#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 7.17 -0.36 1.61 1.04 -1.26 -4.97 113.70 116.93 1wfn s SER 2 Ca 0.00 1.69 0.05 0.00 0.48 0.00 0.00 55.95 58.16 1wfn s SER 2 Cb 0.00 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.75 1wfn s SER 2 CO 0.00 -0.48 0.68 -0.44 0.98 0.00 0.00 173.24 173.98 1wfn s SER 3 N 1.23 -1.40 1.48 7.02 0.01 -1.26 -5.12 113.70 115.67 1wfn s SER 3 Ca 0.52 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1wfn s SER 3 Cb -0.22 1.81 0.00 0.00 0.21 0.00 0.00 66.02 67.82 1wfn s SER 3 CO 0.21 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1wfn n GLY 4 N 4.73 3.17 3.64 3.44 0.00 -1.26 -4.79 105.19 114.12 1wfn n GLY 4 Ca 0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1wfn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfn s SER 5 N -4.00 -0.59 0.00 1.61 1.04 -1.26 -5.17 113.70 105.33 1wfn s SER 5 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1wfn s SER 5 Cb 0.00 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.26 1wfn s SER 5 CO 0.00 -0.17 0.00 -1.54 0.98 0.00 0.00 173.24 172.51 1wfn n SER 6 N 3.12 0.00 0.00 7.02 3.41 -1.26 -5.18 113.62 120.72 1wfn n SER 6 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1wfn n SER 6 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1wfn n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 7 N -0.03 2.98 0.12 5.00 0.00 -1.26 -4.95 105.19 107.06 1wfn n GLY 7 Ca 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 1wfn n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfn h PRO 8 N 0.00 -0.16 -6.44 1.61 0.13 -2.07 -3.46 132.00 121.61 1wfn h PRO 8 Ca 0.00 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.58 1wfn h PRO 8 Cb 0.00 0.04 0.20 0.00 0.13 0.00 0.00 31.00 31.37 1wfn h PRO 8 CO 0.00 0.29 -0.85 0.00 -0.23 0.00 0.00 178.00 177.20 1wfn n GLN 9 N -4.86 0.08 -3.85 0.86 0.00 -1.26 -4.95 117.38 103.40 1wfn n GLN 9 Ca -0.07 0.06 -0.30 0.00 0.00 0.00 0.00 57.00 56.69 1wfn n GLN 9 Cb 0.26 -1.53 -0.14 0.00 0.00 0.00 0.00 30.24 28.83 1wfn n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1wfn s LEU 10 N 2.15 3.60 -0.17 2.61 1.43 -1.26 -4.93 118.68 122.10 1wfn s LEU 10 Ca 0.57 -2.80 -0.08 0.00 -1.03 0.00 0.00 54.13 50.79 1wfn s LEU 10 Cb -0.31 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1wfn s LEU 10 CO 0.66 -0.25 0.17 0.52 0.23 0.00 0.00 176.35 177.67 1wfn n VAL 11 N 3.36-10.95 -3.53 -1.59 0.31 -1.26 -5.07 118.33 99.60 1wfn n VAL 11 Ca 0.06 2.13 -0.05 0.00 -0.01 0.00 0.00 64.34 66.47 1wfn n VAL 11 Cb 0.33 -6.09 -0.07 0.00 -0.91 0.00 0.00 33.84 27.11 1wfn n VAL 11 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wfn s ARG 12 N -0.86 0.42 0.08 5.55 3.00 -1.26 -5.16 118.95 120.72 1wfn s ARG 12 Ca -0.19 1.03 0.04 0.00 0.00 0.00 0.00 55.73 56.60 1wfn s ARG 12 Cb 0.01 0.32 -0.03 0.00 0.00 0.00 0.00 34.95 35.25 1wfn s ARG 12 CO 0.65 -0.37 -0.10 -0.08 0.00 0.00 0.00 175.30 175.40 1wfn s THR 13 N 2.70 0.91 -0.17 0.02 -1.32 -1.26 -5.15 115.64 111.37 1wfn s THR 13 Ca 0.03 -1.49 -0.35 0.00 -1.21 0.00 0.00 61.69 58.68 1wfn s THR 13 Cb -0.13 -1.19 0.15 0.00 -1.51 0.00 0.00 72.50 69.82 1wfn s THR 13 CO -0.16 -0.47 1.40 -2.28 -2.21 0.00 0.00 174.62 170.90 1wfn s HIS 14 N -2.06 -0.01 0.49 9.09 2.46 -1.26 -5.16 115.29 118.84 1wfn s HIS 14 Ca 0.02 -0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.54 1wfn s HIS 14 Cb -0.05 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 1wfn s HIS 14 CO 0.00 -0.04 0.00 0.39 -2.47 0.00 0.00 174.74 172.63 1wfn n GLU 15 N -0.30 -3.78 -0.01 2.88 4.71 -1.26 -4.85 120.64 118.03 1wfn n GLU 15 Ca -0.04 2.88 -0.20 0.00 -0.01 0.00 0.00 57.16 59.80 1wfn n GLU 15 Cb 0.61 -3.45 -0.14 0.00 -1.01 0.00 0.00 31.44 27.46 1wfn n GLU 15 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1wfn h ASP 16 N 0.69 0.28 -2.86 1.62 1.82 -1.99 -3.47 116.42 112.52 1wfn h ASP 16 Ca 