#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn n SER 2 N 0.00 -1.63 -3.33 1.61 2.88 -1.26 -4.99 113.62 106.90 1wfn n SER 2 Ca 0.00 1.29 -0.25 0.00 -1.33 0.00 0.00 58.87 58.58 1wfn n SER 2 Cb 0.00 -4.62 -0.09 0.00 -0.75 0.00 0.00 64.21 58.75 1wfn n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfn s SER 3 N -0.55 1.12 0.00 -3.46 1.04 -1.26 -5.07 113.70 105.52 1wfn s SER 3 Ca -0.24 -2.93 0.00 0.00 0.48 0.00 0.00 55.95 53.26 1wfn s SER 3 Cb 0.02 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1wfn s SER 3 CO 0.65 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.32 1wfn n GLY 4 N 2.86 4.55 3.15 7.32 0.00 -1.26 -5.14 105.19 116.67 1wfn n GLY 4 Ca 0.29 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.59 1wfn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfn s SER 5 N 0.00 -1.44 0.80 1.61 0.01 -1.26 -5.07 113.70 108.35 1wfn s SER 5 Ca 0.00 0.27 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 1wfn s SER 5 Cb 0.00 1.96 0.08 0.00 0.21 0.00 0.00 66.02 68.27 1wfn s SER 5 CO 0.00 -0.26 1.16 -0.94 0.41 0.00 0.00 173.24 173.60 1wfn s SER 6 N 2.85 4.49 0.00 2.44 1.04 -1.26 -4.84 113.70 118.42 1wfn s SER 6 Ca 0.13 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1wfn s SER 6 Cb -0.10 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1wfn s SER 6 CO -0.25 -1.89 0.00 0.61 0.98 0.00 0.00 173.24 172.69 1wfn n GLY 7 N -3.27 -2.16 0.17 7.32 0.00 -1.26 -5.04 105.19 100.95 1wfn n GLY 7 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1wfn n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfn h PRO 8 N 0.00 -0.31 -1.53 1.61 0.13 -2.09 -3.49 132.00 126.32 1wfn h PRO 8 Ca 0.00 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1wfn h PRO 8 Cb 0.00 0.07 -0.25 0.00 0.13 0.00 0.00 31.00 30.95 1wfn h PRO 8 CO 0.00 -0.17 0.53 -1.14 -0.23 0.00 0.00 178.00 177.00 1wfn s GLN 9 N -2.69 0.50 -0.69 0.86 0.74 -1.26 -5.09 119.66 112.03 1wfn s GLN 9 Ca -0.06 0.36 0.05 0.00 0.05 0.00 0.00 55.36 55.77 1wfn s GLN 9 Cb 0.00 0.24 0.23 0.00 1.10 0.00 0.00 33.01 34.58 1wfn s GLN 9 CO 0.18 -0.11 0.72 -0.11 -0.55 0.00 0.00 175.29 175.42 1wfn n LEU 10 N 1.53 3.72 -4.45 3.68 7.94 -1.26 -5.08 117.00 123.08 1wfn n LEU 10 Ca -0.11 -5.37 -0.35 0.00 -1.11 0.00 0.00 56.01 49.06 1wfn n LEU 10 Cb 0.57 -0.73 0.08 0.00 0.53 0.00 0.00 43.42 43.87 1wfn n LEU 10 CO 0.08 1.95 0.02 0.55 -1.11 0.00 0.00 177.39 178.88 1wfn n VAL 11 N 1.18 1.38 0.05 1.96 3.14 -1.26 -4.84 118.33 119.95 1wfn n VAL 11 Ca 0.27 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1wfn n VAL 11 Cb 0.39 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 1wfn n VAL 11 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1wfn n ARG 12 N -0.91 0.00 -4.65 1.45 0.63 -1.26 -5.16 116.66 106.76 1wfn n ARG 12 Ca 0.09 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.73 1wfn n ARG 12 Cb 0.51 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.33 1wfn n ARG 12 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wfn s THR 13 N -2.00 1.22 -0.19 5.15 -4.23 -1.26 -5.13 115.64 109.19 1wfn s THR 13 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1wfn s THR 13 Cb 0.00 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1wfn s THR 13 CO 0.00 0.00 0.01 -1.38 -0.54 0.00 0.00 174.62 172.71 1wfn s HIS 14 N -2.95 3.08 -0.03 3.99 -3.43 -1.26 -5.10 115.29 109.59 1wfn s HIS 14 Ca 0.18 -0.33 0.07 0.00 -0.80 0.00 0.00 55.06 54.19 1wfn s HIS 14 Cb 0.04 -2.08 -0.02 0.00 -1.43 0.00 0.00 32.58 29.10 1wfn s HIS 14 CO 0.10 -0.15 -0.26 -1.21 -2.00 0.00 0.00 174.74 171.22 1wfn s GLU 15 N 0.84 2.23 0.01 -0.38 8.01 -1.26 -5.04 118.70 123.12 1wfn s GLU 15 Ca 0.01 -0.92 -0.26 0.00 0.01 0.00 0.00 54.97 53.81 1wfn s GLU 15 Cb -0.14 -2.07 -0.16 0.00 -4.31 0.00 0.00 34.13 27.44 1wfn s GLU 15 CO 0.02 0.51 1.21 0.22 0.01 0.00 0.00 175.26 177.23 1wfn h ASP 16 N 5.65 -0.49 -1.88 -0.19 1.82 -1.98 -3.45 116.42 115.90 1wfn h ASP 16 Ca -0.40 -0.11 -0.51 0.00 -0.39 0.00 0.00 57.03 55.62 1wfn h ASP 16 Cb 1.14 0.13 0.24 0.00 0.68 0.00 0.00 39.33 41.51 1wfn h ASP 