#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 -0.61 -0.08 1.61 0.15 -1.26 -4.81 113.70 108.70 1wfn s SER 2 Ca 0.00 1.05 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 1wfn s SER 2 Cb 0.00 0.95 0.10 0.00 -1.71 0.00 0.00 66.02 65.36 1wfn s SER 2 CO 0.00 -0.20 0.85 -0.44 1.20 0.00 0.00 173.24 174.65 1wfn s SER 3 N 1.25 -0.48 0.05 5.45 0.01 -1.26 -5.07 113.70 113.65 1wfn s SER 3 Ca -0.08 0.42 -0.15 0.00 1.31 0.00 0.00 55.95 57.45 1wfn s SER 3 Cb -0.07 0.42 0.03 0.00 0.21 0.00 0.00 66.02 66.60 1wfn s SER 3 CO -0.12 -0.52 0.35 -0.83 0.41 0.00 0.00 173.24 172.53 1wfn s GLY 4 N -1.46 -0.19 -0.25 3.44 0.00 -1.26 -5.14 107.32 102.47 1wfn s GLY 4 Ca -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.76 1wfn s GLY 4 CO 0.02 -0.13 0.41 -0.56 0.00 0.00 0.00 173.10 172.83 1wfn s SER 5 N -2.12 0.02 0.13 1.64 0.01 -1.26 -5.16 113.70 106.97 1wfn s SER 5 Ca -0.04 0.33 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 1wfn s SER 5 Cb -0.00 1.26 -0.04 0.00 0.21 0.00 0.00 66.02 67.44 1wfn s SER 5 CO -0.04 -0.29 0.04 -0.94 0.41 0.00 0.00 173.24 172.42 1wfn s SER 6 N 2.59 0.53 -0.35 2.44 1.04 -1.26 -5.13 113.70 113.55 1wfn s SER 6 Ca 0.13 -1.19 0.02 0.00 0.48 0.00 0.00 55.95 55.40 1wfn s SER 6 Cb -0.15 0.25 0.15 0.00 0.10 0.00 0.00 66.02 66.37 1wfn s SER 6 CO -0.16 -0.68 0.35 -0.83 0.98 0.00 0.00 173.24 172.89 1wfn s GLY 7 N -3.07 0.03 0.92 7.32 0.00 -1.26 -5.15 107.32 106.11 1wfn s GLY 7 Ca 0.23 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.88 1wfn s GLY 7 CO 0.01 2.66 1.02 -1.55 0.00 0.00 0.00 173.10 175.25 1wfn n PRO 8 N 4.45 -1.93 -2.08 2.90 -0.04 -1.26 -4.98 135.00 132.06 1wfn n PRO 8 Ca 0.08 -1.60 -0.41 0.00 -0.04 0.00 0.00 63.50 61.53 1wfn n PRO 8 Cb 0.45 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1wfn n PRO 8 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wfn s GLN 9 N -5.27 4.31 0.21 0.54 -0.21 -1.26 -4.91 119.66 113.07 1wfn s GLN 9 Ca 0.61 2.22 -0.32 0.00 0.02 0.00 0.00 55.36 57.90 1wfn s GLN 9 Cb -0.04 -3.13 -0.15 0.00 1.00 0.00 0.00 33.01 30.69 1wfn s GLN 9 CO 0.45 -0.35 1.23 1.28 -2.12 0.00 0.00 175.29 175.78 1wfn n LEU 10 N 2.33 2.08 -3.63 2.90 4.32 -1.26 -4.97 117.00 118.76 1wfn n LEU 10 Ca 0.06 1.15 -0.14 0.00 -0.02 0.00 0.00 56.01 57.06 1wfn n LEU 10 Cb 0.41 -1.29 -0.07 0.00 -1.62 0.00 0.00 43.42 40.85 1wfn n LEU 10 CO 0.60 -1.04 0.42 0.54 -1.22 0.00 0.00 177.39 176.68 1wfn s VAL 11 N -0.23 0.00 -0.30 4.08 0.11 -1.26 -5.14 120.40 117.66 1wfn s VAL 11 Ca 0.70 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.76 1wfn s VAL 11 Cb -0.77 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.15 1wfn s VAL 11 CO 0.52 -0.00 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.14 1wfn s ARG 12 N 0.37 2.14 0.01 1.54 0.52 -1.26 -5.09 118.95 117.18 1wfn s ARG 12 Ca -0.00 -1.46 0.03 0.00 -0.52 0.00 0.00 55.73 53.78 1wfn s ARG 12 Cb -0.05 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 1wfn s ARG 12 CO 0.01 -0.70 -0.10 0.95 0.02 0.00 0.00 175.30 175.48 1wfn s THR 13 N 1.12 0.80 0.93 0.02 -4.23 -1.26 -5.15 115.64 107.86 1wfn s THR 13 Ca -0.03 -0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1wfn s THR 13 Cb -0.20 -0.71 0.18 0.00 1.34 0.00 0.00 72.50 73.12 1wfn s THR 13 CO -0.04 0.10 1.28 -1.00 -0.54 0.00 0.00 174.62 174.42 1wfn s HIS 14 N -0.49 1.69 -0.22 3.99 3.76 -1.26 -5.11 115.29 117.65 1wfn s HIS 14 Ca 0.02 0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.92 1wfn s HIS 14 Cb -0.05 -3.97 0.16 0.00 1.11 0.00 0.00 32.58 29.83 1wfn s HIS 14 CO 0.00 -2.50 1.17 -1.21 -0.85 0.00 0.00 174.74 171.35 1wfn s GLU 15 N -5.80 0.34 -0.11 1.40 2.02 -1.26 -5.08 118.70 110.21 1wfn s GLU 15 Ca 0.72 0.10 -0.10 0.00 0.02 0.00 0.00 54.97 55.71 1wfn s GLU 15 Cb -0.04 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 1wfn s GLU 15 CO 