#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 5.76 -0.15 1.61 0.01 -1.26 -5.00 113.70 114.67 1wfn s SER 2 Ca 0.00 -3.74 -0.30 0.00 1.31 0.00 0.00 55.95 53.22 1wfn s SER 2 Cb 0.00 -1.86 0.13 0.00 0.21 0.00 0.00 66.02 64.50 1wfn s SER 2 CO 0.00 -0.17 1.00 -0.94 0.41 0.00 0.00 173.24 173.55 1wfn s SER 3 N -0.38 -0.36 -0.97 2.44 1.04 -1.26 -5.10 113.70 109.12 1wfn s SER 3 Ca 0.27 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 1wfn s SER 3 Cb -0.07 0.30 0.24 0.00 0.10 0.00 0.00 66.02 66.59 1wfn s SER 3 CO -0.13 -0.35 0.90 0.61 0.98 0.00 0.00 173.24 175.25 1wfn n GLY 4 N 0.64 4.17 3.71 7.32 0.00 -1.26 -5.04 105.19 114.72 1wfn n GLY 4 Ca -0.10 -2.60 -0.42 0.00 0.00 0.00 0.00 46.02 42.91 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 0.25 7.30 -0.02 1.61 0.01 -1.26 -4.97 113.70 116.62 1wfn s SER 5 Ca 0.29 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 58.94 1wfn s SER 5 Cb -0.08 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 1wfn s SER 5 CO -0.11 -0.28 0.79 0.77 0.41 0.00 0.00 173.24 174.83 1wfn h SER 6 N 6.86 -0.55 0.00 2.44 4.64 -2.04 -3.49 113.55 121.40 1wfn h SER 6 Ca -0.39 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1wfn h SER 6 Cb 1.20 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1wfn h SER 6 CO 0.77 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1wfn n GLY 7 N 0.01 3.30 3.78 -0.77 0.00 -1.26 -5.15 105.19 105.10 1wfn n GLY 7 Ca -0.08 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1wfn n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 8 N -2.21 0.88 0.52 1.61 0.04 -1.26 -5.05 135.00 129.53 1wfn s PRO 8 Ca 0.00 0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.12 1wfn s PRO 8 Cb 0.00 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1wfn s PRO 8 CO 0.00 -2.35 0.91 -0.65 0.04 0.00 0.00 177.00 174.95 1wfn s GLN 9 N -5.35 3.71 -0.44 4.56 -0.21 -1.26 -4.98 119.66 115.69 1wfn s GLN 9 Ca 0.65 0.63 -0.28 0.00 0.02 0.00 0.00 55.36 56.38 1wfn s GLN 9 Cb -0.13 -2.22 -0.00 0.00 1.00 0.00 0.00 33.01 31.66 1wfn s GLN 9 CO 0.53 -0.31 1.58 -1.17 -2.12 0.00 0.00 175.29 173.81 1wfn s LEU 10 N -4.53 3.49 -0.26 2.90 0.20 -1.26 -4.90 118.68 114.32 1wfn s LEU 10 Ca 0.54 0.80 -0.27 0.00 0.69 0.00 0.00 54.13 55.89 1wfn s LEU 10 Cb -0.10 -3.32 0.16 0.00 -0.43 0.00 0.00 46.19 42.49 1wfn s LEU 10 CO 0.42 -1.68 1.22 0.54 -0.29 0.00 0.00 176.35 176.56 1wfn s VAL 11 N 6.40 0.00 0.30 1.68 0.11 -1.26 -5.09 120.40 122.54 1wfn s VAL 11 Ca 0.66 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1wfn s VAL 11 Cb -0.16 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1wfn s VAL 11 CO 0.30 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 170.93 1wfn n ARG 12 N 1.34 0.00 -0.57 1.54 0.63 -1.26 -5.16 116.66 113.18 1wfn n ARG 12 Ca -0.09 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 56.92 1wfn n ARG 12 Cb 0.57 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.46 1wfn n ARG 12 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1wfn n THR 13 N -3.40 0.00 -2.75 5.15 5.66 -1.26 -4.81 114.28 112.88 1wfn n THR 13 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1wfn n THR 13 Cb 0.00 -0.20 0.02 0.00 -1.55 0.00 0.00 70.33 68.61 1wfn n THR 13 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1wfn s HIS 14 N -1.29 3.15 0.00 1.09 2.46 -1.26 -5.10 115.29 114.34 1wfn s HIS 14 Ca 0.00 0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1wfn s HIS 14 Cb 0.00 -2.53 0.00 0.00 -0.13 0.00 0.00 32.58 29.92 1wfn s HIS 14 CO 0.00 -0.61 0.00 0.39 -2.47 0.00 0.00 174.74 172.05 1wfn n GLU 15 N -2.28 0.00 -0.05 2.88 1.02 -1.26 -5.07 120.64 115.87 1wfn n GLU 15 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 1wfn n GLU 15 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.96 1wfn n GLU 15 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfn n ASP 16 N 0.00 0.85 -4.11 1.62 2.03 -1.26 -5.04 116.55 110.63 1wfn n ASP 16 Ca 0.00 0.12 -0.36 0.00 0.52 0.00 0.00 54.79 55.07 1wfn n ASP 16 Cb 0.00 -0.30 0.07 0.00 -0.72 0.00 0.00 41.12 40.17 1wfn n ASP 16 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wfn n VAL 17 N -3.44 0.00 -1.51 5.18 0.24 -1.26 -4.77 118.33 112.76 1wfn n VAL 17 Ca -0.21 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 1wfn n VAL 17 Cb 0.65 -0.20 0.22 0.00 -1.47 0.00 0.00 33.84 33.04 1wfn n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfn s PRO 18 N -2.49 -0.36 0.00 7.34 0.04 -1.26 -4.87 135.00 133.39 1wfn s PRO 18 Ca 0.44 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1wfn s PRO 18 Cb -0.08 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1wfn s PRO 18 CO 0.72 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 175.07 1wfn n GLY 19 N -2.40 1.79 3.71 0.56 0.00 -1.23 -1.95 105.19 105.67 1wfn n GLY 19 Ca 0.15 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 3.27 4.43 0.29 1.61 0.04 -1.26 -3.74 135.00 139.64 1wfn s PRO 20 Ca 0.00 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1wfn s PRO 20 Cb 0.00 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 31.21 1wfn s PRO 20 CO 0.00 -0.27 0.15 1.33 0.04 0.00 0.00 177.00 178.25 1wfn n VAL 21 N 4.06 0.00 0.00 -0.36 0.24 -1.26 -4.43 118.33 116.57 1wfn n VAL 21 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1wfn n VAL 21 Cb 0.47 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.82 -2.95 3.67 7.63 0.00 0.15 -4.70 105.19 108.17 1wfn n GLY 22 Ca 0.02 -0.99 -0.40 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 0.00 3.39 0.32 1.61 -3.43 -1.26 -4.60 115.29 111.32 1wfn s HIS 23 Ca 0.00 0.92 -0.28 0.00 -0.80 0.00 0.00 55.06 54.90 1wfn s HIS 23 Cb 0.00 -2.77 -0.13 0.00 -1.43 0.00 0.00 32.58 28.25 1wfn s HIS 23 CO 0.00 -0.13 1.27 1.28 -2.00 0.00 0.00 174.74 175.15 1wfn n LEU 24 N 4.88 3.24 -3.90 5.38 7.99 -1.26 -4.46 117.00 128.87 1wfn n LEU 24 Ca -0.02 1.19 -0.11 0.00 -0.01 0.00 0.00 56.01 57.07 1wfn n LEU 24 Cb 0.50 -1.45 -0.12 0.00 -0.11 0.00 0.00 43.42 42.24 1wfn n LEU 24 CO 0.44 -0.61 -0.30 -0.44 -1.51 0.00 0.00 177.39 174.97 1wfn s SER 25 N -0.25 0.06 -0.04 -1.43 0.01 -0.22 -4.99 113.70 106.83 1wfn s SER 25 Ca 0.58 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1wfn s SER 25 Cb -0.60 0.12 0.02 0.00 0.21 0.00 0.00 66.02 65.78 1wfn s SER 25 CO 0.60 -0.18 -0.04 -0.36 0.41 0.00 0.00 173.24 173.68 1wfn s PHE 26 N -0.73 0.69 0.21 2.43 0.08 -1.26 -0.44 117.98 118.97 1wfn s PHE 26 Ca -0.08 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.80 1wfn s PHE 26 Cb -0.05 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 1wfn s PHE 26 CO -0.00 -0.19 0.08 -1.12 -0.10 0.00 0.00 175.22 173.89 1wfn s SER 27 N 0.96 0.87 -1.47 1.36 0.01 -1.05 -4.87 113.70 109.52 1wfn s SER 27 Ca -0.11 -1.32 -0.05 0.00 1.31 0.00 0.00 55.95 55.79 1wfn s SER 27 Cb -0.14 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1wfn s SER 27 CO -0.00 -0.72 0.19 -0.62 0.41 0.00 0.00 173.24 172.50 1wfn n GLU 28 N -0.33 -1.41 -2.79 12.44 1.02 -1.26 -1.91 120.64 126.40 1wfn n GLU 28 Ca -0.02 0.17 -0.33 0.00 -0.02 0.00 0.00 57.16 56.96 1wfn n GLU 28 Cb 0.65 -3.69 -0.07 0.00 -0.02 0.00 0.00 31.44 28.32 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 -4.17 4.32 0.00 -3.67 1.01 -1.26 -4.16 121.20 113.27 1wfn s ILE 29 Ca 0.07 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1wfn s ILE 29 Cb -0.04 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1wfn s ILE 29 CO 0.97 -0.30 0.00 0.18 0.00 0.00 0.00 174.94 175.78 1wfn n LEU 30 N -0.65 0.00 -0.02 2.97 4.77 0.17 -4.72 117.00 119.52 1wfn n LEU 30 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1wfn n LEU 30 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1wfn n LEU 30 CO 0.37 0.00 -0.70 -0.90 -1.33 