0.00 -0.86 -0.50 0.00 -0.39 0.00 0.00 57.03 55.28 1wfn h ASP 16 Cb 0.49 -0.09 0.23 0.00 0.68 0.00 0.00 39.33 40.63 1wfn h ASP 16 CO 0.00 1.43 -0.86 1.33 -1.61 0.00 0.00 179.24 179.53 1wfn n VAL 17 N -4.17 0.00 -1.51 2.25 0.24 -1.26 -4.74 118.33 109.14 1wfn n VAL 17 Ca -0.20 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 1wfn n VAL 17 Cb 0.77 -0.59 0.23 0.00 -1.47 0.00 0.00 33.84 32.78 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 -3.49 -0.59 0.00 7.34 0.04 -1.25 -4.81 135.00 132.24 1wfn s PRO 18 Ca 0.56 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1wfn s PRO 18 Cb -0.17 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wfn s PRO 18 CO 0.67 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1wfn n GLY 19 N -2.42 1.42 3.71 0.56 0.00 -1.12 -2.18 105.19 105.16 1wfn n GLY 19 Ca 0.16 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 2.57 4.44 0.70 1.61 0.04 -1.26 -3.43 135.00 139.66 1wfn s PRO 20 Ca 0.00 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1wfn s PRO 20 Cb 0.00 -3.39 0.16 0.00 0.04 0.00 0.00 34.50 31.31 1wfn s PRO 20 CO 0.00 -0.26 0.35 1.33 0.04 0.00 0.00 177.00 178.46 1wfn n VAL 21 N 4.02 0.00 0.00 -0.36 0.24 -1.26 -4.43 118.33 116.54 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 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 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 -1.82 -3.08 3.70 7.63 0.00 0.16 -4.71 105.19 107.08 1wfn n GLY 22 Ca 0.06 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.44 3.60 0.35 1.61 -3.43 -1.26 -4.53 115.29 111.19 1wfn s HIS 23 Ca 0.00 1.63 -0.28 0.00 -0.80 0.00 0.00 55.06 55.60 1wfn s HIS 23 Cb 0.00 -3.12 -0.12 0.00 -1.43 0.00 0.00 32.58 27.91 1wfn s HIS 23 CO 0.00 -0.08 1.43 1.28 -2.00 0.00 0.00 174.74 175.37 1wfn n LEU 24 N 4.30 4.29 -3.97 5.38 7.99 -1.26 -4.46 117.00 129.27 1wfn n LEU 24 Ca 0.06 1.21 -0.10 0.00 -0.01 0.00 0.00 56.01 57.17 1wfn n LEU 24 Cb 0.50 -1.57 -0.12 0.00 -0.11 0.00 0.00 43.42 42.13 1wfn n LEU 24 CO 0.52 -0.07 -0.37 -0.55 -1.51 0.00 0.00 177.39 175.41 1wfn s SER 25 N -0.10 0.30 -0.03 -1.43 0.15 0.13 -4.99 113.70 107.72 1wfn s SER 25 Ca 0.56 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1wfn s SER 25 Cb -0.51 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 63.89 1wfn s SER 25 CO 0.61 -0.23 0.01 -0.36 1.20 0.00 0.00 173.24 174.47 1wfn s PHE 26 N -1.18 0.31 0.29 3.44 0.08 -1.26 -0.48 117.98 119.17 1wfn s PHE 26 Ca -0.12 0.01 0.02 0.00 0.12 0.00 0.00 56.93 56.96 1wfn s PHE 26 Cb -0.08 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1wfn s PHE 26 CO -0.01 -0.14 0.13 -1.12 -0.10 0.00 0.00 175.22 173.98 1wfn s SER 27 N 1.16 1.41 -1.43 1.36 0.01 -0.44 -4.87 113.70 110.90 1wfn s SER 27 Ca -0.08 -1.49 -0.13 0.00 1.31 0.00 0.00 55.95 55.56 1wfn s SER 27 Cb -0.13 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.42 1wfn s SER 27 CO -0.02 -0.83 0.26 -0.62 0.41 0.00 0.00 173.24 172.44 1wfn n GLU 28 N -0.54 -0.76 -3.06 12.44 -0.58 -1.26 -0.94 120.64 125.94 1wfn n GLU 28 Ca 0.00 0.09 -0.40 0.00 -0.42 0.00 0.00 57.16 56.44 1wfn n GLU 28 Cb 0.65 -3.22 -0.05 0.00 -0.57 0.00 0.00 31.44 28.25 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 -4.07 4.81 0.00 -3.67 1.01 -1.26 -3.96 121.20 114.06 1wfn s ILE 29 Ca 0.18 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1wfn s ILE 29 Cb -0.10 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1wfn s ILE 29 CO 0.99 0.37 0.00 0.18 0.00 0.00 0.00 174.94 176.48 1wfn n LEU 30 N 2.86 0.00 -0.04 2.97 7.99 0.25 -4.54 117.00 126.49 1wfn n LEU 30 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.92 1wfn n LEU 30 Cb 0.51 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.75 1wfn n LEU 30 CO 0.46 0.00 -0.77 -0.90 -1.51 0.00 0.00 177.39 174.67 1wfn n ASP 31 N 0.00 2.97 -0.36 -1.43 5.75 -1.25 0.20 116.55 122.43 