0.52 -0.10 -0.22 -3.47 0.02 0.00 0.00 175.26 172.01 1wfn n ASP 16 N 0.72 1.50 -4.10 -0.19 -0.08 -1.26 -5.03 116.55 108.12 1wfn n ASP 16 Ca -0.06 0.24 -0.36 0.00 -1.51 0.00 0.00 54.79 53.10 1wfn n ASP 16 Cb 0.58 -0.56 0.07 0.00 2.34 0.00 0.00 41.12 43.54 1wfn n ASP 16 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wfn n VAL 17 N -4.00 0.00 -1.47 5.18 0.24 -1.26 -4.69 118.33 112.33 1wfn n VAL 17 Ca -0.17 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 1wfn n VAL 17 Cb 0.46 -0.17 0.22 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.25 -2.14 0.00 7.34 -0.04 -1.26 -4.82 135.00 135.33 1wfn n PRO 18 Ca -0.00 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1wfn n PRO 18 Cb 0.64 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -3.92 2.41 3.72 0.55 0.00 -1.22 -2.03 105.19 104.70 1wfn n GLY 19 Ca 0.15 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 3.59 4.47 0.42 1.61 0.04 -1.26 -3.75 135.00 140.11 1wfn s PRO 20 Ca 0.00 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 1wfn s PRO 20 Cb 0.00 -3.35 0.10 0.00 0.04 0.00 0.00 34.50 31.29 1wfn s PRO 20 CO 0.00 -0.19 0.23 1.33 0.04 0.00 0.00 177.00 178.41 1wfn n VAL 21 N 3.71 0.00 0.00 -0.36 0.24 -1.26 -4.51 118.33 116.14 1wfn n VAL 21 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1wfn n VAL 21 Cb 0.47 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 -1.35 -3.51 3.36 7.63 0.00 0.22 -4.72 105.19 106.83 1wfn n GLY 22 Ca 0.04 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1wfn n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wfn s HIS 23 N 0.00 3.27 0.57 1.61 0.09 -1.26 -4.67 115.29 114.89 1wfn s HIS 23 Ca 0.00 -1.04 -0.19 0.00 -0.00 0.00 0.00 55.06 53.83 1wfn s HIS 23 Cb 0.00 -2.87 -0.07 0.00 -0.00 0.00 0.00 32.58 29.64 1wfn s HIS 23 CO 0.00 -0.75 0.74 1.28 -0.00 0.00 0.00 174.74 176.02 1wfn n LEU 24 N 5.08 2.09 -3.92 0.89 4.32 -1.26 -4.48 117.00 119.72 1wfn n LEU 24 Ca -0.11 0.79 -0.10 0.00 -0.02 0.00 0.00 56.01 56.57 1wfn n LEU 24 Cb 0.44 -1.27 -0.10 0.00 -1.62 0.00 0.00 43.42 40.87 1wfn n LEU 24 CO 0.42 -2.43 -0.22 -0.55 -1.22 0.00 0.00 177.39 173.38 1wfn s SER 25 N -1.16 0.15 -0.06 -1.43 0.15 -0.72 -4.93 113.70 105.69 1wfn s SER 25 Ca 0.71 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wfn s SER 25 Cb -0.45 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1wfn s SER 25 CO 0.52 -0.45 -0.03 -0.36 1.20 0.00 0.00 173.24 174.11 1wfn s PHE 26 N -2.14 0.82 0.33 3.44 0.08 -1.26 -0.88 117.98 118.37 1wfn s PHE 26 Ca -0.09 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1wfn s PHE 26 Cb -0.04 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1wfn s PHE 26 CO -0.02 -0.28 0.15 -1.54 -0.10 0.00 0.00 175.22 173.42 1wfn s SER 27 N 1.38 1.95 -1.33 1.36 1.04 -0.75 -4.88 113.70 112.47 1wfn s SER 27 Ca -0.04 -1.58 -0.22 0.00 0.48 0.00 0.00 55.95 54.60 1wfn s SER 27 Cb -0.13 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1wfn s SER 27 CO -0.03 -0.88 0.41 -0.62 0.98 0.00 0.00 173.24 173.10 1wfn n GLU 28 N -0.68 -0.49 -3.25 4.02 -0.58 -1.26 -1.01 120.64 117.39 1wfn n GLU 28 Ca -0.01 0.06 -0.39 0.00 -0.42 0.00 0.00 57.16 56.41 1wfn n GLU 28 Cb 0.65 -2.84 -0.06 0.00 -0.57 0.00 0.00 31.44 28.62 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wfn s ILE 29 N -3.87 4.98 0.00 -3.67 1.01 -1.26 -3.87 121.20 114.51 1wfn s ILE 29 Ca 0.30 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1wfn s ILE 29 Cb -0.17 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1wfn s ILE 29 CO 0.97 0.41 0.00 0.18 0.00 0.00 0.00 174.94 176.51 1wfn n LEU 30 N 2.84 0.00 -0.04 2.97 7.99 0.23 -4.61 117.00 126.38 1wfn n LEU 30 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.88 1wfn n LEU 30 Cb 0.51 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.76 1wfn n LEU 30 CO 0.43 0.00 -0.77 -0.90 -1.51 0.00 0.00 177.39 174.64 1wfn n ASP 31 N 0.00 3.00 -0.38 -1.43 5.75 -1.25 0.21 116.55 122.44 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 0.63 0.00 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 -2.35 0.00 -3.77 2.12 -2.24 -1.26 -1.79 114.28 104.99 1wfn n THR 32 Ca -0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1wfn n THR 32 Cb 0.76 0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.55 -0.09 -0.03 3.42 1.04 -1.26 -1.59 113.70 114.65 1wfn s SER 33 Ca 0.00 0.25 -0.23 0.00 0.48 0.00 0.00 55.95 56.45 1wfn s SER 33 Cb 0.00 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.33 1wfn s SER 33 CO 0.00 -0.12 0.51 -1.48 0.98 0.00 0.00 173.24 173.13 1wfn s LEU 34 N 0.92 0.04 -0.11 2.42 0.05 -0.56 0.75 118.68 122.19 1wfn s LEU 34 Ca -0.07 0.41 -0.14 0.00 0.05 0.00 0.00 54.13 54.38 1wfn s LEU 34 Cb -0.09 1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 45.96 1wfn s LEU 34 CO -0.04 -0.55 0.33 -0.75 -0.55 0.00 0.00 176.35 174.79 1wfn s LYS 35 N -1.34 4.10 0.02 1.48 2.20 -0.18 0.97 119.74 127.00 1wfn s LYS 35 Ca -0.12 0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 1wfn s LYS 35 Cb -0.02 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1wfn s LYS 35 CO 0.07 0.39 0.02 0.08 -0.36 0.00 0.00 175.35 175.55 1wfn s VAL 36 N -0.04 4.24 0.20 4.02 1.01 0.14 -1.81 120.40 128.17 1wfn s VAL 36 Ca 0.19 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1wfn s VAL 36 Cb -0.14 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1wfn s VAL 36 CO 0.07 0.30 0.19 -0.94 0.00 0.00 0.00 175.10 174.72 1wfn s SER 37 N -1.81 0.11 -0.16 3.32 1.04 -0.06 0.16 113.70 116.30 1wfn s SER 37 Ca 0.22 -1.28 -0.35 0.00 0.48 0.00 0.00 55.95 55.03 1wfn s SER 37 Cb -0.12 0.41 0.14 0.00 0.10 0.00 0.00 66.02 66.56 1wfn s SER 37 CO 0.13 -0.89 1.31 -1.66 0.98 0.00 0.00 173.24 173.12 1wfn s TRP 38 N -4.12 -0.05 0.54 5.02 -2.14 0.14 -1.76 118.94 116.57 1wfn s TRP 38 Ca 0.34 0.01 0.04 0.00 2.66 0.00 0.00 56.10 59.15 1wfn s TRP 38 Cb 0.05 0.52 0.03 0.00 -3.10 0.00 0.00 33.47 30.97 1wfn s TRP 38 CO 0.10 -0.14 0.29 -0.65 -2.66 0.00 0.00 176.95 173.90 1wfn s GLN 39 N -2.25 2.24 0.13 3.25 -0.21 -1.26 -4.64 119.66 116.92 1wfn s GLN 39 Ca 0.12 -2.15 -0.29 0.00 0.02 0.00 0.00 55.36 53.06 1wfn s GLN 39 Cb 0.02 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 32.04 1wfn s GLN 39 CO -0.04 -0.57 0.91 -1.21 -2.12 0.00 0.00 175.29 172.25 1wfn s GLU 40 N -4.18 4.69 0.50 2.91 2.02 -1.26 -0.61 118.70 122.77 1wfn s GLU 40 Ca 0.24 1.37 -0.20 0.00 0.02 0.00 0.00 54.97 56.41 1wfn s GLU 40 Cb -0.01 -3.34 -0.08 0.00 0.10 0.00 0.00 34.13 30.79 1wfn s GLU 40 CO 0.15 0.33 1.04 -1.25 0.02 0.00 0.00 175.26 175.55 1wfn s PRO 41 N -0.38 3.75 0.00 0.39 0.04 -1.26 -4.17 135.00 133.38 1wfn s PRO 41 Ca 0.43 1.33 0.29 0.00 0.04 0.00 0.00 61.00 63.09 1wfn s PRO 41 Cb -0.23 -2.09 1.32 0.00 0.04 0.00 0.00 34.50 33.53 1wfn s PRO 41 CO 0.29 -0.47 1.94 0.41 0.04 0.00 0.00 177.00 179.21 1wfn n GLY 42 N -0.38 -1.27 2.01 0.56 0.00 -1.26 -3.38 105.19 101.48 1wfn n GLY 42 Ca 0.09 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1wfn n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfn n GLU 43 N -1.29 2.56 -0.53 1.61 -0.58 -1.26 -4.71 120.64 116.45 1wfn n GLU 43 Ca 0.12 -3.36 0.43 0.00 -0.42 0.00 0.00 57.16 53.94 1wfn n GLU 43 Cb 0.28 -2.16 0.71 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.98 -0.03 -4.42 3.49 5.02 -1.22 -3.41 118.16 116.61 1wfn n LYS 44 Ca 0.53 1.22 -0.38 0.00 -2.02 0.00 0.00 58.31 57.66 1wfn n LYS 44 Cb 1.03 -2.