#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn n SER 2 N 0.00 1.80 -0.17 1.61 2.88 -1.26 -4.66 113.62 113.81 1wfn n SER 2 Ca 0.00 0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.72 1wfn n SER 2 Cb 0.00 -0.69 -0.09 0.00 -0.75 0.00 0.00 64.21 62.69 1wfn n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wfn h SER 3 N -0.86 -1.81 -2.15 -3.46 0.87 -2.07 -3.39 113.55 100.69 1wfn h SER 3 Ca -0.11 0.25 -0.60 0.00 -1.23 0.00 0.00 61.79 60.10 1wfn h SER 3 Cb 0.97 0.76 0.04 0.00 -0.44 0.00 0.00 62.40 63.73 1wfn h SER 3 CO -0.06 -0.38 0.91 0.61 -0.53 0.00 0.00 176.83 177.37 1wfn n GLY 4 N -1.37 1.23 3.63 5.77 0.00 -1.26 -4.92 105.19 108.26 1wfn n GLY 4 Ca -0.02 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.71 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 2.17 -0.05 0.41 1.61 1.04 -1.26 -5.01 113.70 112.61 1wfn s SER 5 Ca 0.85 0.00 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1wfn s SER 5 Cb -0.70 0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1wfn s SER 5 CO 0.44 -0.08 0.00 -0.24 0.98 0.00 0.00 173.24 174.34 1wfn n SER 6 N -0.01 -5.50 -4.02 7.02 2.88 -1.26 -5.05 113.62 107.66 1wfn n SER 6 Ca 0.04 1.14 -0.08 0.00 -1.33 0.00 0.00 58.87 58.63 1wfn n SER 6 Cb 0.57 -3.23 -0.09 0.00 -0.75 0.00 0.00 64.21 60.71 1wfn n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfn s GLY 7 N -5.39 0.43 0.52 0.46 0.00 -1.26 -5.16 107.32 96.92 1wfn s GLY 7 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 1wfn s GLY 7 CO 0.00 -1.15 1.04 2.56 0.00 0.00 0.00 173.10 175.55 1wfn s PRO 8 N -3.92 3.65 0.00 2.90 0.04 -1.26 -5.04 135.00 131.37 1wfn s PRO 8 Ca 0.09 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1wfn s PRO 8 Cb 0.07 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wfn s PRO 8 CO -0.08 -0.55 0.00 1.04 0.04 0.00 0.00 177.00 177.45 1wfn n GLN 9 N -1.35 -0.37 -3.25 4.56 6.02 -1.26 -5.16 117.38 116.57 1wfn n GLN 9 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1wfn n GLN 9 Cb 0.53 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.76 1wfn n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wfn s LEU 10 N 0.00 -0.48 -0.18 1.08 2.96 -1.26 -5.17 118.68 115.63 1wfn s LEU 10 Ca 0.00 0.48 -0.32 0.00 -0.22 0.00 0.00 54.13 54.06 1wfn s LEU 10 Cb 0.00 1.47 0.14 0.00 0.50 0.00 0.00 46.19 48.31 1wfn s LEU 10 CO 0.00 -0.09 1.16 0.54 -1.32 0.00 0.00 176.35 176.64 1wfn s VAL 11 N 2.62 0.00 -0.23 1.68 0.11 -1.26 -5.15 120.40 118.18 1wfn s VAL 11 Ca -0.01 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1wfn s VAL 11 Cb -0.07 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1wfn s VAL 11 CO -0.15 0.00 0.01 -0.13 -3.33 0.00 0.00 175.10 171.51 1wfn s ARG 12 N -1.99 3.55 -0.11 1.54 0.52 -1.26 -5.07 118.95 116.12 1wfn s ARG 12 Ca 0.07 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1wfn s ARG 12 Cb -0.01 -3.15 0.04 0.00 0.52 0.00 0.00 34.95 32.35 1wfn s ARG 12 CO -0.05 -0.14 0.05 0.95 0.02 0.00 0.00 175.30 176.13 1wfn s THR 13 N 1.42 0.14 0.44 0.02 -4.23 -1.26 -5.14 115.64 107.03 1wfn s THR 13 Ca 0.05 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 1wfn s THR 13 Cb -0.15 -0.52 -0.08 0.00 1.34 0.00 0.00 72.50 73.10 1wfn s THR 13 CO 0.01 0.02 0.86 -1.00 -0.54 0.00 0.00 174.62 173.97 1wfn s HIS 14 N 2.05 3.44 0.00 3.99 3.76 -1.26 -5.06 115.29 122.21 1wfn s HIS 14 Ca 0.03 1.27 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1wfn s HIS 14 Cb -0.14 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.93 1wfn s HIS 14 CO -0.06 -0.19 0.00 0.39 -0.85 0.00 0.00 174.74 174.03 1wfn n GLU 15 N -1.26 0.00 0.18 1.40 1.02 -1.26 -5.07 120.64 115.65 1wfn n GLU 15 Ca 0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 1wfn n GLU 15 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.92 1wfn n GLU 15 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1wfn h ASP 16 N 