#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg s SER 2 N 0.00 4.16 -0.59 1.61 0.01 -1.26 -5.06 113.70 112.57 1wfg s SER 2 Ca 0.00 -3.13 -0.39 0.00 1.31 0.00 0.00 55.95 53.74 1wfg s SER 2 Cb 0.00 -1.45 -0.18 0.00 0.21 0.00 0.00 66.02 64.61 1wfg s SER 2 CO 0.00 -0.20 2.30 -1.20 0.41 0.00 0.00 173.24 174.55 1wfg n SER 3 N 2.92 0.96 -0.72 2.44 7.64 -1.26 -2.97 113.62 122.63 1wfg n SER 3 Ca 0.11 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1wfg n SER 3 Cb 0.34 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1wfg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 4 N 7.02 0.08 3.51 0.23 0.00 -1.26 -5.13 105.19 109.65 1wfg n GLY 4 Ca 0.54 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wfg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 5 N -0.72 -0.59 -0.30 1.61 1.04 -1.16 -5.13 113.70 108.45 1wfg s SER 5 Ca 0.00 0.86 -0.10 0.00 0.48 0.00 0.00 55.95 57.19 1wfg s SER 5 Cb 0.00 1.52 0.19 0.00 0.10 0.00 0.00 66.02 67.82 1wfg s SER 5 CO 0.00 -0.13 1.02 -0.94 0.98 0.00 0.00 173.24 174.17 1wfg s SER 6 N 2.03 -0.50 1.26 7.02 1.04 -1.26 -5.01 113.70 118.28 1wfg s SER 6 Ca -0.05 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1wfg s SER 6 Cb -0.05 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.39 1wfg s SER 6 CO -0.17 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wfg n GLY 7 N 5.17 1.47 4.86 7.32 0.00 -1.26 -4.88 105.19 117.87 1wfg n GLY 7 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wfg n GLY 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wfg n HIS 8 N 0.00 0.00 -4.46 1.61 -0.00 -1.26 -4.82 115.22 106.29 1wfg n HIS 8 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1wfg n HIS 8 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 1wfg n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wfg s SER 9 N 0.00 4.79 0.10 0.26 0.01 -1.26 -4.85 113.70 112.75 1wfg s SER 9 Ca 0.00 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1wfg s SER 9 Cb 0.00 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1wfg s SER 9 CO 0.00 0.24 0.00 1.57 0.41 0.00 0.00 173.24 175.46 1wfg n HIS 10 N 3.06 -2.56 -3.42 2.43 -0.00 -1.26 -5.03 115.22 108.44 1wfg n HIS 10 Ca -0.18 0.34 -0.40 0.00 -0.00 0.00 0.00 57.72 57.49 1wfg n HIS 10 Cb 0.53 1.16 -0.03 0.00 -0.00 0.00 0.00 29.99 31.65 1wfg n HIS 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1wfg n SER 11 N -2.83 5.01 -3.60 0.26 3.41 -1.26 -4.90 113.62 109.71 1wfg n SER 11 Ca 0.00 -3.16 -0.27 0.00 -0.26 0.00 0.00 58.87 55.17 1wfg n SER 11 Cb 0.00 -1.18 -0.10 0.00 -0.26 0.00 0.00 64.21 62.67 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfg n ASP 12 N 2.18 1.83 0.00 4.04 9.92 -1.26 -5.07 116.55 128.20 1wfg n ASP 12 Ca 0.24 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 1wfg n ASP 12 Cb 0.37 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1wfg n ASP 12 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1wfg n LYS 13 N 1.97 3.90 -1.92 -1.24 2.85 -1.26 -5.10 118.16 117.37 1wfg n LYS 13 Ca 0.25 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.13 1wfg n LYS 13 Cb 0.42 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.83 1wfg n LYS 13 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1wfg s HIS 14 N 1.68 2.42 -0.07 5.58 3.76 -1.26 -4.91 115.29 122.49 1wfg s HIS 14 Ca 0.00 1.43 0.24 0.00 -0.15 0.00 0.00 55.06 56.58 1wfg s HIS 14 Cb 0.00 -3.66 0.70 0.00 1.11 0.00 0.00 32.58 30.73 1wfg s HIS 14 CO 0.00 -2.50 1.73 -1.00 -0.85 0.00 0.00 174.74 172.12 1wfg h PRO 15 N 1.47 0.00 -6.18 8.40 0.13 -1.89 -3.43 132.00 130.49 1wfg h PRO 15 Ca -0.50 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.94 1wfg h PRO 15 Cb 1.29 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 1wfg h PRO 15 CO 0.57 0.18 -0.77 0.08 -0.23 0.00 0.00 178.00 177.83 1wfg s VAL 16 N -3.41 3.04 -0.10 1.56 1.01 -1.26 0.73 120.40 121.97 1wfg s VAL 16 Ca 0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wfg s VAL 16 Cb 0.08 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1wfg s VAL 16 CO 0.65 0.58 0.26 0.42 0.00 0.00 0.00 175.10 177.00 1wfg s THR 17 N -0.57 -0.02 -0.22 3.92 -4.23 -0.03 -4.98 115.64 109.49 1wfg s THR 17 Ca 0.08 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1wfg s THR 17 Cb -0.11 -0.38 0.06 0.00 1.34 0.00 0.00 72.50 73.41 1wfg s THR 17 CO 0.01 0.04 -0.00 0.26 -0.54 0.00 0.00 174.62 174.39 1wfg s TRP 18 N 0.86 1.74 0.05 3.99 