#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf8 s SER 2 N 0.00 3.81 0.59 1.61 0.01 -1.26 -4.98 113.70 113.49 1wf8 s SER 2 Ca 0.00 1.50 -0.20 0.00 1.31 0.00 0.00 55.95 58.56 1wf8 s SER 2 Cb 0.00 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1wf8 s SER 2 CO 0.00 -2.42 1.30 -0.44 0.41 0.00 0.00 173.24 172.08 1wf8 s SER 3 N -3.51 5.02 0.00 2.44 0.01 -1.26 -4.98 113.70 111.42 1wf8 s SER 3 Ca 0.63 2.63 0.00 0.00 1.31 0.00 0.00 55.95 60.51 1wf8 s SER 3 Cb -0.17 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1wf8 s SER 3 CO 0.56 -1.73 0.00 0.61 0.41 0.00 0.00 173.24 173.10 1wf8 n GLY 4 N 0.75 3.48 3.13 3.44 0.00 -1.26 -5.13 105.19 109.59 1wf8 n GLY 4 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1wf8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf8 s SER 5 N 0.00 -1.31 -0.34 1.61 0.01 -1.26 -5.11 113.70 107.30 1wf8 s SER 5 Ca 0.00 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.68 1wf8 s SER 5 Cb 0.00 1.68 0.10 0.00 0.21 0.00 0.00 66.02 68.01 1wf8 s SER 5 CO 0.00 -0.15 0.05 -0.44 0.41 0.00 0.00 173.24 173.11 1wf8 s SER 6 N 1.92 4.73 -0.50 2.44 0.01 -1.26 -5.01 113.70 116.04 1wf8 s SER 6 Ca 0.16 -2.12 0.06 0.00 1.31 0.00 0.00 55.95 55.35 1wf8 s SER 6 Cb -0.03 -1.60 0.21 0.00 0.21 0.00 0.00 66.02 64.81 1wf8 s SER 6 CO -0.09 -0.38 0.50 0.61 0.41 0.00 0.00 173.24 174.29 1wf8 n GLY 7 N 4.28 3.18 3.42 3.44 0.00 -1.26 -5.09 105.19 113.16 1wf8 n GLY 7 Ca 0.03 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1wf8 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf8 s LEU 8 N -1.06 2.47 -0.86 0.99 2.01 -1.26 -4.00 118.68 116.96 1wf8 s LEU 8 Ca 0.33 -0.56 -0.25 0.00 0.01 0.00 0.00 54.13 53.66 1wf8 s LEU 8 Cb 0.09 -1.41 0.04 0.00 0.01 0.00 0.00 46.19 44.91 1wf8 s LEU 8 CO -0.13 0.22 1.38 -0.70 1.01 0.00 0.00 176.35 178.13 1wf8 s GLU 9 N -1.67 3.34 -0.42 1.70 2.12 0.52 -4.82 118.70 119.46 1wf8 s GLU 9 Ca 0.15 -0.60 -0.19 0.00 0.36 0.00 0.00 54.97 54.68 1wf8 s GLU 9 Cb -0.10 -4.71 0.02 0.00 0.26 0.00 0.00 34.13 29.59 1wf8 s GLU 9 CO 0.06 -2.21 0.55 -0.51 -0.54 0.00 0.00 175.26 172.60 1wf8 s LEU 10 N 5.58 4.59 -0.03 2.70 1.43 -1.25 -0.96 118.68 130.75 1wf8 s LEU 10 Ca 0.41 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1wf8 s LEU 10 Cb -0.05 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1wf8 s LEU 10 CO 0.04 -0.66 -0.11 0.72 0.23 0.00 0.00 176.35 176.57 1wf8 s PHE 11 N 2.52 1.10 0.16 0.29 -0.71 -0.74 -4.97 117.98 115.62 1wf8 s PHE 11 Ca 0.18 -0.28 -0.30 0.00 -1.04 0.00 0.00 56.93 55.49 1wf8 s PHE 11 Cb -0.15 -0.77 -0.07 0.00 -1.21 0.00 0.00 43.02 40.81 1wf8 s PHE 11 CO 0.16 -0.11 1.12 -1.25 -1.34 0.00 0.00 175.22 173.80 1wf8 s PRO 12 N 0.15 4.56 -0.13 1.99 0.04 -1.26 -1.94 135.00 138.40 1wf8 s PRO 12 Ca -0.03 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wf8 s PRO 12 Cb -0.09 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1wf8 s PRO 12 CO 0.01 0.01 -0.10 0.08 0.04 0.00 0.00 177.00 177.03 1wf8 s VAL 13 N -0.04 1.28 0.11 -0.36 1.01 0.50 -4.91 120.40 117.99 1wf8 s VAL 13 Ca 0.51 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 1wf8 s VAL 13 Cb -0.30 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 1wf8 s VAL 13 CO 0.34 0.39 0.87 -1.61 0.00 0.00 0.00 175.10 175.09 1wf8 s GLU 14 N 1.60 4.62 -0.02 2.72 2.02 -1.26 0.14 118.70 128.52 1wf8 s GLU 14 Ca 0.05 1.28 0.01 0.00 0.02 0.00 0.00 54.97 56.32 1wf8 s GLU 14 Cb -0.13 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.77 1wf8 s GLU 14 CO -0.09 0.31 -0.03 -0.51 0.02 0.00 0.00 175.26 174.96 1wf8 s LEU 15 N -0.27 1.54 -0.30 1.80 1.43 0.27 -4.94 118.68 118.21 1wf8 s LEU 15 Ca 0.42 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1wf8 s LEU 15 Cb -0.23 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 1wf8 s LEU 15 CO 0.27 -0.03 0.19 -1.61 0.23 0.00 0.00 176.35 175.40 1wf8 s GLU 16 N 0.54 3.65 0.67 1.70 2.02 -1.26 0.14 118.70 126.16 1wf8 s GLU 16 Ca -0.06 -0.52 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 1wf8 s GLU 16 Cb -0.09 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 1wf8 s GLU 16 CO -0.01 -0.32 0.76 1.63 0.02 0.00 0.00 175.26 177.34 1wf8 n LYS 17 N 5.05 0.53 -4.51 1.61 5.02 0.69 -4.84 118.16 121.70 1wf8 n LYS 17 Ca -0.14 0.22 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 1wf8 n LYS 17 Cb 0.51 -2.00 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1wf8 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wf8 s ASP 18 N -1.43 2.78 0.53 4.39 1.01 0.53 -4.90 116.67 119.58 1wf8 s ASP 18 Ca 0.71 -1.64 0.47 0.00 0.71 0.00 0.00 52.55 52.80 1wf8 s ASP 18 Cb -0.38 0.45 1.62 0.00 1.01 0.00 0.00 42.92 45.62 1wf8 s ASP 18 CO 0.52 -0.90 1.48 -1.84 0.21 0.00 0.00 175.17 174.64 1wf8 n GLU 19 N -0.90 0.00 -2.54 8.23 0.00 -1.26 0.22 120.64 124.40 1wf8 n GLU 19 Ca -0.06 1.03 -0.26 0.00 0.00 0.00 0.00 57.16 57.87 1wf8 n GLU 19 Cb 0.65 -2.39 -0.00 0.00 0.00 0.00 0.00 31.44 29.70 1wf8 n GLU 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1wf8 n ASP 20 N -3.80 4.56 0.00 -1.84 2.03 -1.26 -5.08 116.55 111.16 1wf8 n ASP 20 Ca 0.42 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 52.05 1wf8 n ASP 20 Cb 1.91 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 1wf8 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf8 n GLY 21 N -0.44 2.83 0.08 0.27 0.00 0.61 -3.09 105.19 105.45 1wf8 n GLY 21 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1wf8 n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wf8 h LEU 22 N 0.00 -0.05 -0.59 0.99 3.38 -1.88 1.56 115.31 118.71 1wf8 h LEU 22 Ca 0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1wf8 h LEU 22 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wf8 h LEU 22 CO 0.00 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1wf8 n GLY 23 N 1.27 0.56 3.08 0.83 0.00 -1.18 -0.37 105.19 109.38 1wf8 n GLY 23 Ca -0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1wf8 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wf8 s ILE 24 N -1.74 0.41 0.09 -0.61 -4.36 -1.26 -2.24 121.20 111.50 1wf8 s ILE 24 Ca 0.00 -1.46 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 1wf8 s ILE 24 Cb 0.00 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 1wf8 s ILE 24 CO 0.00 -0.70 -0.06 -0.44 0.24 0.00 0.00 174.94 173.98 1wf8 s SER 25 N -2.30 4.63 0.25 4.36 0.01 -0.08 -4.96 113.70 115.61 1wf8 s SER 25 Ca -0.01 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.05 1wf8 s SER 25 Cb -0.01 -0.99 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 1wf8 s SER 25 CO -0.04 0.19 -0.13 0.27 0.41 0.00 0.00 173.24 173.94 1wf8 s ILE 26 N -1.22 1.88 0.00 1.44 -4.36 -1.26 -1.15 121.20 116.54 1wf8 s ILE 26 Ca 0.22 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 1wf8 s ILE 26 Cb -0.11 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 1wf8 s ILE 26 CO 0.14 -0.46 -0.06 -0.51 0.24 0.00 0.00 174.94 174.30 1wf8 s ILE 27 N -2.88 0.43 -0.34 8.37 2.07 0.43 -4.37 121.20 124.90 1wf8 s ILE 27 Ca 0.26 -0.32 -0.19 0.00 -1.41 0.00 0.00 60.65 59.00 1wf8 s ILE 27 Cb -0.00 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.20 1wf8 s ILE 27 CO 0.10 0.06 0.54 -0.83 -1.91 0.00 0.00 174.94 172.91 