16 CO 0.47 -0.13 -1.90 1.33 -1.61 0.00 0.00 179.24 177.40 1wfn n VAL 17 N -5.22 0.00 -1.49 2.25 0.24 -1.26 -4.71 118.33 108.14 1wfn n VAL 17 Ca -0.10 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.64 1wfn n VAL 17 Cb 0.29 -0.17 0.23 0.00 -1.47 0.00 0.00 33.84 32.73 1wfn n VAL 17 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wfn n PRO 18 N 1.32 -2.24 0.00 7.34 -0.04 -1.26 -4.83 135.00 135.29 1wfn n PRO 18 Ca -0.00 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1wfn n PRO 18 Cb 0.64 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1wfn n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfn n GLY 19 N -4.30 2.68 3.73 0.55 0.00 -1.22 -1.89 105.19 104.74 1wfn n GLY 19 Ca 0.16 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1wfn n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 20 N 3.46 4.56 0.85 1.61 0.04 -1.26 -3.87 135.00 140.38 1wfn s PRO 20 Ca 0.00 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1wfn s PRO 20 Cb 0.00 -3.28 0.20 0.00 0.04 0.00 0.00 34.50 31.46 1wfn s PRO 20 CO 0.00 0.01 0.46 1.33 0.04 0.00 0.00 177.00 178.84 1wfn n VAL 21 N 2.57 0.00 0.00 -0.36 0.24 -1.26 -4.50 118.33 115.02 1wfn n VAL 21 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1wfn n VAL 21 Cb 0.46 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 1wfn n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfn n GLY 22 N -2.66 -2.79 3.64 7.63 0.00 -0.07 -4.70 105.19 106.23 1wfn n GLY 22 Ca 0.07 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1wfn n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfn s HIS 23 N -0.74 -1.04 0.40 1.61 -3.43 -1.26 -4.84 115.29 106.00 1wfn s HIS 23 Ca 0.00 2.12 -0.27 0.00 -0.80 0.00 0.00 55.06 56.11 1wfn s HIS 23 Cb 0.00 0.60 -0.10 0.00 -1.43 0.00 0.00 32.58 31.66 1wfn s HIS 23 CO 0.00 -0.52 1.46 -0.51 -2.00 0.00 0.00 174.74 173.17 1wfn s LEU 24 N 1.52 4.24 -0.01 5.38 2.01 -1.26 -4.03 118.68 126.54 1wfn s LEU 24 Ca -0.09 2.99 -0.04 0.00 0.01 0.00 0.00 54.13 56.99 1wfn s LEU 24 Cb -0.05 -3.77 -0.00 0.00 0.01 0.00 0.00 46.19 42.38 1wfn s LEU 24 CO -0.18 -0.98 0.09 -0.55 1.01 0.00 0.00 176.35 175.74 1wfn s SER 25 N -0.30 0.02 -0.04 2.29 0.15 0.13 -4.94 113.70 111.01 1wfn s SER 25 Ca 0.56 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1wfn s SER 25 Cb -0.45 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1wfn s SER 25 CO 0.60 -0.24 -0.02 -0.36 1.20 0.00 0.00 173.24 174.42 1wfn s PHE 26 N -0.90 0.58 0.22 3.44 0.08 -1.26 -0.45 117.98 119.70 1wfn s PHE 26 Ca -0.10 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1wfn s PHE 26 Cb -0.06 -0.61 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 1wfn s PHE 26 CO 0.01 -0.20 0.14 -1.12 -0.10 0.00 0.00 175.22 173.94 1wfn s SER 27 N 1.19 0.49 -1.26 1.36 0.01 -0.11 -4.90 113.70 110.48 1wfn s SER 27 Ca -0.07 -1.42 -0.22 0.00 1.31 0.00 0.00 55.95 55.54 1wfn s SER 27 Cb -0.14 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.48 1wfn s SER 27 CO -0.02 -0.84 0.42 -0.62 0.41 0.00 0.00 173.24 172.59 1wfn n GLU 28 N -0.34 -0.48 -3.03 12.44 1.02 -1.26 -0.75 120.64 128.23 1wfn n GLU 28 Ca 0.02 0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.81 1wfn n GLU 28 Cb 0.66 -2.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.39 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wfn s ILE 29 N -3.85 4.67 0.00 -3.67 1.01 -1.26 -3.80 121.20 114.29 1wfn s ILE 29 Ca 0.31 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1wfn s ILE 29 Cb -0.17 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1wfn s ILE 29 CO 0.93 0.42 0.00 0.18 0.00 0.00 0.00 174.94 176.47 1wfn n LEU 30 N 2.44 0.00 -0.05 2.97 7.99 0.30 -4.57 117.00 126.09 1wfn n LEU 30 Ca -0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.90 1wfn n LEU 30 Cb 0.50 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.75 1wfn n LEU 30 CO 0.46 0.00 -0.81 -0.90 -1.51 0.00 0.00 177.39 174.63 1wfn n ASP 31 N 0.00 2.97 -1.19 -1.43 5.75 -1.25 0.22 116.55 121.62 1wfn n ASP 31 Ca 0.00 -0.02 0.03 0.00 -0.01 0.00 0.00 54.79 54.79 1wfn