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.46 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 -4.55 -0.91 0.00 4.39 3.02 -1.26 -4.26 115.26 111.69 1wfn n ASN 45 Ca 0.42 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1wfn n ASN 45 Cb 1.68 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.54 0.93 3.43 7.41 0.00 -1.26 -4.78 105.19 109.38 1wfn n GLY 46 Ca -0.02 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.54 4.79 0.42 -0.61 -1.09 -1.26 -5.06 121.20 115.85 1wfn s ILE 47 Ca 0.00 -0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 57.55 1wfn s ILE 47 Cb 0.00 -3.57 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 1wfn s ILE 47 CO 0.00 -0.12 1.47 -0.76 -1.23 0.00 0.00 174.94 174.29 1wfn s LEU 48 N 1.62 4.20 -0.01 2.97 1.43 -1.26 -3.89 118.68 123.74 1wfn s LEU 48 Ca 0.04 3.01 0.08 0.00 -1.03 0.00 0.00 54.13 56.23 1wfn s LEU 48 Cb -0.18 -3.81 -0.12 0.00 0.03 0.00 0.00 46.19 42.11 1wfn s LEU 48 CO 0.08 -1.06 0.21 0.35 0.23 0.00 0.00 176.35 176.16 1wfn n THR 49 N 0.09 0.00 -3.35 5.49 -2.24 0.62 -4.72 114.28 110.17 1wfn n THR 49 Ca 0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1wfn n THR 49 Cb 0.40 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.85 -1.15 2.96 3.38 0.00 -0.58 -2.95 105.19 108.70 1wfn n GLY 50 Ca -0.01 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 -0.12 -0.35 1.61 2.02 0.89 0.16 117.35 118.55 1wfn s TYR 51 Ca 0.00 0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.90 1wfn s TYR 51 Cb 0.00 -0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.55 1wfn s TYR 51 CO 0.00 -0.08 0.24 0.50 -1.57 0.00 0.00 175.55 174.63 1wfn s ARG 52 N 0.37 3.37 0.07 -0.62 3.52 0.23 -1.01 118.95 124.88 1wfn s ARG 52 Ca -0.03 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1wfn s ARG 52 Cb -0.04 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1wfn s ARG 52 CO -0.01 -0.50 0.05 -1.50 -0.81 0.00 0.00 175.30 172.53 1wfn s ILE 53 N 1.70 4.37 -0.23 4.11 2.07 -0.72 0.11 121.20 132.61 1wfn s ILE 53 Ca 0.06 -0.78 -0.08 0.00 -1.41 0.00 0.00 60.65 58.44 1wfn s ILE 53 Cb -0.18 -3.07 0.11 0.00 0.13 0.00 0.00 42.46 39.44 1wfn s ILE 53 CO 0.10 0.17 0.49 -0.94 -1.91 0.00 0.00 174.94 172.85 1wfn s SER 54 N -2.22 -0.53 -0.21 4.50 1.04 0.16 -2.01 113.70 114.43 1wfn s SER 54 Ca 0.27 1.15 -0.06 0.00 0.48 0.00 0.00 55.95 57.79 1wfn s SER 54 Cb -0.12 1.64 -0.03 0.00 0.10 0.00 0.00 66.02 67.62 1wfn s SER 54 CO 0.19 -0.23 0.02 -1.66 0.98 0.00 0.00 173.24 172.54 1wfn s TRP 55 N 2.70 3.07 -0.07 5.02 -2.14 -1.26 0.19 118.94 126.45 1wfn s TRP 55 Ca -0.02 -0.41 -0.08 0.00 2.66 0.00 0.00 56.10 58.25 1wfn s TRP 55 Cb -0.12 -2.12 0.02 0.00 -3.10 0.00 0.00 33.47 28.14 1wfn s TRP 55 CO -0.15 -0.24 0.22 -1.83 -2.66 0.00 0.00 176.95 172.29 1wfn s GLU 56 N 1.11 0.31 0.98 3.25 -1.05 -0.61 -3.11 118.70 119.59 1wfn s GLU 56 Ca 0.03 0.19 -0.18 0.00 -0.15 0.00 0.00 54.97 54.86 1wfn s GLU 56 Cb -0.14 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1wfn s GLU 56 CO 0.02 -0.05 -0.37 0.39 0.95 0.00 0.00 175.26 176.20 1wfn n GLU 57 N 2.66 -1.15 0.04 -4.83 1.02 -1.25 0.39 120.64 117.52 1wfn n GLU 57 Ca -0.14 -0.33 -0.13 0.00 -0.02 0.00 0.00 57.16 56.53 1wfn n GLU 57 Cb 0.58 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.32 -2.16 -0.32 3.20 -1.68 -3.28 116.97 109.47 1wfn h TYR 58 Ca -0.35 0.04 -0.59 0.00 3.14 0.00 0.00 58.73 60.98 1wfn h TYR 58 Cb 1.04 0.58 -0.41 0.00 1.54 0.00 0.00 36.73 39.47 1wfn h TYR 58 CO -1.16 -0.47 -0.73 -1.71 -1.64 0.00 0.00 178.16 172.45 1wfn n ASN 59 N -4.95 2.80 -3.28 -2.11 5.15 -1.26 -4.91 115.26 106.71 1wfn n ASN 59 Ca -0.06 -3.24 -0.05 0.00 -0.60 0.00 0.00 54.58 50.62 1wfn n ASN 59 Cb 0.33 -0.66 -0.05 0.00 -0.53 0.00 0.00 39.78 38.86 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1wfn s ARG 60 N -2.11 0.43 0.00 1.20 0.52 -1.24 -4.99 118.95 112.77 1wfn s ARG 60 Ca 0.38 0.43 0.28 0.00 -0.52 0.00 0.00 55.73 56.31 1wfn s ARG 60 Cb 0.15 -0.17 1.15 0.00 0.52 0.00 0.00 34.95 36.61 1wfn s ARG 60 CO -0.04 -0.86 1.80 2.41 0.02 0.00 0.00 175.30 178.63 1wfn n THR 61 N 5.38 0.00 0.02 0.02 -1.04 -1.26 -3.50 114.28 113.89 1wfn n THR 61 Ca -0.00 -0.15 -0.10 0.00 -2.04 0.00 0.00 64.05 61.75 1wfn n THR 61 Cb 0.50 0.21 -0.13 0.00 -1.82 0.00 0.00 70.33 69.09 1wfn n THR 61 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1wfn h ASN 62 N 1.43 0.10 -0.47 8.00 -1.24 -1.99 -3.28 115.58 118.12 1wfn h ASN 62 Ca 0.00 -0.15 -0.20 0.00 0.71 0.00 0.00 56.30 56.66 1wfn h ASN 62 Cb 0.40 -0.03 -0.12 0.00 0.73 0.00 0.00 38.32 39.30 1wfn h ASN 62 CO 0.00 1.13 0.26 0.35 -1.29 0.00 0.00 177.43 177.87 1wfn n THR 63 N -3.24 2.00 -3.31 -3.57 -2.24 -1.23 -4.88 114.28 97.80 1wfn n THR 63 Ca -0.12 -0.95 -0.38 0.00 -2.27 0.00 0.00 64.05 60.33 1wfn n THR 63 Cb 1.02 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.82 4.34 0.26 -0.78 3.52 -1.24 -3.89 118.95 119.34 1wfn s ARG 64 Ca 0.30 0.45 0.08 0.00 -0.13 0.00 0.00 55.73 56.43 1wfn s ARG 64 Cb 0.25 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1wfn s ARG 64 CO 0.07 0.15 0.14 0.08 -0.81 0.00 0.00 175.30 174.93 1wfn s VAL 65 N 0.64 4.08 -0.15 7.11 1.01 -1.18 -4.96 120.40 126.96 1wfn s VAL 65 Ca 0.26 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1wfn s VAL 65 Cb -0.15 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1wfn s VAL 65 CO 0.10 -0.35 -0.06 -0.89 0.00 0.00 0.00 175.10 173.91 1wfn s THR 66 N -2.20 1.06 0.01 3.92 2.01 -1.26 -4.09 115.64 115.08 1wfn s THR 66 Ca 0.33 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1wfn s THR 66 Cb -0.07 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1wfn s THR 66 CO 0.23 0.22 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.26 1wfn s HIS 67 N 1.67 1.06 -0.30 4.92 3.76 -0.85 -5.01 115.29 120.53 1wfn s HIS 67 Ca 0.02 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1wfn s HIS 67 Cb -0.14 -0.66 0.08 0.00 1.11 0.00 0.00 32.58 32.97 1wfn s HIS 67 CO -0.08 -0.00 -0.00 0.71 -0.85 0.00 0.00 174.74 174.51 1wfn s TYR 68 N -0.49 3.31 0.31 1.40 2.02 -1.26 -1.75 117.35 120.88 1wfn s TYR 68 Ca 0.03 -2.57 0.04 0.00 -0.37 0.00 0.00 57.07 54.20 1wfn s TYR 68 Cb -0.06 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.09 1wfn s TYR 68 CO 0.00 -0.90 0.46 -0.51 -1.57 0.00 0.00 175.55 173.03 1wfn s LEU 69 N 1.07 4.10 1.04 -1.29 1.43 -0.18 -4.90 118.68 119.95 1wfn s LEU 69 Ca 0.03 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1wfn s LEU 69 Cb -0.19 -2.96 0.22 0.00 0.03 0.00 0.00 46.19 43.28 1wfn s LEU 69 CO -0.08 -0.28 1.20 -2.16 0.23 0.00 0.00 176.35 175.26 1wfn s PRO 70 N -4.16 0.06 -0.03 1.29 0.04 -1.26 -0.08 135.00 130.86 1wfn s PRO 70 Ca 0.40 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.35 1wfn s PRO 70 Cb -0.09 -1.75 0.14 0.00 0.04 0.00 0.00 34.50 32.84 1wfn s PRO 70 CO 0.32 -2.85 0.86 0.27 0.04 0.00 0.00 177.00 175.63 1wfn n ASN 71 N -4.14 1.49 -0.00 6.66 6.94 -1.15 -2.77 115.26 122.28 1wfn n ASN 71 Ca 0.12 -2.11 0.04 0.00 -0.02 0.00 0.00 54.58 52.61 1wfn n ASN 71 Cb 0.59 -0.38 -0.07 0.00 -2.36 0.00 0.00 39.78 37.56 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 0.04 0.00 -4.34 3.53 0.24 -1.26 -4.94 118.33 111.60 1wfn n VAL 72 Ca 0.05 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1wfn n VAL 72 Cb 0.32 0.37 -0.09 0.00 -1.47 0.00 0.00 33.84 32.96 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 -2.53 4.08 -0.00 3.34 2.01 -1.11 -4.98 115.64 116.45 1wfn s THR 73 Ca -0.03 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1wfn s THR 73 Cb 0.06 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.78 1wfn s THR 73 CO 0.36 0.42 0.61 0.18 -0.69 0.00 0.00 174.62 175.50 1wfn n LEU 74 N 1.55 0.27 -3.82 4.42 4.77 -1.26 -4.70 117.00 118.23 1wfn n LEU 74 Ca -0.15 -0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 55.34 1wfn n LEU 74 Cb 0.53 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1wfn n LEU 74 CO 0.32 0.09 -0.18 -1.83 -1.33 0.00 0.00 