1wf8 s GLY 28 N -0.29 1.80 0.11 1.50 0.00 -1.26 -1.58 107.32 107.60 1wf8 s GLY 28 Ca 0.01 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.84 1wf8 s GLY 28 CO -0.00 1.32 -0.14 1.06 0.00 0.00 0.00 173.10 175.34 1wf8 s MET 29 N 2.46 0.97 -0.48 2.90 -1.94 -0.94 -4.99 119.30 117.28 1wf8 s MET 29 Ca 0.20 -1.17 -0.15 0.00 -1.71 0.00 0.00 55.69 52.86 1wf8 s MET 29 Cb -0.15 -0.87 0.09 0.00 2.01 0.00 0.00 34.83 35.91 1wf8 s MET 29 CO 0.13 0.17 0.40 0.20 -0.01 0.00 0.00 175.02 175.91 1wf8 s GLY 30 N -2.29 2.05 0.13 -0.03 0.00 -1.26 0.21 107.32 106.12 1wf8 s GLY 30 Ca 0.06 -2.22 -0.23 0.00 0.00 0.00 0.00 44.72 42.34 1wf8 s GLY 30 CO 0.03 1.08 0.69 0.14 0.00 0.00 0.00 173.10 175.03 1wf8 s VAL 31 N 1.60 4.53 -0.52 1.40 1.01 -0.17 -4.40 120.40 123.85 1wf8 s VAL 31 Ca 0.04 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 1wf8 s VAL 31 Cb -0.25 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.12 1wf8 s VAL 31 CO 0.05 0.54 0.53 0.61 0.00 0.00 0.00 175.10 176.83 1wf8 n GLY 32 N 1.65 -0.42 3.59 4.51 0.00 -1.26 -0.90 105.19 112.35 1wf8 n GLY 32 Ca -0.08 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 1wf8 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 s ALA 33 N -1.96 3.44 -0.66 4.61 0.00 -1.26 -3.52 121.76 122.41 1wf8 s ALA 33 Ca 0.17 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1wf8 s ALA 33 Cb -0.02 -3.35 0.32 0.00 0.00 0.00 0.00 23.12 20.07 1wf8 s ALA 33 CO 0.74 -1.46 1.04 -0.25 0.00 0.00 0.00 175.76 175.83 1wf8 n ASP 34 N 6.40 4.80 0.00 0.00 8.00 -1.26 -4.88 116.55 129.61 1wf8 n ASP 34 Ca 0.03 -3.64 0.00 0.00 0.71 0.00 0.00 54.79 51.89 1wf8 n ASP 34 Cb 0.48 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1wf8 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wf8 n ALA 35 N -0.00 0.00 -0.41 2.24 0.00 -1.26 -2.23 120.51 118.85 1wf8 n ALA 35 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1wf8 n ALA 35 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wf8 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wf8 n GLY 36 N 0.00 -0.38 2.16 0.00 0.00 -1.26 -4.69 105.19 101.01 1wf8 n GLY 36 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1wf8 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wf8 n LEU 37 N -0.03 6.54 -4.79 0.99 4.32 -0.95 -4.97 117.00 118.11 1wf8 n LEU 37 Ca 0.00 -3.48 -0.34 0.00 -0.02 0.00 0.00 56.01 52.17 1wf8 n LEU 37 Cb 0.13 -0.81 -0.03 0.00 -1.62 0.00 0.00 43.42 41.09 1wf8 n LEU 37 CO 0.00 0.97 0.73 -1.83 -1.22 0.00 0.00 177.39 176.04 1wf8 s GLU 38 N -3.20 3.69 -0.39 3.23 -1.05 -1.26 -4.20 118.70 115.53 1wf8 s GLU 38 Ca 0.57 1.41 0.03 0.00 -0.15 0.00 0.00 54.97 56.83 1wf8 s GLU 38 Cb 0.47 -2.07 0.11 0.00 -0.44 0.00 0.00 34.13 32.19 1wf8 s GLU 38 CO 0.12 -0.53 0.12 0.15 0.95 0.00 0.00 175.26 176.06 1wf8 s LYS 39 N -3.28 1.50 0.16 -4.83 1.02 -0.08 -4.91 119.74 109.32 1wf8 s LYS 39 Ca 0.68 -1.97 -0.34 0.00 0.02 0.00 0.00 55.97 54.36 1wf8 s LYS 39 Cb -0.18 -3.04 -0.14 0.00 -0.52 0.00 0.00 37.83 33.94 1wf8 s LYS 39 CO 0.22 -1.00 1.52 -0.11 -0.92 0.00 0.00 175.35 175.06 1wf8 n LEU 40 N 4.00 2.83 -4.29 3.17 -0.00 -1.26 -1.00 117.00 120.46 1wf8 n LEU 40 Ca 0.04 1.10 -0.35 0.00 -0.00 0.00 0.00 56.01 56.79 1wf8 n LEU 40 Cb 0.39 -1.38 -0.14 0.00 -0.00 0.00 0.00 43.42 42.29 1wf8 n LEU 40 CO 0.24 -0.45 -0.39 -0.83 -0.00 0.00 0.00 177.39 175.96 1wf8 s GLY 41 N 0.77 1.60 -0.53 -3.96 0.00 0.57 -0.41 107.32 105.35 1wf8 s GLY 41 Ca 0.79 -1.