0.52 -1.26 0.12 118.94 124.96 1wfg s TRP 18 Ca -0.06 -1.36 0.01 0.00 0.02 0.00 0.00 56.10 54.71 1wfg s TRP 18 Cb -0.07 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1wfg s TRP 18 CO -0.06 -0.71 -0.06 -0.65 0.02 0.00 0.00 176.95 175.49 1wfg s GLN 19 N 1.61 0.58 0.68 4.98 -1.52 0.29 -4.98 119.66 121.30 1wfg s GLN 19 Ca -0.02 -0.93 -0.12 0.00 -1.95 0.00 0.00 55.36 52.34 1wfg s GLN 19 Cb -0.18 -0.17 -0.00 0.00 -0.22 0.00 0.00 33.01 32.44 1wfg s GLN 19 CO -0.08 0.01 1.06 -1.25 -0.25 0.00 0.00 175.29 174.77 1wfg s PRO 20 N -2.34 3.01 0.68 2.91 0.04 -1.26 0.17 135.00 138.21 1wfg s PRO 20 Ca -0.04 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1wfg s PRO 20 Cb -0.05 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.66 1wfg s PRO 20 CO -0.02 -1.04 0.89 -1.13 0.04 0.00 0.00 177.00 175.74 1wfg n SER 21 N -2.95 -0.10 -0.20 6.66 3.41 0.06 -4.64 113.62 115.86 1wfg n SER 21 Ca 0.08 -1.29 -0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1wfg n SER 21 Cb 0.53 -0.69 0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1wfg n SER 21 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wfg h LYS 22 N 0.00 0.06 0.13 4.33 3.11 -1.97 -2.94 116.57 119.29 1wfg h LYS 22 Ca -0.29 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.54 1wfg h LYS 22 Cb 0.81 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1wfg h LYS 22 CO 0.20 0.04 -0.06 0.22 -2.81 0.00 0.00 179.45 177.04 1wfg h ASP 23 N 0.06 -0.15 0.00 4.20 1.82 -1.92 -3.49 116.42 116.95 1wfg h ASP 23 Ca 0.30 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1wfg h ASP 23 Cb 0.49 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1wfg h ASP 23 CO -0.56 -0.02 0.00 0.61 -1.61 0.00 0.00 179.24 177.66 1wfg n GLY 24 N 0.63 1.84 0.39 -0.78 0.00 -1.11 -4.96 105.19 101.19 1wfg n GLY 24 Ca -0.02 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 45.99 1wfg n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfg h ASP 25 N 2.00 0.55 -2.69 1.61 5.19 -1.88 -3.39 116.42 117.80 1wfg h ASP 25 Ca 0.00 0.08 -0.66 0.00 -0.62 0.00 0.00 57.03 55.82 1wfg h ASP 25 Cb 0.00 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.42 1wfg h ASP 25 CO 0.00 0.17 -0.45 -0.13 -3.12 0.00 0.00 179.24 175.71 1wfg s ARG 26 N -5.60 3.49 -0.33 3.56 1.81 -1.26 0.15 118.95 120.77 1wfg s ARG 26 Ca -0.09 -0.09 -0.08 0.00 -1.72 0.00 0.00 55.73 53.75 1wfg s ARG 26 Cb 0.24 -3.18 0.02 0.00 -0.45 0.00 0.00 34.95 31.59 1wfg s ARG 26 CO 0.79 0.76 0.12 -1.17 -0.68 0.00 0.00 175.30 175.12 1wfg s LEU 27 N -1.11 4.22 0.10 2.53 1.98 0.31 -0.76 118.68 125.95 1wfg s LEU 27 Ca 0.17 -0.94 -0.20 0.00 -2.89 0.00 0.00 54.13 50.27 1wfg s LEU 27 Cb -0.12 -1.91 -0.07 0.00 0.66 0.00 0.00 46.19 44.75 1wfg s LEU 27 CO 0.06 -0.29 0.61 -0.63 -1.89 0.00 0.00 176.35 174.22 1wfg s ILE 28 N 1.47 4.67 -0.02 6.68 -1.09 0.45 -0.38 121.20 132.97 1wfg s ILE 28 Ca 0.01 1.29 0.01 0.00 -2.23 0.00 0.00 60.65 59.73 1wfg s ILE 28 Cb -0.19 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1wfg s ILE 28 CO 0.04 0.52 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.41 1wfg s GLY 29 N -1.17 0.28 -0.30 6.18 0.00 0.57 0.10 107.32 112.98 1wfg s GLY 29 Ca 0.31 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.01 1wfg s GLY 29 CO 0.20 0.21 -0.01 -1.60 0.00 0.00 0.00 173.10 171.90 1wfg s ARG 30 N 0.47 1.72 0.32 2.90 3.52 0.32 0.14 118.95 128.34 1wfg s ARG 30 Ca -0.05 -1.59 -0.04 0.00 -0.13 0.00 0.00 55.73 53.91 1wfg s ARG 30 Cb -0.08 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 1wfg s ARG 30 CO -0.01 -0.79 0.58 0.42 -0.81 0.00 0.00 175.30 174.70 1wfg s ILE 31 N 1.04 5.02 -0.03 4.11 1.09 0.13 -0.85 121.20 131.71 1wfg s ILE 31 Ca 0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.57 1wfg s ILE 31 Cb -0.19 -3.77 0.03 0.00 -1.06 0.00 0.00 42.46 37.47 1wfg s ILE 31 CO -0.08 -0.41 0.00 -0.22 -0.10 0.00 0.00 174.94 174.13 1wfg s LEU 32 N -3.80 1.19 0.05 2.97 1.98 0.22 0.52 118.68 121.82 1wfg s LEU 32 Ca 0.44 -0.02 0.09 0.00 -2.89 0.00 0.00 54.13 51.74 1wfg s LEU 32 Cb -0.10 -0.21 -0.03 0.00 0.66 0.00 0.00 46.19 46.50 1wfg s LEU 32 CO 0.32 -0.10 -0.25 -0.76 -1.89 0.00 0.00 176.35 173.68 1wfg s LEU 33 N 0.99 2.18 0.40 -0.68 1.43 0.56 -4.45 118.68 119.11 1wfg s LEU 33 Ca -0.10 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1wfg s LEU 33 Cb -0.13 -1.18 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 1wfg s LEU 33 CO -0.02 0.22 0.02 0.21 