0.00 0.00 177.39 174.83 1wfn n ASP 31 N 0.00 2.61 -0.65 -1.43 5.75 -1.25 0.22 116.55 121.80 1wfn n ASP 31 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1wfn n ASP 31 Cb 0.00 1.19 -0.00 0.00 -1.03 0.00 0.00 41.12 41.27 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 -2.06 0.00 -3.66 2.12 -2.24 -1.26 -0.66 114.28 106.52 1wfn n THR 32 Ca -0.07 -0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 1wfn n THR 32 Cb 0.49 0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.71 -0.83 0.09 3.42 1.04 -1.26 -1.47 113.70 113.98 1wfn s SER 33 Ca 0.03 1.35 -0.16 0.00 0.48 0.00 0.00 55.95 57.65 1wfn s SER 33 Cb 0.04 1.27 0.03 0.00 0.10 0.00 0.00 66.02 67.46 1wfn s SER 33 CO -0.02 -0.23 0.39 -1.48 0.98 0.00 0.00 173.24 172.88 1wfn s LEU 34 N 1.65 0.49 -0.07 2.42 0.05 -0.14 0.45 118.68 123.53 1wfn s LEU 34 Ca -0.10 -0.24 -0.08 0.00 0.05 0.00 0.00 54.13 53.77 1wfn s LEU 34 Cb -0.06 1.73 -0.04 0.00 -2.05 0.00 0.00 46.19 45.76 1wfn s LEU 34 CO -0.18 -0.78 0.21 -0.75 -0.55 0.00 0.00 176.35 174.30 1wfn s LYS 35 N -3.34 3.54 -0.12 1.48 2.36 -0.80 0.19 119.74 123.04 1wfn s LYS 35 Ca 0.00 -0.04 0.03 0.00 -2.55 0.00 0.00 55.97 53.41 1wfn s LYS 35 Cb 0.01 -3.17 0.01 0.00 -1.05 0.00 0.00 37.83 33.62 1wfn s LYS 35 CO -0.09 0.74 -0.23 0.08 1.55 0.00 0.00 175.35 177.41 1wfn s VAL 36 N -1.10 2.09 0.19 4.02 1.01 0.42 -2.52 120.40 124.51 1wfn s VAL 36 Ca 0.19 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1wfn s VAL 36 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1wfn s VAL 36 CO 0.08 0.55 -0.18 -0.94 0.00 0.00 0.00 175.10 174.62 1wfn s SER 37 N 0.62 2.84 0.32 3.32 1.04 0.42 0.10 113.70 122.36 1wfn s SER 37 Ca -0.12 -0.93 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 1wfn s SER 37 Cb -0.17 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.82 1wfn s SER 37 CO 0.03 -0.05 0.78 -1.66 0.98 0.00 0.00 173.24 173.32 1wfn s TRP 38 N -2.35 -0.01 0.44 5.02 -2.14 0.16 -1.06 118.94 119.00 1wfn s TRP 38 Ca 0.20 -0.55 0.02 0.00 2.66 0.00 0.00 56.10 58.43 1wfn s TRP 38 Cb -0.04 0.77 -0.01 0.00 -3.10 0.00 0.00 33.47 31.09 1wfn s TRP 38 CO 0.08 -1.38 0.06 1.04 -2.66 0.00 0.00 176.95 174.09 1wfn n GLN 39 N -0.51 0.74 -2.68 3.25 1.13 -1.26 -4.68 117.38 113.37 1wfn n GLN 39 Ca -0.06 -3.40 -0.39 0.00 -1.94 0.00 0.00 57.00 51.21 1wfn n GLN 39 Cb 0.60 1.28 -0.06 0.00 0.11 0.00 0.00 30.24 32.17 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 -3.62 4.71 0.50 -1.09 2.02 -1.26 0.31 118.70 120.27 1wfn s GLU 40 Ca 0.08 1.53 -0.20 0.00 0.02 0.00 0.00 54.97 56.41 1wfn s GLU 40 Cb 0.00 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 1wfn s GLU 40 CO 0.06 0.36 1.04 -1.25 0.02 0.00 0.00 175.26 175.49 1wfn s PRO 41 N -1.49 3.75 0.24 0.39 0.04 -1.26 -4.04 135.00 132.62 1wfn s PRO 41 Ca 0.45 1.33 0.06 0.00 0.04 0.00 0.00 61.00 62.88 1wfn s PRO 41 Cb -0.26 -2.09 0.24 0.00 0.04 0.00 0.00 34.50 32.44 1wfn s PRO 41 CO 0.32 -0.47 1.55 0.78 0.04 0.00 0.00 177.00 179.22 1wfn h GLY 42 N 1.41 0.17 -3.84 0.56 0.00 -1.91 -3.17 103.07 96.28 1wfn h GLY 42 Ca -0.49 -0.22 -0.32 0.00 0.00 0.00 0.00 47.33 46.30 1wfn h GLY 42 CO 0.59 0.20 0.22 1.18 0.00 0.00 0.00 176.54 178.73 1wfn n GLU 43 N -3.81 1.92 -0.55 4.80 -0.58 -1.26 -4.60 120.64 116.55 1wfn n GLU 43 Ca -0.02 -1.51 0.44 0.00 -0.42 0.00 0.00 57.16 55.65 1wfn n GLU 43 Cb 0.65 -1.77 0.74 0.00 -0.57 0.00 0.00 31.44 30.49 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 2.16 0.03 -4.27 3.49 1.57 -1.94 -3.26 116.57 114.35 1wfn h LYS 44 Ca 0.27 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1wfn h LYS 44 Cb 0.96 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1wfn h LYS 44 CO 0.61 0.02 -0.05 0.09 -0.57 0.00 0.00 179.45 179.55 1wfn n ASN 45 N -4.34 -1.32 0.00 0.86 3.02 -1.26 -3.98 115.26 108.24 1wfn n ASN 45 Ca 0.40 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1wfn