177.39 174.47 1wfn s GLU 75 N -0.16 0.25 -0.08 3.23 1.03 -1.26 0.27 118.70 121.99 1wfn s GLU 75 Ca 0.00 0.12 -0.11 0.00 0.03 0.00 0.00 54.97 55.01 1wfn s GLU 75 Cb 0.00 0.11 0.03 0.00 -0.80 0.00 0.00 34.13 33.47 1wfn s GLU 75 CO 0.00 -0.04 0.29 -0.47 -1.33 0.00 0.00 175.26 173.71 1wfn s TYR 76 N -0.17 -0.26 -0.06 4.83 6.14 0.12 -4.95 117.35 123.01 1wfn s TYR 76 Ca -0.03 0.58 -0.28 0.00 0.64 0.00 0.00 57.07 57.99 1wfn s TYR 76 Cb -0.02 0.10 -0.03 0.00 0.42 0.00 0.00 41.96 42.43 1wfn s TYR 76 CO 0.00 -0.24 0.89 0.50 0.64 0.00 0.00 175.55 177.35 1wfn s ARG 77 N -0.39 4.47 0.01 4.97 3.52 -1.26 0.25 118.95 130.52 1wfn s ARG 77 Ca -0.05 1.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.76 1wfn s ARG 77 Cb -0.03 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1wfn s ARG 77 CO 0.02 -0.10 0.14 0.08 -0.81 0.00 0.00 175.30 174.62 1wfn s VAL 78 N 1.28 5.08 -0.10 7.11 1.01 0.27 -4.94 120.40 130.11 1wfn s VAL 78 Ca 0.46 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 1wfn s VAL 78 Cb -0.19 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.87 1wfn s VAL 78 CO 0.22 0.30 0.58 0.42 0.00 0.00 0.00 175.10 176.62 1wfn s THR 79 N -1.30 0.01 0.00 3.92 -4.23 -1.26 -1.50 115.64 111.29 1wfn s THR 79 Ca 0.26 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1wfn s THR 79 Cb -0.12 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1wfn s THR 79 CO 0.18 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1wfn n GLY 80 N 1.59 1.25 0.00 3.99 0.00 -0.62 -5.01 105.19 106.38 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 -3.87 0.99 4.77 -1.03 -5.09 117.00 112.77 1wfn n LEU 81 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 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 -0.19 -0.89 -1.33 0.00 0.00 177.39 174.98 1wfn s THR 82 N 0.57 0.07 0.31 -5.08 2.01 -1.25 -4.86 115.64 107.41 1wfn s THR 82 Ca 0.00 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1wfn s THR 82 Cb 0.00 -0.39 -0.10 0.00 0.01 0.00 0.00 72.50 72.02 1wfn s THR 82 CO 0.00 -0.33 1.27 0.00 -0.69 0.00 0.00 174.62 174.87 1wfn s ALA 83 N -1.16 3.48 -1.21 7.40 0.00 -0.74 -3.30 121.76 126.23 1wfn s ALA 83 Ca -0.13 1.18 -0.34 0.00 0.00 0.00 0.00 51.96 52.67 1wfn s ALA 83 Cb -0.07 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1wfn s ALA 83 CO 0.01 -0.53 0.69 1.28 0.00 0.00 0.00 175.76 177.20 1wfn n LEU 84 N 1.02 -0.40 -4.02 0.00 4.77 -1.26 -4.95 117.00 112.17 1wfn n LEU 84 Ca 0.00 -1.29 -0.12 0.00 -0.03 0.00 0.00 56.01 54.57 1wfn n LEU 84 Cb 0.42 -1.67 -0.12 0.00 -2.33 0.00 0.00 43.42 39.73 1wfn n LEU 84 CO 0.58 0.80 -0.39 -0.89 -1.33 0.00 0.00 177.39 176.16 1wfn s THR 85 N -3.53 0.38 -0.08 -5.08 2.01 -1.21 -4.91 115.64 103.23 1wfn s THR 85 Ca 0.49 -0.85 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1wfn s THR 85 Cb -0.27 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1wfn s THR 85 CO 0.97 -0.32 0.70 -0.89 -0.69 0.00 0.00 174.62 174.39 1wfn s THR 86 N -1.14 5.04 0.06 -0.82 2.01 -1.26 0.18 115.64 119.70 1wfn s THR 86 Ca -0.09 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.37 1wfn s THR 86 Cb -0.08 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1wfn s THR 86 CO -0.00 0.24 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.76 1wfn s TYR 87 N 0.88 0.86 -0.22 4.92 1.51 0.31 -1.82 117.35 123.79 1wfn s TYR 87 Ca 0.37 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1wfn s TYR 87 Cb -0.18 -0.50 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 1wfn s TYR 87 CO 0.18 -0.04 -0.11 0.99 -1.11 0.00 0.00 175.55 175.46 1wfn s THR 88 N -1.52 1.83 -0.30 -0.71 2.01 0.16 0.20 115.64 117.31 1wfn s THR 88 Ca -0.06 -1.21 -0.19 0.00 0.31 0.00 0.00 61.69 60.54 1wfn s THR 88 Cb -0.09 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1wfn s THR 88 CO 0.01 0.11 0.54 -0.63 -0.69 0.00 