n ASP 31 Cb 0.00 0.41 0.02 0.00 -1.03 0.00 0.00 41.12 40.52 1wfn n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wfn n THR 32 N -2.49 0.10 -3.61 2.12 -2.24 -1.26 -1.69 114.28 105.20 1wfn n THR 32 Ca -0.16 -0.83 -0.13 0.00 -2.27 0.00 0.00 64.05 60.66 1wfn n THR 32 Cb 0.76 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 1wfn n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfn s SER 33 N -1.79 -0.65 0.04 3.42 1.04 -1.25 0.17 113.70 114.68 1wfn s SER 33 Ca 0.25 1.15 -0.19 0.00 0.48 0.00 0.00 55.95 57.65 1wfn s SER 33 Cb 0.29 1.14 0.04 0.00 0.10 0.00 0.00 66.02 67.58 1wfn s SER 33 CO -0.12 -0.28 0.43 -1.48 0.98 0.00 0.00 173.24 172.77 1wfn s LEU 34 N 0.05 0.34 -0.23 2.42 0.05 -0.75 0.11 118.68 120.66 1wfn s LEU 34 Ca -0.01 0.02 -0.17 0.00 0.05 0.00 0.00 54.13 54.02 1wfn s LEU 34 Cb -0.04 1.79 -0.03 0.00 -2.05 0.00 0.00 46.19 45.86 1wfn s LEU 34 CO 0.01 -0.67 0.46 -0.75 -0.55 0.00 0.00 176.35 174.85 1wfn s LYS 35 N -2.47 4.11 -0.08 1.48 2.20 0.07 0.36 119.74 125.42 1wfn s LYS 35 Ca -0.05 0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.75 1wfn s LYS 35 Cb -0.01 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1wfn s LYS 35 CO -0.02 -0.21 0.18 0.08 -0.36 0.00 0.00 175.35 175.02 1wfn s VAL 36 N 1.86 5.44 0.06 4.02 1.01 0.60 -0.93 120.40 132.45 1wfn s VAL 36 Ca 0.20 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1wfn s VAL 36 Cb -0.15 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1wfn s VAL 36 CO 0.09 0.54 0.07 -0.55 0.00 0.00 0.00 175.10 175.24 1wfn s SER 37 N -1.27 0.31 0.19 3.32 0.15 0.41 0.12 113.70 116.93 1wfn s SER 37 Ca 0.19 -0.79 -0.13 0.00 0.70 0.00 0.00 55.95 55.92 1wfn s SER 37 Cb -0.13 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.48 1wfn s SER 37 CO 0.09 -0.62 0.66 -2.67 1.20 0.00 0.00 173.24 171.89 1wfn n TRP 38 N 0.19 -1.49 -4.61 3.44 2.14 0.13 0.18 117.44 117.43 1wfn n TRP 38 Ca -0.15 -1.08 -0.29 0.00 2.07 0.00 0.00 57.50 58.05 1wfn n TRP 38 Cb 0.61 0.53 -0.07 0.00 -0.81 0.00 0.00 31.31 31.57 1wfn n TRP 38 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfn s GLN 39 N -2.05 2.07 0.11 -2.67 -0.21 -1.26 -4.76 119.66 110.90 1wfn s GLN 39 Ca 0.14 -2.31 -0.30 0.00 0.02 0.00 0.00 55.36 52.92 1wfn s GLN 39 Cb -0.03 -0.85 -0.06 0.00 1.00 0.00 0.00 33.01 33.08 1wfn s GLN 39 CO 0.06 -0.51 0.95 -1.21 -2.12 0.00 0.00 175.29 172.46 1wfn s GLU 40 N -3.72 4.69 0.51 2.91 2.02 -1.26 -0.89 118.70 122.95 1wfn s GLU 40 Ca 0.15 1.43 -0.19 0.00 0.02 0.00 0.00 54.97 56.38 1wfn s GLU 40 Cb 0.01 -3.37 -0.08 0.00 0.10 0.00 0.00 34.13 30.79 1wfn s GLU 40 CO 0.11 0.22 1.04 -1.25 0.02 0.00 0.00 175.26 175.40 1wfn s PRO 41 N -0.02 3.72 0.24 0.39 0.04 -1.26 -3.95 135.00 134.16 1wfn s PRO 41 Ca 0.46 1.32 0.25 0.00 0.04 0.00 0.00 61.00 63.08 1wfn s PRO 41 Cb -0.23 -2.08 0.70 0.00 0.04 0.00 0.00 34.50 32.93 1wfn s PRO 41 CO 0.29 -0.49 1.72 0.78 0.04 0.00 0.00 177.00 179.34 1wfn h GLY 42 N 1.34 0.00 -3.97 0.56 0.00 -1.91 -3.22 103.07 95.88 1wfn h GLY 42 Ca -0.49 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.22 1wfn h GLY 42 CO 0.59 0.00 0.80 1.18 0.00 0.00 0.00 176.54 179.11 1wfn n GLU 43 N -2.39 2.53 -0.49 4.80 -0.58 -1.26 -4.67 120.64 118.58 1wfn n GLU 43 Ca 0.05 -3.13 0.41 0.00 -0.42 0.00 0.00 57.16 54.08 1wfn n GLU 43 Cb 0.45 -2.23 0.69 0.00 -0.57 0.00 0.00 31.44 29.78 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wfn h LYS 44 N 1.71 0.00 -7.06 3.49 1.57 -1.94 -3.22 116.57 111.12 1wfn h LYS 44 Ca 0.60 -0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.76 1wfn h LYS 44 Cb 1.33 -0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.47 1wfn h LYS 44 CO 1.43 0.00 -0.98 0.09 -0.57 0.00 0.00 179.45 179.42 1wfn n ASN 45 N -4.69 -0.09 0.00 0.86 3.02 -1.26 -4.33 115.26 108.76 1wfn n ASN 45 Ca 0.41 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1wfn n ASN 45 Cb 1.61 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1wfn n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfn n GLY 46 N -2.49 0.54 3.36 7.41 0.00 -1.26 -4.74 105.19 108.02 