#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn s SER 2 N 0.00 4.49 0.04 1.61 1.04 -1.26 -5.06 113.70 114.56 1wfn s SER 2 Ca 0.00 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.47 1wfn s SER 2 Cb 0.00 -0.82 -0.17 0.00 0.10 0.00 0.00 66.02 65.13 1wfn s SER 2 CO 0.00 0.01 1.35 -1.28 0.98 0.00 0.00 173.24 174.30 1wfn h SER 3 N 1.93 -0.79 -4.34 7.02 0.87 -2.15 -3.49 113.55 112.59 1wfn h SER 3 Ca -0.44 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1wfn h SER 3 Cb 1.25 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1wfn h SER 3 CO 0.60 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1wfn n GLY 4 N -1.01 -0.29 3.56 5.77 0.00 -1.26 -5.12 105.19 106.85 1wfn n GLY 4 Ca -0.13 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.58 1wfn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfn s SER 5 N -4.00 -0.31 0.07 1.61 0.15 -1.26 -5.17 113.70 104.80 1wfn s SER 5 Ca 0.00 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 1wfn s SER 5 Cb 0.00 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1wfn s SER 5 CO 0.00 -0.65 0.24 -0.55 1.20 0.00 0.00 173.24 173.48 1wfn s SER 6 N -2.57 6.39 -0.06 5.45 0.15 -1.26 -5.11 113.70 116.69 1wfn s SER 6 Ca 0.07 0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.81 1wfn s SER 6 Cb -0.01 -1.99 0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1wfn s SER 6 CO -0.06 0.15 0.55 -0.83 1.20 0.00 0.00 173.24 174.24 1wfn s GLY 7 N -2.48 -0.43 1.06 9.45 0.00 -1.26 -5.17 107.32 108.49 1wfn s GLY 7 Ca 0.36 1.04 -0.18 0.00 0.00 0.00 0.00 44.72 45.94 1wfn s GLY 7 CO 0.27 0.74 1.17 -1.55 0.00 0.00 0.00 173.10 173.73 1wfn n PRO 8 N 1.24 -2.14 -3.81 2.90 -0.04 -1.26 -5.10 135.00 126.79 1wfn n PRO 8 Ca -0.19 -1.83 -0.12 0.00 -0.04 0.00 0.00 63.50 61.32 1wfn n PRO 8 Cb 0.57 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1wfn n PRO 8 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1wfn s GLN 9 N -5.59 0.50 0.21 0.54 0.74 -1.26 -5.17 119.66 109.63 1wfn s GLN 9 Ca 0.70 -0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 1wfn s GLN 9 Cb -0.04 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 1wfn s GLN 9 CO 0.51 -0.12 0.18 -0.48 -0.55 0.00 0.00 175.29 174.84 1wfn s LEU 10 N -0.95 1.08 -0.21 3.68 0.05 -1.26 -5.17 118.68 115.89 1wfn s LEU 10 Ca -0.10 -1.35 -0.31 0.00 0.05 0.00 0.00 54.13 52.41 1wfn s LEU 10 Cb -0.05 0.56 0.15 0.00 -2.05 0.00 0.00 46.19 44.80 1wfn s LEU 10 CO 0.02 -0.89 1.20 0.54 -0.55 0.00 0.00 176.35 176.67 1wfn s VAL 11 N -4.10 0.00 0.06 1.48 0.11 -1.26 -5.13 120.40 111.56 1wfn s VAL 11 Ca 0.37 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1wfn s VAL 11 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1wfn s VAL 11 CO 0.12 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 170.75 1wfn n ARG 12 N 0.35 -2.00 -3.62 1.54 0.63 -1.26 -5.12 116.66 107.18 1wfn n ARG 12 Ca -0.03 1.74 -0.01 0.00 -0.92 0.00 0.00 57.85 58.64 1wfn n ARG 12 Cb 0.58 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 31.86 1wfn n ARG 12 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1wfn s THR 13 N -0.19 0.00 -0.30 5.15 -1.32 -1.26 -5.16 115.64 112.55 1wfn s THR 13 Ca 0.00 -0.17 -0.16 0.00 -1.21 0.00 0.00 61.69 60.15 1wfn s THR 13 Cb 0.00 -1.65 0.17 0.00 -1.51 0.00 0.00 72.50 69.52 1wfn s THR 13 CO 0.00 0.00 1.05 -2.28 -2.21 0.00 0.00 174.62 171.18 1wfn s HIS 14 N -2.50 -0.55 0.07 9.09 2.46 -1.26 -5.18 115.29 117.42 1wfn s HIS 14 Ca 0.12 0.94 0.02 0.00 0.47 0.00 0.00 55.06 56.61 1wfn s HIS 14 Cb 0.02 0.32 -0.03 0.00 -0.13 0.00 0.00 32.58 32.76 1wfn s HIS 14 CO -0.04 -0.28 -0.08 -1.21 -2.47 0.00 0.00 174.74 170.67 1wfn s GLU 15 N 2.40 0.69 -0.03 2.88 2.02 -1.26 -5.07 118.70 120.32 1wfn s GLU 15 Ca -0.02 -1.03 -0.20 0.00 0.02 0.00 0.00 54.97 53.75 1wfn s GLU 15 Cb -0.05 -0.31 -0.13 0.00 0.10 0.00 0.00 34.13 33.74 1wfn s GLU 15 CO -0.17 0.03 0.86 0.22 