0.00 174.62 173.97 1wfn s ILE 89 N 1.30 5.02 -0.31 1.82 -1.09 -0.73 -1.57 121.20 125.64 1wfn s ILE 89 Ca -0.03 0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 59.00 1wfn s ILE 89 Cb -0.17 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1wfn s ILE 89 CO -0.08 -0.05 0.21 -1.61 -1.23 0.00 0.00 174.94 172.18 1wfn s GLU 90 N 2.41 3.69 -0.23 2.79 8.01 0.50 -1.62 118.70 134.25 1wfn s GLU 90 Ca 0.22 -0.50 -0.05 0.00 0.01 0.00 0.00 54.97 54.65 1wfn s GLU 90 Cb -0.15 -3.72 -0.01 0.00 -4.31 0.00 0.00 34.13 25.94 1wfn s GLU 90 CO 0.11 -0.32 -0.01 0.08 0.01 0.00 0.00 175.26 175.12 1wfn s VAL 91 N 1.73 3.55 0.30 2.63 1.01 0.17 0.37 120.40 130.17 1wfn s VAL 91 Ca 0.06 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.67 1wfn s VAL 91 Cb -0.17 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1wfn s VAL 91 CO 0.10 0.37 -0.17 0.00 0.00 0.00 0.00 175.10 175.40 1wfn s ALA 92 N 1.50 2.80 0.25 5.51 0.00 0.30 0.10 121.76 132.23 1wfn s ALA 92 Ca 0.05 -1.94 0.06 0.00 0.00 0.00 0.00 51.96 50.14 1wfn s ALA 92 Cb -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1wfn s ALA 92 CO -0.02 0.22 0.26 0.00 0.00 0.00 0.00 175.76 176.23 1wfn s ALA 93 N -2.54 3.73 -0.02 0.00 0.00 -1.24 0.75 121.76 122.44 1wfn s ALA 93 Ca 0.31 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1wfn s ALA 93 Cb -0.03 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1wfn s ALA 93 CO 0.15 0.23 0.03 -1.64 0.00 0.00 0.00 175.76 174.53 1wfn s MET 94 N -3.91 -0.02 0.00 0.00 -1.94 0.12 -1.73 119.30 111.83 1wfn s MET 94 Ca 0.34 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 1wfn s MET 94 Cb -0.08 -0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.51 1wfn s MET 94 CO 0.27 -0.16 0.00 0.25 -0.01 0.00 0.00 175.02 175.37 1wfn n THR 95 N 4.11 0.00 1.98 2.05 -2.24 0.13 0.23 114.28 120.53 1wfn n THR 95 Ca -0.27 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1wfn n THR 95 Cb 0.51 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.32 1wfn n THR 95 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wfn n SER 96 N -0.32 0.00 -0.06 3.42 2.88 -1.25 -3.28 113.62 115.00 1wfn n SER 96 Ca 0.00 -1.36 -0.10 0.00 -1.33 0.00 0.00 58.87 56.08 1wfn n SER 96 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wfn n LYS 97 N -0.81 0.29 -0.72 -1.46 3.00 -1.26 -5.14 118.16 112.07 1wfn n LYS 97 Ca 0.15 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1wfn n LYS 97 Cb 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 33.92 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 2.76 -0.51 3.83 3.14 0.00 -1.21 -5.06 105.19 108.15 1wfn n GLY 98 Ca -0.22 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.84 3.23 0.00 1.61 0.74 -1.26 0.17 119.66 122.32 1wfn s GLN 99 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1wfn s GLN 99 Cb 0.00 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.14 1wfn s GLN 99 CO 0.00 0.67 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 1wfn n GLY 100 N 1.17 3.35 3.02 2.59 0.00 -0.70 -4.81 105.19 109.80 1wfn n GLY 100 Ca -0.13 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.79 -3.82 1.61 7.27 -0.86 -4.56 117.38 115.23 1wfn n GLN 101 Ca 0.00 -0.53 -0.12 0.00 0.07 0.00 0.00 57.00 56.42 1wfn n GLN 101 Cb 0.00 -1.42 -0.12 0.00 2.41 0.00 0.00 30.24 31.11 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 -2.08 0.00 -0.47 1.69 0.11 -1.26 -3.67 120.40 114.72 1wfn s VAL 102 Ca 0.35 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 1wfn s VAL 102 Cb -0.05 -0.23 0.10 0.00 -1.53 0.00 0.00 36.38 34.67 1wfn s VAL 102 CO 0.37 -0.00 0.37 -0.44 -3.33 0.00 0.00 175.10 172.07 1wfn s SER 103 N 0.06 5.89 -0.30 3.54 0.01 0.29 -4.83 113.70 118.36 1wfn s SER 103 Ca -0.00 -1.67 -0.12 0.00 1.31 0.00 0.00 55.95 55.47 1wfn s SER 103 Cb -0.01 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1wfn