1wfn n GLY 46 Ca -0.28 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.28 1wfn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfn s ILE 47 N -0.90 4.23 0.22 -0.61 -1.09 -1.26 -5.06 121.20 116.73 1wfn s ILE 47 Ca 0.00 -0.73 -0.32 0.00 -2.23 0.00 0.00 60.65 57.37 1wfn s ILE 47 Cb 0.00 -3.25 -0.13 0.00 -1.58 0.00 0.00 42.46 37.50 1wfn s ILE 47 CO 0.00 -0.04 1.54 0.18 -1.23 0.00 0.00 174.94 175.39 1wfn n LEU 48 N 4.92 3.44 -0.01 2.97 4.77 -1.26 -3.56 117.00 128.27 1wfn n LEU 48 Ca -0.13 1.11 0.10 0.00 -0.03 0.00 0.00 56.01 57.06 1wfn n LEU 48 Cb 0.47 -1.48 -0.15 0.00 -2.33 0.00 0.00 43.42 39.93 1wfn n LEU 48 CO 0.33 -0.22 -0.58 0.35 -1.33 0.00 0.00 177.39 175.94 1wfn n THR 49 N 2.70 0.00 0.00 -5.08 -2.24 0.54 -4.64 114.28 105.56 1wfn n THR 49 Ca 0.13 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1wfn n THR 49 Cb 0.32 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1wfn n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfn n GLY 50 N 1.34 -0.50 3.24 3.38 0.00 -0.86 -3.58 105.19 108.21 1wfn n GLY 50 Ca -0.02 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 1wfn n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wfn s TYR 51 N -2.00 1.69 -0.20 1.61 2.02 0.14 0.20 117.35 120.81 1wfn s TYR 51 Ca 0.00 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1wfn s TYR 51 Cb 0.00 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.56 1wfn s TYR 51 CO 0.00 0.12 -0.02 0.50 -1.57 0.00 0.00 175.55 174.57 1wfn s ARG 52 N -1.41 3.55 -0.01 -0.62 3.52 0.14 0.38 118.95 124.51 1wfn s ARG 52 Ca 0.06 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.14 1wfn s ARG 52 Cb -0.09 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1wfn s ARG 52 CO 0.02 -0.01 -0.11 -1.50 -0.81 0.00 0.00 175.30 172.90 1wfn s ILE 53 N 1.02 3.30 -0.23 4.11 2.07 -1.10 0.81 121.20 131.18 1wfn s ILE 53 Ca 0.01 -0.84 -0.04 0.00 -1.41 0.00 0.00 60.65 58.37 1wfn s ILE 53 Cb -0.14 -2.39 0.12 0.00 0.13 0.00 0.00 42.46 40.18 1wfn s ILE 53 CO 0.01 0.44 0.40 -0.94 -1.91 0.00 0.00 174.94 172.94 1wfn s SER 54 N -1.21 0.01 -0.28 4.50 1.04 0.84 -2.10 113.70 116.50 1wfn s SER 54 Ca 0.15 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 57.00 1wfn s SER 54 Cb -0.11 1.23 -0.03 0.00 0.10 0.00 0.00 66.02 67.21 1wfn s SER 54 CO 0.05 -0.27 0.15 -1.66 0.98 0.00 0.00 173.24 172.48 1wfn s TRP 55 N 2.58 3.17 -0.02 5.02 -2.14 -1.26 0.93 118.94 127.23 1wfn s TRP 55 Ca 0.08 -0.23 0.02 0.00 2.66 0.00 0.00 56.10 58.63 1wfn s TRP 55 Cb -0.14 -2.33 0.00 0.00 -3.10 0.00 0.00 33.47 27.90 1wfn s TRP 55 CO -0.15 -0.30 -0.06 -1.83 -2.66 0.00 0.00 176.95 171.95 1wfn s GLU 56 N 1.68 0.62 1.02 3.25 -1.05 -0.83 -3.45 118.70 119.94 1wfn s GLU 56 Ca 0.06 -0.19 -0.23 0.00 -0.15 0.00 0.00 54.97 54.46 1wfn s GLU 56 Cb -0.16 -0.61 -0.11 0.00 -0.44 0.00 0.00 34.13 32.81 1wfn s GLU 56 CO 0.07 0.07 -0.97 0.39 0.95 0.00 0.00 175.26 175.78 1wfn n GLU 57 N 3.26 -0.38 -0.22 -4.83 1.02 -1.21 0.20 120.64 118.48 1wfn n GLU 57 Ca -0.17 -0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 56.76 1wfn n GLU 57 Cb 0.55 -1.21 -0.08 0.00 -0.02 0.00 0.00 31.44 30.68 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1wfn h TYR 58 N -1.28 -1.50 -1.11 -0.32 3.20 -0.91 -3.24 116.97 111.81 1wfn h TYR 58 Ca -0.43 0.09 -0.40 0.00 3.14 0.00 0.00 58.73 61.13 1wfn h TYR 58 Cb 1.37 0.73 -0.40 0.00 1.54 0.00 0.00 36.73 39.96 1wfn h TYR 58 CO 0.09 -0.36 -1.13 0.27 -1.64 0.00 0.00 178.16 175.38 1wfn n ASN 59 N -4.90 1.87 -3.63 -2.11 6.94 -1.26 -4.87 115.26 107.30 1wfn n ASN 59 Ca -0.01 -2.86 -0.29 0.00 -0.02 0.00 0.00 54.58 51.40 1wfn n ASN 59 Cb 0.25 -0.52 -0.15 0.00 -2.36 0.00 0.00 39.78 37.00 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfn s ARG 60 N -3.15 0.38 0.09 -3.83 0.52 -1.22 -4.97 118.95 106.77 1wfn s ARG 60 Ca 0.30 -0.60 0.25 0.00 -0.52 0.00 0.00 55.73 55.16 1wfn s ARG 60 Cb 0.45 -1.60 0.98 0.00 0.52 0.00 0.00 34.95 35.30 1wfn s ARG 60 CO 0.00 -0.91 1.78 2.41 0.02 0.00 0.00 175.30 178.60 1wfn n THR 61 N 5.12 0.43 0.34 0.02 -1.04 -1.26 -2.67 114.28 