#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg n SER 2 N 0.00 -7.01 -4.11 1.61 2.88 -1.26 -5.03 113.62 100.70 1wfg n SER 2 Ca 0.00 0.66 -0.31 0.00 -1.33 0.00 0.00 58.87 57.89 1wfg n SER 2 Cb 0.00 -4.68 -0.16 0.00 -0.75 0.00 0.00 64.21 58.62 1wfg n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfg s SER 3 N -2.07 2.90 0.00 -3.46 1.04 -1.26 -4.78 113.70 106.06 1wfg s SER 3 Ca 0.15 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1wfg s SER 3 Cb -0.04 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1wfg s SER 3 CO 0.65 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.50 1wfg n GLY 4 N 4.37 2.62 3.34 7.32 0.00 -1.26 -4.99 105.19 116.59 1wfg n GLY 4 Ca -0.19 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1wfg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfg s SER 5 N 0.00 3.29 -0.18 1.61 0.15 -1.26 -5.12 113.70 112.19 1wfg s SER 5 Ca 0.00 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 1wfg s SER 5 Cb 0.00 -0.61 0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1wfg s SER 5 CO 0.00 0.30 0.45 -0.94 1.20 0.00 0.00 173.24 174.25 1wfg s SER 6 N -0.49 -0.53 0.00 5.45 1.04 -1.26 -4.87 113.70 113.04 1wfg s SER 6 Ca 0.06 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1wfg s SER 6 Cb -0.11 0.88 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1wfg s SER 6 CO 0.01 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1wfg n GLY 7 N 3.68 1.73 3.88 7.32 0.00 -1.26 -5.14 105.19 115.40 1wfg n GLY 7 Ca -0.19 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1wfg n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfg s HIS 8 N 0.00 3.45 0.16 1.61 -0.00 -1.26 -5.10 115.29 114.15 1wfg s HIS 8 Ca 0.00 0.92 0.08 0.00 -0.00 0.00 0.00 55.06 56.06 1wfg s HIS 8 Cb 0.00 -2.33 -0.04 0.00 -0.00 0.00 0.00 32.58 30.21 1wfg s HIS 8 CO 0.00 0.07 -0.17 0.45 -0.00 0.00 0.00 174.74 175.10 1wfg s SER 9 N -2.87 2.52 -0.04 7.38 0.15 -1.26 -5.08 113.70 114.49 1wfg s SER 9 Ca 0.49 -0.88 -0.38 0.00 0.70 0.00 0.00 55.95 55.88 1wfg s SER 9 Cb -0.11 -0.13 -0.17 0.00 -1.71 0.00 0.00 66.02 63.90 1wfg s SER 9 CO 0.27 -0.08 1.41 0.00 1.20 0.00 0.00 173.24 176.04 1wfg n HIS 10 N 0.24 1.53 -2.75 3.44 -0.00 -1.26 -4.90 115.22 111.51 1wfg n HIS 10 Ca -0.13 0.70 -0.04 0.00 -0.00 0.00 0.00 57.72 58.25 1wfg n HIS 10 Cb 0.58 -2.32 0.01 0.00 -0.00 0.00 0.00 29.99 28.26 1wfg n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wfg n SER 11 N 3.11 -3.22 -3.55 4.39 2.88 -1.26 -5.06 113.62 110.91 1wfg n SER 11 Ca 0.21 -2.72 -0.27 0.00 -1.33 0.00 0.00 58.87 54.76 1wfg n SER 11 Cb 0.15 1.65 -0.10 0.00 -0.75 0.00 0.00 64.21 65.15 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wfg n ASP 12 N 2.84 1.38 -3.45 -3.46 9.92 -1.26 -4.99 116.55 117.54 1wfg n ASP 12 Ca 0.17 -2.85 -0.27 0.00 -0.53 0.00 0.00 54.79 51.31 1wfg n ASP 12 Cb 0.57 -0.65 -0.10 0.00 -0.64 0.00 0.00 41.12 40.30 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wfg s LYS 13 N -0.97 1.01 0.47 -1.24 -0.14 -1.26 -5.12 119.74 112.49 1wfg s LYS 13 Ca 0.31 -2.15 -0.20 0.00 -1.36 0.00 0.00 55.97 52.58 1wfg s LYS 13 Cb 0.04 -1.59 -0.13 0.00 -1.68 0.00 0.00 37.83 34.47 1wfg s LYS 13 CO -0.15 -1.36 0.24 0.72 -0.76 0.00 0.00 175.35 174.03 1wfg n HIS 14 N 2.89 -1.62 0.05 3.18 8.25 -1.26 -4.88 115.22 121.83 1wfg n HIS 14 Ca 0.27 0.53 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 1wfg n HIS 14 Cb 0.46 -1.84 -0.03 0.00 1.12 0.00 0.00 29.99 29.69 1wfg n HIS 14 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wfg h PRO 15 N 0.32 0.47 -6.13 -0.41 0.13 -1.94 -3.45 132.00 121.00 1wfg h PRO 15 Ca -0.41 -0.45 -0.57 0.00 -0.87 0.00 0.00 66.00 63.70 1wfg h PRO 15 Cb 1.43 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.62 1wfg h PRO 15 CO 0.47 1.10 -0.53 0.14 -0.23 0.00 0.00 178.00 178.95 1wfg s VAL 16 N -3.42 4.84 -0.18 1.56 -7.23 -1.26 -2.95 120.40 111.77 1wfg s VAL 16 Ca -0.06 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1wfg s VAL 16 Cb 0.09 -3.47 0.08 0.00 0.56 0.00 0.00 36.38 33.65 1wfg s VAL 16 CO 0.87 -0.08 0.38 0.42 -0.31 0.00 0.00 175.10 176.38 1wfg s THR 17 N -1.71 -0.58 -0.37 5.32 -4.23 -0.06 -4.97 115.64 109.04 1wfg s THR 17 Ca 0.32 0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 60.94 1wfg s THR 17 Cb -0.11 -0.61 0.04 0.00 1.34 0.00 0.00 72.50 73.16 1wfg s THR 17 CO 0.25 0.08 0.17 0.26 -0.54 0.00 0.00 174.62 174.85 1wfg s TRP 18 N 2.54 3.26 0.06 3.99 0.52 -1.26 -0.20 118.94 127.85 1wfg s TRP 18 Ca -0.01 -1.22 0.03 0.00 0.02 0.00 0.00 56.10 54.92 1wfg s TRP 18 Cb -0.12 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 1wfg s TRP 18 CO -0.12 -0.71 -0.10 -0.65 0.02 0.00 0.00 176.95 175.39 1wfg s GLN 19 N 1.48 0.68 0.66 4.98 1.11 0.33 -4.98 119.66 123.91 1wfg s GLN 19 Ca 0.01 -0.89 -0.12 0.00 0.01 0.00 0.00 55.36 54.36 1wfg s GLN 19 Cb -0.20 -0.51 -0.01 0.00 -1.01 0.00 0.00 33.01 31.28 1wfg s GLN 19 CO 0.05 0.10 1.06 -1.25 0.01 0.00 0.00 175.29 175.25 1wfg s PRO 20 N -1.83 3.09 0.48 2.91 0.04 -1.26 0.18 135.00 138.62 1wfg s PRO 20 Ca -0.05 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.94 1wfg s PRO 20 Cb -0.09 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.56 1wfg s PRO 20 CO 0.01 -0.98 0.45 -1.13 0.04 0.00 0.00 177.00 175.39 1wfg n SER 21 N -2.74 -1.31 -0.24 6.66 3.41 -0.90 -4.63 113.62 113.88 1wfg n SER 21 Ca 0.08 -0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 57.86 1wfg n SER 21 Cb 0.53 -0.40 0.09 0.00 -0.26 0.00 0.00 64.21 64.17 1wfg n SER 21 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfg h LYS 22 N 0.00 0.74 0.12 4.33 1.57 -1.97 -3.18 116.57 118.18 1wfg h LYS 22 Ca -0.17 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1wfg h LYS 22 Cb 0.50 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1wfg h LYS 22 CO 0.11 0.49 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.98 1wfg h ASP 23 N 0.76 -0.13 0.00 0.86 3.32 -1.93 -3.49 116.42 115.81 1wfg h ASP 23 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1wfg h ASP 23 Cb 0.10 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1wfg h ASP 23 CO -0.14 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 177.95 1wfg n GLY 24 N 0.37 1.35 0.27 2.75 0.00 -1.20 -4.97 105.19 103.76 1wfg n GLY 24 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.37 0.59 -2.47 1.61 3.32 -1.94 -3.44 116.42 114.47 1wfg h ASP 25 Ca 0.00 -0.14 -0.45 0.00 0.02 0.00 0.00 57.03 56.46 1wfg h ASP 25 Cb 0.00 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.42 1wfg h ASP 25 CO 0.00 0.70 -0.16 -0.13 -1.72 0.00 0.00 