0.23 0.00 0.00 176.35 177.01 1wfg s ASN 34 N -1.31 3.64 0.00 2.29 2.47 -1.26 0.28 114.94 121.05 1wfg s ASN 34 Ca 0.11 -1.37 0.00 0.00 0.42 0.00 0.00 52.86 52.02 1wfg s ASN 34 Cb -0.10 -0.35 0.00 0.00 -1.45 0.00 0.00 41.25 39.35 1wfg s ASN 34 CO 0.02 -0.47 0.00 0.29 -3.72 0.00 0.00 177.10 173.22 1wfg n LYS 35 N -0.92 0.00 -1.34 0.43 5.02 0.24 -4.86 118.16 116.72 1wfg n LYS 35 Ca -0.05 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.73 1wfg n LYS 35 Cb 0.67 -0.21 -0.06 0.00 -0.02 0.00 0.00 35.03 35.40 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfg n ARG 36 N -2.28 0.00 -0.25 1.97 1.74 -1.18 -4.70 116.66 111.95 1wfg n ARG 36 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1wfg n ARG 36 Cb 0.06 -1.26 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1wfg n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wfg n LEU 37 N 1.46 0.00 -0.21 0.55 4.77 -0.19 -4.69 117.00 118.69 1wfg n LEU 37 Ca 0.18 -0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 55.88 1wfg n LEU 37 Cb 0.11 -0.22 0.20 0.00 -2.33 0.00 0.00 43.42 41.18 1wfg n LEU 37 CO 0.54 -1.21 1.14 0.50 -1.33 0.00 0.00 177.39 177.03 1wfg h LYS 38 N 0.00 0.98 -0.58 3.23 1.63 -1.91 -1.92 116.57 118.00 1wfg h LYS 38 Ca -0.09 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1wfg h LYS 38 Cb 0.28 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1wfg h LYS 38 CO 0.06 0.73 0.28 -0.44 -3.45 0.00 0.00 179.45 176.63 1wfg h ASP 39 N 0.98 0.76 0.00 4.20 3.32 -2.01 -3.47 116.42 120.21 1wfg h ASP 39 Ca 0.25 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1wfg h ASP 39 Cb 0.04 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1wfg h ASP 39 CO -0.04 0.67 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 1wfg n GLY 40 N -0.94 0.66 3.63 2.75 0.00 -0.72 -5.15 105.19 105.42 1wfg n GLY 40 Ca 0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1wfg n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 41 N -0.35 -0.58 -0.02 1.61 0.01 -1.26 -4.84 113.70 108.26 1wfg s SER 41 Ca 0.00 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.08 1wfg s SER 41 Cb 0.00 1.14 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 1wfg s SER 41 CO 0.00 -0.19 1.19 -0.69 0.41 0.00 0.00 173.24 173.96 1wfg s VAL 42 N 0.30 4.23 1.08 3.43 1.01 -1.26 -1.02 120.40 128.17 1wfg s VAL 42 Ca 0.02 1.57 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 1wfg s VAL 42 Cb -0.05 -4.01 0.24 0.00 0.00 0.00 0.00 36.38 32.56 1wfg s VAL 42 CO -0.03 0.03 1.22 -2.16 0.00 0.00 0.00 175.10 174.16 1wfg s PRO 43 N 1.88 -0.30 0.57 2.72 0.04 -1.26 -4.85 135.00 133.80 1wfg s PRO 43 Ca 0.56 -0.24 0.38 0.00 0.04 0.00 0.00 61.00 61.74 1wfg s PRO 43 Cb -0.26 -1.72 1.47 0.00 0.04 0.00 0.00 34.50 34.03 1wfg s PRO 43 CO 0.24 -3.07 1.64 0.00 0.04 0.00 0.00 177.00 175.86 1wfg h ARG 44 N -2.11 0.00 0.00 4.56 2.47 -2.01 -3.36 114.38 113.92 1wfg h ARG 44 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1wfg h ARG 44 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1wfg h ARG 44 CO 0.36 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.49 1wfg n ASP 45 N -3.84 0.00 0.08 7.04 5.68 -1.26 -5.08 116.55 119.16 1wfg n ASP 45 Ca 0.28 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.53 1wfg n ASP 45 Cb 1.46 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 41.42 1wfg n ASP 45 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1wfg h SER 46 N 0.00 -0.22 -1.10 -1.12 0.87 -1.90 -3.45 113.55 106.62 1wfg h SER 46 Ca 0.00 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1wfg h SER 46 Cb 0.00 0.06 -0.20 0.00 -0.44 0.00 0.00 62.40 61.82 1wfg h SER 46 CO 0.00 0.04 -0.48 -0.83 -0.53 0.00 0.00 176.83 175.03 1wfg s GLY 47 N -2.48 -1.13 0.08 5.77 0.00 -1.26 -4.98 107.32 103.32 1wfg s GLY 47 Ca -0.04 0.01 -0.34 0.00 0.00 0.00 0.00 44.72 44.35 1wfg s GLY 47 CO 0.11 3.56 1.53 0.00 0.00 0.00 0.00 173.10 178.31 1wfg h ALA 48 N 6.77 -1.12 -0.11 3.20 0.00 -1.88 -1.52 119.26 124.60 1wfg h ALA 48 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wfg h ALA 48 Cb 1.16 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1wfg h ALA 48 CO 0.10 -1.16 0.00 -1.33 0.00 0.00 0.00 179.25 176.86 1wfg n MET 49 N -5.39 1.43 0.00 0.00 2.81 -1.26 -4.77 117.12 109.94 1wfg n MET 49 Ca -0.11 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1wfg n MET 49 Cb 0.44 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1wfg n