115.21 1wfn n THR 61 Ca -0.05 -0.02 0.14 0.00 -2.04 0.00 0.00 64.05 62.08 1wfn n THR 61 Cb 0.44 -0.68 0.60 0.00 -1.82 0.00 0.00 70.33 68.87 1wfn n THR 61 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1wfn h ASN 62 N 0.00 0.00 -1.15 8.00 2.35 -1.98 -2.66 115.58 120.14 1wfn h ASN 62 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1wfn h ASN 62 Cb 0.51 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.48 1wfn h ASN 62 CO 0.00 0.00 -0.46 0.35 -1.65 0.00 0.00 177.43 175.67 1wfn n THR 63 N -2.57 2.68 -4.03 2.81 -2.24 -1.09 -5.03 114.28 104.81 1wfn n THR 63 Ca 0.01 -4.34 -0.31 0.00 -2.27 0.00 0.00 64.05 57.13 1wfn n THR 63 Cb 0.23 -1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 67.21 1wfn n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfn s ARG 64 N -3.64 3.06 0.05 -0.78 3.00 -1.00 -3.76 118.95 115.88 1wfn s ARG 64 Ca 0.52 -0.57 0.02 0.00 -1.00 0.00 0.00 55.73 54.70 1wfn s ARG 64 Cb 0.42 -2.84 -0.03 0.00 0.00 0.00 0.00 34.95 32.50 1wfn s ARG 64 CO -0.08 0.60 -0.07 0.54 0.00 0.00 0.00 175.30 176.29 1wfn s VAL 65 N -1.35 0.56 -0.23 7.11 0.11 -1.22 -5.00 120.40 120.38 1wfn s VAL 65 Ca 0.28 -1.26 -0.00 0.00 -2.93 0.00 0.00 61.98 58.07 1wfn s VAL 65 Cb -0.12 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1wfn s VAL 65 CO 0.21 -0.49 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.58 1wfn s THR 66 N -1.86 1.22 0.31 5.04 2.01 -1.26 -4.06 115.64 117.04 1wfn s THR 66 Ca -0.05 -1.07 0.08 0.00 0.31 0.00 0.00 61.69 60.95 1wfn s THR 66 Cb -0.07 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 1wfn s THR 66 CO -0.01 -0.18 -0.07 -1.00 -0.69 0.00 0.00 174.62 172.67 1wfn s HIS 67 N 1.53 2.16 0.01 4.92 3.76 -0.89 -5.04 115.29 121.74 1wfn s HIS 67 Ca -0.03 -0.62 0.04 0.00 -0.15 0.00 0.00 55.06 54.30 1wfn s HIS 67 Cb -0.18 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 1wfn s HIS 67 CO -0.08 0.41 -0.11 0.71 -0.85 0.00 0.00 174.74 174.82 1wfn s TYR 68 N -2.84 1.00 0.13 1.40 2.02 -1.26 -2.71 117.35 115.08 1wfn s TYR 68 Ca 0.31 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1wfn s TYR 68 Cb 0.03 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1wfn s TYR 68 CO 0.14 -0.00 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.51 1wfn s LEU 69 N -0.69 2.51 1.08 -1.29 1.43 0.16 -4.96 118.68 116.91 1wfn s LEU 69 Ca 0.02 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 1wfn s LEU 69 Cb -0.06 -0.30 0.24 0.00 0.03 0.00 0.00 46.19 46.11 1wfn s LEU 69 CO 0.00 -0.34 1.22 -2.16 0.23 0.00 0.00 176.35 175.30 1wfn s PRO 70 N -3.62 -0.29 -0.11 1.29 0.04 -1.26 0.26 135.00 131.30 1wfn s PRO 70 Ca 0.14 -0.25 0.05 0.00 0.04 0.00 0.00 61.00 60.99 1wfn s PRO 70 Cb 0.02 -1.72 0.34 0.00 0.04 0.00 0.00 34.50 33.18 1wfn s PRO 70 CO -0.00 -3.06 1.09 0.27 0.04 0.00 0.00 177.00 175.33 1wfn n ASN 71 N -4.26 3.07 -0.01 6.66 6.94 -1.24 -3.26 115.26 123.17 1wfn n ASN 71 Ca 0.14 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.27 1wfn n ASN 71 Cb 0.59 -0.59 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wfn n VAL 72 N 0.20 0.07 -3.94 3.53 0.24 -1.26 -4.95 118.33 112.21 1wfn n VAL 72 Ca 0.14 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.34 61.99 1wfn n VAL 72 Cb 0.71 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.94 1wfn n VAL 72 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wfn s THR 73 N -2.15 5.35 0.00 3.34 2.01 -1.20 -4.96 115.64 118.03 1wfn s THR 73 Ca -0.01 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1wfn s THR 73 Cb 0.01 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1wfn s THR 73 CO 0.12 0.58 0.59 0.18 -0.69 0.00 0.00 174.62 175.40 1wfn n LEU 74 N 1.88 0.71 -3.96 4.42 4.77 -1.26 -4.73 117.00 118.84 1wfn n LEU 74 Ca -0.19 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 54.99 1wfn n LEU 74 Cb 0.55 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 1wfn n LEU 74 CO 0.32 0.18 -0.33 -1.83 -1.33 0.00 0.00 177.39 174.40 1wfn s GLU 75 N -0.31 0.31 -0.07 3.23 1.03 -1.25 0.21 118.70 121.85 1wfn s GLU 75 Ca 0.00 -0.53 -0.26 0.00 