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 0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 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 -2.33 0.00 -3.75 2.12 -2.24 -1.26 -1.69 114.28 105.13 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 0.77 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.52 -0.16 -0.00 3.42 1.04 -1.26 -2.01 113.70 114.21 1wfn s SER 33 Ca 0.00 0.37 -0.16 0.00 0.48 0.00 0.00 55.95 56.64 1wfn s SER 33 Cb 0.00 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1wfn s SER 33 CO 0.00 -0.15 0.35 -1.48 0.98 0.00 0.00 173.24 172.94 1wfn s LEU 34 N 1.13 0.70 -0.19 2.42 0.05 -0.65 0.88 118.68 123.01 1wfn s LEU 34 Ca -0.09 0.07 -0.15 0.00 0.05 0.00 0.00 54.13 54.02 1wfn s LEU 34 Cb -0.11 1.43 -0.04 0.00 -2.05 0.00 0.00 46.19 45.42 1wfn s LEU 34 CO -0.06 -0.51 0.33 -0.75 -0.55 0.00 0.00 176.35 174.81 1wfn s LYS 35 N -1.66 4.19 -0.12 1.48 2.20 -0.12 0.12 119.74 125.83 1wfn s LYS 35 Ca -0.11 0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.52 1wfn s LYS 35 Cb -0.04 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1wfn s LYS 35 CO 0.03 0.06 0.17 0.08 -0.36 0.00 0.00 175.35 175.33 1wfn s VAL 36 N 1.03 5.44 0.01 4.02 1.01 0.52 -1.33 120.40 131.09 1wfn s VAL 36 Ca 0.17 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1wfn s VAL 36 Cb -0.14 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1wfn s VAL 36 CO 0.06 0.58 -0.03 -0.94 0.00 0.00 0.00 175.10 174.77 1wfn s SER 37 N -0.73 0.30 0.32 3.32 1.04 0.36 0.80 113.70 119.11 1wfn s SER 37 Ca 0.15 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 1wfn s SER 37 Cb -0.12 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 1wfn s SER 37 CO 0.04 -0.05 0.45 -1.66 0.98 0.00 0.00 173.24 173.00 1wfn s TRP 38 N -0.41 0.94 0.42 5.02 -2.14 0.29 0.19 118.94 123.26 1wfn s TRP 38 Ca -0.03 -1.20 0.02 0.00 2.66 0.00 0.00 56.10 57.55 1wfn s TRP 38 Cb -0.03 -0.06 -0.01 0.00 -3.10 0.00 0.00 33.47 30.27 1wfn s TRP 38 CO -0.00 -1.08 0.07 1.04 -2.66 0.00 0.00 176.95 174.32 1wfn n GLN 39 N -0.51 0.74 -2.71 3.25 6.02 -1.26 -4.67 117.38 118.23 1wfn n GLN 39 Ca 0.00 -3.29 -0.37 0.00 -0.01 0.00 0.00 57.00 53.33 1wfn n GLN 39 Cb 0.62 1.33 -0.06 0.00 1.02 0.00 0.00 30.24 33.15 1wfn n GLN 39 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wfn s GLU 40 N -3.55 4.53 0.55 -1.09 2.02 -1.26 0.39 118.70 120.28 1wfn s GLU 40 Ca 0.10 1.41 -0.17 0.00 0.02 0.00 0.00 54.97 56.32 1wfn s GLU 40 Cb 0.00 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.37 1wfn s GLU 40 CO 0.07 0.21 1.04 -1.25 0.02 0.00 0.00 175.26 175.35 1wfn s PRO 41 N -2.04 3.53 0.40 0.39 0.04 -1.26 -3.86 135.00 132.20 1wfn s PRO 41 Ca 0.51 1.23 0.22 0.00 0.04 0.00 0.00 61.00 63.00 1wfn s PRO 41 Cb -0.21 -2.06 0.29 0.00 0.04 0.00 0.00 34.50 32.56 1wfn s PRO 41 CO 0.26 -0.64 1.54 0.78 0.04 0.00 0.00 177.00 178.98 1wfn h GLY 42 N 0.84 0.00 -4.33 0.56 0.00 -1.92 -3.27 103.07 94.95 1wfn h GLY 42 Ca -0.48 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.18 1wfn h GLY 42 CO 0.58 0.00 0.40 -1.84 0.00 0.00 0.00 176.54 175.68 1wfn n GLU 43 N -3.07 2.98 -0.33 4.80 0.00 -1.26 -3.59 120.64 120.17 1wfn n GLU 43 Ca 0.03 -3.69 0.32 0.00 0.00 0.00 0.00 57.16 53.82 1wfn n GLU 43 Cb 0.55 -2.28 0.58 0.00 0.00 0.00 0.00 31.44 30.30 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1wfn h LYS 44 N 2.42 0.03 -1.02 3.44 1.57 -1.94 -2.97 116.57 118.09 1wfn h LYS 44 Ca 0.51 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 59.02 1wfn h LYS 44 Cb 0.72 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.92 1wfn h LYS 44 CO 1.29 0.02 -0.25 0.09 -0.57 0.00 0.00 179.45 180.03 1wfn n ASN 45 N -5.22 -4.30 0.00 0.86 3.02 -1.26 -3.81 115.26 104.55 1wfn n ASN 45 Ca 0.38 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 1wfn n ASN 45 Cb 1.28 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 