0.00 -0.41 -2.37 1.62 3.58 -1.97 -3.45 116.42 113.42 1wfn h ASP 16 Ca 0.00 0.01 -0.51 0.00 0.42 0.00 0.00 57.03 56.96 1wfn h ASP 16 Cb 0.00 0.11 0.23 0.00 1.72 0.00 0.00 39.33 41.39 1wfn h ASP 16 CO 0.00 -0.21 -1.38 1.33 -2.88 0.00 0.00 179.24 176.09 1wfn n VAL 17 N -3.74 0.00 -1.51 2.25 0.24 -1.26 -4.77 118.33 109.54 1wfn n VAL 17 Ca -0.06 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 1wfn n VAL 17 Cb 0.19 -0.37 0.23 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.93 -0.55 0.00 7.34 0.04 -1.26 -4.83 135.00 132.81 1wfn s PRO 18 Ca 0.49 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1wfn s PRO 18 Cb -0.12 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1wfn s PRO 18 CO 0.70 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.93 1wfn n GLY 19 N -2.40 1.77 3.72 0.56 0.00 -1.19 -1.81 105.19 105.84 1wfn n GLY 19 Ca 0.16 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 3.19 4.49 0.08 1.61 0.04 -1.26 -3.59 135.00 139.56 1wfn s PRO 20 Ca 0.00 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1wfn s PRO 20 Cb 0.00 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.22 1wfn s PRO 20 CO 0.00 -0.14 0.04 1.33 0.04 0.00 0.00 177.00 178.27 1wfn n VAL 21 N 3.46 0.00 0.00 -0.36 0.24 -1.26 -4.39 118.33 116.02 1wfn n VAL 21 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1wfn n VAL 21 Cb 0.47 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.25 -3.17 3.69 7.63 0.00 0.16 -4.65 105.19 108.60 1wfn n GLY 22 Ca 0.01 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 3.36 0.33 1.61 -3.43 -1.26 -4.68 115.29 111.22 1wfn s HIS 23 Ca 0.00 0.33 -0.29 0.00 -0.80 0.00 0.00 55.06 54.29 1wfn s HIS 23 Cb 0.00 -2.26 -0.11 0.00 -1.43 0.00 0.00 32.58 28.77 1wfn s HIS 23 CO 0.00 0.15 1.55 1.28 -2.00 0.00 0.00 174.74 175.72 1wfn n LEU 24 N 3.98 4.50 -4.08 5.38 7.99 -1.26 -4.40 117.00 129.12 1wfn n LEU 24 Ca -0.14 1.18 -0.12 0.00 -0.01 0.00 0.00 56.01 56.92 1wfn n LEU 24 Cb 0.52 -1.60 -0.11 0.00 -0.11 0.00 0.00 43.42 42.12 1wfn n LEU 24 CO 0.37 0.14 -0.39 -0.55 -1.51 0.00 0.00 177.39 175.44 1wfn s SER 25 N 0.24 0.83 -0.04 -1.43 0.15 0.95 -4.99 113.70 109.41 1wfn s SER 25 Ca 0.60 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1wfn s SER 25 Cb -0.49 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1wfn s SER 25 CO 0.55 -0.29 0.07 -0.36 1.20 0.00 0.00 173.24 174.41 1wfn s PHE 26 N -2.00 -0.03 0.17 3.44 0.08 -1.26 -1.37 117.98 117.01 1wfn s PHE 26 Ca -0.05 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.27 1wfn s PHE 26 Cb -0.06 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 1wfn s PHE 26 CO -0.01 -0.14 0.09 -1.12 -0.10 0.00 0.00 175.22 173.93 1wfn s SER 27 N 1.39 0.35 -1.41 1.36 0.01 -0.85 -4.88 113.70 109.67 1wfn s SER 27 Ca -0.06 -1.29 -0.00 0.00 1.31 0.00 0.00 55.95 55.91 1wfn s SER 27 Cb -0.12 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1wfn s SER 27 CO -0.04 -0.77 0.41 -0.62 0.41 0.00 0.00 173.24 172.63 1wfn n GLU 28 N -0.20 -3.27 -2.97 12.44 1.02 -1.26 -1.03 120.64 125.37 1wfn n GLU 28 Ca -0.02 0.40 -0.40 0.00 -0.02 0.00 0.00 57.16 57.12 1wfn n GLU 28 Cb 0.65 -4.52 -0.05 0.00 -0.02 0.00 0.00 31.44 27.50 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wfn s ILE 29 N -3.97 4.66 0.00 -3.67 1.01 -1.26 -4.04 121.20 113.93 1wfn s ILE 29 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.31 1wfn s ILE 29 Cb -0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1wfn s ILE 29 CO 0.89 0.39 0.00 0.18 0.00 0.00 0.00 174.94 176.40 1wfn n LEU 30 N 2.59 0.00 -0.05 2.97 7.99 0.24 -4.52 117.00 126.22 1wfn n LEU 30 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.92 1wfn n LEU 30 Cb 0.50 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.74 1wfn n LEU 30 CO 0.47 0.00 -0.81 -0.90 -1.51 0.00 0.00 177.39 174.64 1wfn n ASP 31 N 0.00 2.85 -0.44 -1.43 5.75 -1.25 0.19 116.55 