0.02 0.00 0.00 175.26 176.22 1wfn h ASP 16 N 3.81 -0.35 -1.84 -0.19 1.82 -2.00 -3.46 116.42 114.22 1wfn h ASP 16 Ca -0.36 -0.16 -0.52 0.00 -0.39 0.00 0.00 57.03 55.60 1wfn h ASP 16 Cb 1.19 0.09 0.24 0.00 0.68 0.00 0.00 39.33 41.53 1wfn h ASP 16 CO 0.51 0.11 -1.95 1.33 -1.61 0.00 0.00 179.24 177.63 1wfn n VAL 17 N -5.07 0.00 -1.50 2.25 0.24 -1.26 -4.66 118.33 108.33 1wfn n VAL 17 Ca -0.08 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.65 1wfn n VAL 17 Cb 0.25 -0.13 0.23 0.00 -1.47 0.00 0.00 33.84 32.72 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 1.58 -2.23 0.00 7.34 -0.04 -1.25 -4.84 135.00 135.56 1wfn n PRO 18 Ca -0.01 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1wfn n PRO 18 Cb 0.63 -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 -4.29 2.19 3.70 0.55 0.00 -1.25 -3.26 105.19 102.83 1wfn n GLY 19 Ca 0.16 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 4.01 4.39 0.34 1.61 0.04 -1.26 -4.30 135.00 139.83 1wfn s PRO 20 Ca 0.00 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1wfn s PRO 20 Cb 0.00 -3.49 0.08 0.00 0.04 0.00 0.00 34.50 31.13 1wfn s PRO 20 CO 0.00 -0.37 0.17 1.33 0.04 0.00 0.00 177.00 178.17 1wfn n VAL 21 N 4.36 0.00 0.00 -0.36 0.24 -1.26 -4.54 118.33 116.77 1wfn n VAL 21 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1wfn n VAL 21 Cb 0.46 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.88 -2.90 3.67 7.63 0.00 0.57 -4.74 105.19 108.53 1wfn n GLY 22 Ca 0.03 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.20 3.41 0.32 1.61 -3.43 -1.26 -4.58 115.29 111.16 1wfn s HIS 23 Ca 0.00 1.25 -0.29 0.00 -0.80 0.00 0.00 55.06 55.22 1wfn s HIS 23 Cb 0.00 -3.02 -0.12 0.00 -1.43 0.00 0.00 32.58 28.01 1wfn s HIS 23 CO 0.00 -0.26 1.44 1.28 -2.00 0.00 0.00 174.74 175.21 1wfn n LEU 24 N 5.30 4.02 -3.95 5.38 7.99 -1.26 -4.52 117.00 129.97 1wfn n LEU 24 Ca 0.05 1.19 -0.10 0.00 -0.01 0.00 0.00 56.01 57.14 1wfn n LEU 24 Cb 0.49 -1.54 -0.10 0.00 -0.11 0.00 0.00 43.42 42.15 1wfn n LEU 24 CO 0.48 -0.14 -0.28 -0.55 -1.51 0.00 0.00 177.39 175.39 1wfn s SER 25 N 0.05 0.18 0.00 -1.43 0.15 -0.41 -5.01 113.70 107.23 1wfn s SER 25 Ca 0.59 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1wfn s SER 25 Cb -0.54 0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1wfn s SER 25 CO 0.57 -0.38 -0.02 -0.36 1.20 0.00 0.00 173.24 174.25 1wfn s PHE 26 N -1.80 0.19 0.27 3.44 0.08 -1.26 -1.55 117.98 117.36 1wfn s PHE 26 Ca -0.12 -0.08 -0.05 0.00 0.12 0.00 0.00 56.93 56.80 1wfn s PHE 26 Cb -0.07 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1wfn s PHE 26 CO -0.01 -0.02 0.38 -1.12 -0.10 0.00 0.00 175.22 174.35 1wfn s SER 27 N -0.18 0.43 -1.50 1.36 0.01 -0.98 -4.92 113.70 107.92 1wfn s SER 27 Ca -0.01 -1.29 -0.01 0.00 1.31 0.00 0.00 55.95 55.96 1wfn s SER 27 Cb -0.02 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1wfn s SER 27 CO -0.00 -1.12 0.13 -0.62 0.41 0.00 0.00 173.24 172.04 1wfn n GLU 28 N -0.43 -1.58 -2.97 12.44 1.02 -1.26 -1.52 120.64 126.33 1wfn n GLU 28 Ca 0.01 0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 56.93 1wfn n GLU 28 Cb 0.63 -3.83 -0.05 0.00 -0.02 0.00 0.00 31.44 28.17 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 -4.25 4.62 0.00 -3.67 1.01 -1.26 -4.20 121.20 113.45 1wfn s ILE 29 Ca 0.01 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.33 1wfn s ILE 29 Cb -0.01 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1wfn s ILE 29 CO 0.97 0.40 0.00 0.18 0.00 0.00 0.00 174.94 176.49 1wfn n LEU 30 N 2.48 0.00 -0.07 2.97 7.99 0.16 -4.59 117.00 125.94 1wfn n LEU 30 Ca -0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.90 1wfn n LEU 30 Cb 0.50 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.71 1wfn n LEU 30 CO 0.47 0.00 -0.95 -0.90 -1.51 0.00 0.00 177.39 174.50 1wfn n ASP 31 N 0.00 1.89 -1.00 -1.43 5.75 -1.25 0.99 116.55 121.50 1wfn n ASP 31 