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.04 1wf8 s GLY 41 CO 0.41 0.44 1.00 -0.42 0.00 0.00 0.00 173.10 174.52 1wf8 s ILE 42 N 1.45 4.33 0.30 0.90 -1.09 -1.25 -2.22 121.20 123.62 1wf8 s ILE 42 Ca 0.05 0.54 0.08 0.00 -2.23 0.00 0.00 60.65 59.09 1wf8 s ILE 42 Cb -0.14 -4.56 -0.03 0.00 -1.58 0.00 0.00 42.46 36.15 1wf8 s ILE 42 CO -0.04 -1.09 0.21 -0.36 -1.23 0.00 0.00 174.94 172.43 1wf8 s PHE 43 N 4.13 2.91 -0.48 3.97 0.40 -0.62 -1.69 117.98 126.60 1wf8 s PHE 43 Ca 0.35 -0.25 -0.23 0.00 -0.60 0.00 0.00 56.93 56.20 1wf8 s PHE 43 Cb -0.11 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.86 1wf8 s PHE 43 CO 0.23 0.35 0.82 0.08 0.70 0.00 0.00 175.22 177.40 1wf8 s VAL 44 N -2.28 4.59 0.16 -0.44 1.01 0.31 0.16 120.40 123.90 1wf8 s VAL 44 Ca 0.37 0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1wf8 s VAL 44 Cb -0.06 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.98 1wf8 s VAL 44 CO 0.25 -0.82 1.78 0.50 0.00 0.00 0.00 175.10 176.80 1wf8 h LYS 45 N 9.07 0.66 -2.43 2.72 1.63 -1.33 1.43 116.57 128.32 1wf8 h LYS 45 Ca -0.25 -0.07 0.18 0.00 -0.85 0.00 0.00 60.65 59.66 1wf8 h LYS 45 Cb 1.08 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.53 1wf8 h LYS 45 CO 1.00 0.51 0.61 -0.08 -3.45 0.00 0.00 179.45 178.03 1wf8 s THR 46 N -5.91 0.00 -0.07 1.00 -1.32 -1.23 -4.51 115.64 103.60 1wf8 s THR 46 Ca -0.13 -0.55 0.02 0.00 -1.21 0.00 0.00 61.69 59.82 1wf8 s THR 46 Cb 0.11 -2.75 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 1wf8 s THR 46 CO 0.75 0.00 -0.10 -0.69 -2.21 0.00 0.00 174.62 172.37 1wf8 s VAL 47 N -2.30 0.97 0.22 5.08 1.01 -1.26 -0.90 120.40 123.21 1wf8 s VAL 47 Ca 0.21 -0.36 -0.32 0.00 0.00 0.00 0.00 61.98 61.51 1wf8 s VAL 47 Cb -0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 36.38 35.31 1wf8 s VAL 47 CO 0.04 0.32 1.56 0.41 0.00 0.00 0.00 175.10 177.44 1wf8 n THR 48 N 4.03 0.46 -1.89 3.92 -1.04 -0.95 -4.83 114.28 113.99 1wf8 n THR 48 Ca -0.22 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.37 1wf8 n THR 48 Cb 0.51 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1wf8 n THR 48 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1wf8 s GLU 49 N 0.32 2.36 0.00 -2.82 2.12 -1.26 -1.36 118.70 118.05 1wf8 s GLU 49 Ca 0.72 0.45 0.00 0.00 0.36 0.00 0.00 54.97 56.50 1wf8 s GLU 49 Cb -0.60 -4.69 0.00 0.00 0.26 0.00 0.00 34.13 29.10 1wf8 s GLU 49 CO 0.42 -3.29 0.00 0.41 -0.54 0.00 0.00 175.26 172.26 1wf8 n GLY 50 N 6.28 1.96 3.67 -1.50 0.00 -1.26 -5.10 105.19 109.23 1wf8 n GLY 50 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 1wf8 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf8 n GLY 51 N -0.90 0.61 0.22 -0.02 0.00 -0.47 -4.80 105.19 99.85 1wf8 n GLY 51 Ca 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 1wf8 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 h ALA 52 N -0.62 0.52 -0.08 4.61 0.00 -0.96 0.25 119.26 122.98 1wf8 h ALA 52 Ca -0.31 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 1wf8 h ALA 52 Cb 1.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1wf8 h ALA 52 CO 0.33 0.38 -0.64 0.00 0.00 0.00 0.00 179.25 179.33 1wf8 h ALA 53 N 0.84 0.77 0.36 0.00 0.00 -1.80 -2.81 119.26 116.61 1wf8 h ALA 53 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1wf8 h ALA 53 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wf8 h ALA 53 CO 0.04 0.75 -0.17 0.37 0.00 0.00 0.00 179.25 180.23 1wf8 h GLN 54 N 0.21 -0.46 -0.93 0.00 -0.00 -1.74 -2.62 115.11 109.57 1wf8 h GLN 54 Ca -0.01 0.03 0.26 0.00 -0.00 0.00 0.00 58.65 58.93 1wf8 h GLN 54 Cb 1.17 0.11 -0.17 0.00 0.00 0.00 0.00 27.48 28.59 1wf8 h GLN 54 CO 0.10 -0.31 0.09 0.00 0.00 0.00 0.00 178.83 178.72 1wf8 h ARG 55 N -0.70 0.06 0.07 1.69 3.08 -0.61 