122.22 1wfn n ASP 31 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1wfn n ASP 31 Cb 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 -2.45 0.00 -3.74 2.12 -2.24 -1.26 -1.48 114.28 105.23 1wfn n THR 32 Ca -0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1wfn n THR 32 Cb 0.78 0.45 -0.13 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 -0.70 -0.22 -0.04 3.42 1.04 -1.26 -1.92 113.70 114.04 1wfn s SER 33 Ca 0.00 0.45 -0.19 0.00 0.48 0.00 0.00 55.95 56.69 1wfn s SER 33 Cb 0.00 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.50 1wfn s SER 33 CO 0.00 -0.16 0.42 -1.48 0.98 0.00 0.00 173.24 173.00 1wfn s LEU 34 N 1.17 0.42 -0.02 2.42 0.05 -0.82 0.83 118.68 122.72 1wfn s LEU 34 Ca -0.09 0.31 -0.16 0.00 0.05 0.00 0.00 54.13 54.25 1wfn s LEU 34 Cb -0.10 1.62 -0.05 0.00 -2.05 0.00 0.00 46.19 45.60 1wfn s LEU 34 CO -0.07 -0.47 0.43 -0.75 -0.55 0.00 0.00 176.35 174.94 1wfn s LYS 35 N -1.17 4.03 -0.12 1.48 2.36 -0.20 0.58 119.74 126.71 1wfn s LYS 35 Ca -0.12 0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.74 1wfn s LYS 35 Cb -0.04 -3.27 -0.02 0.00 -1.05 0.00 0.00 37.83 33.46 1wfn s LYS 35 CO 0.05 0.57 -0.14 0.08 1.55 0.00 0.00 175.35 177.47 1wfn s VAL 36 N -0.71 3.02 0.04 4.02 1.01 0.45 -2.01 120.40 126.21 1wfn s VAL 36 Ca 0.24 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1wfn s VAL 36 Cb -0.16 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1wfn s VAL 36 CO 0.13 0.53 -0.11 -0.94 0.00 0.00 0.00 175.10 174.71 1wfn s SER 37 N 0.23 1.31 0.26 3.32 1.04 -0.47 0.11 113.70 119.51 1wfn s SER 37 Ca -0.09 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 1wfn s SER 37 Cb -0.15 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1wfn s SER 37 CO 0.05 -0.04 0.36 -2.67 0.98 0.00 0.00 173.24 171.93 1wfn n TRP 38 N 1.85 -1.17 -4.48 5.02 2.14 0.22 -0.03 117.44 120.97 1wfn n TRP 38 Ca -0.19 -1.80 -0.25 0.00 2.07 0.00 0.00 57.50 57.33 1wfn n TRP 38 Cb 0.55 0.41 -0.07 0.00 -0.81 0.00 0.00 31.31 31.38 1wfn n TRP 38 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1wfn n GLN 39 N -0.44 0.55 -2.74 -2.67 1.13 -1.26 -4.72 117.38 107.24 1wfn n GLN 39 Ca 0.01 -3.49 -0.38 0.00 -1.94 0.00 0.00 57.00 51.20 1wfn n GLN 39 Cb 0.44 2.00 -0.06 0.00 0.11 0.00 0.00 30.24 32.73 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 -3.56 4.62 0.65 -1.09 2.02 -1.26 0.36 118.70 120.45 1wfn s GLU 40 Ca 0.23 1.41 -0.13 0.00 0.02 0.00 0.00 54.97 56.50 1wfn s GLU 40 Cb 0.01 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1wfn s GLU 40 CO 0.16 0.30 1.06 -1.25 0.02 0.00 0.00 175.26 175.55 1wfn s PRO 41 N -1.84 3.11 0.04 0.39 0.04 -1.26 -3.87 135.00 131.61 1wfn s PRO 41 Ca 0.48 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.80 1wfn s PRO 41 Cb -0.21 -2.01 0.58 0.00 0.04 0.00 0.00 34.50 32.90 1wfn s PRO 41 CO 0.27 -0.96 1.48 0.41 0.04 0.00 0.00 177.00 178.24 1wfn n GLY 42 N -1.68 -1.34 2.12 0.56 0.00 -1.26 -3.82 105.19 99.77 1wfn n GLY 42 Ca 0.08 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1wfn n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wfn n GLU 43 N -1.68 3.26 -0.69 1.61 0.28 -1.26 -4.77 120.64 117.39 1wfn n GLU 43 Ca 0.05 -3.84 0.53 0.00 -0.16 0.00 0.00 57.16 53.73 1wfn n GLU 43 Cb 0.37 -2.28 0.81 0.00 1.43 0.00 0.00 31.44 31.77 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1wfn h LYS 44 N 2.10 0.00 -2.60 3.44 1.57 -1.95 -3.15 116.57 115.98 1wfn h LYS 44 Ca 0.45 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.06 1wfn h LYS 44 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 1wfn h LYS 44 CO 1.05 0.00 -0.19 0.09 -0.57 0.00 0.00 179.45 179.84 1wfn n ASN 45 N -3.92 -2.60 0.00 0.86 3.02 -1.26 -4.21 115.26 107.16 1wfn n ASN 45 Ca 0.44 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1wfn n ASN 45 Cb 2.00 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1wfn