Ca 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 54.79 54.76 1wfn n ASP 31 Cb 0.00 0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 40.72 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 -2.57 0.00 -3.70 2.12 -2.24 -1.26 -0.99 114.28 105.64 1wfn n THR 32 Ca -0.23 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1wfn n THR 32 Cb 0.91 0.59 -0.12 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.18 -0.30 -0.04 3.42 1.04 -1.26 -1.38 113.70 114.00 1wfn s SER 33 Ca 0.12 0.74 -0.20 0.00 0.48 0.00 0.00 55.95 57.09 1wfn s SER 33 Cb 0.14 0.70 0.04 0.00 0.10 0.00 0.00 66.02 66.99 1wfn s SER 33 CO -0.06 -0.19 0.43 -1.48 0.98 0.00 0.00 173.24 172.92 1wfn s LEU 34 N 1.60 0.37 -0.03 2.42 0.05 -0.73 0.36 118.68 122.72 1wfn s LEU 34 Ca -0.07 0.33 -0.14 0.00 0.05 0.00 0.00 54.13 54.29 1wfn s LEU 34 Cb -0.10 1.66 -0.05 0.00 -2.05 0.00 0.00 46.19 45.65 1wfn s LEU 34 CO -0.11 -0.47 0.38 -0.75 -0.55 0.00 0.00 176.35 174.85 1wfn s LYS 35 N -1.18 3.93 -0.11 1.48 2.36 -0.58 0.74 119.74 126.38 1wfn s LYS 35 Ca -0.12 0.34 0.01 0.00 -2.55 0.00 0.00 55.97 53.64 1wfn s LYS 35 Cb -0.04 -3.25 -0.02 0.00 -1.05 0.00 0.00 37.83 33.47 1wfn s LYS 35 CO 0.06 0.63 -0.12 0.08 1.55 0.00 0.00 175.35 177.54 1wfn s VAL 36 N -0.82 3.17 0.04 4.02 1.01 0.46 -2.32 120.40 125.95 1wfn s VAL 36 Ca 0.22 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1wfn s VAL 36 Cb -0.16 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1wfn s VAL 36 CO 0.11 0.54 -0.09 -0.94 0.00 0.00 0.00 175.10 174.73 1wfn s SER 37 N -0.00 1.05 0.34 3.32 1.04 -0.59 0.11 113.70 118.97 1wfn s SER 37 Ca -0.03 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.82 1wfn s SER 37 Cb -0.14 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1wfn s SER 37 CO 0.04 -0.13 0.55 -1.66 0.98 0.00 0.00 173.24 173.02 1wfn s TRP 38 N -1.17 0.74 0.43 5.02 -2.14 0.23 -1.29 118.94 120.76 1wfn s TRP 38 Ca -0.06 -1.09 0.01 0.00 2.66 0.00 0.00 56.10 57.62 1wfn s TRP 38 Cb -0.09 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.45 1wfn s TRP 38 CO 0.01 -1.22 0.05 1.04 -2.66 0.00 0.00 176.95 174.16 1wfn n GLN 39 N -0.53 0.79 -2.68 3.25 1.13 -1.26 -4.69 117.38 113.39 1wfn n GLN 39 Ca -0.02 -3.27 -0.40 0.00 -1.94 0.00 0.00 57.00 51.38 1wfn n GLN 39 Cb 0.61 1.19 -0.06 0.00 0.11 0.00 0.00 30.24 32.10 1wfn n GLN 39 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1wfn s GLU 40 N -3.57 4.76 0.49 -1.09 2.02 -1.26 -0.31 118.70 119.74 1wfn s GLU 40 Ca 0.07 1.56 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 1wfn s GLU 40 Cb 0.00 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 1wfn s GLU 40 CO 0.05 0.40 1.04 -1.25 0.02 0.00 0.00 175.26 175.52 1wfn s PRO 41 N -1.36 3.78 0.24 0.39 0.04 -1.26 -4.09 135.00 132.74 1wfn s PRO 41 Ca 0.43 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1wfn s PRO 41 Cb -0.27 -2.09 0.27 0.00 0.04 0.00 0.00 34.50 32.45 1wfn s PRO 41 CO 0.33 -0.44 1.60 0.78 0.04 0.00 0.00 177.00 179.31 1wfn h GLY 42 N 1.51 0.45 -4.13 0.56 0.00 -1.92 -3.13 103.07 96.41 1wfn h GLY 42 Ca -0.49 -0.47 -0.37 0.00 0.00 0.00 0.00 47.33 45.99 1wfn h GLY 42 CO 0.59 0.43 0.21 1.18 0.00 0.00 0.00 176.54 178.95 1wfn n GLU 43 N -3.99 2.13 -0.52 4.80 -0.58 -1.26 -4.64 120.64 116.57 1wfn n GLU 43 Ca -0.02 -1.78 0.43 0.00 -0.42 0.00 0.00 57.16 55.36 1wfn n GLU 43 Cb 0.54 -1.95 0.70 0.00 -0.57 0.00 0.00 31.44 30.16 1wfn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wfn n LYS 44 N 1.15 -0.03 -2.29 3.49 5.02 -1.19 -3.79 118.16 120.53 1wfn n LYS 44 Ca 0.41 1.18 -0.01 0.00 -2.02 0.00 0.00 58.31 57.87 1wfn n LYS 44 Cb 0.63 -2.42 -0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1wfn n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wfn n ASN 45 N -4.45 -1.08 0.00 4.39 3.02 -1.26 -4.32 115.26 111.56 1wfn n ASN 45 Ca 0.40 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 