03 -0.17 0.00 -1.25 0.00 0.00 55.69 53.63 1wf9 s MET 88 Cb -0.05 -1.58 0.04 0.00 1.25 0.00 0.00 34.83 34.49 1wf9 s MET 88 CO 0.44 0.40 0.42 0.08 1.05 0.00 0.00 175.02 177.41 1wf9 s VAL 89 N -0.88 0.02 0.25 10.11 1.01 0.04 -4.94 120.40 126.01 1wf9 s VAL 89 Ca 0.08 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1wf9 s VAL 89 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1wf9 s VAL 89 CO 0.03 -0.08 -0.00 -0.31 0.00 0.00 0.00 175.10 174.73 1wf9 s TYR 90 N -0.38 2.72 0.13 5.22 2.02 -1.14 0.76 117.35 126.68 1wf9 s TYR 90 Ca -0.05 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1wf9 s TYR 90 Cb -0.03 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1wf9 s TYR 90 CO 0.03 0.60 -0.11 -1.17 -1.57 0.00 0.00 175.55 173.33 1wf9 s LEU 91 N -3.56 2.47 -0.22 -1.29 2.96 0.53 -3.05 118.68 116.52 1wf9 s LEU 91 Ca 0.31 -0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1wf9 s LEU 91 Cb -0.07 -0.40 0.10 0.00 0.50 0.00 0.00 46.19 46.32 1wf9 s LEU 91 CO 0.20 -0.26 0.48 0.00 -1.32 0.00 0.00 176.35 175.45 1wf9 s ALA 92 N -2.76 -1.38 0.20 5.97 0.00 -0.09 -4.03 121.76 119.66 1wf9 s ALA 92 Ca 0.12 1.72 0.05 0.00 0.00 0.00 0.00 51.96 53.84 1wf9 s ALA 92 Cb -0.01 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1wf9 s ALA 92 CO 0.01 -0.80 -0.06 1.52 0.00 0.00 0.00 175.76 176.43 1wf9 s TYR 93 N 2.68 1.48 -0.13 0.00 1.13 -1.25 0.20 117.35 121.45 1wf9 s TYR 93 Ca -0.03 -0.80 -0.06 0.00 -1.41 0.00 0.00 57.07 54.77 1wf9 s TYR 93 Cb -0.12 -0.80 -0.04 0.00 -1.10 0.00 0.00 41.96 39.90 1wf9 s TYR 93 CO -0.14 0.07 0.07 -2.00 -2.51 0.00 0.00 175.55 171.04 1wf9 s GLU 94 N -3.78 3.51 7.64 -3.49 2.12 -1.26 -4.92 118.70 118.52 1wf9 s GLU 94 Ca 0.23 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1wf9 s GLU 94 Cb 0.04 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.35 1wf9 s GLU 94 CO 0.05 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1wf9 n GLY 95 N 2.64 2.09 1.76 -1.50 0.00 -1.26 -4.89 105.19 104.03 1wf9 n GLY 95 Ca -0.18 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 11.61 0.27 -2.22 1.61 0.28 -1.26 -5.17 120.64 125.77 1wf9 n GLU 96 Ca 0.00 -1.82 -0.26 0.00 -0.16 0.00 0.00 57.16 54.92 1wf9 n GLU 96 Cb 0.00 1.45 0.06 0.00 1.43 0.00 0.00 31.44 34.38 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 -2.75 2.31 0.00 3.44 0.52 -1.26 -4.94 118.95 116.27 1wf9 s ARG 97 Ca 0.21 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1wf9 s ARG 97 Cb 0.01 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1wf9 s ARG 97 CO 0.15 -1.17 0.00 0.25 0.02 0.00 0.00 175.30 174.55 1wf9 n THR 98 N -2.88 0.00 -3.43 0.02 -2.24 -0.51 -5.05 114.28 100.18 1wf9 n THR 98 Ca 0.07 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.46 1wf9 n THR 98 Cb 0.60 -1.51 -0.09 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 0.22 5.20 0.94 2.28 1.01 -1.26 -4.99 121.20 124.59 1wf9 s ILE 99 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 1wf9 s ILE 99 Cb 0.00 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.65 1wf9 s ILE 99 CO 0.00 0.13 -0.60 -2.11 0.00 0.00 0.00 174.94 172.36 1wf9 n ARG 100 N 5.29 -0.02 0.00 2.79 1.85 -1.26 -4.95 116.66 120.36 1wf9 n ARG 100 Ca -0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1wf9 n ARG 100 Cb 0.51 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.82 1wf9 n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wf9 n GLY 101 N 3.17 2.11 0.67 2.89 0.00 -1.26 -5.17 105.19 107.60 1wf9 n GLY 101 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.85 0.00 1.61 2.88 -1.26 -5.07 113.62 107.93 1wf9 n SER 102 Ca 0.00 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1wf9 n SER 102 Cb 0.00 -2.22 0.00 0.00 -0.75 0.00 0.00 64.21 61.24 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 -3.23 1.50 3.61 0.46 0.00 -1.26 -5.12 105.19 101.15 1wf9 n GLY 103 Ca -0.03 0.47 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 3.66 -0.27 1.61 0.04 -1.26 -4.99 135.00 133.78 1wf9 s PRO 104 Ca 0.00 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 61.94 1wf9 s PRO 104 Cb 0.00 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1wf9 s PRO 104 CO 0.00 -1.46 0.26 0.45 0.04 0.00 0.00 177.00 176.29 1wf9 s SER 105 N 3.69 6.11 -0.35 6.66 0.15 -1.26 -5.05 113.70 123.66 1wf9 s SER 105 Ca 0.60 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.25 1wf9 s SER 105 Cb -0.15 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1wf9 s SER 105 CO 0.30 -0.10 0.21 -0.55 1.20 0.00 0.00 173.24 174.31 1wf9 s SER 106 N 1.70 5.83 0.00 5.45 0.15 -1.26 -5.36 113.70 120.21 1wf9 s SER 106 Ca 0.10 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1wf9 s SER 106 Cb -0.16 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1wf9 s SER 106 CO 0.10 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.87