n ASN 45 Cb 1.69 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.46 0.57 3.06 7.41 0.00 -1.26 -4.92 105.19 109.58 1wfn n GLY 46 Ca -0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 0.89 0.12 -0.61 -1.09 -1.26 -5.13 121.20 114.11 1wfn s ILE 47 Ca 0.00 -0.47 -0.22 0.00 -2.23 0.00 0.00 60.65 57.73 1wfn s ILE 47 Cb 0.00 -0.74 -0.07 0.00 -1.58 0.00 0.00 42.46 40.06 1wfn s ILE 47 CO 0.00 0.25 0.67 -0.76 -1.23 0.00 0.00 174.94 173.87 1wfn s LEU 48 N -0.22 4.56 0.00 2.97 2.01 -1.26 -4.09 118.68 122.65 1wfn s LEU 48 Ca 0.04 1.45 0.15 0.00 0.01 0.00 0.00 54.13 55.77 1wfn s LEU 48 Cb -0.05 -3.09 0.16 0.00 0.01 0.00 0.00 46.19 43.22 1wfn s LEU 48 CO -0.00 0.24 1.02 0.35 1.01 0.00 0.00 176.35 178.97 1wfn n THR 49 N 1.65 0.12 -0.91 5.49 -2.24 0.73 -4.55 114.28 114.58 1wfn n THR 49 Ca -0.08 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1wfn n THR 49 Cb 0.50 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 -2.32 2.84 3.38 0.00 -1.13 -3.57 105.19 105.23 1wfn n GLY 50 Ca 0.10 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.24 0.22 -0.40 1.61 2.02 0.11 0.15 117.35 118.82 1wfn s TYR 51 Ca 0.00 0.01 -0.15 0.00 -0.37 0.00 0.00 57.07 56.56 1wfn s TYR 51 Cb 0.00 -0.27 0.01 0.00 -0.40 0.00 0.00 41.96 41.30 1wfn s TYR 51 CO 0.00 -0.08 0.29 0.50 -1.57 0.00 0.00 175.55 174.69 1wfn s ARG 52 N 0.63 3.05 0.03 -0.62 3.52 0.12 -0.99 118.95 124.68 1wfn s ARG 52 Ca -0.06 -0.96 0.01 0.00 -0.13 0.00 0.00 55.73 54.59 1wfn s ARG 52 Cb -0.09 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 1wfn s ARG 52 CO -0.01 -0.70 0.09 -1.50 -0.81 0.00 0.00 175.30 172.37 1wfn s ILE 53 N 1.69 4.73 -0.22 4.11 2.07 -1.12 0.13 121.20 132.59 1wfn s ILE 53 Ca 0.05 -0.52 -0.06 0.00 -1.41 0.00 0.00 60.65 58.71 1wfn s ILE 53 Cb -0.19 -3.22 0.11 0.00 0.13 0.00 0.00 42.46 39.29 1wfn s ILE 53 CO 0.10 0.26 0.43 -0.94 -1.91 0.00 0.00 174.94 172.87 1wfn s SER 54 N -2.03 -0.22 -0.23 4.50 1.04 0.55 -2.03 113.70 115.29 1wfn s SER 54 Ca 0.26 0.82 -0.08 0.00 0.48 0.00 0.00 55.95 57.43 1wfn s SER 54 Cb -0.12 1.36 -0.04 0.00 0.10 0.00 0.00 66.02 67.33 1wfn s SER 54 CO 0.18 -0.25 0.09 -1.66 0.98 0.00 0.00 173.24 172.58 1wfn s TRP 55 N 2.62 3.18 -0.00 5.02 -2.14 -1.26 0.88 118.94 127.24 1wfn s TRP 55 Ca 0.03 -0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.69 1wfn s TRP 55 Cb -0.13 -2.21 0.00 0.00 -3.10 0.00 0.00 33.47 28.03 1wfn s TRP 55 CO -0.14 -0.11 -0.01 -1.83 -2.66 0.00 0.00 176.95 172.20 1wfn s GLU 56 N 1.16 0.09 0.98 3.25 -1.05 -0.01 -3.09 118.70 120.02 1wfn s GLU 56 Ca 0.05 -0.02 -0.16 0.00 -0.15 0.00 0.00 54.97 54.69 1wfn s GLU 56 Cb -0.14 -0.11 0.07 0.00 -0.44 0.00 0.00 34.13 33.51 1wfn s GLU 56 CO 0.04 0.01 -0.13 0.39 0.95 0.00 0.00 175.26 176.52 1wfn n GLU 57 N 3.15 -1.46 0.19 -4.83 1.02 -1.22 0.11 120.64 117.60 1wfn n GLU 57 Ca -0.14 -0.43 -0.14 0.00 -0.02 0.00 0.00 57.16 56.44 1wfn n GLU 57 Cb 0.59 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.16 -1.13 -2.11 -0.32 3.20 -1.15 -3.35 116.97 109.94 1wfn h TYR 58 Ca -0.32 0.01 -0.53 0.00 3.14 0.00 0.00 58.73 61.03 1wfn h TYR 58 Cb 0.94 0.45 -0.41 0.00 1.54 0.00 0.00 36.73 39.26 1wfn h TYR 58 CO -1.66 -0.51 -0.96 -1.71 -1.64 0.00 0.00 178.16 171.68 1wfn n ASN 59 N -4.82 2.21 -3.21 -2.11 2.85 -1.26 -4.91 115.26 104.01 1wfn n ASN 59 Ca -0.09 -3.24 -0.01 0.00 -0.11 0.00 0.00 54.58 51.14 1wfn n ASN 59 Cb 0.35 -0.61 -0.03 0.00 1.24 0.00 0.00 39.78 40.74 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 -2.66 0.50 0.36 1.20 0.52 -1.25 -5.00 118.95 112.61 1wfn s ARG 60 Ca 0.43 0.62 0.19 0.00 -0.52 0.00 0.00 55.73 56.45 1wfn s ARG 60 Cb 0.29 0.13 0.39 0.00 0.52 0.00 0.00 34.95 36.27 1wfn s ARG 60 CO -0.10 -0.84 1.59 1.15 0.02 0.00 0.00 175.30 177.13 1wfn h THR 61 N 6.06 0.62 -0.03 0.02 2.02 -1.94 -3.03 112.91 116.63 1wfn h THR 61 Ca -0.13 -1.66 