1wfn n ASN 45 Cb 1.65 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.45 0.85 3.12 7.41 0.00 -1.26 -4.85 105.19 110.00 1wfn n GLY 46 Ca -0.01 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.14 3.44 0.19 -0.61 1.09 -1.26 -5.07 121.20 115.84 1wfn s ILE 47 Ca 0.00 -2.29 -0.29 0.00 -1.10 0.00 0.00 60.65 56.97 1wfn s ILE 47 Cb 0.00 -3.32 -0.17 0.00 -1.06 0.00 0.00 42.46 37.91 1wfn s ILE 47 CO 0.00 -0.75 0.55 0.18 -0.10 0.00 0.00 174.94 174.83 1wfn n LEU 48 N 4.31 -1.17 -0.63 2.97 7.99 -1.26 -4.70 117.00 124.51 1wfn n LEU 48 Ca 0.00 1.13 0.08 0.00 -0.01 0.00 0.00 56.01 57.21 1wfn n LEU 48 Cb 0.40 -0.95 0.08 0.00 -0.11 0.00 0.00 43.42 42.84 1wfn n LEU 48 CO 0.34 -2.92 0.50 0.35 -1.51 0.00 0.00 177.39 174.15 1wfn n THR 49 N 0.09 0.09 0.00 -5.08 -2.24 0.84 -4.57 114.28 103.41 1wfn n THR 49 Ca 0.18 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1wfn n THR 49 Cb 0.24 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.85 -0.15 2.83 3.38 0.00 -1.10 -3.70 105.19 107.29 1wfn n GLY 50 Ca 0.09 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 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 0.31 -0.22 1.61 2.02 0.98 0.80 117.35 120.86 1wfn s TYR 51 Ca 0.00 -0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.57 1wfn s TYR 51 Cb 0.00 -0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 1wfn s TYR 51 CO 0.00 -0.12 0.24 0.50 -1.57 0.00 0.00 175.55 174.60 1wfn s ARG 52 N 0.94 4.14 0.08 -0.62 3.52 0.63 -1.36 118.95 126.27 1wfn s ARG 52 Ca -0.09 -0.09 0.10 0.00 -0.13 0.00 0.00 55.73 55.51 1wfn s ARG 52 Cb -0.13 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1wfn s ARG 52 CO -0.02 0.08 -0.26 -1.50 -0.81 0.00 0.00 175.30 172.79 1wfn s ILE 53 N 0.99 2.13 -0.21 4.11 2.07 -1.12 0.11 121.20 129.28 1wfn s ILE 53 Ca 0.12 -1.52 -0.07 0.00 -1.41 0.00 0.00 60.65 57.77 1wfn s ILE 53 Cb -0.13 -1.85 0.09 0.00 0.13 0.00 0.00 42.46 40.69 1wfn s ILE 53 CO 0.05 0.24 0.44 -0.94 -1.91 0.00 0.00 174.94 172.81 1wfn s SER 54 N -1.56 -0.34 -0.24 4.50 1.04 0.52 -1.71 113.70 115.91 1wfn s SER 54 Ca 0.12 1.04 -0.07 0.00 0.48 0.00 0.00 55.95 57.52 1wfn s SER 54 Cb -0.10 1.40 -0.03 0.00 0.10 0.00 0.00 66.02 67.39 1wfn s SER 54 CO 0.04 -0.23 0.06 -1.66 0.98 0.00 0.00 173.24 172.43 1wfn s TRP 55 N 2.58 3.08 -0.00 5.02 -2.14 -1.26 0.13 118.94 126.35 1wfn s TRP 55 Ca -0.02 -0.42 0.01 0.00 2.66 0.00 0.00 56.10 58.33 1wfn s TRP 55 Cb -0.12 -2.22 -0.00 0.00 -3.10 0.00 0.00 33.47 28.03 1wfn s TRP 55 CO -0.13 -0.34 -0.03 -1.83 -2.66 0.00 0.00 176.95 171.95 1wfn s GLU 56 N 1.54 0.25 0.99 3.25 -1.05 0.21 -3.21 118.70 120.68 1wfn s GLU 56 Ca 0.06 -0.13 -0.18 0.00 -0.15 0.00 0.00 54.97 54.57 1wfn s GLU 56 Cb -0.15 -0.23 0.02 0.00 -0.44 0.00 0.00 34.13 33.33 1wfn s GLU 56 CO 0.03 0.06 -0.37 0.39 0.95 0.00 0.00 175.26 176.33 1wfn n GLU 57 N 2.96 -1.17 0.06 -4.83 1.02 -1.20 0.12 120.64 117.60 1wfn n GLU 57 Ca -0.13 -0.34 -0.14 0.00 -0.02 0.00 0.00 57.16 56.53 1wfn n GLU 57 Cb 0.59 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.93 -1.36 -2.14 -0.32 3.20 -1.00 -3.30 116.97 110.13 1wfn h TYR 58 Ca -0.36 0.04 -0.56 0.00 3.14 0.00 0.00 58.73 60.99 1wfn h TYR 58 Cb 1.07 0.59 -0.41 0.00 1.54 0.00 0.00 36.73 39.52 1wfn h TYR 58 CO -1.06 -0.50 -0.86 -1.71 -1.64 0.00 0.00 178.16 172.38 1wfn n ASN 59 N -5.05 2.56 -3.54 -2.11 2.85 -1.26 -4.90 115.26 103.80 1wfn n ASN 59 Ca -0.07 -3.27 -0.03 0.00 -0.11 0.00 0.00 54.58 51.10 1wfn n ASN 59 Cb 0.35 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.69 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1wfn s ARG 60 N -2.53 0.47 -0.06 1.20 0.52 -1.24 -5.03 118.95 112.28 1wfn s ARG 60 Ca 0.42 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1wfn s ARG 60 Cb 0.24 0.52 -0.26 0.00 0.52 0.00 0.00 34.95 35.98 1wfn s ARG 60 CO -0.09 -0.33 0.58 1.15 0.02 0.00 0.00 175.30 176.63 1wfn h THR 61 N 6.07 0.82 -1.08 0.02 2.02 -1.95 -3.19 112.91 115.63 1wfn h THR 61 Ca -0.18 -2.57 0.30 0.00 0.77 0.00 0.00 66.41 64.73 1wfn h THR 61 Cb 1.12 2.54 -0.11 0.00 -1.74 0.00 0.00 68.15 69.96 1wfn h THR 61 CO 0.15 0.75 0.68 -1.13 0.37 0.00 0.00 175.52 176.34 1wfn h ASN 62 N 0.05 0.44 -0.47 4.18 -1.24 -2.00 1.09 115.58 117.64 1wfn h ASN 62 Ca -0.34 0.11 -0.29 0.00 0.71 0.00 0.00 56.30 56.49 1wfn h ASN 62 Cb 2.02 0.04 -0.14 0.00 0.73 0.00 0.00 38.32 40.98 1wfn h ASN 62 CO 0.10 0.03 0.37 0.35 -1.29 0.00 0.00 177.43 176.99 1wfn n THR 63 N -4.70 2.49 -4.11 -3.57 -2.24 -1.25 -4.88 114.28 96.01 1wfn n THR 63 Ca 0.28 -1.36 -0.36 0.00 -2.27 0.00 0.00 64.05 60.34 1wfn n THR 63 Cb 0.96 -1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.69 3.24 0.28 -0.78 3.00 0.38 -3.98 118.95 119.39 1wfn s ARG 64 Ca 0.29 -0.27 0.12 0.00 -1.00 0.00 0.00 55.73 54.87 1wfn s ARG 64 Cb 0.23 -3.01 -0.05 0.00 0.00 0.00 0.00 34.95 32.13 1wfn s ARG 64 CO 0.02 0.73 -0.18 0.54 0.00 0.00 0.00 175.30 176.40 1wfn s VAL 65 N -0.92 2.56 -0.33 7.11 0.11 -1.20 -4.98 120.40 122.76 1wfn s VAL 65 Ca 0.14 -2.37 -0.00 0.00 -2.93 0.00 0.00 61.98 56.82 1wfn s VAL 65 Cb -0.12 -2.35 0.10 0.00 -1.53 0.00 0.00 36.38 32.49 1wfn s VAL 65 CO 0.03 -0.40 0.11 -0.89 -3.33 0.00 0.00 175.10 170.63 1wfn s THR 66 N -2.49 0.97 0.20 5.04 2.01 -1.26 -4.10 115.64 116.01 1wfn s THR 66 Ca 0.30 -1.58 0.06 0.00 0.31 0.00 0.00 61.69 60.78 1wfn s THR 66 Cb -0.05 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1wfn s THR 66 CO 0.15 -0.71 0.18 -1.00 -0.69 0.00 0.00 174.62 172.55 1wfn s HIS 67 N 1.43 3.16 -0.09 4.92 3.76 -0.69 -5.01 115.29 122.76 1wfn s HIS 67 Ca 0.11 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1wfn s HIS 67 Cb -0.18 -1.48 0.02 0.00 1.11 0.00 0.00 32.58 32.06 1wfn s HIS 67 CO -0.21 0.52 -0.05 0.71 -0.85 0.00 0.00 174.74 174.86 1wfn s TYR 68 N -1.92 1.15 0.29 1.40 2.02 -1.26 -2.79 117.35 116.24 1wfn s TYR 68 Ca 0.32 -0.49 0.11 0.00 -0.37 0.00 0.00 57.07 56.64 1wfn s TYR 68 Cb -0.09 -1.03 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 1wfn s TYR 68 CO 0.24 -0.41 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.14 1wfn s LEU 69 N 1.65 2.62 1.05 -1.29 1.43 -0.47 -4.98 118.68 118.70 1wfn s LEU 69 Ca 0.02 -1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 51.88 1wfn s LEU 69 Cb -0.13 -1.03 0.23 0.00 0.03 0.00 0.00 46.19 45.29 1wfn s LEU 69 CO -0.06 -0.05 1.20 -2.16 0.23 0.00 0.00 176.35 175.52 1wfn s PRO 70 N -3.55 -0.06 -0.06 1.29 0.04 -1.26 -0.02 135.00 131.38 1wfn s PRO 70 Ca 0.30 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.23 1wfn s PRO 70 Cb -0.03 -1.74 0.23 0.00 0.04 0.00 0.00 34.50 33.01 1wfn s PRO 70 CO 0.15 -2.92 0.88 0.27 0.04 0.00 0.00 177.00 175.42 1wfn n ASN 71 N -4.18 2.26 -0.01 6.66 6.94 -1.24 -3.03 115.26 122.66 1wfn n ASN 71 Ca 0.13 -2.25 0.01 0.00 -0.02 0.00 0.00 54.58 52.46 1wfn n ASN 71 Cb 0.59 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 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 0.17 0.13 -3.98 3.53 0.24 -1.26 -4.89 118.33 112.28 1wfn n VAL 72 Ca 0.08 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.34 61.85 1wfn n VAL 72 Cb 0.49 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.36 5.21 -0.00 3.34 2.01 -1.17 -4.97 115.64 117.70 1wfn s THR 73 Ca -0.03 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1wfn s THR 73 Cb 0.03 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1wfn s THR 73 CO 0.26 0.44 0.64 0.18 -0.69 0.00 0.00 174.62 175.45 1wfn n LEU 74 N 1.39 0.40 -3.92 4.42 4.77 -1.26 -4.74 117.00 118.06 1wfn n LEU 74 Ca -0.15 -0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 1wfn n LEU 74 Cb 0.53 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 74 CO 0.38 0.12 -0.25 -1.83 -1.33 0.00 0.00 177.39 174.47 1wfn s GLU 75 N -0.23 0.41 0.02 3.23 1.03 -1.26 0.75 118.70 122.66 1wfn s GLU 75 Ca 0.01 -0.51 -0.25 0.00 0.03 0.00 0.00 54.97 54.26 1wfn s GLU 75 Cb 0.00 0.16 0.06 0.00 -0.80 0.00 0.00 34.13 33.56 1wfn s GLU 75 CO 0.00 -0.09 0.56 -0.47 -1.33 0.00 0.00 175.26 173.93 1wfn s TYR 76 N -1.47 -0.49 -0.19 4.83 6.14 0.31 -4.97 117.35 121.51 1wfn s TYR 76 Ca -0.15 0.64 -0.14 0.00 0.64 0.00 0.00 57.07 58.06 1wfn s TYR 76 Cb -0.08 0.37 -0.04 0.00 0.42 0.00 0.00 41.96 42.62 1wfn s TYR 76 CO 0.00 -0.64 0.33 0.50 0.64 0.00 0.00 175.55 176.39 1wfn s ARG 77 N -2.11 4.18 0.06 4.97 3.52 -1.26 0.17 118.95 128.49 1wfn s ARG 77 Ca -0.07 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1wfn s ARG 77 Cb -0.01 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1wfn s ARG 77 CO 0.01 0.06 0.23 0.08 -0.81 0.00 0.00 175.30 174.87 1wfn s VAL 78 N 1.02 5.36 -0.08 7.11 1.01 0.23 -4.95 120.40 130.09 1wfn s VAL 78 Ca 0.17 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1wfn s VAL 78 Cb -0.14 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1wfn s VAL 78 CO 0.06 0.16 0.59 0.42 0.00 0.00 0.00 175.10 176.33 1wfn s THR 79 N -1.50 0.01 0.00 3.92 -4.23 -1.26 -1.77 115.64 110.81 1wfn s THR 79 Ca 0.35 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1wfn s THR 79 Cb -0.13 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1wfn s THR 79 CO 0.26 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1wfn n GLY 80 N 1.37 1.13 0.00 3.99 0.00 -0.48 -5.01 105.19 106.19 1wfn n GLY 80 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.95 0.99 4.77 -1.07 -5.08 117.00 112.66 1wfn n LEU 81 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1wfn n LEU 81 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1wfn n LEU 81 CO 0.00 0.00 -0.28 -0.89 -1.33 0.00 0.00 177.39 174.89 1wfn s THR 82 N 0.58 0.11 0.20 -5.08 2.01 -1.24 -4.81 115.64 107.41 1wfn s THR 82 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1wfn s THR 82 Cb 0.00 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1wfn s THR 82 CO 0.00 -0.52 1.07 0.00 -0.69 0.00 0.00 174.62 174.48 1wfn s ALA 83 N -1.81 3.37 -1.31 7.40 0.00 -0.16 -3.52 121.76 125.73 1wfn s ALA 83 Ca -0.12 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 1wfn s ALA 83 Cb -0.07 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1wfn s ALA 83 CO -0.01 -0.14 0.55 1.28 0.00 0.00 0.00 175.76 177.44 1wfn n LEU 84 N 2.04 -2.35 -4.09 0.00 4.77 -1.26 -4.97 117.00 111.13 1wfn n LEU 84 Ca 0.01 -1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 54.82 1wfn n LEU 84 Cb 0.46 -2.26 -0.12 0.00 -2.33 0.00 0.00 43.42 39.17 1wfn n LEU 84 CO 0.53 0.46 -0.42 -0.89 -1.33 0.00 0.00 177.39 175.74 1wfn s THR 85 N -3.78 0.75 -0.17 -5.08 2.01 -1.23 -4.92 115.64 103.22 1wfn s THR 85 Ca 0.17 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 1wfn s THR 85 Cb -0.06 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1wfn s THR 85 CO 0.88 -0.27 0.62 -0.89 -0.69 0.00 0.00 174.62 174.27 1wfn s THR 86 N -1.22 5.05 0.10 -0.82 2.01 -1.26 0.22 115.64 119.72 1wfn s THR 86 Ca -0.06 1.20 0.06 0.00 0.31 0.00 0.00 61.69 63.20 1wfn s THR 86 Cb -0.09 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1wfn s THR 86 CO 0.01 0.16 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.63 1wfn s TYR 87 N 1.57 1.46 -0.20 4.92 1.51 0.42 -0.35 117.35 126.68 1wfn s TYR 87 Ca 0.30 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1wfn s TYR 87 Cb -0.16 -0.