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 -0.12 -0.21 3.23 7.41 0.00 -1.26 -4.89 105.19 109.35 1wfn n GLY 46 Ca -0.13 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 2.13 0.10 -0.61 -1.09 -1.26 -5.11 121.20 111.36 1wfn s ILE 47 Ca 0.00 -1.00 -0.30 0.00 -2.23 0.00 0.00 60.65 57.13 1wfn s ILE 47 Cb 0.00 -1.81 -0.06 0.00 -1.58 0.00 0.00 42.46 39.01 1wfn s ILE 47 CO 0.00 0.56 0.96 -0.76 -1.23 0.00 0.00 174.94 174.46 1wfn s LEU 48 N 0.34 4.49 0.00 2.97 2.01 -1.26 -4.19 118.68 123.03 1wfn s LEU 48 Ca -0.18 1.77 0.18 0.00 0.01 0.00 0.00 54.13 55.91 1wfn s LEU 48 Cb -0.18 -3.57 0.16 0.00 0.01 0.00 0.00 46.19 42.61 1wfn s LEU 48 CO 0.09 -0.08 1.08 0.35 1.01 0.00 0.00 176.35 178.80 1wfn n THR 49 N 2.87 0.05 -0.59 5.49 -2.24 0.84 -4.54 114.28 116.17 1wfn n THR 49 Ca 0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1wfn n THR 49 Cb 0.49 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 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 1.00 -2.29 2.79 3.38 0.00 -1.11 -3.55 105.19 105.42 1wfn n GLY 50 Ca 0.11 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.16 0.17 -0.37 1.61 2.02 -0.11 0.57 117.35 119.08 1wfn s TYR 51 Ca 0.00 0.06 -0.19 0.00 -0.37 0.00 0.00 57.07 56.58 1wfn s TYR 51 Cb 0.00 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.24 1wfn s TYR 51 CO 0.00 -0.11 0.56 0.50 -1.57 0.00 0.00 175.55 174.93 1wfn s ARG 52 N 1.04 3.57 0.01 -0.62 3.52 0.69 -2.16 118.95 125.00 1wfn s ARG 52 Ca -0.10 -0.16 -0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1wfn s ARG 52 Cb -0.13 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 1wfn s ARG 52 CO -0.02 -0.72 0.11 -1.50 -0.81 0.00 0.00 175.30 172.35 1wfn s ILE 53 N 2.52 4.86 -0.25 4.11 2.07 -1.05 -0.42 121.20 133.04 1wfn s ILE 53 Ca 0.20 -0.42 -0.03 0.00 -1.41 0.00 0.00 60.65 59.00 1wfn s ILE 53 Cb -0.15 -3.26 0.14 0.00 0.13 0.00 0.00 42.46 39.32 1wfn s ILE 53 CO 0.14 0.30 0.40 -0.44 -1.91 0.00 0.00 174.94 173.44 1wfn s SER 54 N -1.91 0.05 -0.03 4.50 0.01 0.69 -2.12 113.70 114.89 1wfn s SER 54 Ca 0.25 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.79 1wfn s SER 54 Cb -0.12 1.24 -0.04 0.00 0.21 0.00 0.00 66.02 67.31 1wfn s SER 54 CO 0.17 -0.30 0.13 -1.66 0.41 0.00 0.00 173.24 171.99 1wfn s TRP 55 N 2.58 3.45 0.06 2.43 -2.14 -1.26 -0.05 118.94 124.02 1wfn s TRP 55 Ca 0.14 0.33 -0.26 0.00 2.66 0.00 0.00 56.10 58.96 1wfn s TRP 55 Cb -0.15 -1.82 0.09 0.00 -3.10 0.00 0.00 33.47 28.49 1wfn s TRP 55 CO -0.16 0.62 0.76 -1.83 -2.66 0.00 0.00 176.95 173.68 1wfn s GLU 56 N -1.65 1.02 0.06 3.25 -1.05 -0.69 -2.05 118.70 117.58 1wfn s GLU 56 Ca 0.23 -0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 54.68 1wfn s GLU 56 Cb -0.12 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1wfn s GLU 56 CO 0.14 -0.44 0.03 0.39 0.95 0.00 0.00 175.26 176.32 1wfn n GLU 57 N -0.26 -1.10 0.24 -4.83 1.02 -1.26 0.20 120.64 114.65 1wfn n GLU 57 Ca -0.13 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.86 1wfn n GLU 57 Cb 0.63 -0.08 -0.05 0.00 -0.02 0.00 0.00 31.44 31.92 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 -1.82 -0.61 -2.16 -0.32 3.20 -0.83 -2.97 116.97 111.47 1wfn h TYR 58 Ca -0.01 -0.01 -0.59 0.00 3.14 0.00 0.00 58.73 61.25 1wfn h TYR 58 Cb 0.05 0.20 -0.41 0.00 1.54 0.00 0.00 36.73 38.10 1wfn h TYR 58 CO 0.00 -0.38 -0.71 -1.71 -1.64 0.00 0.00 178.16 173.73 1wfn n ASN 59 N -4.74 3.10 -3.38 -2.11 2.85 -1.26 -4.81 115.26 104.91 1wfn n ASN 59 Ca -0.08 -3.32 -0.02 0.00 -0.11 0.00 0.00 54.58 51.05 1wfn n ASN 59 Cb 0.26 -0.65 -0.04 0.00 1.24 0.00 0.00 39.78 40.58 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 -2.33 0.49 0.14 1.20 0.52 -1.26 -5.01 118.95 112.70 1wfn s ARG 60 Ca 0.40 1.01 0.19 0.00 -0.52 0.00 0.00 55.73 56.81 1wfn s ARG 60 Cb 0.17 0.37 -0.06 0.00 0.52 0.00 0.00 34.95 35.96 1wfn s ARG 60 CO -0.04 -0.48 0.97 1.15 0.02 