MET 49 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wfg n LEU 50 N -0.11 0.00 0.00 4.03 7.99 -0.57 -2.75 117.00 125.58 1wfg n LEU 50 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1wfg n LEU 50 Cb 0.21 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 1wfg n LEU 50 CO 0.11 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 1wfg n GLY 51 N 0.00 0.26 3.98 -0.72 0.00 -1.26 -3.85 105.19 103.59 1wfg n GLY 51 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1wfg n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wfg s LEU 52 N 0.00 3.55 -0.03 0.99 -0.00 -1.11 -3.11 118.68 118.96 1wfg s LEU 52 Ca 0.00 -0.08 0.07 0.00 -0.00 0.00 0.00 54.13 54.12 1wfg s LEU 52 Cb 0.00 -2.86 -0.02 0.00 -0.00 0.00 0.00 46.19 43.32 1wfg s LEU 52 CO 0.00 -0.85 -0.25 -0.75 -0.00 0.00 0.00 176.35 174.49 1wfg s LYS 53 N -4.53 2.25 0.05 1.48 2.20 0.20 -4.87 119.74 116.52 1wfg s LYS 53 Ca 0.53 -0.91 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 1wfg s LYS 53 Cb -0.10 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.13 1wfg s LYS 53 CO 0.36 0.48 -0.14 0.08 -0.36 0.00 0.00 175.35 175.77 1wfg s VAL 54 N -0.42 3.12 -0.19 4.02 1.01 -1.26 -1.11 120.40 125.56 1wfg s VAL 54 Ca 0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1wfg s VAL 54 Cb -0.11 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.96 1wfg s VAL 54 CO 0.01 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.69 1wfg s VAL 55 N -1.00 1.07 0.00 2.92 1.01 -0.89 -4.93 120.40 118.57 1wfg s VAL 55 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1wfg s VAL 55 Cb -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1wfg s VAL 55 CO 0.07 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1wfg n GLY 56 N 4.87 2.78 2.23 4.51 0.00 -1.26 -1.78 105.19 116.53 1wfg n GLY 56 Ca -0.11 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1wfg n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfg n GLY 57 N 5.00 1.19 3.69 -0.02 0.00 -1.12 -4.30 105.19 109.63 1wfg n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wfg n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfg s LYS 58 N -2.96 4.38 -0.32 1.61 2.20 -1.16 -4.71 119.74 118.77 1wfg s LYS 58 Ca 0.00 1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 1wfg s LYS 58 Cb 0.00 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1wfg s LYS 58 CO 0.00 -0.39 1.19 -1.64 -0.36 0.00 0.00 175.35 174.15 1wfg s MET 59 N 1.95 3.98 0.00 4.03 -1.94 -1.26 -2.41 119.30 123.65 1wfg s MET 59 Ca 0.56 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.67 1wfg s MET 59 Cb -0.25 -3.81 0.00 0.00 2.01 0.00 0.00 34.83 32.77 1wfg s MET 59 CO 0.23 -1.03 0.00 0.25 -0.01 0.00 0.00 175.02 174.46 1wfg n THR 60 N 6.08 0.00 1.12 2.05 -2.24 -0.47 -4.96 114.28 115.86 1wfg n THR 60 Ca 0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1wfg n THR 60 Cb 0.47 -1.68 0.33 0.00 -2.10 0.00 0.00 70.33 67.35 1wfg n THR 60 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfg n GLU 61 N -0.76 1.77 -0.10 -0.78 0.28 -1.26 -3.40 120.64 116.39 1wfg n GLU 61 Ca 0.00 -1.17 0.03 0.00 -0.16 0.00 0.00 57.16 55.86 1wfg n GLU 61 Cb 0.00 -1.38 0.08 0.00 1.43 0.00 0.00 31.44 31.58 1wfg n GLU 61 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wfg n SER 62 N 0.40 2.49 -0.97 -1.84 2.88 -1.26 -4.95 113.62 110.38 1wfg n SER 62 Ca 0.15 -1.98 -0.12 0.00 -1.33 0.00 0.00 58.87 55.59 1wfg n SER 62 Cb 0.33 -0.13 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 63 N 0.07 1.25 3.87 0.46 0.00 -1.22 -4.99 105.19 104.63 1wfg n GLY 63 Ca 0.06 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1wfg n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 64 N -3.13 2.32 -0.02 1.61 0.52 -1.26 -4.89 118.95 114.10 1wfg s ARG 64 Ca 0.00 -1.86 0.03 0.00 -0.52 0.00 0.00 55.73 53.39 1wfg s ARG 64 Cb 0.00 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 1wfg s ARG 64 CO 0.00 -0.43 -0.11 -0.51 0.02 0.00 0.00 175.30 174.27 1wfg s LEU 65 N -4.19 2.93 0.02 2.53 1.43 -1.26 -1.37 118.68 118.79 1wfg s LEU 65 Ca 0.39 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 1wfg s LEU 65 Cb -0.02 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1wfg s LEU 65 CO 0.23 0.32 0.40 0.00 0.23 0.00 0.00 176.35 177.53 1wfg s ALA 67 N -2.15 3.72 -0.08 0.00 0.00 -1.26 -3.01 121.76 118.99 1wfg s ALA 67 Ca -0.07 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 1wfg s ALA 67 Cb -0.02 