n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfn n GLY 46 N -0.38 0.03 2.98 7.41 0.00 -1.26 -4.90 105.19 109.07 1wfn n GLY 46 Ca -0.09 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 0.87 0.11 -0.61 -1.09 -1.26 -5.12 121.20 114.09 1wfn s ILE 47 Ca 0.00 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 57.77 1wfn s ILE 47 Cb 0.00 -0.80 -0.06 0.00 -1.58 0.00 0.00 42.46 40.02 1wfn s ILE 47 CO 0.00 0.29 0.97 -0.76 -1.23 0.00 0.00 174.94 174.20 1wfn s LEU 48 N 0.56 4.49 0.00 2.97 2.01 -1.26 -4.16 118.68 123.29 1wfn s LEU 48 Ca -0.10 1.79 0.16 0.00 0.01 0.00 0.00 54.13 56.00 1wfn s LEU 48 Cb -0.13 -3.59 0.27 0.00 0.01 0.00 0.00 46.19 42.75 1wfn s LEU 48 CO 0.02 -0.08 1.18 0.35 1.01 0.00 0.00 176.35 178.82 1wfn n THR 49 N 2.85 0.42 -0.26 5.49 -2.24 0.71 -4.61 114.28 116.63 1wfn n THR 49 Ca 0.03 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1wfn n THR 49 Cb 0.49 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1wfn n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfn n GLY 50 N 0.97 -2.64 2.80 3.38 0.00 -1.13 -3.89 105.19 104.68 1wfn n GLY 50 Ca 0.13 -1.28 -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 -2.07 0.01 -0.26 1.61 2.02 0.12 0.23 117.35 119.01 1wfn s TYR 51 Ca 0.00 0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 1wfn s TYR 51 Cb 0.00 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 1wfn s TYR 51 CO 0.00 -0.09 0.24 0.50 -1.57 0.00 0.00 175.55 174.63 1wfn s ARG 52 N 0.98 4.02 -0.01 -0.62 3.52 0.72 -0.88 118.95 126.68 1wfn s ARG 52 Ca -0.08 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.39 1wfn s ARG 52 Cb -0.12 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1wfn s ARG 52 CO -0.03 -0.12 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.67 1wfn s ILE 53 N 1.60 2.91 -0.17 4.11 2.07 -1.06 0.24 121.20 130.90 1wfn s ILE 53 Ca 0.10 -0.94 -0.04 0.00 -1.41 0.00 0.00 60.65 58.36 1wfn s ILE 53 Cb -0.15 -2.17 0.08 0.00 0.13 0.00 0.00 42.46 40.35 1wfn s ILE 53 CO 0.09 0.48 0.23 -0.44 -1.91 0.00 0.00 174.94 173.38 1wfn s SER 54 N -1.05 0.97 0.01 4.50 0.01 0.25 -1.78 113.70 116.61 1wfn s SER 54 Ca 0.13 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 1wfn s SER 54 Cb -0.11 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1wfn s SER 54 CO 0.03 -0.29 0.12 -1.66 0.41 0.00 0.00 173.24 171.84 1wfn s TRP 55 N 2.35 3.36 0.01 2.43 -2.14 -1.25 -0.51 118.94 123.19 1wfn s TRP 55 Ca 0.05 0.23 -0.29 0.00 2.66 0.00 0.00 56.10 58.76 1wfn s TRP 55 Cb -0.14 -1.75 0.10 0.00 -3.10 0.00 0.00 33.47 28.58 1wfn s TRP 55 CO -0.10 0.58 0.94 -1.83 -2.66 0.00 0.00 176.95 173.87 1wfn s GLU 56 N -1.93 0.84 1.26 3.25 -1.05 -0.87 -2.19 118.70 118.02 1wfn s GLU 56 Ca 0.26 -0.35 -0.18 0.00 -0.15 0.00 0.00 54.97 54.54 1wfn s GLU 56 Cb -0.12 0.36 0.28 0.00 -0.44 0.00 0.00 34.13 34.21 1wfn s GLU 56 CO 0.17 -0.37 0.68 0.39 0.95 0.00 0.00 175.26 177.08 1wfn n GLU 57 N -0.28 -3.30 0.22 -4.83 -0.58 -1.21 0.14 120.64 110.79 1wfn n GLU 57 Ca -0.08 -0.96 -0.15 0.00 -0.42 0.00 0.00 57.16 55.55 1wfn n GLU 57 Cb 0.61 -1.87 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1wfn h TYR 58 N -2.99 -1.23 -2.14 -0.32 3.20 0.10 -3.31 116.97 110.28 1wfn h TYR 58 Ca -0.46 0.01 -0.54 0.00 3.14 0.00 0.00 58.73 60.88 1wfn h TYR 58 Cb 1.24 0.49 -0.41 0.00 1.54 0.00 0.00 36.73 39.59 1wfn h TYR 58 CO -1.95 -0.56 -0.91 0.27 -1.64 0.00 0.00 178.16 173.36 1wfn n ASN 59 N -5.05 2.60 -3.23 -2.11 6.94 -1.26 -4.80 115.26 108.34 1wfn n ASN 59 Ca -0.10 -3.32 -0.03 0.00 -0.02 0.00 0.00 54.58 51.11 1wfn n ASN 59 Cb 0.39 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 37.18 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfn s ARG 60 N -2.85 0.62 0.45 -3.83 0.52 -1.25 -4.99 118.95 107.61 1wfn s ARG 60 Ca 0.44 0.01 0.24 0.00 -0.52 0.00 0.00 55.73 55.89 1wfn s ARG 60 Cb 0.30 -0.06 1.03 0.00 0.52 0.00 