0.03 0.00 0.00 54.97 54.20 1wfn s GLU 75 Cb 0.00 0.12 0.06 0.00 -0.80 0.00 0.00 34.13 33.50 1wfn s GLU 75 CO 0.00 -0.06 0.60 -0.47 -1.33 0.00 0.00 175.26 174.00 1wfn s TYR 76 N -1.34 -0.57 -0.13 4.83 6.14 0.32 -4.94 117.35 121.66 1wfn s TYR 76 Ca -0.15 1.05 -0.12 0.00 0.64 0.00 0.00 57.07 58.49 1wfn s TYR 76 Cb -0.09 0.32 -0.05 0.00 0.42 0.00 0.00 41.96 42.56 1wfn s TYR 76 CO -0.01 -0.52 0.26 0.50 0.64 0.00 0.00 175.55 176.43 1wfn s ARG 77 N -0.97 4.01 0.04 4.97 3.00 -1.26 0.22 118.95 128.95 1wfn s ARG 77 Ca -0.10 0.07 0.01 0.00 -1.00 0.00 0.00 55.73 54.71 1wfn s ARG 77 Cb -0.02 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.56 1wfn s ARG 77 CO 0.07 0.45 0.11 0.54 0.00 0.00 0.00 175.30 176.47 1wfn s VAL 78 N -0.15 4.80 -0.05 7.11 0.11 0.16 -4.93 120.40 127.44 1wfn s VAL 78 Ca 0.16 -0.52 -0.08 0.00 -2.93 0.00 0.00 61.98 58.61 1wfn s VAL 78 Cb -0.13 -3.26 0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1wfn s VAL 78 CO 0.05 0.23 0.21 0.42 -3.33 0.00 0.00 175.10 172.68 1wfn s THR 79 N -1.32 0.03 0.00 5.04 -4.23 -1.25 -1.81 115.64 112.09 1wfn s THR 79 Ca 0.27 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1wfn s THR 79 Cb -0.12 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.34 1wfn s THR 79 CO 0.19 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1wfn n GLY 80 N 2.33 0.71 0.79 3.99 0.00 0.13 -4.96 105.19 108.18 1wfn n GLY 80 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1wfn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfn n LEU 81 N 0.00 0.00 -4.42 0.99 4.77 0.56 -4.98 117.00 113.91 1wfn n LEU 81 Ca 0.00 -0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 1wfn n LEU 81 Cb 0.00 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 1wfn n LEU 81 CO 0.00 -1.66 -0.50 -0.89 -1.33 0.00 0.00 177.39 173.01 1wfn s THR 82 N -1.04 2.70 0.35 -5.08 2.01 -1.25 -4.50 115.64 108.83 1wfn s THR 82 Ca 0.12 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 1wfn s THR 82 Cb -0.02 -2.05 -0.11 0.00 0.01 0.00 0.00 72.50 70.34 1wfn s THR 82 CO 0.10 0.53 1.43 0.00 -0.69 0.00 0.00 174.62 175.99 1wfn s ALA 83 N -0.74 3.56 -1.16 7.40 0.00 -0.68 -2.96 121.76 127.17 1wfn s ALA 83 Ca 0.12 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 1wfn s ALA 83 Cb -0.10 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1wfn s ALA 83 CO 0.01 -0.89 0.68 1.28 0.00 0.00 0.00 175.76 176.83 1wfn n LEU 84 N 0.74 -0.49 -4.02 0.00 4.77 -1.26 -4.95 117.00 111.80 1wfn n LEU 84 Ca 0.01 -1.26 -0.11 0.00 -0.03 0.00 0.00 56.01 54.63 1wfn n LEU 84 Cb 0.40 -1.63 -0.11 0.00 -2.33 0.00 0.00 43.42 39.75 1wfn n LEU 84 CO 0.62 0.76 -0.38 -0.89 -1.33 0.00 0.00 177.39 176.17 1wfn s THR 85 N -3.45 0.33 -0.09 -5.08 2.01 -1.16 -4.93 115.64 103.27 1wfn s THR 85 Ca 0.43 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 1wfn s THR 85 Cb -0.24 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1wfn s THR 85 CO 0.96 -0.46 0.57 -0.89 -0.69 0.00 0.00 174.62 174.11 1wfn s THR 86 N -1.51 5.12 0.08 -0.82 2.01 -1.26 0.38 115.64 119.64 1wfn s THR 86 Ca -0.12 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1wfn s THR 86 Cb -0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1wfn s THR 86 CO -0.01 0.30 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.87 1wfn s TYR 87 N 0.65 0.72 -0.23 4.92 2.02 0.50 -0.23 117.35 125.69 1wfn s TYR 87 Ca 0.31 -0.98 -0.00 0.00 -0.37 0.00 0.00 57.07 56.02 1wfn s TYR 87 Cb -0.16 -0.46 0.06 0.00 -0.40 0.00 0.00 41.96 41.00 1wfn s TYR 87 CO 0.14 -0.25 -0.02 0.99 -1.57 0.00 0.00 175.55 174.83 1wfn s THR 88 N -3.74 1.25 -0.24 -0.71 2.01 0.13 0.14 115.64 114.48 1wfn s THR 88 Ca 0.09 -1.10 -0.23 0.00 0.31 0.00 0.00 61.69 60.76 1wfn s THR 88 Cb 0.06 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1wfn s THR 88 CO -0.07 -0.18 0.75 -0.63 -0.69 0.00 0.00 174.62 173.80 1wfn s ILE 89 N 1.51 4.90 -0.28 1.82 -1.09 -0.77 -1.97 121.20 125.32 1wfn s ILE 89 Ca -0.03 1.41 -0.09 0.00 -2.23 0.00 0.00 60.65 59.71 1wfn s ILE 89 Cb -0.18 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1wfn