0.00 0.00 175.30 176.92 1wfn h THR 61 N 6.06 0.30 0.00 0.02 2.02 -1.94 -3.28 112.91 116.09 1wfn h THR 61 Ca -0.20 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1wfn h THR 61 Cb 1.14 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1wfn h THR 61 CO 0.21 0.17 0.00 -0.55 0.37 0.00 0.00 175.52 175.72 1wfn h ASN 62 N 0.00 0.00 -0.92 4.18 7.08 -2.01 -2.30 115.58 121.61 1wfn h ASN 62 Ca -0.08 0.00 -0.63 0.00 -3.08 0.00 0.00 56.30 52.51 1wfn h ASN 62 Cb 1.32 0.00 -0.32 0.00 -2.08 0.00 0.00 38.32 37.24 1wfn h ASN 62 CO 0.03 0.00 0.42 0.35 -2.08 0.00 0.00 177.43 176.14 1wfn n THR 63 N -2.57 3.31 -4.01 6.14 -2.24 -1.24 -4.97 114.28 108.71 1wfn n THR 63 Ca 0.01 -3.20 -0.36 0.00 -2.27 0.00 0.00 64.05 58.23 1wfn n THR 63 Cb 0.21 -1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.73 3.31 0.27 -0.78 3.52 -0.87 -3.76 118.95 116.91 1wfn s ARG 64 Ca 0.61 -0.24 0.09 0.00 -0.13 0.00 0.00 55.73 56.06 1wfn s ARG 64 Cb 0.48 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 1wfn s ARG 64 CO 0.01 0.74 0.02 0.08 -0.81 0.00 0.00 175.30 175.34 1wfn s VAL 65 N -1.05 3.44 -0.29 7.11 1.01 -0.87 -4.96 120.40 124.79 1wfn s VAL 65 Ca 0.17 -1.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.25 1wfn s VAL 65 Cb -0.12 -2.88 0.10 0.00 0.00 0.00 0.00 36.38 33.48 1wfn s VAL 65 CO 0.06 -0.35 0.11 -0.89 0.00 0.00 0.00 175.10 174.02 1wfn s THR 66 N -2.33 0.43 0.21 3.92 2.01 -1.26 -4.13 115.64 114.49 1wfn s THR 66 Ca 0.32 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.39 1wfn s THR 66 Cb -0.06 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1wfn s THR 66 CO 0.20 -0.65 -0.15 -1.00 -0.69 0.00 0.00 174.62 172.33 1wfn s HIS 67 N 1.85 2.47 -0.07 4.92 3.76 -0.90 -5.02 115.29 122.30 1wfn s HIS 67 Ca 0.08 -0.29 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 1wfn s HIS 67 Cb -0.17 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1wfn s HIS 67 CO -0.28 0.55 -0.18 0.71 -0.85 0.00 0.00 174.74 174.68 1wfn s TYR 68 N -1.86 1.96 0.19 1.40 2.02 -1.26 -2.53 117.35 117.27 1wfn s TYR 68 Ca 0.25 -0.71 0.07 0.00 -0.37 0.00 0.00 57.07 56.30 1wfn s TYR 68 Cb -0.08 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1wfn s TYR 68 CO 0.14 -0.29 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.19 1wfn s LEU 69 N 0.33 2.53 1.04 -1.29 1.43 -0.92 -4.98 118.68 116.83 1wfn s LEU 69 Ca -0.12 -1.04 -0.16 0.00 -1.03 0.00 0.00 54.13 51.78 1wfn s LEU 69 Cb -0.15 -0.56 0.21 0.00 0.03 0.00 0.00 46.19 45.72 1wfn s LEU 69 CO 0.05 -0.24 1.20 -2.16 0.23 0.00 0.00 176.35 175.43 1wfn s PRO 70 N -3.69 0.10 -0.07 1.29 0.04 -1.26 -0.93 135.00 130.48 1wfn s PRO 70 Ca 0.21 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.18 1wfn s PRO 70 Cb 0.01 -1.75 0.21 0.00 0.04 0.00 0.00 34.50 33.01 1wfn s PRO 70 CO 0.05 -2.83 0.87 0.27 0.04 0.00 0.00 177.00 175.41 1wfn n ASN 71 N -4.12 2.34 -0.01 6.66 6.94 -1.23 -2.98 115.26 122.86 1wfn n ASN 71 Ca 0.12 -2.26 0.01 0.00 -0.02 0.00 0.00 54.58 52.43 1wfn n ASN 71 Cb 0.59 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.16 0.07 -4.03 3.53 0.24 -1.26 -4.91 118.33 112.12 1wfn n VAL 72 Ca 0.08 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.34 61.92 1wfn n VAL 72 Cb 0.53 0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.91 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 -2.26 5.03 -0.00 3.34 2.01 -1.16 -4.97 115.64 117.62 1wfn s THR 73 Ca -0.02 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1wfn s THR 73 Cb 0.03 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1wfn s THR 73 CO 0.19 0.43 0.65 0.18 -0.69 0.00 0.00 174.62 175.38 1wfn n LEU 74 N 1.40 0.28 -3.85 4.42 4.77 -1.26 -4.74 117.00 118.02 1wfn n LEU 74 Ca -0.15 -0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 55.25 1wfn n LEU 74 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 74 CO 0.37 0.12 -0.16 -1.83 -1.33 0.00 0.00 177.39 174.55 1wfn s GLU 75 N -0.19 0.40 0.03 3.23 1.03 -1.26 0.11 118.70 122.06 1wfn s GLU 75 Ca 0.01 -0.18 -0.17 0.00 0.03 0.00 0.00 54.97 54.65 1wfn s GLU 75 Cb 0.01 0.17 0.03 0.00 -0.80 0.00 0.00 34.13 33.54 1wfn s GLU 75 CO 0.00 -0.09 0.39 -0.47 -1.33 0.00 0.00 175.26 173.76 1wfn s TYR 76 N -0.90 -0.24 -0.23 4.83 6.14 0.24 -4.95 117.35 122.23 1wfn s TYR 76 Ca -0.10 0.23 -0.18 0.00 0.64 0.00 0.00 57.07 57.66 1wfn s TYR 76 Cb -0.05 0.19 -0.03 0.00 0.42 0.00 0.00 41.96 42.48 1wfn s TYR 76 CO 0.01 -0.53 0.53 0.50 0.64 0.00 0.00 175.55 176.70 1wfn s ARG 77 N -2.25 4.13 0.09 4.97 3.52 -1.26 0.19 118.95 128.34 1wfn s ARG 77 Ca -0.07 0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 55.81 1wfn s ARG 77 Cb -0.01 -3.61 -0.06 0.00 -1.56 0.00 0.00 34.95 29.71 1wfn s ARG 77 CO -0.01 -0.26 0.43 0.08 -0.81 0.00 0.00 175.30 174.72 1wfn s VAL 78 N 2.02 5.05 -0.07 7.11 1.01 0.32 -4.95 120.40 130.90 1wfn s VAL 78 Ca 0.23 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1wfn s VAL 78 Cb -0.15 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1wfn s VAL 78 CO 0.09 0.28 0.43 0.42 0.00 0.00 0.00 175.10 176.32 1wfn s THR 79 N -1.41 0.03 0.00 3.92 -4.23 -1.26 -1.64 115.64 111.05 1wfn s THR 79 Ca 0.34 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1wfn s THR 79 Cb -0.14 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1wfn s THR 79 CO 0.18 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1wfn n GLY 80 N 1.66 1.44 0.00 3.99 0.00 -0.85 -5.02 105.19 106.40 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 -3.91 0.99 4.77 -1.07 -5.09 117.00 112.69 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 -0.23 -0.89 -1.33 0.00 0.00 177.39 174.94 1wfn s THR 82 N 1.33 0.10 0.28 -5.08 2.01 -1.25 -4.85 115.64 108.18 1wfn s THR 82 Ca 0.00 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 1wfn s THR 82 Cb 0.00 -0.46 -0.10 0.00 0.01 0.00 0.00 72.50 71.95 1wfn s THR 82 CO 0.00 -0.45 1.25 0.00 -0.69 0.00 0.00 174.62 174.73 1wfn s ALA 83 N -1.60 3.48 -1.25 7.40 0.00 -0.68 -3.31 121.76 125.79 1wfn s ALA 83 Ca -0.14 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1wfn s ALA 83 Cb -0.07 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1wfn s ALA 83 CO 0.00 -0.47 0.61 1.28 0.00 0.00 0.00 175.76 177.17 1wfn n LEU 84 N 1.41 -0.69 -3.97 0.00 4.77 -1.25 -4.95 117.00 112.31 1wfn n LEU 84 Ca 0.01 -1.26 -0.13 0.00 -0.03 0.00 0.00 56.01 54.60 1wfn n LEU 84 Cb 0.43 -1.73 -0.13 0.00 -2.33 0.00 0.00 43.42 39.66 1wfn n LEU 84 CO 0.57 0.72 -0.39 -0.89 -1.33 0.00 0.00 177.39 176.08 1wfn s THR 85 N -3.64 0.33 -0.04 -5.08 2.01 -1.21 -4.90 115.64 103.12 1wfn s THR 85 Ca 0.42 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 1wfn s THR 85 Cb -0.22 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1wfn s THR 85 CO 0.96 -0.12 0.92 -0.89 -0.69 0.00 0.00 174.62 174.80 1wfn s THR 86 N -0.62 4.89 0.04 -0.82 2.01 -1.26 -0.22 115.64 119.66 1wfn s THR 86 Ca -0.04 1.91 0.03 0.00 0.31 0.00 0.00 61.69 63.90 1wfn s THR 86 Cb -0.05 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1wfn s THR 86 CO -0.00 0.15 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.66 1wfn s TYR 87 N 1.18 0.90 -0.22 4.92 1.51 0.42 -0.11 117.35 125.95 1wfn s TYR 87 Ca 0.48 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1wfn s TYR 87 Cb -0.20 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.13 1wfn s TYR 87 CO 0.24 -0.01 -0.09 0.99 -1.11 0.00 0.00 175.55 175.56 1wfn s THR 88 N -1.05 2.84 -0.30 -0.71 2.01 0.53 0.21 115.64 119.17 1wfn s THR 88 Ca -0.04 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 1wfn s THR 88 Cb -0.08 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1wfn s THR 88 CO 0.01 0.38 0.21 -0.63 -0.69 0.00 0.00 174.62 173.90 1wfn s ILE 89 N 1.38 5.30 -0.19 1.82 -1.09 -0.50 -1.71 121.20 126.19 1wfn s ILE 