0.01 0.00 0.77 0.00 0.00 66.41 65.40 1wfn h THR 61 Cb 1.16 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1wfn h THR 61 CO 0.23 0.32 0.20 -1.13 0.37 0.00 0.00 175.52 175.52 1wfn h ASN 62 N 0.00 0.00 -0.90 4.18 -1.24 -1.99 0.23 115.58 115.86 1wfn h ASN 62 Ca -0.00 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.39 1wfn h ASN 62 Cb 1.12 0.00 -0.33 0.00 0.73 0.00 0.00 38.32 39.83 1wfn h ASN 62 CO 0.04 0.00 0.27 0.35 -1.29 0.00 0.00 177.43 176.80 1wfn n THR 63 N -3.08 3.22 -3.96 -3.57 -2.24 -1.15 -4.99 114.28 98.52 1wfn n THR 63 Ca -0.02 -3.35 -0.32 0.00 -2.27 0.00 0.00 64.05 58.09 1wfn n THR 63 Cb 0.27 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.33 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 -3.72 3.32 0.08 -0.78 3.00 0.80 -3.81 118.95 117.84 1wfn s ARG 64 Ca 0.59 -0.41 0.03 0.00 -1.00 0.00 0.00 55.73 54.94 1wfn s ARG 64 Cb 0.47 -3.01 -0.03 0.00 0.00 0.00 0.00 34.95 32.38 1wfn s ARG 64 CO 0.01 0.65 -0.09 0.54 0.00 0.00 0.00 175.30 176.41 1wfn s VAL 65 N -1.35 0.77 -0.26 7.11 0.11 -1.18 -4.99 120.40 120.62 1wfn s VAL 65 Ca 0.28 -1.49 -0.01 0.00 -2.93 0.00 0.00 61.98 57.84 1wfn s VAL 65 Cb -0.13 -1.15 0.08 0.00 -1.53 0.00 0.00 36.38 33.65 1wfn s VAL 65 CO 0.20 -0.54 0.04 -0.89 -3.33 0.00 0.00 175.10 170.59 1wfn s THR 66 N -2.23 1.01 0.34 5.04 2.01 -1.26 -3.98 115.64 116.56 1wfn s THR 66 Ca 0.01 -1.16 0.09 0.00 0.31 0.00 0.00 61.69 60.94 1wfn s THR 66 Cb -0.04 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.84 1wfn s THR 66 CO -0.01 -0.39 -0.03 -1.00 -0.69 0.00 0.00 174.62 172.50 1wfn s HIS 67 N 1.60 2.50 0.00 4.92 3.76 -0.86 -5.03 115.29 122.17 1wfn s HIS 67 Ca 0.03 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1wfn s HIS 67 Cb -0.18 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1wfn s HIS 67 CO -0.15 0.52 -0.11 0.71 -0.85 0.00 0.00 174.74 174.87 1wfn s TYR 68 N -2.54 0.94 0.12 1.40 2.02 -1.26 -2.78 117.35 115.25 1wfn s TYR 68 Ca 0.34 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1wfn s TYR 68 Cb 0.01 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1wfn s TYR 68 CO 0.18 -0.01 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.56 1wfn s LEU 69 N -0.43 2.52 0.98 -1.29 1.43 -0.17 -4.95 118.68 116.77 1wfn s LEU 69 Ca 0.03 -1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 51.97 1wfn s LEU 69 Cb -0.05 -0.21 0.18 0.00 0.03 0.00 0.00 46.19 46.14 1wfn s LEU 69 CO -0.00 -0.40 1.17 -2.16 0.23 0.00 0.00 176.35 175.19 1wfn s PRO 70 N -3.79 0.54 -0.06 1.29 0.04 -1.26 0.08 135.00 131.84 1wfn s PRO 70 Ca 0.14 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.27 1wfn s PRO 70 Cb 0.04 -1.79 0.17 0.00 0.04 0.00 0.00 34.50 32.96 1wfn s PRO 70 CO -0.02 -2.56 0.84 0.27 0.04 0.00 0.00 177.00 175.57 1wfn n ASN 71 N -3.97 2.20 -0.01 6.66 0.23 -1.23 -2.90 115.26 116.24 1wfn n ASN 71 Ca 0.10 -2.22 0.01 0.00 -0.53 0.00 0.00 54.58 51.93 1wfn n ASN 71 Cb 0.59 -0.55 -0.03 0.00 -2.08 0.00 0.00 39.78 37.72 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1wfn n VAL 72 N 0.14 0.08 -4.04 3.53 0.24 -1.26 -4.91 118.33 112.11 1wfn n VAL 72 Ca 0.07 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 1wfn n VAL 72 Cb 0.50 -0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.18 5.01 -0.00 3.34 2.01 -1.14 -4.97 115.64 117.70 1wfn s THR 73 Ca -0.01 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1wfn s THR 73 Cb 0.02 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1wfn s THR 73 CO 0.14 0.42 0.62 0.18 -0.69 0.00 0.00 174.62 175.29 1wfn n LEU 74 N 1.37 0.44 -3.96 4.42 4.77 -1.26 -4.72 117.00 118.06 1wfn n LEU 74 Ca -0.14 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.27 1wfn n LEU 74 Cb 0.53 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 74 CO 0.37 0.12 -0.31 -1.83 -1.33 0.00 0.00 177.39 174.41 1wfn s GLU 75 N -0.23 0.39 0.02 3.23 