0.00 34.95 36.74 1wfn s ARG 60 CO -0.11 -1.11 1.88 1.15 0.02 0.00 0.00 175.30 177.13 1wfn h THR 61 N 5.60 0.62 -1.04 0.02 2.02 -1.93 -2.88 112.91 115.32 1wfn h THR 61 Ca -0.00 -1.03 0.27 0.00 0.77 0.00 0.00 66.41 66.42 1wfn h THR 61 Cb 1.15 1.67 -0.11 0.00 -1.74 0.00 0.00 68.15 69.13 1wfn h THR 61 CO 0.17 0.22 0.64 -1.13 0.37 0.00 0.00 175.52 175.79 1wfn h ASN 62 N 0.00 0.53 -0.70 4.18 -0.73 -1.99 1.01 115.58 117.88 1wfn h ASN 62 Ca -0.00 0.11 -0.44 0.00 1.87 0.00 0.00 56.30 57.84 1wfn h ASN 62 Cb 0.66 0.03 -0.21 0.00 0.27 0.00 0.00 38.32 39.07 1wfn h ASN 62 CO 0.03 0.07 0.56 0.35 -0.37 0.00 0.00 177.43 178.07 1wfn n THR 63 N -4.75 2.95 -4.02 -3.57 -2.24 -1.09 -4.91 114.28 96.64 1wfn n THR 63 Ca 0.27 -1.92 -0.36 0.00 -2.27 0.00 0.00 64.05 59.77 1wfn n THR 63 Cb 0.86 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.55 3.30 0.25 -0.78 3.52 0.35 -3.86 118.95 119.18 1wfn s ARG 64 Ca 0.44 -0.22 0.10 0.00 -0.13 0.00 0.00 55.73 55.92 1wfn s ARG 64 Cb 0.35 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 1wfn s ARG 64 CO 0.02 0.75 -0.18 0.54 -0.81 0.00 0.00 175.30 175.63 1wfn s VAL 65 N -1.00 2.16 -0.25 7.11 0.11 -0.93 -4.99 120.40 122.61 1wfn s VAL 65 Ca 0.15 -2.32 0.01 0.00 -2.93 0.00 0.00 61.98 56.88 1wfn s VAL 65 Cb -0.12 -2.19 0.07 0.00 -1.53 0.00 0.00 36.38 32.61 1wfn s VAL 65 CO 0.04 -0.48 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.42 1wfn s THR 66 N -2.70 1.43 0.25 5.04 2.01 -1.26 -3.93 115.64 116.48 1wfn s THR 66 Ca 0.27 -1.29 0.10 0.00 0.31 0.00 0.00 61.69 61.08 1wfn s THR 66 Cb -0.03 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1wfn s THR 66 CO 0.11 -0.22 -0.11 -1.00 -0.69 0.00 0.00 174.62 172.71 1wfn s HIS 67 N 1.42 2.50 -0.06 4.92 3.76 -0.73 -5.03 115.29 122.06 1wfn s HIS 67 Ca -0.02 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1wfn s HIS 67 Cb -0.19 -1.13 0.02 0.00 1.11 0.00 0.00 32.58 32.39 1wfn s HIS 67 CO -0.09 0.63 -0.08 0.71 -0.85 0.00 0.00 174.74 175.06 1wfn s TYR 68 N -2.23 1.12 0.25 1.40 2.02 -1.26 -2.57 117.35 116.08 1wfn s TYR 68 Ca 0.29 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 1wfn s TYR 68 Cb -0.06 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 1wfn s TYR 68 CO 0.16 -0.26 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.23 1wfn s LEU 69 N 0.89 2.57 1.05 -1.29 1.43 -0.06 -4.97 118.68 118.30 1wfn s LEU 69 Ca -0.11 -1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 51.76 1wfn s LEU 69 Cb -0.15 -0.83 0.22 0.00 0.03 0.00 0.00 46.19 45.47 1wfn s LEU 69 CO 0.01 -0.13 1.21 -2.16 0.23 0.00 0.00 176.35 175.51 1wfn s PRO 70 N -3.61 -0.01 -0.06 1.29 0.04 -1.26 0.16 135.00 131.54 1wfn s PRO 70 Ca 0.27 -0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.20 1wfn s PRO 70 Cb -0.01 -1.75 0.23 0.00 0.04 0.00 0.00 34.50 33.01 1wfn s PRO 70 CO 0.11 -2.89 0.88 0.27 0.04 0.00 0.00 177.00 175.40 1wfn n ASN 71 N -4.16 2.26 -0.01 6.66 6.94 -1.25 -3.01 115.26 122.68 1wfn n ASN 71 Ca 0.13 -2.25 0.02 0.00 -0.02 0.00 0.00 54.58 52.46 1wfn n ASN 71 Cb 0.59 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wfn n VAL 72 N 0.17 0.10 -4.05 3.53 0.24 -1.26 -4.90 118.33 112.17 1wfn n VAL 72 Ca 0.08 -0.17 -0.35 0.00 -2.04 0.00 0.00 64.34 61.86 1wfn n VAL 72 Cb 0.50 0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 1wfn n VAL 72 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wfn s THR 73 N -2.36 5.03 -0.00 3.34 2.01 -1.17 -4.97 115.64 117.52 1wfn s THR 73 Ca -0.02 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1wfn s THR 73 Cb 0.03 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1wfn s THR 73 CO 0.26 0.49 0.63 0.18 -0.69 0.00 0.00 174.62 175.49 1wfn n LEU 74 N 1.61 0.39 -3.92 4.42 4.77 -1.26 -4.73 117.00 118.27 1wfn n LEU 74 Ca -0.16 -0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 55.26 1wfn n LEU 74 Cb 0.54 