0.36 114.38 118.34 1wf8 h ARG 55 Ca -0.05 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1wf8 h ARG 55 Cb 0.37 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1wf8 h ARG 55 CO 0.08 0.04 -0.38 0.22 -1.07 0.00 0.00 179.97 178.86 1wf8 h ASP 56 N 0.06 -1.13 0.00 7.04 1.82 -1.51 -3.46 116.42 119.24 1wf8 h ASP 56 Ca 0.57 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.35 1wf8 h ASP 56 Cb 1.18 0.44 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1wf8 h ASP 56 CO -0.82 -0.45 0.00 0.61 -1.61 0.00 0.00 179.24 176.97 1wf8 n GLY 57 N -1.45 2.94 0.05 -0.78 0.00 0.13 -4.91 105.19 101.17 1wf8 n GLY 57 Ca -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1wf8 n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wf8 h ARG 58 N 0.00 -0.07 -6.50 1.61 1.12 -1.84 -3.39 114.38 105.30 1wf8 h ARG 58 Ca 0.00 0.00 -0.53 0.00 -1.11 0.00 0.00 59.98 58.34 1wf8 h ARG 58 Cb 0.00 0.02 0.02 0.00 -0.01 0.00 0.00 29.97 30.00 1wf8 h ARG 58 CO 0.00 -0.05 0.89 0.42 -3.11 0.00 0.00 179.97 178.12 1wf8 s ILE 59 N -3.27 3.07 0.47 1.20 1.01 -1.26 -5.00 121.20 117.42 1wf8 s ILE 59 Ca -0.02 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.33 1wf8 s ILE 59 Cb 0.01 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1wf8 s ILE 59 CO 0.06 0.02 0.06 -1.10 0.00 0.00 0.00 174.94 173.98 1wf8 s GLN 60 N 1.88 2.12 0.50 2.79 -0.21 -1.26 -4.70 119.66 120.78 1wf8 s GLN 60 Ca 0.69 -2.20 -0.20 0.00 0.02 0.00 0.00 55.36 53.68 1wf8 s GLN 60 Cb -0.39 -1.68 -0.08 0.00 1.00 0.00 0.00 33.01 31.86 1wf8 s GLN 60 CO 0.31 -0.24 1.05 0.08 -2.12 0.00 0.00 175.29 174.36 1wf8 s VAL 61 N -2.78 3.73 0.00 1.09 1.01 -1.26 -2.79 120.40 119.41 1wf8 s VAL 61 Ca 0.23 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1wf8 s VAL 61 Cb 0.04 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1wf8 s VAL 61 CO 0.12 -0.25 0.00 0.59 0.00 0.00 0.00 175.10 175.56 1wf8 n ASN 62 N -1.05 -0.33 -4.62 3.32 3.02 0.49 -4.94 115.26 111.15 1wf8 n ASN 62 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1wf8 n ASN 62 Cb 0.52 -0.47 0.19 0.00 -0.61 0.00 0.00 39.78 39.41 1wf8 n ASN 62 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wf8 s ASP 63 N -2.75 2.39 -0.23 6.41 1.11 -1.12 -4.43 116.67 118.04 1wf8 s ASP 63 Ca 0.00 1.81 0.01 0.00 0.18 0.00 0.00 52.55 54.55 1wf8 s ASP 63 Cb 0.00 -2.40 0.06 0.00 1.07 0.00 0.00 42.92 41.64 1wf8 s ASP 63 CO 0.00 -3.37 -0.07 -1.58 1.18 0.00 0.00 175.17 171.33 1wf8 s GLN 64 N -4.64 1.76 -1.09 8.23 0.74 -1.26 0.11 119.66 123.51 1wf8 s GLN 64 Ca 0.66 -1.01 -0.21 0.00 0.05 0.00 0.00 55.36 54.86 1wf8 s GLN 64 Cb -0.22 -2.59 0.08 0.00 1.10 0.00 0.00 33.01 31.37 1wf8 s GLN 64 CO 0.60 -0.57 1.47 0.42 -0.55 0.00 0.00 175.29 176.66 1wf8 s ILE 65 N 1.36 4.17 0.21 -2.34 1.01 -0.68 -2.01 121.20 122.92 1wf8 s ILE 65 Ca -0.05 -1.29 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 1wf8 s ILE 65 Cb -0.19 -5.04 0.14 0.00 0.01 0.00 0.00 42.46 37.39 1wf8 s ILE 65 CO -0.06 -1.87 1.76 0.58 0.00 0.00 0.00 174.94 175.34 1wf8 h VAL 66 N 6.21 1.26 -4.01 2.92 2.07 -1.48 -3.38 116.25 119.84 1wf8 h VAL 66 Ca 0.26 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 1wf8 h VAL 66 Cb 0.97 0.40 -0.15 0.00 -1.52 0.00 0.00 31.29 30.98 1wf8 h VAL 66 CO 1.37 0.35 -0.55 -0.70 0.02 0.00 0.00 177.57 178.07 1wf8 s GLU 67 N -5.45 0.67 -0.11 1.57 2.12 -1.17 -0.86 118.70 115.48 1wf8 s GLU 67 Ca -0.12 -1.03 -0.04 0.00 0.36 0.00 0.00 54.97 54.14 1wf8 s GLU 67 Cb 0.15 0.25 0.06 0.00 0.26 0.00 0.00 34.13 34.86 1wf8 s GLU 67 CO 0.84 -0.17 0.18 0.08 -0.54 0.00 0.00 175.26 175.66 1wf8 s VAL 