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.57 1wfg s ALA 67 CO -0.00 0.72 0.36 -0.06 0.00 0.00 0.00 175.76 176.77 1wfg s PHE 68 N -1.50 -0.31 0.14 0.00 0.08 -0.74 -2.79 117.98 112.86 1wfg s PHE 68 Ca 0.31 0.67 -0.31 0.00 0.12 0.00 0.00 56.93 57.72 1wfg s PHE 68 Cb -0.12 0.13 -0.09 0.00 -0.57 0.00 0.00 43.02 42.37 1wfg s PHE 68 CO 0.24 -0.30 1.42 0.42 -0.10 0.00 0.00 175.22 176.90 1wfg s ILE 69 N -0.56 3.12 -0.26 0.64 1.01 -0.61 -2.10 121.20 122.44 1wfg s ILE 69 Ca -0.07 0.82 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 1wfg s ILE 69 Cb -0.04 -3.53 -0.12 0.00 0.01 0.00 0.00 42.46 38.79 1wfg s ILE 69 CO 0.03 0.08 -0.31 0.35 0.00 0.00 0.00 174.94 175.09 1wfg n THR 70 N 3.67 1.52 -3.78 2.92 -2.24 -0.27 -1.56 114.28 114.54 1wfg n THR 70 Ca 0.11 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1wfg n THR 70 Cb 0.41 -1.97 -0.10 0.00 -2.10 0.00 0.00 70.33 66.58 1wfg n THR 70 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wfg s LYS 71 N -2.55 0.45 -0.17 -0.78 2.20 -1.24 -4.68 119.74 112.99 1wfg s LYS 71 Ca -0.36 0.13 -0.03 0.00 -0.36 0.00 0.00 55.97 55.34 1wfg s LYS 71 Cb 0.12 0.21 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1wfg s LYS 71 CO 0.49 -0.09 0.03 0.54 -0.36 0.00 0.00 175.35 175.96 1wfg s VAL 72 N -0.48 0.44 0.31 4.02 0.11 -1.26 0.60 120.40 124.14 1wfg s VAL 72 Ca -0.06 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 1wfg s VAL 72 Cb -0.04 -0.89 -0.13 0.00 -1.53 0.00 0.00 36.38 33.80 1wfg s VAL 72 CO 0.02 -0.12 1.24 1.17 -3.33 0.00 0.00 175.10 174.08 1wfg n LYS 73 N 5.09 1.90 -2.99 1.54 3.00 -1.18 -4.90 118.16 120.62 1wfg n LYS 73 Ca -0.08 0.67 -0.43 0.00 -0.00 0.00 0.00 58.31 58.46 1wfg n LYS 73 Cb 0.48 -2.21 -0.05 0.00 0.00 0.00 0.00 35.03 33.25 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wfg s LYS 74 N -1.51 3.16 0.00 1.64 2.47 -1.26 -3.71 119.74 120.53 1wfg s LYS 74 Ca 0.59 -0.77 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 1wfg s LYS 74 Cb -0.62 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 31.60 1wfg s LYS 74 CO 0.59 -1.49 0.00 0.41 0.16 0.00 0.00 175.35 175.02 1wfg n GLY 75 N 5.21 1.96 1.90 5.54 0.00 -1.26 -5.07 105.19 113.47 1wfg n GLY 75 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1wfg n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 76 N 0.00 2.15 0.26 1.61 7.64 -1.24 -4.89 113.62 119.14 1wfg n SER 76 Ca 0.00 -2.19 -0.17 0.00 1.01 0.00 0.00 58.87 57.52 1wfg n SER 76 Cb 0.00 0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 63.44 1wfg n SER 76 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wfg h LEU 77 N 0.00 -1.19 -5.49 -3.43 -0.00 -1.90 0.44 115.31 103.74 1wfg h LEU 77 Ca -0.21 0.10 -0.67 0.00 -0.00 0.00 0.00 57.88 57.10 1wfg h LEU 77 Cb 0.68 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1wfg h LEU 77 CO 0.34 -0.59 3.44 0.00 -0.00 0.00 0.00 178.44 181.63 1wfg n ALA 78 N -2.75 6.42 0.00 1.53 0.00 -1.26 0.47 120.51 124.92 1wfg n ALA 78 Ca -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.76 1wfg n ALA 78 Cb 0.42 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.44 1wfg n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wfg n ASP 79 N 4.79 0.00 0.05 0.00 2.03 -1.10 -4.22 116.55 118.11 1wfg n ASP 79 Ca 0.65 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.99 1wfg n ASP 79 Cb 0.30 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.63 1wfg n ASP 79 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1wfg n THR 80 N 0.00 1.05 -0.04 5.18 -2.24 0.15 -2.17 114.28 116.21 1wfg n THR 80 Ca 0.00 -0.66 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 1wfg n THR 80 Cb 0.00 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 67.55 1wfg n THR 80 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wfg n VAL 81 N -2.83 0.46 -0.02 2.28 0.31 -0.05 -4.72 118.33 113.75 1wfg n VAL 81 Ca -0.07 -0.21 -0.17 0.00 -0.01 0.00 0.00 64.34 63.88 1wfg n VAL 81 Cb 0.77 -0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 32.76 1wfg n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfg n GLY 82 N 2.96 -0.68 3.23 2.92 0.00 0.18 -4.55 105.19 109.25 1wfg n GLY 82 Ca -0.13 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1wfg n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wfg n HIS 83 N -3.31 -2.07 -0.53 1.61 -0.00 -0.92 -4.72 115.22 105.28 1wfg n HIS 83 Ca -0.29 0.60 -0.00 0.00 -0.00 0.00 0.00 57.72 58.03 