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1wfn n LEU 74 CO 0.35 0.11 -0.27 -1.83 -1.33 0.00 0.00 177.39 174.43 1wfn s GLU 75 N -0.22 0.39 0.03 3.23 1.03 -1.26 0.68 118.70 122.58 1wfn s GLU 75 Ca 0.00 -0.49 -0.24 0.00 0.03 0.00 0.00 54.97 54.27 1wfn s GLU 75 Cb 0.00 0.15 0.06 0.00 -0.80 0.00 0.00 34.13 33.54 1wfn s GLU 75 CO 0.00 -0.08 0.56 -0.47 -1.33 0.00 0.00 175.26 173.94 1wfn s TYR 76 N -1.38 -0.49 -0.21 4.83 6.14 0.31 -4.97 117.35 121.58 1wfn s TYR 76 Ca -0.15 0.63 -0.14 0.00 0.64 0.00 0.00 57.07 58.05 1wfn s TYR 76 Cb -0.09 0.37 -0.04 0.00 0.42 0.00 0.00 41.96 42.62 1wfn s TYR 76 CO 0.00 -0.64 0.30 0.50 0.64 0.00 0.00 175.55 176.34 1wfn s ARG 77 N -2.19 4.15 0.09 4.97 3.52 -1.26 0.17 118.95 128.40 1wfn s ARG 77 Ca -0.07 0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1wfn s ARG 77 Cb -0.01 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1wfn s ARG 77 CO 0.01 0.04 0.33 0.08 -0.81 0.00 0.00 175.30 174.95 1wfn s VAL 78 N 1.10 5.21 -0.10 7.11 1.01 0.20 -4.96 120.40 129.97 1wfn s VAL 78 Ca 0.14 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1wfn s VAL 78 Cb -0.14 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1wfn s VAL 78 CO 0.06 0.18 0.49 0.42 0.00 0.00 0.00 175.10 176.25 1wfn s THR 79 N -1.50 0.02 0.00 3.92 -4.23 -1.26 -1.95 115.64 110.64 1wfn s THR 79 Ca 0.35 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1wfn s THR 79 Cb -0.13 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.96 1wfn s THR 79 CO 0.21 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1wfn n GLY 80 N 1.82 1.51 0.00 3.99 0.00 -0.81 -5.02 105.19 106.67 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 -3.84 0.99 4.77 -1.03 -5.09 117.00 112.80 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 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1wfn n LEU 81 CO 0.00 0.00 -0.10 -0.89 -1.33 0.00 0.00 177.39 175.07 1wfn s THR 82 N 1.63 0.09 0.29 -5.08 2.01 -1.25 -4.84 115.64 108.49 1wfn s THR 82 Ca 0.00 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1wfn s THR 82 Cb 0.00 -0.70 -0.10 0.00 0.01 0.00 0.00 72.50 71.71 1wfn s THR 82 CO 0.00 -0.42 1.28 0.00 -0.69 0.00 0.00 174.62 174.79 1wfn s ALA 83 N -1.96 3.49 -1.24 7.40 0.00 -0.55 -3.26 121.76 125.64 1wfn s ALA 83 Ca -0.10 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 52.72 1wfn s ALA 83 Cb -0.04 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1wfn s ALA 83 CO -0.01 -0.54 0.62 1.28 0.00 0.00 0.00 175.76 177.12 1wfn n LEU 84 N 1.36 -0.49 -4.04 0.00 4.77 -1.26 -4.94 117.00 112.41 1wfn n LEU 84 Ca 0.02 -1.28 -0.19 0.00 -0.03 0.00 0.00 56.01 54.53 1wfn n LEU 84 Cb 0.42 -1.67 -0.15 0.00 -2.33 0.00 0.00 43.42 39.70 1wfn n LEU 84 CO 0.58 0.76 -0.44 -0.89 -1.33 0.00 0.00 177.39 176.07 1wfn s THR 85 N -3.61 0.76 -0.21 -5.08 2.01 -1.20 -4.89 115.64 103.41 1wfn s THR 85 Ca 0.44 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 1wfn s THR 85 Cb -0.24 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 1wfn s THR 85 CO 0.97 0.18 0.93 -0.89 -0.69 0.00 0.00 174.62 175.12 1wfn s THR 86 N -0.31 4.77 0.14 -0.82 2.01 -1.26 -0.46 115.64 119.71 1wfn s THR 86 Ca 0.03 1.81 0.08 0.00 0.31 0.00 0.00 61.69 63.92 1wfn s THR 86 Cb -0.04 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1wfn s THR 86 CO -0.00 -0.09 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.34 1wfn s TYR 87 N 2.81 1.75 -0.18 4.92 1.51 0.43 0.15 117.35 128.74 1wfn s TYR 87 Ca 0.40 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1wfn s TYR 87 Cb -0.16 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1wfn s TYR 87 CO 0.08 0.26 -0.18 0.99 -1.11 0.00 0.00 175.55 175.60 1wfn s THR 88 N -1.76 1.95 -0.30 -0.71 2.01 0.37 0.19 115.64 117.40 1wfn s THR 88 Ca 0.12 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 1wfn s THR 88 Cb -0.07 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1wfn