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1wfn s TYR 87 CO 0.11 0.14 -0.12 0.99 -1.11 0.00 0.00 175.55 175.57 1wfn s THR 88 N -1.59 1.72 -0.28 -0.71 2.01 0.33 0.21 115.64 117.34 1wfn s THR 88 Ca 0.05 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 1wfn s THR 88 Cb -0.08 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1wfn s THR 88 CO 0.03 0.22 0.36 -0.63 -0.69 0.00 0.00 174.62 173.91 1wfn s ILE 89 N 1.37 5.18 -0.32 1.82 -1.09 -0.74 -0.62 121.20 126.80 1wfn s ILE 89 Ca -0.01 0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 1wfn s ILE 89 Cb -0.16 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1wfn s ILE 89 CO -0.09 0.14 0.18 -1.61 -1.23 0.00 0.00 174.94 172.33 1wfn s GLU 90 N 2.05 3.42 -0.22 2.79 2.02 0.34 -1.56 118.70 127.54 1wfn s GLU 90 Ca 0.14 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 1wfn s GLU 90 Cb -0.16 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1wfn s GLU 90 CO 0.10 -0.41 -0.01 0.08 0.02 0.00 0.00 175.26 175.04 1wfn s VAL 91 N 1.65 3.68 0.27 2.63 1.01 0.13 -0.35 120.40 129.42 1wfn s VAL 91 Ca 0.05 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1wfn s VAL 91 Cb -0.17 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1wfn s VAL 91 CO 0.08 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.45 1wfn s ALA 92 N 1.38 2.48 0.39 5.51 0.00 0.30 0.15 121.76 131.97 1wfn s ALA 92 Ca 0.05 -1.86 0.08 0.00 0.00 0.00 0.00 51.96 50.22 1wfn s ALA 92 Cb -0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wfn s ALA 92 CO -0.01 0.11 0.46 0.00 0.00 0.00 0.00 175.76 176.32 1wfn s ALA 93 N -2.77 4.25 -0.03 0.00 0.00 -1.23 -0.27 121.76 121.72 1wfn s ALA 93 Ca 0.28 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1wfn s ALA 93 Cb -0.01 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1wfn s ALA 93 CO 0.12 -0.17 0.02 -1.64 0.00 0.00 0.00 175.76 174.08 1wfn s MET 94 N -4.21 0.17 0.00 0.00 -1.94 0.24 -2.12 119.30 111.44 1wfn s MET 94 Ca 0.49 0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.61 1wfn s MET 94 Cb -0.08 -0.42 0.00 0.00 2.01 0.00 0.00 34.83 36.34 1wfn s MET 94 CO 0.30 -0.17 0.00 0.25 -0.01 0.00 0.00 175.02 175.40 1wfn n THR 95 N 4.27 0.00 0.28 2.05 -2.24 0.18 0.29 114.28 119.12 1wfn n THR 95 Ca -0.25 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1wfn n THR 95 Cb 0.50 0.00 0.78 0.00 -2.10 0.00 0.00 70.33 69.51 1wfn n THR 95 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wfn h SER 96 N 0.00 0.00 0.00 3.42 4.64 -1.93 -2.98 113.55 116.69 1wfn h SER 96 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1wfn h SER 96 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1wfn h SER 96 CO 0.00 0.07 -0.51 0.11 -0.87 0.00 0.00 176.83 175.63 1wfn h LYS 97 N 0.00 0.00 0.00 4.77 1.79 -1.97 -3.51 116.57 117.65 1wfn h LYS 97 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wfn h LYS 97 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1wfn h LYS 97 CO 0.01 0.82 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 1wfn n GLY 98 N 1.56 -0.58 3.84 3.86 0.00 -1.13 -5.07 105.19 107.67 1wfn n GLY 98 Ca -0.17 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.22 3.91 -0.11 1.61 0.74 -1.26 0.50 119.66 123.84 1wfn s GLN 99 Ca 0.00 0.40 0.03 0.00 0.05 0.00 0.00 55.36 55.84 1wfn s GLN 99 Cb 0.00 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.93 1wfn s GLN 99 CO 0.00 0.67 -0.21 0.20 -0.55 0.00 0.00 175.29 175.40 1wfn s GLY 100 N -1.17 1.23 0.00 2.59 0.00 -0.90 -4.84 107.32 104.24 1wfn s GLY 100 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1wfn s GLY 100 CO 0.14 -0.12 0.00 -0.18 0.00 0.00 0.00 173.10 172.94 1wfn n GLN 101 N 3.80 0.00 -3.64 2.90 7.27 -1.20 -3.51 117.38 122.99 1wfn n GLN 101 Ca -0.20 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.84 1wfn n GLN 101 Cb 0.52 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.12 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 0.00 0.00 -0.40 1.69 0.11 -1.26 -4.49 120.40 116.05 1wfn s VAL 102 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1wfn s VAL 102 Cb 0.00 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.94 1wfn s VAL 102 CO 0.00 0.00 0.20 -0.44 -3.33 0.00 0.00 175.10 171.53 1wfn s SER 103 N -0.61 5.40 -0.27 3.54 0.01 0.39 -4.80 113.70 117.36 1wfn s SER 103 Ca 0.07 -1.66 -0.09 0.00 1.31 0.00 0.00 55.95 55.59 1wfn s SER 103 Cb -0.02 