1wfg n HIS 83 Cb 1.05 -4.18 0.00 0.00 -0.00 0.00 0.00 29.99 26.86 1wfg n HIS 83 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1wfg n LEU 84 N -4.14 0.00 -3.61 2.41 4.77 -1.26 -4.89 117.00 110.29 1wfg n LEU 84 Ca -0.07 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1wfg n LEU 84 Cb 0.59 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1wfg n LEU 84 CO 0.53 -0.98 0.39 -0.13 -1.33 0.00 0.00 177.39 175.87 1wfg s ARG 85 N -3.02 0.87 -0.86 3.23 3.00 -1.26 -4.85 118.95 116.06 1wfg s ARG 85 Ca 0.00 0.75 -0.25 0.00 0.00 0.00 0.00 55.73 56.23 1wfg s ARG 85 Cb -0.00 0.42 0.00 0.00 0.00 0.00 0.00 34.95 35.37 1wfg s ARG 85 CO 0.00 -0.16 1.65 -1.25 0.00 0.00 0.00 175.30 175.54 1wfg s PRO 86 N -0.09 3.02 0.00 3.54 0.04 -1.26 -2.69 135.00 137.56 1wfg s PRO 86 Ca -0.03 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1wfg s PRO 86 Cb -0.04 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.61 1wfg s PRO 86 CO 0.03 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1wfg n GLY 87 N 6.41 0.50 3.61 0.56 0.00 -0.60 -4.89 105.19 110.79 1wfg n GLY 87 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1wfg n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfg s ASP 88 N 0.00 2.20 -0.32 1.61 1.01 -1.10 -4.71 116.67 115.36 1wfg s ASP 88 Ca 0.00 1.46 -0.01 0.00 0.71 0.00 0.00 52.55 54.71 1wfg s ASP 88 Cb 0.00 -2.15 0.07 0.00 1.01 0.00 0.00 42.92 41.85 1wfg s ASP 88 CO 0.00 -3.44 0.02 -0.70 0.21 0.00 0.00 175.17 171.27 1wfg s GLU 89 N -4.74 2.24 -0.36 8.23 2.12 -1.26 -1.57 118.70 123.35 1wfg s GLU 89 Ca 0.66 -1.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.27 1wfg s GLU 89 Cb -0.21 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1wfg s GLU 89 CO 0.60 -0.72 1.62 0.08 -0.54 0.00 0.00 175.26 176.30 1wfg s VAL 90 N 1.18 3.68 -0.06 3.70 1.01 -1.12 -2.49 120.40 126.30 1wfg s VAL 90 Ca -0.02 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1wfg s VAL 90 Cb -0.20 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1wfg s VAL 90 CO -0.03 -0.56 0.64 -0.07 0.00 0.00 0.00 175.10 175.08 1wfg h LEU 91 N 12.91 -0.26 -8.72 3.92 3.38 0.16 -3.40 115.31 123.30 1wfg h LEU 91 Ca -0.31 -0.18 -0.38 0.00 0.09 0.00 0.00 57.88 57.11 1wfg h LEU 91 Cb 1.14 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 1wfg h LEU 91 CO 1.05 0.25 -0.73 -1.61 0.09 0.00 0.00 178.44 177.50 1wfg s GLU 92 N -3.05 1.14 -0.33 1.13 2.02 -1.21 0.73 118.70 119.13 1wfg s GLU 92 Ca -0.09 -1.47 -0.01 0.00 0.02 0.00 0.00 54.97 53.42 1wfg s GLU 92 Cb 0.00 -0.82 0.11 0.00 0.10 0.00 0.00 34.13 33.53 1wfg s GLU 92 CO 0.32 0.12 0.15 -0.46 0.02 0.00 0.00 175.26 175.41 1wfg s TRP 93 N -3.07 1.19 -0.73 1.61 -0.11 0.23 -1.30 118.94 116.76 1wfg s TRP 93 Ca 0.18 -1.60 0.00 0.00 1.22 0.00 0.00 56.10 55.90 1wfg s TRP 93 Cb 0.01 -1.37 0.00 0.00 -1.50 0.00 0.00 33.47 30.60 1wfg s TRP 93 CO 0.03 -0.84 0.00 -1.71 -4.62 0.00 0.00 176.95 169.81 1wfg n ASN 94 N 4.59 -3.82 0.00 5.86 2.85 0.60 -2.25 115.26 123.10 1wfg n ASN 94 Ca 0.01 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1wfg n ASN 94 Cb 0.40 -1.93 0.00 0.00 1.24 0.00 0.00 39.78 39.49 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wfg n GLY 95 N -2.14 0.41 3.55 8.20 0.00 -1.24 -4.80 105.19 109.17 1wfg n GLY 95 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1wfg n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 96 N -0.76 3.53 0.19 1.61 1.81 -0.95 -5.01 118.95 119.37 1wfg s ARG 96 Ca 0.00 -0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.65 1wfg s ARG 96 Cb 0.00 -3.87 -0.09 0.00 -0.45 0.00 0.00 34.95 30.54 1wfg s ARG 96 CO 0.00 -0.90 1.38 -1.17 -0.68 0.00 0.00 175.30 173.92 1wfg s LEU 97 N 2.92 4.40 -0.03 2.53 2.96 -1.26 0.74 118.68 130.93 1wfg s LEU 97 Ca 0.26 2.47 0.19 0.00 -0.22 0.00 0.00 54.13 56.84 1wfg s LEU 97 Cb -0.14 -3.61 -0.22 0.00 0.50 0.00 0.00 46.19 42.72 1wfg s LEU 97 CO 0.18 -0.62 0.53 0.18 -1.32 0.00 0.00 176.35 175.29 1wfg n LEU 98 N 2.91 0.34 -4.59 -0.68 4.77 0.22 -4.62 117.00 115.35 1wfg n LEU 98 Ca 0.08 0.14 -0.45 0.00 -0.03 0.00 0.00 56.01 55.75 1wfg n LEU 98 Cb 0.42 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1wfg n LEU 98 CO 0.59 0.16 1.75 0.00 -1.33 0.00 0.00 177.39 178.56 1wfg n GLN 99 N -2.62 1.95 0.00 3.23 6.02 -1.23 -0.35 117.38 124.38 1wfg n GLN 99 Ca -0.13 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1wfg n GLN 99 Cb 0.81 -2.95 