68 N -3.58 -0.29 -1.36 3.70 1.01 0.52 -0.89 120.40 119.51 1wf8 s VAL 68 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1wf8 s VAL 68 Cb 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1wf8 s VAL 68 CO -0.09 0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.56 1wf8 n ASP 69 N 5.33 -3.51 0.00 3.32 8.00 0.60 0.16 116.55 130.45 1wf8 n ASP 69 Ca -0.05 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1wf8 n ASP 69 Cb 0.50 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 1wf8 n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wf8 n GLY 70 N -0.30 2.36 3.75 0.44 0.00 -1.26 -4.92 105.19 105.26 1wf8 n GLY 70 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1wf8 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wf8 s ILE 71 N -2.38 2.85 -0.13 -0.61 1.01 0.43 -4.98 121.20 117.40 1wf8 s ILE 71 Ca 0.00 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.20 1wf8 s ILE 71 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1wf8 s ILE 71 CO 0.00 0.13 0.53 -0.94 0.00 0.00 0.00 174.94 174.66 1wf8 s SER 72 N 0.13 6.72 -0.39 3.58 1.04 -1.26 0.20 113.70 123.71 1wf8 s SER 72 Ca 0.56 0.86 0.05 0.00 0.48 0.00 0.00 55.95 57.90 1wf8 s SER 72 Cb -0.40 -2.31 0.47 0.00 0.10 0.00 0.00 66.02 63.88 1wf8 s SER 72 CO 0.44 -0.07 1.49 0.18 0.98 0.00 0.00 173.24 176.26 1wf8 n LEU 73 N 3.97 5.38 -4.68 2.42 4.77 -0.03 -4.95 117.00 123.87 1wf8 n LEU 73 Ca -0.05 -4.35 -0.35 0.00 -0.03 0.00 0.00 56.01 51.23 1wf8 n LEU 73 Cb 0.51 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1wf8 n LEU 73 CO 0.44 1.70 -0.30 -0.69 -1.33 0.00 0.00 177.39 177.21 1wf8 s VAL 74 N -4.25 4.42 -1.49 4.08 1.01 -1.25 -3.94 120.40 118.98 1wf8 s VAL 74 Ca 0.53 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1wf8 s VAL 74 Cb 0.43 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 34.00 1wf8 s VAL 74 CO 0.01 0.59 1.02 0.61 0.00 0.00 0.00 175.10 177.34 1wf8 n GLY 75 N 2.32 -0.51 3.11 4.51 0.00 0.45 -4.89 105.19 110.18 1wf8 n GLY 75 Ca -0.18 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1wf8 n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wf8 s VAL 76 N -3.29 1.03 0.43 1.61 -7.23 -1.22 -4.59 120.40 107.13 1wf8 s VAL 76 Ca 0.64 -0.80 -0.25 0.00 -1.81 0.00 0.00 61.98 59.76 1wf8 s VAL 76 Cb -0.31 -0.91 -0.08 0.00 0.56 0.00 0.00 36.38 35.64 1wf8 s VAL 76 CO 0.79 0.10 1.23 0.28 -0.31 0.00 0.00 175.10 177.19 1wf8 s THR 77 N -0.63 2.85 0.25 5.32 -1.32 -1.26 -4.64 115.64 116.20 1wf8 s THR 77 Ca 0.02 0.71 -0.06 0.00 -1.21 0.00 0.00 61.69 61.15 1wf8 s THR 77 Cb -0.07 -3.39 0.40 0.00 -1.51 0.00 0.00 72.50 67.94 1wf8 s THR 77 CO 0.01 0.06 1.38 1.67 -2.21 0.00 0.00 174.62 175.53 1wf8 n GLN 78 N -0.11 -0.08 -0.39 7.08 7.27 -1.26 0.67 117.38 130.56 1wf8 n GLN 78 Ca 0.05 1.38 -0.07 0.00 0.07 0.00 0.00 57.00 58.43 1wf8 n GLN 78 Cb 0.46 -2.07 -0.05 0.00 2.41 0.00 0.00 30.24 30.99 1wf8 n GLN 78 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1wf8 h ASN 79 N 0.00 -1.86 -0.14 1.69 2.35 -1.98 1.21 115.58 116.86 1wf8 h ASN 79 Ca 0.43 0.32 0.04 0.00 -0.55 0.00 0.00 56.30 56.54 1wf8 h ASN 79 Cb 0.68 0.86 -0.07 0.00 0.05 0.00 0.00 38.32 39.85 1wf8 h ASN 79 CO -0.91 -0.26 -0.43 0.15 -1.65 0.00 0.00 177.43 174.33 1wf8 h PHE 80 N -0.03 -1.24 -0.60 1.19 3.04 -0.10 0.57 116.94 119.78 1wf8 h PHE 80 Ca 0.23 0.05 0.08 0.00 3.98 0.00 0.00 57.97 62.31 1wf8 h PHE 80 Cb 0.49 0.56 -0.07 0.00 2.56 0.00 0.00 35.95 39.50 1wf8 h PHE 80 CO -0.95 -0.48 0.24 0.00 -2.02 0.00 0.00 178.31 175.10 1wf8 h ALA 81 N 0.09 0.77 -0.76 2.41 0.00 -0.50 0.12 119.26 121.39 1wf8 h ALA 81 