1.03 -1.26 0.40 118.70 122.27 1wfn s GLU 75 Ca 0.00 -0.61 -0.26 0.00 0.03 0.00 0.00 54.97 54.14 1wfn s GLU 75 Cb 0.00 0.14 0.06 0.00 -0.80 0.00 0.00 34.13 33.54 1wfn s GLU 75 CO 0.00 -0.07 0.59 -0.47 -1.33 0.00 0.00 175.26 173.98 1wfn s TYR 76 N -1.66 -0.53 -0.19 4.83 6.14 0.29 -4.96 117.35 121.26 1wfn s TYR 76 Ca -0.14 0.73 -0.15 0.00 0.64 0.00 0.00 57.07 58.15 1wfn s TYR 76 Cb -0.08 0.39 -0.04 0.00 0.42 0.00 0.00 41.96 42.65 1wfn s TYR 76 CO -0.01 -0.65 0.37 0.50 0.64 0.00 0.00 175.55 176.40 1wfn s ARG 77 N -2.04 4.19 -0.02 4.97 3.52 -1.26 0.16 118.95 128.47 1wfn s ARG 77 Ca -0.07 0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 55.62 1wfn s ARG 77 Cb -0.01 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1wfn s ARG 77 CO 0.02 0.02 0.26 0.08 -0.81 0.00 0.00 175.30 174.87 1wfn s VAL 78 N 1.12 5.32 -0.05 7.11 1.01 0.50 -4.95 120.40 130.45 1wfn s VAL 78 Ca 0.18 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 1wfn s VAL 78 Cb -0.14 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1wfn s VAL 78 CO 0.07 0.43 0.37 0.42 0.00 0.00 0.00 175.10 176.39 1wfn s THR 79 N -1.23 0.04 0.00 3.92 -4.23 -1.26 -0.97 115.64 111.91 1wfn s THR 79 Ca 0.25 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1wfn s THR 79 Cb -0.13 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1wfn s THR 79 CO 0.14 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1wfn n GLY 80 N 1.64 1.38 0.00 3.99 0.00 -0.54 -5.00 105.19 106.66 1wfn n GLY 80 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.82 0.99 4.77 -1.15 -5.08 117.00 112.71 1wfn n LEU 81 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1wfn n LEU 81 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1wfn n LEU 81 CO 0.00 0.00 -0.16 -0.89 -1.33 0.00 0.00 177.39 175.01 1wfn s THR 82 N 0.94 0.02 0.35 -5.08 2.01 -1.23 -4.84 115.64 107.81 1wfn s THR 82 Ca 0.00 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 1wfn s THR 82 Cb 0.00 -0.30 -0.11 0.00 0.01 0.00 0.00 72.50 72.10 1wfn s THR 82 CO 0.00 -0.08 1.52 0.00 -0.69 0.00 0.00 174.62 175.37 1wfn s ALA 83 N -0.22 3.63 -1.18 7.40 0.00 0.16 -2.73 121.76 128.82 1wfn s ALA 83 Ca -0.03 1.57 -0.32 0.00 0.00 0.00 0.00 51.96 53.19 1wfn s ALA 83 Cb -0.03 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1wfn s ALA 83 CO 0.01 -1.03 0.69 1.28 0.00 0.00 0.00 175.76 176.70 1wfn n LEU 84 N 0.97 -0.54 -3.94 0.00 4.77 -1.25 -4.95 117.00 112.06 1wfn n LEU 84 Ca 0.03 -1.26 -0.14 0.00 -0.03 0.00 0.00 56.01 54.61 1wfn n LEU 84 Cb 0.39 -1.68 -0.14 0.00 -2.33 0.00 0.00 43.42 39.66 1wfn n LEU 84 CO 0.64 0.76 -0.39 -0.89 -1.33 0.00 0.00 177.39 176.18 1wfn s THR 85 N -3.48 0.27 0.01 -5.08 2.01 -1.10 -4.90 115.64 103.37 1wfn s THR 85 Ca 0.46 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 1wfn s THR 85 Cb -0.25 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1wfn s THR 85 CO 0.96 0.02 0.94 -0.89 -0.69 0.00 0.00 174.62 174.96 1wfn s THR 86 N -0.22 4.83 0.05 -0.82 2.01 -1.26 -0.44 115.64 119.78 1wfn s THR 86 Ca -0.00 1.98 0.01 0.00 0.31 0.00 0.00 61.69 63.99 1wfn s THR 86 Cb -0.02 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1wfn s THR 86 CO -0.00 0.20 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.76 1wfn s TYR 87 N 0.80 0.59 -0.18 4.92 2.02 0.19 -0.58 117.35 125.12 1wfn s TYR 87 Ca 0.49 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1wfn s TYR 87 Cb -0.21 -0.37 0.03 0.00 -0.40 0.00 0.00 41.96 41.01 1wfn s TYR 87 CO 0.27 -0.16 -0.13 0.99 -1.57 0.00 0.00 175.55 174.95 1wfn s THR 88 N -2.20 1.65 -0.29 -0.71 2.01 0.29 0.20 115.64 116.60 1wfn s THR 88 Ca -0.05 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 1wfn s THR 88 Cb -0.04 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1wfn s THR 88 CO -0.02 0.31 0.33 -0.63 -0.69 0.00 0.00 174.62 173.91 1wfn s ILE 89 N 1.42 5.21 -0.33 1.82 -1.09 -0.82 -0.83 121.20 126.58 1wfn s ILE 89 Ca 0.02 0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 58.66 1wfn s ILE 89 Cb -0.15 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1wfn s ILE 89 CO -0.09 0.12 0.20 -1.61 -1.23 0.00 0.00 174.94 172.32 1wfn s GLU 90 N 1.98 3.43 -0.28 2.79 2.02 0.25 -1.72 118.70 127.17 1wfn s GLU 90 Ca 0.12 -0.68 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 1wfn s GLU 90 Cb -0.16 -3.70 -0.01 0.00 0.10 0.00 0.00 34.13 30.37 1wfn s GLU 90 CO 0.11 -0.43 0.08 0.08 0.02 0.00 0.00 175.26 175.11 1wfn s VAL 91 N 1.67 4.13 0.26 2.63 1.01 -0.57 -0.33 120.40 129.21 1wfn s VAL 91 Ca 0.05 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.68 1wfn s VAL 91 Cb -0.17 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1wfn s VAL 91 CO 0.09 0.19 -0.14 0.00 0.00 0.00 0.00 175.10 175.24 1wfn s ALA 92 N 1.55 2.86 0.37 5.51 0.00 0.12 -0.74 121.76 131.43 1wfn s ALA 92 Ca 0.04 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1wfn s ALA 92 Cb -0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1wfn s ALA 92 CO 0.03 0.30 0.48 0.00 0.00 0.00 0.00 175.76 176.58 1wfn s ALA 93 N -2.32 4.30 -0.02 0.00 0.00 -1.25 0.10 121.76 122.56 1wfn s ALA 93 Ca 0.29 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1wfn s ALA 93 Cb -0.06 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1wfn s ALA 93 CO 0.16 -0.13 0.02 -1.64 0.00 0.00 0.00 175.76 174.17 1wfn s MET 94 N -4.22 0.02 0.00 0.00 -1.94 0.12 -2.85 119.30 110.43 1wfn s MET 94 Ca 0.49 0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1wfn s MET 94 Cb -0.09 -0.27 0.00 0.00 2.01 0.00 0.00 34.83 36.48 1wfn s MET 94 CO 0.31 -0.15 0.00 0.25 -0.01 0.00 0.00 175.02 175.42 1wfn n THR 95 N 4.10 0.00 1.90 2.05 -2.24 0.89 0.26 114.28 121.25 1wfn n THR 95 Ca -0.27 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.60 1wfn n THR 95 Cb 0.51 -0.02 0.48 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.66 0.20 -0.05 3.42 3.41 -1.26 -3.39 113.62 115.30 1wfn n SER 96 Ca 0.00 -1.51 -0.08 0.00 -0.26 0.00 0.00 58.87 57.02 1wfn n SER 96 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wfn n LYS 97 N -0.63 0.25 0.00 4.33 3.00 -1.26 -5.14 118.16 118.71 1wfn n LYS 97 Ca 0.13 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1wfn n LYS 97 Cb 0.09 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 33.99 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 2.86 -0.55 3.81 3.14 0.00 -1.22 -5.06 105.19 108.16 1wfn n GLY 98 Ca -0.19 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.67 3.14 0.00 1.61 0.74 -1.26 -0.07 119.66 122.14 1wfn s GLN 99 Ca 0.00 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 54.97 1wfn s GLN 99 Cb 0.00 -2.91 0.00 0.00 1.10 0.00 0.00 33.01 31.20 1wfn s GLN 99 CO 0.00 0.66 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 1wfn n GLY 100 N 1.18 3.09 2.14 2.59 0.00 -1.13 -4.80 105.19 108.25 1wfn n GLY 100 Ca -0.13 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.73 -3.73 1.61 7.27 -0.82 -4.68 117.38 115.30 1wfn n GLN 101 Ca 0.00 -0.64 -0.14 0.00 0.07 0.00 0.00 57.00 56.30 1wfn n GLN 101 Cb 0.00 -1.10 -0.09 0.00 2.41 0.00 0.00 30.24 31.46 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 -1.64 0.04 -0.39 1.69 0.11 -1.26 -3.94 120.40 115.01 1wfn s VAL 102 Ca 0.29 -0.35 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1wfn s VAL 102 Cb -0.05 -0.65 0.10 0.00 -1.53 0.00 0.00 36.38 34.25 1wfn s VAL 102 CO 0.25 -0.19 0.18 -0.44 -3.33 0.00 0.00 175.10 171.56 1wfn s SER 103 N -1.07 5.24 -0.26 3.54 0.01 0.08 -4.85 113.70 116.38 1wfn s SER 103 Ca -0.11 -1.86 -0.13 0.00 1.31 0.00 0.00 55.95 55.16 1wfn s SER 103 Cb -0.04 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1wfn s SER 103 CO 0.04 -0.50 0.29 0.00 0.41 0.00 0.00 173.24 173.48 1wfn s ALA 104 N 1.19 3.56 -0.13 1.44 