s THR 88 CO 0.05 0.49 0.19 -0.63 -0.69 0.00 0.00 174.62 174.03 1wfn s ILE 89 N 1.32 5.13 -0.26 1.82 -1.09 -0.67 -2.04 121.20 125.41 1wfn s ILE 89 Ca 0.04 -0.03 -0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1wfn s ILE 89 Cb -0.13 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1wfn s ILE 89 CO -0.12 0.17 0.11 -1.61 -1.23 0.00 0.00 174.94 172.26 1wfn s GLU 90 N 1.72 3.76 -0.23 2.79 8.01 0.33 -1.57 118.70 133.51 1wfn s GLU 90 Ca 0.06 -0.42 -0.03 0.00 0.01 0.00 0.00 54.97 54.60 1wfn s GLU 90 Cb -0.16 -3.44 0.01 0.00 -4.31 0.00 0.00 34.13 26.23 1wfn s GLU 90 CO 0.10 -0.18 -0.06 0.08 0.01 0.00 0.00 175.26 175.20 1wfn s VAL 91 N 1.65 3.05 0.26 2.63 1.01 0.39 -0.58 120.40 128.82 1wfn s VAL 91 Ca 0.07 -0.76 0.12 0.00 0.00 0.00 0.00 61.98 61.40 1wfn s VAL 91 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1wfn s VAL 91 CO 0.06 0.33 -0.20 0.00 0.00 0.00 0.00 175.10 175.30 1wfn s ALA 92 N 1.40 2.73 0.40 5.51 0.00 0.14 0.38 121.76 132.32 1wfn s ALA 92 Ca 0.03 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.24 1wfn s ALA 92 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1wfn s ALA 92 CO -0.05 0.31 0.55 0.00 0.00 0.00 0.00 175.76 176.58 1wfn s ALA 93 N -2.33 4.34 -0.02 0.00 0.00 -1.25 -0.20 121.76 122.30 1wfn s ALA 93 Ca 0.28 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1wfn s ALA 93 Cb -0.06 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1wfn s ALA 93 CO 0.14 -0.23 0.01 -1.64 0.00 0.00 0.00 175.76 174.04 1wfn s MET 94 N -4.33 0.09 0.00 0.00 -1.94 0.14 -2.58 119.30 110.67 1wfn s MET 94 Ca 0.51 0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.57 1wfn s MET 94 Cb -0.10 -0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.50 1wfn s MET 94 CO 0.33 -0.09 0.00 0.25 -0.01 0.00 0.00 175.02 175.50 1wfn n THR 95 N 3.75 0.00 1.80 2.05 -2.24 0.15 0.25 114.28 120.05 1wfn n THR 95 Ca -0.22 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1wfn n THR 95 Cb 0.54 -0.01 0.36 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.66 0.39 -0.03 3.42 2.88 -1.26 -3.38 113.62 114.97 1wfn n SER 96 Ca 0.00 -1.65 -0.04 0.00 -1.33 0.00 0.00 58.87 55.84 1wfn n SER 96 Cb 0.00 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 1wfn n SER 96 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1wfn n LYS 97 N -0.45 0.40 -0.43 -1.46 -0.00 -1.26 -5.14 118.16 109.82 1wfn n LYS 97 Ca 0.11 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1wfn n LYS 97 Cb 0.11 -1.13 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 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 3.14 -0.53 3.86 2.58 0.00 -1.22 -5.06 105.19 107.96 1wfn n GLY 98 Ca -0.12 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.75 3.32 0.00 1.61 0.74 -1.26 0.33 119.66 122.65 1wfn s GLN 99 Ca 0.00 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1wfn s GLN 99 Cb 0.00 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 31.07 1wfn s GLN 99 CO 0.00 0.69 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 1wfn n GLY 100 N 1.24 2.76 3.04 2.59 0.00 -1.07 -4.81 105.19 108.94 1wfn n GLY 100 Ca -0.13 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.44 -3.80 1.61 7.27 -0.75 -4.67 117.38 114.61 1wfn n GLN 101 Ca 0.00 -0.72 -0.13 0.00 0.07 0.00 0.00 57.00 56.22 1wfn n GLN 101 Cb 0.00 -1.51 -0.11 0.00 2.41 0.00 0.00 30.24 31.03 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 0.02 -0.44 1.69 0.11 -1.26 -3.77 120.40 114.66 1wfn s VAL 102 Ca 0.39 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1wfn s VAL 102 Cb -0.07 -0.40 0.10 0.00 -1.53 0.00 0.00 36.38 34.48 1wfn s VAL 102 CO 0.37 -0.09 0.29 -0.44 -3.33 0.00 0.00 175.10 171.89 1wfn s SER 103 N -0.30 5.63 -0.28 3.54 0.01 0.16 -4.86 113.70 117.60 1wfn s SER 103 Ca -0.04 -1.73 -0.10 0.00 1.31 0.00 0.00 55.95 55.39 1wfn s SER 103 Cb -0.03 