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1wf8 h ALA 81 Cb 0.63 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1wf8 h ALA 81 CO -0.40 -0.16 0.45 0.00 0.00 0.00 0.00 179.25 179.13 1wf8 h ALA 82 N 1.39 1.04 -0.29 0.00 0.00 0.28 0.14 119.26 121.81 1wf8 h ALA 82 Ca 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1wf8 h ALA 82 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wf8 h ALA 82 CO -0.27 0.15 0.15 1.15 0.00 0.00 0.00 179.25 180.43 1wf8 h THR 83 N 0.81 1.13 0.66 0.00 2.02 0.21 -1.12 112.91 116.63 1wf8 h THR 83 Ca 0.34 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1wf8 h THR 83 Cb 0.19 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1wf8 h THR 83 CO -0.18 0.13 -0.42 0.58 0.37 0.00 0.00 175.52 176.00 1wf8 h VAL 84 N 0.35 0.16 -0.17 3.16 2.07 0.02 0.51 116.25 122.34 1wf8 h VAL 84 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1wf8 h VAL 84 Cb 0.07 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1wf8 h VAL 84 CO -0.02 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.94 1wf8 h LEU 85 N -1.02 0.00 0.00 2.57 3.38 -0.68 1.73 115.31 121.29 1wf8 h LEU 85 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1wf8 h LEU 85 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1wf8 h LEU 85 CO 0.08 0.00 -1.15 0.03 0.09 0.00 0.00 178.44 177.49 1wf8 h ARG 86 N 0.00 0.00 0.05 1.13 3.08 0.32 -3.33 114.38 115.63 1wf8 h ARG 86 Ca 0.08 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.86 1wf8 h ARG 86 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1wf8 h ARG 86 CO -0.00 0.14 -1.38 -0.91 -1.07 0.00 0.00 179.97 176.75 1wf8 h ASN 87 N 0.00 0.17 -1.87 7.04 2.35 0.72 -3.47 115.58 120.51 1wf8 h ASN 87 Ca -0.07 -0.23 -0.52 0.00 -0.55 0.00 0.00 56.30 54.92 1wf8 h ASN 87 Cb 1.27 -0.05 0.22 0.00 0.05 0.00 0.00 38.32 39.80 1wf8 h ASN 87 CO 0.02 1.19 -1.65 0.35 -1.65 0.00 0.00 177.43 175.70 1wf8 n THR 88 N -3.33 0.00 -4.21 2.81 -2.24 0.13 -5.00 114.28 102.45 1wf8 n THR 88 Ca -0.11 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1wf8 n THR 88 Cb 1.01 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1wf8 n THR 88 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wf8 n LYS 89 N 2.20 0.93 0.00 -0.78 5.02 -1.26 -5.05 118.16 119.22 1wf8 n LYS 89 Ca -0.00 -1.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1wf8 n LYS 89 Cb 0.51 0.65 0.00 0.00 -0.02 0.00 0.00 35.03 36.18 1wf8 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf8 n GLY 90 N 1.42 -0.27 3.75 0.72 0.00 -1.26 -3.93 105.19 105.62 1wf8 n GLY 90 Ca -0.03 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1wf8 n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wf8 s ASN 91 N -0.37 7.07 -0.02 1.61 3.04 -1.26 0.25 114.94 125.26 1wf8 s ASN 91 Ca 0.00 1.27 0.03 0.00 0.04 0.00 0.00 52.86 54.20 1wf8 s ASN 91 Cb 0.00 -2.41 -0.00 0.00 -1.54 0.00 0.00 41.25 37.30 1wf8 s ASN 91 CO 0.00 0.06 -0.10 -0.69 -3.04 0.00 0.00 177.10 173.33 1wf8 s VAL 92 N -0.12 0.81 -0.43 -5.21 1.01 0.38 -4.93 120.40 111.92 1wf8 s VAL 92 Ca 0.34 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1wf8 s VAL 92 Cb -0.19 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.56 1wf8 s VAL 92 CO 0.19 0.24 0.29 -0.60 0.00 0.00 0.00 175.10 175.22 1wf8 s ARG 93 N -0.07 2.76 -0.26 2.72 3.52 -1.26 0.96 118.95 127.32 1wf8 s ARG 93 Ca 0.01 -1.35 -0.11 0.00 -0.13 0.00 0.00 55.73 54.16 1wf8 s ARG 93 Cb -0.06 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 1wf8 s ARG 93 CO -0.00 -0.93 0.17 -0.06 -0.81 0.00 0.00 175.30 173.67 1wf8 s PHE 94 N 1.52 3.25 -0.72 5.12 