s ILE 89 CO -0.08 -0.02 0.13 -1.61 -1.23 0.00 0.00 174.94 172.13 1wfn s GLU 90 N 2.63 3.64 -0.27 2.79 8.01 0.27 -1.62 118.70 134.14 1wfn s GLU 90 Ca 0.32 -0.51 -0.02 0.00 0.01 0.00 0.00 54.97 54.77 1wfn s GLU 90 Cb -0.15 -3.51 0.03 0.00 -4.31 0.00 0.00 34.13 26.19 1wfn s GLU 90 CO 0.08 -0.26 -0.03 0.08 0.01 0.00 0.00 175.26 175.15 1wfn s VAL 91 N 1.66 3.03 0.30 2.63 1.01 -0.27 -0.11 120.40 128.65 1wfn s VAL 91 Ca 0.06 -1.11 0.09 0.00 0.00 0.00 0.00 61.98 61.02 1wfn s VAL 91 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1wfn s VAL 91 CO 0.07 0.08 0.03 0.00 0.00 0.00 0.00 175.10 175.28 1wfn s ALA 92 N 1.32 3.25 0.07 5.51 0.00 0.24 -0.49 121.76 131.66 1wfn s ALA 92 Ca -0.01 -1.76 0.04 0.00 0.00 0.00 0.00 51.96 50.23 1wfn s ALA 92 Cb -0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1wfn s ALA 92 CO -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 175.76 175.89 1wfn s ALA 93 N -2.39 3.24 -0.03 0.00 0.00 -1.24 0.29 121.76 121.64 1wfn s ALA 93 Ca 0.34 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1wfn s ALA 93 Cb -0.04 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1wfn s ALA 93 CO 0.20 0.68 -0.18 -1.64 0.00 0.00 0.00 175.76 174.82 1wfn s MET 94 N -2.08 1.67 0.00 0.00 -1.94 0.53 -0.60 119.30 116.88 1wfn s MET 94 Ca 0.23 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1wfn s MET 94 Cb -0.12 -1.53 0.00 0.00 2.01 0.00 0.00 34.83 35.20 1wfn s MET 94 CO 0.15 0.33 0.00 0.25 -0.01 0.00 0.00 175.02 175.75 1wfn n THR 95 N 2.85 0.00 1.72 2.05 -2.24 0.24 0.20 114.28 119.10 1wfn n THR 95 Ca -0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1wfn n THR 95 Cb 0.53 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.46 1wfn n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wfn n SER 96 N -0.55 0.00 -0.07 3.42 3.41 -1.23 -3.11 113.62 115.49 1wfn n SER 96 Ca 0.00 -0.98 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 1wfn n SER 96 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1wfn n SER 96 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1wfn n LYS 97 N -0.93 0.32 -2.41 4.33 -0.00 -1.26 -5.13 118.16 113.08 1wfn n LYS 97 Ca 0.18 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 1wfn n LYS 97 Cb 0.08 -1.21 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 1wfn n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfn n GLY 98 N 2.75 -0.51 3.88 2.58 0.00 -1.18 -5.05 105.19 107.65 1wfn n GLY 98 Ca -0.24 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1wfn n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wfn s GLN 99 N -1.71 3.62 0.00 1.61 0.74 -1.26 0.80 119.66 123.46 1wfn s GLN 99 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1wfn s GLN 99 Cb 0.00 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1wfn s GLN 99 CO 0.00 0.64 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 1wfn n GLY 100 N 1.15 3.46 3.08 2.59 0.00 0.23 -4.80 105.19 110.91 1wfn n GLY 100 Ca -0.11 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 1wfn n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wfn n GLN 101 N 0.00 -1.40 -3.85 1.61 7.27 -0.79 -4.58 117.38 115.64 1wfn n GLN 101 Ca 0.00 -0.41 -0.12 0.00 0.07 0.00 0.00 57.00 56.54 1wfn n GLN 101 Cb 0.00 -1.41 -0.12 0.00 2.41 0.00 0.00 30.24 31.12 1wfn n GLN 101 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wfn s VAL 102 N -2.10 0.02 -0.46 1.69 0.11 -1.26 -3.61 120.40 114.79 1wfn s VAL 102 Ca 0.40 -0.15 -0.09 0.00 -2.93 0.00 0.00 61.98 59.20 1wfn s VAL 102 Cb -0.04 -0.20 0.11 0.00 -1.53 0.00 0.00 36.38 34.72 1wfn s VAL 102 CO 0.48 -0.08 0.32 -0.44 -3.33 0.00 0.00 175.10 172.05 1wfn s SER 103 N -0.23 5.70 -0.29 3.54 0.01 0.36 -4.87 113.70 117.92 1wfn s SER 103 Ca -0.03 -1.77 -0.11 0.00 1.31 0.00 0.00 55.95 55.35 1wfn s SER 103 Cb -0.02 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1wfn s SER 103 CO 0.00 -0.65 0.20 0.00 0.41 0.00 0.00 173.24 173.20 1wfn s ALA 104 N 1.39 3.51 -0.10 1.44 0.00 -1.26 -1.11 121.76 125.63 1wfn s ALA 104 Ca 0.05 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1wfn