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 1wfn s SER 103 CO 0.01 -0.61 0.15 0.00 0.41 0.00 0.00 173.24 173.20 1wfn s ALA 104 N 1.37 3.35 -0.07 1.44 0.00 -1.25 -0.46 121.76 126.14 1wfn s ALA 104 Ca 0.05 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1wfn s ALA 104 Cb -0.24 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 1wfn s ALA 104 CO 0.00 -0.64 -0.21 -1.12 0.00 0.00 0.00 175.76 173.80 1wfn s SER 105 N 1.68 2.67 0.22 0.00 0.01 -0.61 -4.92 113.70 112.75 1wfn s SER 105 Ca 0.06 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1wfn s SER 105 Cb -0.16 -0.99 -0.08 0.00 0.21 0.00 0.00 66.02 65.00 1wfn s SER 105 CO 0.08 0.16 1.04 -0.89 0.41 0.00 0.00 173.24 174.04 1wfn s THR 106 N 0.19 3.88 -0.14 1.44 2.01 -1.26 -1.68 115.64 120.08 1wfn s THR 106 Ca -0.11 1.76 -0.09 0.00 0.31 0.00 0.00 61.69 63.56 1wfn s THR 106 Cb -0.15 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.29 1wfn s THR 106 CO 0.05 0.36 0.34 -0.51 -0.69 0.00 0.00 174.62 174.17 1wfn s ILE 107 N -0.73 -0.02 -0.26 1.82 1.10 0.51 -4.96 121.20 118.66 1wfn s ILE 107 Ca 0.45 0.08 -0.09 0.00 -0.51 0.00 0.00 60.65 60.58 1wfn s ILE 107 Cb -0.29 -0.50 -0.04 0.00 0.15 0.00 0.00 42.46 41.79 1wfn s ILE 107 CO 0.35 0.03 0.13 -0.55 -2.11 0.00 0.00 174.94 172.80 1wfn s SER 108 N 1.00 5.66 0.38 4.50 0.15 -1.26 0.16 113.70 124.29 1wfn s SER 108 Ca -0.07 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.31 1wfn s SER 108 Cb -0.07 -2.03 -0.15 0.00 -1.71 0.00 0.00 66.02 62.06 1wfn s SER 108 CO -0.08 -0.02 0.10 -1.54 1.20 0.00 0.00 173.24 172.90 1wfn n SER 109 N 4.83 -2.70 0.00 5.45 3.41 0.39 -4.83 113.62 120.16 1wfn n SER 109 Ca -0.15 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1wfn n SER 109 Cb 0.52 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1wfn n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 110 N 2.23 -2.30 3.64 5.00 0.00 0.50 -4.14 105.19 110.12 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 -0.02 1.61 0.11 0.24 -4.47 120.40 117.86 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 -0.16 4.37 0.40 1.54 0.04 -1.26 -3.90 135.00 136.03 1wfn s PRO 112 Ca 0.07 1.70 0.22 0.00 0.04 0.00 0.00 61.00 63.02 1wfn s PRO 112 Cb -0.04 -3.51 0.62 0.00 0.04 0.00 0.00 34.50 31.61 1wfn s PRO 112 CO -0.12 -0.40 1.69 -1.00 0.04 0.00 0.00 177.00 177.22 1wfn h PRO 113 N 7.30 0.00 -6.36 0.56 0.13 -2.01 -3.48 132.00 128.14 1wfn h PRO 113 Ca -0.36 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.38 1wfn h PRO 113 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 1wfn h PRO 113 CO 0.86 0.27 -1.15 0.45 -0.23 0.00 0.00 178.00 178.20 1wfn n SER 114 N -3.30 -5.08 -2.79 1.44 2.88 -1.26 -3.99 113.62 101.53 1wfn n SER 114 Ca 0.01 -0.25 -0.03 0.00 -1.33 0.00 0.00 58.87 57.27 1wfn n SER 114 Cb 0.53 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 62.46 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 -0.33 -3.41 3.77 0.46 0.00 -1.26 -4.99 105.19 99.43 1wfn n GLY 115 Ca -0.11 1.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.70 -0.04 0.18 1.61 0.04 -1.26 -5.09 135.00 129.73 1wfn s PRO 116 Ca -0.15 -0.16 0.07 0.00 0.04 0.00 0.00 61.00 60.80 1wfn s PRO 116 Cb 0.01 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1wfn s PRO 116 CO 0.54 -2.91 -0.14 -1.54 0.04 0.00 0.00 177.00 172.99 1wfn s SER 117 N -4.35 2.34 0.27 6.66 1.04 -1.26 -5.16 113.70 113.25 1wfn s SER 117 Ca 0.71 -0.98 0.07 0.00 0.48 0.00 0.00 55.95 56.23 1wfn s SER 117 Cb -0.08 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1wfn s SER 117 CO 0.54 -0.19 0.23 -0.55 0.98 0.00 0.00 173.24 174.25 1wfn s SER 118 N -3.14 5.49 0.00 7.02 0.15 -1.26 -5.29 113.70 116.68 1wfn s SER 118 Ca 0.19 -0.30 0.29 0.00 0.70 0.00 0.00 55.95 56.83 1wfn s SER 118 Cb -0.01 -1.31 1.36 0.00 -1.71 0.00 0.00 66.02 64.35 1wfn s SER 118 CO 0.05 -0.12 1.92 0.61 1.20 0.00 0.00 173.24 176.90