s SER 103 CO 0.00 -0.68 0.22 0.00 0.41 0.00 0.00 173.24 173.19 1wfn s ALA 104 N 1.49 3.52 -0.12 1.44 0.00 -1.25 -0.66 121.76 126.18 1wfn s ALA 104 Ca 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1wfn s ALA 104 Cb -0.26 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1wfn s ALA 104 CO 0.02 -0.72 -0.21 -1.12 0.00 0.00 0.00 175.76 173.73 1wfn s SER 105 N 1.74 3.25 0.11 0.00 0.01 -0.64 -4.91 113.70 113.28 1wfn s SER 105 Ca 0.07 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1wfn s SER 105 Cb -0.17 -1.46 -0.06 0.00 0.21 0.00 0.00 66.02 64.54 1wfn s SER 105 CO 0.11 0.12 1.05 -0.89 0.41 0.00 0.00 173.24 174.04 1wfn s THR 106 N 0.58 4.24 -0.11 1.44 2.01 -1.26 -1.77 115.64 120.78 1wfn s THR 106 Ca -0.12 1.81 -0.07 0.00 0.31 0.00 0.00 61.69 63.62 1wfn s THR 106 Cb -0.17 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.23 1wfn s THR 106 CO 0.03 0.25 0.26 -0.51 -0.69 0.00 0.00 174.62 173.97 1wfn s ILE 107 N 0.19 -0.03 -0.28 1.82 1.10 0.53 -4.74 121.20 119.79 1wfn s ILE 107 Ca 0.50 0.09 -0.11 0.00 -0.51 0.00 0.00 60.65 60.63 1wfn s ILE 107 Cb -0.26 -0.39 -0.05 0.00 0.15 0.00 0.00 42.46 41.91 1wfn s ILE 107 CO 0.31 0.04 0.18 -0.55 -2.11 0.00 0.00 174.94 172.81 1wfn s SER 108 N 0.89 5.93 0.36 4.50 0.15 -1.26 0.11 113.70 124.38 1wfn s SER 108 Ca -0.06 -0.06 -0.20 0.00 0.70 0.00 0.00 55.95 56.32 1wfn s SER 108 Cb -0.07 -2.10 -0.15 0.00 -1.71 0.00 0.00 66.02 61.99 1wfn s SER 108 CO -0.06 -0.06 0.11 -1.54 1.20 0.00 0.00 173.24 172.89 1wfn n SER 109 N 5.05 -2.54 0.00 5.45 3.41 0.13 -4.84 113.62 120.27 1wfn n SER 109 Ca -0.14 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1wfn n SER 109 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 2.14 -2.36 3.64 5.00 0.00 0.55 -4.18 105.19 109.99 1wfn n GLY 110 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.01 1.61 0.11 0.16 -4.44 120.40 117.83 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 -0.14 4.39 0.39 1.54 0.04 -1.26 -3.88 135.00 136.08 1wfn s PRO 112 Ca 0.07 1.70 0.21 0.00 0.04 0.00 0.00 61.00 63.02 1wfn s PRO 112 Cb -0.04 -3.48 0.61 0.00 0.04 0.00 0.00 34.50 31.62 1wfn s PRO 112 CO -0.12 -0.37 1.69 -1.00 0.04 0.00 0.00 177.00 177.24 1wfn h PRO 113 N 7.23 0.00 -6.59 0.56 0.13 -2.01 -3.48 132.00 127.84 1wfn h PRO 113 Ca -0.37 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.32 1wfn h PRO 113 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wfn h PRO 113 CO 0.85 0.28 -1.14 0.45 -0.23 0.00 0.00 178.00 178.21 1wfn n SER 114 N -3.30 -4.95 -2.04 1.44 2.88 -1.26 -4.16 113.62 102.22 1wfn n SER 114 Ca 0.01 -0.58 -0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1wfn n SER 114 Cb 0.53 -1.54 -0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1wfn n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfn n GLY 115 N -0.93 -3.57 3.70 0.46 0.00 -1.26 -4.96 105.19 98.64 1wfn n GLY 115 Ca -0.21 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.75 4.40 -0.04 1.61 0.04 -1.26 -4.90 135.00 134.10 1wfn s PRO 116 Ca -0.02 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 1wfn s PRO 116 Cb 0.00 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 1wfn s PRO 116 CO 0.36 -0.34 -0.06 0.43 0.04 0.00 0.00 177.00 177.43 1wfn n SER 117 N 4.56 0.49 0.48 6.66 7.64 -1.26 -4.80 113.62 127.39 1wfn n SER 117 Ca 0.10 0.05 -0.20 0.00 1.01 0.00 0.00 58.87 59.83 1wfn n SER 117 Cb 0.46 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 1wfn n SER 117 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfn h SER 118 N -0.15 -1.03 0.00 6.43 0.02 -2.01 -3.57 113.55 113.25 1wfn h SER 118 Ca -0.11 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1wfn h SER 118 Cb 1.10 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1wfn h SER 118 CO -0.06 -0.72 0.00 0.61 -1.14 0.00 0.00 176.83 175.51