0.08 0.36 0.22 117.98 127.81 1wf8 s PHE 94 Ca 0.03 0.13 -0.15 0.00 0.12 0.00 0.00 56.93 57.06 1wf8 s PHE 94 Cb -0.23 -2.33 0.18 0.00 -0.57 0.00 0.00 43.02 40.08 1wf8 s PHE 94 CO 0.04 -0.08 0.67 0.08 -0.10 0.00 0.00 175.22 175.83 1wf8 s VAL 95 N 1.48 5.45 0.56 -0.44 1.01 -0.07 0.19 120.40 128.57 1wf8 s VAL 95 Ca 0.07 -2.08 -0.15 0.00 0.00 0.00 0.00 61.98 59.82 1wf8 s VAL 95 Cb -0.15 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 1wf8 s VAL 95 CO 0.08 -0.98 1.00 -0.63 0.00 0.00 0.00 175.10 174.58 1wf8 s ILE 96 N 0.76 4.57 -0.28 2.22 -1.09 -0.82 -1.31 121.20 125.25 1wf8 s ILE 96 Ca 0.12 1.09 0.02 0.00 -2.23 0.00 0.00 60.65 59.65 1wf8 s ILE 96 Cb -0.18 -3.76 0.08 0.00 -1.58 0.00 0.00 42.46 37.02 1wf8 s ILE 96 CO -0.04 -0.85 -0.02 -0.83 -1.23 0.00 0.00 174.94 171.96 1wf8 s GLY 97 N -3.46 1.59 0.05 6.18 0.00 -0.85 -1.80 107.32 109.03 1wf8 s GLY 97 Ca 0.58 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1wf8 s GLY 97 CO 0.40 0.90 0.17 -1.60 0.00 0.00 0.00 173.10 172.96 1wf8 s ARG 98 N 1.17 3.28 -0.10 2.90 6.06 -0.13 -4.54 118.95 127.59 1wf8 s ARG 98 Ca 0.00 -0.48 -0.29 0.00 -2.50 0.00 0.00 55.73 52.45 1wf8 s ARG 98 Cb -0.19 -2.96 -0.04 0.00 0.06 0.00 0.00 34.95 31.81 1wf8 s ARG 98 CO -0.08 0.61 1.55 -1.21 -2.50 0.00 0.00 175.30 173.67 1wf8 s GLU 99 N -2.33 4.16 0.58 5.12 2.02 -1.26 0.20 118.70 127.18 1wf8 s GLU 99 Ca 0.32 2.00 -0.14 0.00 0.02 0.00 0.00 54.97 57.17 1wf8 s GLU 99 Cb -0.13 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.12 1wf8 s GLU 99 CO 0.24 -0.86 1.02 0.15 0.02 0.00 0.00 175.26 175.83 1wf8 s LYS 100 N 3.96 3.66 1.12 1.61 1.02 -1.26 -4.86 119.74 124.99 1wf8 s LYS 100 Ca 0.68 0.89 -0.19 0.00 0.02 0.00 0.00 55.97 57.38 1wf8 s LYS 100 Cb -0.29 -2.09 0.27 0.00 -0.52 0.00 0.00 37.83 35.19 1wf8 s LYS 100 CO 0.26 -0.52 1.24 -1.25 -0.92 0.00 0.00 175.35 174.15 1wf8 s PRO 101 N -4.62 -0.62 -0.47 -1.68 0.04 -1.26 -5.04 135.00 121.36 1wf8 s PRO 101 Ca 0.58 -0.37 0.03 0.00 0.04 0.00 0.00 61.00 61.28 1wf8 s PRO 101 Cb -0.11 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 32.93 1wf8 s PRO 101 CO 0.43 -3.26 0.83 0.45 0.04 0.00 0.00 177.00 175.49 1wf8 s SER 102 N -4.49 -1.14 0.00 6.66 0.15 -1.26 -5.14 113.70 108.48 1wf8 s SER 102 Ca 0.74 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1wf8 s SER 102 Cb -0.05 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 1wf8 s SER 102 CO 0.55 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.55 1wf8 n GLY 103 N 2.94 3.85 3.71 9.45 0.00 -1.26 -5.07 105.19 118.81 1wf8 n GLY 103 Ca 0.16 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1wf8 n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf8 s PRO 104 N -3.32 4.44 0.06 1.61 0.04 -1.26 -5.03 135.00 131.54 1wf8 s PRO 104 Ca 0.00 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1wf8 s PRO 104 Cb 0.00 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1wf8 s PRO 104 CO 0.00 -0.24 -0.20 -1.54 0.04 0.00 0.00 177.00 175.05 1wf8 s SER 105 N 1.09 2.45 0.29 6.66 1.04 -1.26 -5.13 113.70 118.83 1wf8 s SER 105 Ca 0.58 -0.57 -0.18 0.00 0.48 0.00 0.00 55.95 56.25 1wf8 s SER 105 Cb -0.28 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 65.57 1wf8 s SER 105 CO 0.28 0.12 0.76 -0.55 0.98 0.00 0.00 173.24 174.84 1wf8 s SER 106 N -1.42 6.94 0.00 7.02 0.15 -1.26 -5.26 113.70 119.87 1wf8 s SER 106 Ca 0.07 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1wf8 s SER 106 Cb -0.09 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1wf8 s SER 106 CO 0.03 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.96