s ALA 104 Cb -0.25 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 1wfn s ALA 104 CO 0.00 -0.64 -0.23 -1.12 0.00 0.00 0.00 175.76 173.77 1wfn s SER 105 N 1.75 3.16 0.07 0.00 0.01 -0.64 -4.92 113.70 113.13 1wfn s SER 105 Ca 0.07 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1wfn s SER 105 Cb -0.16 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.59 1wfn s SER 105 CO 0.11 0.16 1.09 -0.89 0.41 0.00 0.00 173.24 174.11 1wfn s THR 106 N 0.35 4.29 -0.12 1.44 2.01 -1.26 -1.85 115.64 120.51 1wfn s THR 106 Ca -0.18 1.73 -0.06 0.00 0.31 0.00 0.00 61.69 63.49 1wfn s THR 106 Cb -0.18 -4.11 0.05 0.00 0.01 0.00 0.00 72.50 68.27 1wfn s THR 106 CO 0.09 0.18 0.27 -0.51 -0.69 0.00 0.00 174.62 173.96 1wfn s ILE 107 N 0.66 -0.04 -0.27 1.82 1.10 0.36 -4.63 121.20 120.20 1wfn s ILE 107 Ca 0.53 0.14 -0.15 0.00 -0.51 0.00 0.00 60.65 60.66 1wfn s ILE 107 Cb -0.26 -0.42 -0.04 0.00 0.15 0.00 0.00 42.46 41.89 1wfn s ILE 107 CO 0.30 0.06 0.37 -0.55 -2.11 0.00 0.00 174.94 173.01 1wfn s SER 108 N 1.27 6.26 0.54 4.50 0.15 -1.26 -0.37 113.70 124.79 1wfn s SER 108 Ca -0.09 0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.71 1wfn s SER 108 Cb -0.10 -2.21 -0.13 0.00 -1.71 0.00 0.00 66.02 61.87 1wfn s SER 108 CO -0.09 -0.18 -0.27 -1.54 1.20 0.00 0.00 173.24 172.37 1wfn n SER 109 N 5.28 -3.63 0.00 5.45 3.41 0.16 -4.75 113.62 119.54 1wfn n SER 109 Ca -0.08 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1wfn n SER 109 Cb 0.51 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1wfn n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 110 N 2.33 -0.82 3.64 5.00 0.00 0.61 -4.37 105.19 111.58 1wfn n GLY 110 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1wfn n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfn s VAL 111 N 0.00 0.00 -0.02 1.61 0.11 0.13 -4.41 120.40 117.81 1wfn s VAL 111 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1wfn s VAL 111 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1wfn s VAL 111 CO 0.00 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 170.82 1wfn s PRO 112 N -0.17 4.37 0.04 1.54 0.04 -1.26 -3.80 135.00 135.76 1wfn s PRO 112 Ca 0.06 1.71 0.22 0.00 0.04 0.00 0.00 61.00 63.04 1wfn s PRO 112 Cb -0.04 -3.51 0.93 0.00 0.04 0.00 0.00 34.50 31.91 1wfn s PRO 112 CO -0.12 -0.41 1.71 -0.35 0.04 0.00 0.00 177.00 177.87 1wfn n PRO 113 N 4.91 0.04 0.00 0.56 -0.04 -1.26 -3.88 135.00 135.33 1wfn n PRO 113 Ca 0.11 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1wfn n PRO 113 Cb 0.46 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1wfn n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfn n SER 114 N -1.63 0.00 -4.03 3.54 7.64 -1.26 -4.57 113.62 113.31 1wfn n SER 114 Ca 0.05 0.90 -0.31 0.00 1.01 0.00 0.00 58.87 60.51 1wfn n SER 114 Cb 0.27 -0.40 -0.15 0.00 -1.01 0.00 0.00 64.21 62.92 1wfn n SER 114 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfn s GLY 115 N -0.79 1.66 0.93 0.23 0.00 -1.25 -5.12 107.32 102.98 1wfn s GLY 115 Ca 0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 44.72 42.70 1wfn s GLY 115 CO 0.00 0.76 1.15 2.56 0.00 0.00 0.00 173.10 177.57 1wfn s PRO 116 N 1.11 0.95 -0.20 2.90 0.04 -1.26 -4.85 135.00 133.68 1wfn s PRO 116 Ca -0.03 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 1wfn s PRO 116 Cb -0.20 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1wfn s PRO 116 CO -0.06 -2.31 0.47 0.45 0.04 0.00 0.00 177.00 175.59 1wfn s SER 117 N -4.09 -0.59 0.17 6.66 0.15 -1.26 -5.16 113.70 109.58 1wfn s SER 117 Ca 0.65 1.05 -0.23 0.00 0.70 0.00 0.00 55.95 58.12 1wfn s SER 117 Cb -0.14 1.00 0.07 0.00 -1.71 0.00 0.00 66.02 65.24 1wfn s SER 117 CO 0.53 -0.21 0.62 -0.55 1.20 0.00 0.00 173.24 174.84 1wfn s SER 118 N 1.63 -0.53 0.00 5.45 0.15 -1.26 -5.23 113.70 113.92 1wfn s SER 118 Ca -0.09 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1wfn s SER 118 Cb -0.08 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1wfn s SER 118 CO -0.14 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 173.91