89 Ca 0.04 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.47 1wfn s ILE 89 Cb -0.15 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1wfn s ILE 89 CO -0.06 0.17 0.06 -1.61 -1.23 0.00 0.00 174.94 172.26 1wfn s GLU 90 N 1.77 3.88 -0.13 2.79 2.02 0.93 -1.36 118.70 128.60 1wfn s GLU 90 Ca 0.07 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.69 1wfn s GLU 90 Cb -0.16 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 30.87 1wfn s GLU 90 CO 0.11 0.17 -0.18 0.08 0.02 0.00 0.00 175.26 175.46 1wfn s VAL 91 N 0.64 1.76 0.22 2.63 1.01 -0.35 -0.22 120.40 126.08 1wfn s VAL 91 Ca 0.03 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1wfn s VAL 91 Cb -0.13 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1wfn s VAL 91 CO 0.02 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.45 1wfn s ALA 92 N 0.97 2.18 0.46 5.51 0.00 0.44 -0.12 121.76 131.20 1wfn s ALA 92 Ca -0.05 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.25 1wfn s ALA 92 Cb -0.15 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1wfn s ALA 92 CO -0.03 0.13 0.65 0.00 0.00 0.00 0.00 175.76 176.51 1wfn s ALA 93 N -2.78 4.12 -0.03 0.00 0.00 -1.24 -0.22 121.76 121.61 1wfn s ALA 93 Ca 0.24 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1wfn s ALA 93 Cb -0.02 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.24 1wfn s ALA 93 CO 0.09 -0.44 0.03 -1.64 0.00 0.00 0.00 175.76 173.80 1wfn s MET 94 N -4.51 0.02 0.00 0.00 -1.94 0.19 -2.16 119.30 110.90 1wfn s MET 94 Ca 0.53 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.73 1wfn s MET 94 Cb -0.10 -0.37 0.00 0.00 2.01 0.00 0.00 34.83 36.37 1wfn s MET 94 CO 0.36 -0.21 0.00 0.25 -0.01 0.00 0.00 175.02 175.41 1wfn n THR 95 N 4.48 0.00 0.40 2.05 -2.24 -0.44 0.29 114.28 118.81 1wfn n THR 95 Ca -0.21 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1wfn n THR 95 Cb 0.50 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.88 0.46 -0.08 3.42 3.41 -1.26 -2.89 113.62 115.79 1wfn n SER 96 Ca 0.00 0.62 -0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1wfn n SER 96 Cb 0.00 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 1wfn n SER 96 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfn h LYS 97 N 0.00 0.00 0.00 4.33 1.79 -1.94 -3.51 116.57 117.24 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 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1wfn h LYS 97 CO 0.00 0.61 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 1wfn n GLY 98 N 1.55 -1.06 3.15 3.86 0.00 -1.14 -5.09 105.19 106.47 1wfn n GLY 98 Ca -0.18 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.92 0.00 1.61 0.74 -1.26 -1.33 119.66 120.34 1wfn s GLN 99 Ca 0.00 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.59 1wfn s GLN 99 Cb 0.00 -0.94 0.00 0.00 1.10 0.00 0.00 33.01 33.17 1wfn s GLN 99 CO 0.00 0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 1wfn n GLY 100 N 1.74 4.40 3.05 2.59 0.00 -0.92 -4.80 105.19 111.26 1wfn n GLY 100 Ca -0.19 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.02 -1.15 -3.90 1.61 7.27 -0.93 -4.51 117.38 115.76 1wfn n GLN 101 Ca 0.00 -0.33 -0.11 0.00 0.07 0.00 0.00 57.00 56.63 1wfn n GLN 101 Cb 0.00 -1.34 -0.11 0.00 2.41 0.00 0.00 30.24 31.19 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 -2.09 0.06 -0.35 1.69 0.11 -1.26 -3.71 120.40 114.85 1wfn s VAL 102 Ca 0.37 -0.52 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1wfn s VAL 102 Cb -0.02 -0.27 0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1wfn s VAL 102 CO 0.48 -0.29 0.09 -0.44 -3.33 0.00 0.00 175.10 171.62 1wfn s SER 103 N -0.91 5.09 -0.29 3.54 0.01 0.83 -4.86 113.70 117.11 1wfn s SER 103 Ca -0.10 -1.55 -0.10 0.00 1.31 0.00 0.00 55.95 55.51 1wfn s SER 103 Cb -0.06 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 1wfn s SER 103 CO 0.00 -0.38 0.17 0.00 0.41 0.00 0.00 173.24 