0.00 -1.25 -1.51 121.76 125.06 1wfn s ALA 104 Ca 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1wfn s ALA 104 Cb -0.22 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1wfn s ALA 104 CO -0.03 -0.54 -0.22 -1.12 0.00 0.00 0.00 175.76 173.85 1wfn s SER 105 N 1.57 3.06 0.08 0.00 0.01 -0.70 -4.90 113.70 112.82 1wfn s SER 105 Ca 0.12 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1wfn s SER 105 Cb -0.16 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.61 1wfn s SER 105 CO 0.10 0.09 1.10 -0.89 0.41 0.00 0.00 173.24 174.05 1wfn s THR 106 N 0.72 4.23 -0.10 1.44 2.01 -1.26 -1.94 115.64 120.73 1wfn s THR 106 Ca -0.10 1.69 -0.05 0.00 0.31 0.00 0.00 61.69 63.54 1wfn s THR 106 Cb -0.16 -4.08 0.05 0.00 0.01 0.00 0.00 72.50 68.31 1wfn s THR 106 CO 0.01 0.18 0.24 -0.51 -0.69 0.00 0.00 174.62 173.85 1wfn s ILE 107 N 0.62 -0.04 -0.28 1.82 1.10 0.54 -4.95 121.20 120.01 1wfn s ILE 107 Ca 0.54 0.15 -0.11 0.00 -0.51 0.00 0.00 60.65 60.71 1wfn s ILE 107 Cb -0.27 -0.38 -0.05 0.00 0.15 0.00 0.00 42.46 41.92 1wfn s ILE 107 CO 0.30 0.06 0.18 -0.55 -2.11 0.00 0.00 174.94 172.83 1wfn s SER 108 N 1.24 5.98 0.13 4.50 0.15 -1.26 0.57 113.70 125.00 1wfn s SER 108 Ca -0.09 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.28 1wfn s SER 108 Cb -0.10 -2.11 -0.15 0.00 -1.71 0.00 0.00 66.02 61.95 1wfn s SER 108 CO -0.08 -0.05 0.55 -1.54 1.20 0.00 0.00 173.24 173.32 1wfn n SER 109 N 5.05 -0.83 0.00 5.45 3.41 0.41 -4.81 113.62 122.31 1wfn n SER 109 Ca -0.14 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1wfn n SER 109 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.61 -2.42 3.65 5.00 0.00 0.60 -3.94 105.19 109.69 1wfn n GLY 110 Ca 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.42 0.00 -0.02 1.61 0.11 -0.62 -4.53 120.40 116.53 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 1.20 -2.16 -3.33 0.00 0.00 175.10 170.81 1wfn s PRO 112 N -0.25 4.37 -0.42 1.54 0.04 -1.26 -3.89 135.00 135.12 1wfn s PRO 112 Ca 0.08 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 1wfn s PRO 112 Cb -0.04 -3.50 -0.16 0.00 0.04 0.00 0.00 34.50 30.84 1wfn s PRO 112 CO -0.13 -0.39 2.72 -0.35 0.04 0.00 0.00 177.00 178.89 1wfn n PRO 113 N 4.85 1.95 -2.80 0.56 -0.04 -1.26 -4.88 135.00 133.37 1wfn n PRO 113 Ca 0.10 -1.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.05 1wfn n PRO 113 Cb 0.46 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1wfn n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfn s SER 114 N 2.46 7.33 0.00 3.54 0.01 -1.26 -4.89 113.70 120.90 1wfn s SER 114 Ca 0.51 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1wfn s SER 114 Cb 0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1wfn s SER 114 CO -0.02 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1wfn n GLY 115 N 2.67 2.56 2.65 3.44 0.00 -1.26 -5.08 105.19 110.16 1wfn n GLY 115 Ca 0.03 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1wfn n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfn n PRO 116 N 1.06 -1.72 0.04 1.61 -0.04 -1.26 -4.94 135.00 129.76 1wfn n PRO 116 Ca 0.00 -1.37 0.13 0.00 -0.04 0.00 0.00 63.50 62.22 1wfn n PRO 116 Cb 0.00 -1.08 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 1wfn n PRO 116 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfn n SER 117 N -3.97 0.33 -0.06 3.54 3.41 -1.26 -3.79 113.62 111.82 1wfn n SER 117 Ca 0.11 0.54 -0.04 0.00 -0.26 0.00 0.00 58.87 59.22 1wfn n SER 117 Cb 0.42 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 1wfn n SER 117 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfn h SER 118 N 0.00 0.00 -0.00 4.04 0.87 -2.03 -3.57 113.55 112.86 1wfn h SER 118 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1wfn h SER 118 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1wfn h SER 118 CO 0.00 0.71 0.00 0.61 -0.53 0.00 0.00 176.83 177.62