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1wfg n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfg n GLY 100 N 5.52 2.91 3.66 1.08 0.00 0.38 -4.97 105.19 113.77 1wfg n GLY 100 Ca 0.30 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg n ALA 101 N 0.00 0.78 -1.39 4.61 0.00 0.52 -4.64 120.51 120.39 1wfg n ALA 101 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 1wfg n ALA 101 Cb 0.00 -2.18 0.18 0.00 0.00 0.00 0.00 19.45 17.46 1wfg n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wfg s THR 102 N -1.16 1.87 0.37 0.00 -4.23 -1.26 -2.78 115.64 108.45 1wfg s THR 102 Ca 0.59 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 1wfg s THR 102 Cb -0.57 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 70.87 1wfg s THR 102 CO 0.59 0.00 2.03 0.15 -0.54 0.00 0.00 174.62 176.85 1wfg h PHE 103 N -1.94 0.69 0.03 3.99 3.57 -1.85 -0.84 116.94 120.59 1wfg h PHE 103 Ca -0.48 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 60.85 1wfg h PHE 103 Cb 1.30 -0.23 0.02 0.00 2.79 0.00 0.00 35.95 39.83 1wfg h PHE 103 CO -0.72 0.44 -0.72 0.93 -2.23 0.00 0.00 178.31 176.00 1wfg h GLU 104 N 0.75 0.44 0.47 1.11 5.08 -1.92 -3.00 114.58 117.51 1wfg h GLU 104 Ca 0.20 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1wfg h GLU 104 Cb -0.08 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1wfg h GLU 104 CO -0.04 1.17 -0.51 0.93 -1.00 0.00 0.00 179.01 179.55 1wfg h GLU 105 N -0.06 -0.95 -0.77 2.33 5.08 -1.79 1.16 114.58 119.57 1wfg h GLU 105 Ca -0.10 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1wfg h GLU 105 Cb 1.44 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 30.79 1wfg h GLU 105 CO 0.14 -0.64 0.14 0.28 -1.00 0.00 0.00 179.01 177.93 1wfg h VAL 106 N -0.99 0.42 0.18 3.13 2.07 -1.29 0.34 116.25 120.10 1wfg h VAL 106 Ca -0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1wfg h VAL 106 Cb 0.87 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1wfg h VAL 106 CO -0.09 0.04 -0.08 0.22 0.02 0.00 0.00 177.57 177.68 1wfg h TYR 107 N 0.21 -0.22 -0.65 1.57 5.03 -1.22 -2.82 116.97 118.87 1wfg h TYR 107 Ca 0.44 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.88 1wfg h TYR 107 Cb 0.80 0.07 -0.10 0.00 1.55 0.00 0.00 36.73 39.05 1wfg h TYR 107 CO -0.31 0.04 0.08 -0.91 -1.32 0.00 0.00 178.16 175.74 1wfg h ASN 108 N -0.46 -0.12 -0.09 -2.11 2.35 0.30 0.11 115.58 115.56 1wfg h ASN 108 Ca -0.02 0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1wfg h ASN 108 Cb 0.35 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1wfg h ASN 108 CO 0.04 -0.06 -0.24 0.40 -1.65 0.00 0.00 177.43 175.92 1wfg h ILE 109 N 0.20 0.00 -0.58 2.81 2.04 -0.27 1.50 117.51 123.21 1wfg h ILE 109 Ca 0.35 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.38 1wfg h ILE 109 Cb 0.57 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1wfg h ILE 109 CO -0.49 0.00 0.52 0.40 0.00 0.00 0.00 178.15 178.58 1wfg h ILE 110 N -0.24 0.45 0.00 -0.67 2.04 -1.11 1.58 117.51 119.57 1wfg h ILE 110 Ca 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 1wfg h ILE 110 Cb 0.29 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1wfg h ILE 110 CO -0.21 0.00 -0.67 0.25 0.00 0.00 0.00 178.15 177.52 1wfg h LEU 111 N 0.00 0.00 0.00 1.44 5.85 0.26 -2.95 115.31 119.91 1wfg h LEU 111 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1wfg h LEU 111 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1wfg h LEU 111 CO -0.00 0.67 -0.12 -0.62 -0.34 0.00 0.00 178.44 178.03 1wfg n GLU 112 N -3.40 0.22 -0.46 1.25 1.02 0.52 -2.94 120.64 116.85 1wfg n GLU 112 Ca 0.00 0.15 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 1wfg n GLU 112 Cb 0.75 -1.73 0.31 0.00 -0.02 0.00 0.00 31.44 30.75 1wfg n GLU 112 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfg n SER 113 N -2.09 3.96 0.11 1.62 7.64 -0.21 -4.33 113.62 120.32 1wfg n SER 113 Ca 0.05 -2.24 -0.13 0.00 1.01 0.00 0.00 58.87 57.56 1wfg n SER 113 Cb 0.41 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wfg h LYS 114 N 3.71 -0.27 -0.01 1.43 1.57 -1.55 -3.18 116.57 118.26 1wfg h LYS 114 Ca 0.00 0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 1wfg h LYS 114 Cb 1.14 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1wfg h LYS 114 CO 0.13 0.03 -0.79 -1.00 -0.57 0.00 0.00 179.45 177.24 1wfg h PRO 115 N -0.57 0.16 -6.12 3.15 0.13 -1.83 -3.46 132.00 123.46 1wfg h PRO 115 Ca -0.03 -0.15 -0.62 0.00 -0.87 0.00 0.00 66.00 