173.44 1wfn s ALA 104 N 1.23 3.40 -0.10 1.44 0.00 -1.25 -1.21 121.76 125.27 1wfn s ALA 104 Ca 0.01 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.80 1wfn s ALA 104 Cb -0.21 -2.41 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 1wfn s ALA 104 CO -0.02 -0.67 -0.23 -1.12 0.00 0.00 0.00 175.76 173.72 1wfn s SER 105 N 1.70 3.22 0.16 0.00 0.01 -0.46 -4.89 113.70 113.44 1wfn s SER 105 Ca 0.06 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1wfn s SER 105 Cb -0.16 -1.39 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 1wfn s SER 105 CO 0.09 0.17 1.06 -0.89 0.41 0.00 0.00 173.24 174.07 1wfn s THR 106 N 0.30 4.04 -0.11 1.44 2.01 -1.26 -1.41 115.64 120.65 1wfn s THR 106 Ca -0.17 1.75 -0.06 0.00 0.31 0.00 0.00 61.69 63.52 1wfn s THR 106 Cb -0.17 -4.12 0.04 0.00 0.01 0.00 0.00 72.50 68.26 1wfn s THR 106 CO 0.08 0.29 0.26 -0.51 -0.69 0.00 0.00 174.62 174.05 1wfn s ILE 107 N -0.19 -0.03 -0.28 1.82 1.10 0.57 -4.95 121.20 119.24 1wfn s ILE 107 Ca 0.49 0.11 -0.11 0.00 -0.51 0.00 0.00 60.65 60.63 1wfn s ILE 107 Cb -0.28 -0.39 -0.05 0.00 0.15 0.00 0.00 42.46 41.89 1wfn s ILE 107 CO 0.33 0.05 0.19 -0.55 -2.11 0.00 0.00 174.94 172.85 1wfn s SER 108 N 1.03 5.99 0.22 4.50 0.15 -1.26 0.16 113.70 124.49 1wfn s SER 108 Ca -0.07 -0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.26 1wfn s SER 108 Cb -0.08 -2.11 -0.16 0.00 -1.71 0.00 0.00 66.02 61.95 1wfn s SER 108 CO -0.07 -0.06 0.45 -1.54 1.20 0.00 0.00 173.24 173.22 1wfn n SER 109 N 5.06 -1.40 0.00 5.45 3.41 0.69 -4.83 113.62 122.00 1wfn n SER 109 Ca -0.14 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1wfn n SER 109 Cb 0.52 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 1.98 -1.80 3.65 5.00 0.00 0.52 -3.96 105.19 110.59 1wfn n GLY 110 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1wfn n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfn s VAL 111 N 0.00 0.00 -0.02 1.61 0.11 0.14 -4.46 120.40 117.77 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 -0.18 4.37 0.00 1.54 0.04 -1.26 -3.89 135.00 135.62 1wfn s PRO 112 Ca 0.07 1.70 0.22 0.00 0.04 0.00 0.00 61.00 63.04 1wfn s PRO 112 Cb -0.04 -3.51 1.07 0.00 0.04 0.00 0.00 34.50 32.07 1wfn s PRO 112 CO -0.13 -0.40 1.73 -0.35 0.04 0.00 0.00 177.00 177.89 1wfn n PRO 113 N 4.88 0.22 -3.00 0.56 -0.04 -1.26 -4.21 135.00 132.14 1wfn n PRO 113 Ca 0.10 0.09 -0.44 0.00 -0.04 0.00 0.00 63.50 63.21 1wfn n PRO 113 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1wfn n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfn s SER 114 N -2.71 6.80 0.00 3.54 0.15 -1.26 -4.62 113.70 115.60 1wfn s SER 114 Ca 0.18 -2.45 0.00 0.00 0.70 0.00 0.00 55.95 54.38 1wfn s SER 114 Cb 0.15 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1wfn s SER 114 CO 0.36 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1wfn n GLY 115 N 4.80 1.33 3.75 9.45 0.00 -1.26 -5.08 105.19 118.18 1wfn n GLY 115 Ca 0.26 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 4.64 -0.05 1.61 0.04 -1.26 -4.94 135.00 135.03 1wfn s PRO 116 Ca 0.00 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1wfn s PRO 116 Cb 0.00 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1wfn s PRO 116 CO 0.00 0.18 -0.05 -1.13 0.04 0.00 0.00 177.00 176.04 1wfn n SER 117 N 1.60 2.43 -3.85 6.66 3.41 -1.26 -4.58 113.62 118.02 1wfn n SER 117 Ca 0.00 0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 1wfn n SER 117 Cb 0.45 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1wfn n SER 117 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wfn s SER 118 N -4.86 -0.04 0.00 4.04 0.01 -1.26 -5.14 113.70 106.45 1wfn s SER 118 Ca -0.07 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1wfn s SER 118 Cb 0.02 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1wfn s SER 118 CO 0.11 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.10