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1wfn s SER 103 CO -0.09 -0.50 0.11 0.00 0.41 0.00 0.00 173.24 173.17 1wfn s ALA 104 N 1.30 3.27 -0.09 1.44 0.00 -1.25 0.23 121.76 126.66 1wfn s ALA 104 Ca 0.04 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1wfn s ALA 104 Cb -0.23 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1wfn s ALA 104 CO -0.01 -0.58 -0.21 -1.12 0.00 0.00 0.00 175.76 173.84 1wfn s SER 105 N 1.65 2.76 0.18 0.00 0.01 -0.60 -4.92 113.70 112.78 1wfn s SER 105 Ca 0.06 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 1wfn s SER 105 Cb -0.16 -1.19 -0.08 0.00 0.21 0.00 0.00 66.02 64.81 1wfn s SER 105 CO 0.06 0.14 1.04 -0.89 0.41 0.00 0.00 173.24 174.00 1wfn s THR 106 N 0.34 4.02 -0.11 1.44 2.01 -1.26 -1.80 115.64 120.29 1wfn s THR 106 Ca -0.16 1.79 -0.07 0.00 0.31 0.00 0.00 61.69 63.57 1wfn s THR 106 Cb -0.17 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.24 1wfn s THR 106 CO 0.07 0.33 0.27 -0.51 -0.69 0.00 0.00 174.62 174.09 1wfn s ILE 107 N -0.41 -0.03 -0.30 1.82 1.10 0.56 -4.96 121.20 118.98 1wfn s ILE 107 Ca 0.47 0.10 -0.11 0.00 -0.51 0.00 0.00 60.65 60.60 1wfn s ILE 107 Cb -0.28 -0.41 -0.03 0.00 0.15 0.00 0.00 42.46 41.90 1wfn s ILE 107 CO 0.34 0.04 0.18 -0.55 -2.11 0.00 0.00 174.94 172.84 1wfn s SER 108 N 0.98 5.84 0.44 4.50 0.15 -1.26 0.16 113.70 124.51 1wfn s SER 108 Ca -0.07 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 1wfn s SER 108 Cb -0.08 -2.08 -0.13 0.00 -1.71 0.00 0.00 66.02 62.02 1wfn s SER 108 CO -0.07 -0.13 -0.10 -1.54 1.20 0.00 0.00 173.24 172.61 1wfn n SER 109 N 5.04 -3.24 0.00 5.45 3.41 0.13 -4.84 113.62 119.57 1wfn n SER 109 Ca -0.14 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1wfn n SER 109 Cb 0.51 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 2.23 -1.62 3.64 5.00 0.00 0.28 -4.18 105.19 110.54 1wfn n GLY 110 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 1.61 0.11 0.58 -4.35 120.40 118.32 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 -0.19 4.37 0.49 1.54 0.04 -1.26 -3.91 135.00 136.07 1wfn s PRO 112 Ca 0.05 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.08 1wfn s PRO 112 Cb -0.04 -3.51 0.85 0.00 0.04 0.00 0.00 34.50 31.84 1wfn s PRO 112 CO -0.10 -0.40 1.79 -1.00 0.04 0.00 0.00 177.00 177.33 1wfn h PRO 113 N 7.33 0.00 -4.73 0.56 0.13 -1.96 -3.39 132.00 129.94 1wfn h PRO 113 Ca -0.36 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.05 1wfn h PRO 113 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1wfn h PRO 113 CO 0.86 0.02 0.69 -1.12 -0.23 0.00 0.00 178.00 178.23 1wfn s SER 114 N -5.97 6.69 0.00 1.44 0.01 -1.26 -4.89 113.70 109.72 1wfn s SER 114 Ca 0.04 -2.25 0.00 0.00 1.31 0.00 0.00 55.95 55.05 1wfn s SER 114 Cb 0.07 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1wfn s SER 114 CO 0.61 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wfn n GLY 115 N 5.06 0.64 3.81 3.44 0.00 -1.26 -5.12 105.19 111.75 1wfn n GLY 115 Ca 0.22 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1wfn n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 116 N -1.77 2.15 0.28 1.61 0.04 -1.26 -5.08 135.00 130.98 1wfn s PRO 116 Ca 0.00 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 1wfn s PRO 116 Cb 0.00 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1wfn s PRO 116 CO 0.00 -1.58 0.54 0.45 0.04 0.00 0.00 177.00 176.45 1wfn s SER 117 N -3.89 0.09 0.60 6.66 0.15 -1.26 -4.97 113.70 111.07 1wfn s SER 117 Ca 0.61 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wfn s SER 117 Cb -0.14 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1wfn s SER 117 CO 0.54 -1.26 0.00 -1.20 1.20 0.00 0.00 173.24 172.53 1wfn n SER 118 N -0.70 -7.77 0.00 5.45 7.64 -1.26 -5.28 113.62 111.71 1wfn n SER 118 Ca -0.02 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1wfn n SER 118 Cb 0.61 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64