64.33 1wfg h PRO 115 Cb 0.42 0.04 0.15 0.00 0.13 0.00 0.00 31.00 31.74 1wfg h PRO 115 CO 0.05 0.87 -0.73 0.39 -0.23 0.00 0.00 178.00 178.34 1wfg n GLU 116 N -3.70 0.20 0.03 0.86 1.02 -1.20 -4.88 120.64 112.96 1wfg n GLU 116 Ca -0.03 0.07 -0.18 0.00 -0.02 0.00 0.00 57.16 57.01 1wfg n GLU 116 Cb 0.75 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.91 1wfg n GLU 116 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wfg h PRO 117 N 0.51 0.68 0.00 3.49 0.13 -1.89 -3.45 132.00 131.47 1wfg h PRO 117 Ca -0.38 -0.66 -0.43 0.00 -0.87 0.00 0.00 66.00 63.66 1wfg h PRO 117 Cb 1.43 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.63 1wfg h PRO 117 CO 0.49 1.26 -0.37 0.00 -0.23 0.00 0.00 178.00 179.15 1wfg n GLN 118 N -3.86 0.64 -3.27 0.86 10.64 -1.26 0.79 117.38 121.92 1wfg n GLN 118 Ca -0.09 -2.71 -0.04 0.00 -1.83 0.00 0.00 57.00 52.32 1wfg n GLN 118 Cb 0.83 1.51 -0.05 0.00 -0.86 0.00 0.00 30.24 31.67 1wfg n GLN 118 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1wfg s VAL 119 N -2.77 -0.75 -0.56 -0.39 0.11 0.80 -4.90 120.40 111.95 1wfg s VAL 119 Ca 0.17 -0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 1wfg s VAL 119 Cb 0.01 -0.92 0.07 0.00 -1.53 0.00 0.00 36.38 34.01 1wfg s VAL 119 CO 0.12 -0.12 0.74 -0.70 -3.33 0.00 0.00 175.10 171.81 1wfg s GLU 120 N 2.65 3.13 0.48 1.54 2.12 -1.26 0.21 118.70 127.57 1wfg s GLU 120 Ca 0.14 -0.89 -0.01 0.00 0.36 0.00 0.00 54.97 54.57 1wfg s GLU 120 Cb -0.14 -4.15 -0.00 0.00 0.26 0.00 0.00 34.13 30.10 1wfg s GLU 120 CO -0.21 -1.42 0.72 -0.51 -0.54 0.00 0.00 175.26 173.29 1wfg s LEU 121 N 3.05 3.56 -0.11 2.70 1.43 0.18 0.22 118.68 129.71 1wfg s LEU 121 Ca 0.18 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1wfg s LEU 121 Cb -0.19 -3.23 0.04 0.00 0.03 0.00 0.00 46.19 42.84 1wfg s LEU 121 CO 0.11 -0.78 0.27 -0.69 0.23 0.00 0.00 176.35 175.49 1wfg s VAL 122 N -2.64 -0.02 0.09 -1.59 1.01 -0.42 0.19 120.40 117.02 1wfg s VAL 122 Ca 0.50 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.61 1wfg s VAL 122 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1wfg s VAL 122 CO 0.39 0.04 -0.12 0.68 0.00 0.00 0.00 175.10 176.09 1wfg s VAL 123 N 0.86 1.08 -0.18 2.92 -7.23 0.37 0.18 120.40 118.40 1wfg s VAL 123 Ca -0.06 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1wfg s VAL 123 Cb -0.07 -1.28 0.08 0.00 0.56 0.00 0.00 36.38 35.67 1wfg s VAL 123 CO -0.06 -0.41 0.19 -0.55 -0.31 0.00 0.00 175.10 173.97 1wfg s SER 124 N -2.19 1.43 0.30 4.85 0.15 -1.04 0.21 113.70 117.42 1wfg s SER 124 Ca 0.03 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.56 1wfg s SER 124 Cb -0.06 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1wfg s SER 124 CO 0.02 -0.32 0.25 0.00 1.20 0.00 0.00 173.24 174.39 1wfg s ARG 125 N 2.29 2.82 -0.37 5.44 3.03 0.48 -4.45 118.95 128.20 1wfg s ARG 125 Ca 0.05 -1.19 -0.13 0.00 2.03 0.00 0.00 55.73 56.49 1wfg s ARG 125 Cb -0.15 -2.52 -0.00 0.00 -1.03 0.00 0.00 34.95 31.25 1wfg s ARG 125 CO -0.11 0.23 0.26 -1.54 -1.13 0.00 0.00 175.30 173.01 1wfg s SER 126 N -3.93 6.04 0.31 -2.89 1.04 -1.26 0.11 113.70 113.13 1wfg s SER 126 Ca 0.37 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1wfg s SER 126 Cb -0.07 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1wfg s SER 126 CO 0.26 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1wfg n GLY 127 N 5.12 -1.30 3.64 7.32 0.00 0.40 -4.92 105.19 115.45 1wfg n GLY 127 Ca -0.12 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1wfg n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfg s PRO 128 N -0.94 4.02 -0.33 1.61 0.04 -1.26 -4.88 135.00 133.26 1wfg s PRO 128 Ca 0.00 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1wfg s PRO 128 Cb 0.00 -3.85 0.08 0.00 0.04 0.00 0.00 34.50 30.77 1wfg s PRO 128 CO 0.00 -0.98 0.03 -1.12 0.04 0.00 0.00 177.00 174.97 1wfg s SER 129 N 2.61 4.83 -0.30 6.66 0.01 -1.26 -4.80 113.70 121.46 1wfg s SER 129 Ca 0.57 -1.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 1wfg s SER 129 Cb -0.19 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1wfg s SER 129 CO 0.20 -0.34 0.02 -0.24 0.41 0.00 0.00 173.24 173.30 1wfg n SER 130 N 4.46 -7.29 0.00 2.44 2.88 -1.26 -5.19 113.62 109.65 1wfg n SER 130 Ca -0.06 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1wfg n SER 130 Cb 0.42 -5.31 0.00 0.00 -0.75 0.00 0.00 64.21 58.58 1wfg n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42