179.24 177.93 1wfg s ARG 26 N -4.87 3.05 -0.12 3.56 1.81 -1.26 -1.64 118.95 119.48 1wfg s ARG 26 Ca -0.08 -0.65 -0.01 0.00 -1.72 0.00 0.00 55.73 53.27 1wfg s ARG 26 Cb 0.15 -2.63 0.03 0.00 -0.45 0.00 0.00 34.95 32.05 1wfg s ARG 26 CO 0.79 -0.20 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.97 1wfg s LEU 27 N -4.46 1.23 -0.40 2.53 1.98 0.13 -2.12 118.68 117.57 1wfg s LEU 27 Ca 0.48 -0.36 -0.16 0.00 -2.89 0.00 0.00 54.13 51.20 1wfg s LEU 27 Cb -0.10 -0.83 0.01 0.00 0.66 0.00 0.00 46.19 45.94 1wfg s LEU 27 CO 0.36 -0.14 0.36 -0.63 -1.89 0.00 0.00 176.35 174.42 1wfg s ILE 28 N 1.71 5.18 0.01 6.68 -1.09 0.48 -1.49 121.20 132.68 1wfg s ILE 28 Ca 0.04 -0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1wfg s ILE 28 Cb -0.13 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1wfg s ILE 28 CO -0.08 -0.31 0.11 -0.83 -1.23 0.00 0.00 174.94 172.60 1wfg s GLY 29 N 1.75 2.06 -0.08 6.18 0.00 0.36 -0.51 107.32 117.08 1wfg s GLY 29 Ca 0.09 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1wfg s GLY 29 CO 0.12 -0.77 -0.12 0.50 0.00 0.00 0.00 173.10 172.83 1wfg s ARG 30 N -1.93 1.72 -0.28 2.90 0.52 0.72 0.53 118.95 123.13 1wfg s ARG 30 Ca 0.26 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 1wfg s ARG 30 Cb -0.12 -1.48 0.07 0.00 0.52 0.00 0.00 34.95 33.93 1wfg s ARG 30 CO 0.17 -0.03 -0.06 0.42 0.02 0.00 0.00 175.30 175.82 1wfg s ILE 31 N 0.87 2.33 -0.22 1.52 1.09 0.36 -0.88 121.20 126.26 1wfg s ILE 31 Ca -0.11 -1.73 -0.17 0.00 -1.10 0.00 0.00 60.65 57.55 1wfg s ILE 31 Cb -0.15 -2.43 -0.03 0.00 -1.06 0.00 0.00 42.46 38.79 1wfg s ILE 31 CO 0.01 -0.15 0.48 -0.22 -0.10 0.00 0.00 174.94 174.96 1wfg s LEU 32 N 1.09 4.12 -0.20 2.97 1.98 -1.15 0.11 118.68 127.59 1wfg s LEU 32 Ca -0.05 0.57 -0.04 0.00 -2.89 0.00 0.00 54.13 51.72 1wfg s LEU 32 Cb -0.20 -2.63 -0.01 0.00 0.66 0.00 0.00 46.19 44.01 1wfg s LEU 32 CO -0.05 -0.18 -0.04 -0.76 -1.89 0.00 0.00 176.35 173.44 1wfg s LEU 33 N 1.73 3.01 0.41 -0.68 2.01 0.53 -4.71 118.68 120.98 1wfg s LEU 33 Ca 0.21 -0.31 0.06 0.00 0.01 0.00 0.00 54.13 54.10 1wfg s LEU 33 Cb -0.15 -1.76 0.01 0.00 0.01 0.00 0.00 46.19 44.30 1wfg s LEU 33 CO 0.09 0.03 0.58 0.21 1.01 0.00 0.00 176.35 178.27 1wfg s ASN 34 N 1.18 5.72 0.00 2.29 3.84 -1.26 0.25 114.94 126.96 1wfg s ASN 34 Ca 0.02 -0.24 0.00 0.00 0.21 0.00 0.00 52.86 52.86 1wfg s ASN 34 Cb -0.14 -0.93 0.00 0.00 -0.55 0.00 0.00 41.25 39.62 1wfg s ASN 34 CO -0.00 -0.71 0.00 0.29 -2.79 0.00 0.00 177.10 173.89 1wfg n LYS 35 N -1.87 0.00 -1.21 0.43 5.02 0.32 -4.87 118.16 115.98 1wfg n LYS 35 Ca 0.05 0.00 -0.55 0.00 -2.02 0.00 0.00 58.31 55.79 1wfg n LYS 35 Cb 0.59 -0.14 -0.10 0.00 -0.02 0.00 0.00 35.03 35.35 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 -2.17 0.00 0.00 1.97 1.74 -1.20 -4.62 116.66 112.38 1wfg n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wfg n ARG 36 Cb 0.00 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 6.17 0.00 0.06 0.55 4.77 -1.26 -4.68 117.00 122.61 1wfg n LEU 37 Ca 0.45 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 1wfg n LEU 37 Cb -0.04 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 1wfg n LEU 37 CO 0.79 0.00 0.01 0.50 -1.33 0.00 0.00 177.39 177.36 1wfg h LYS 38 N 0.00 0.34 0.00 3.23 3.64 -2.04 -3.27 116.57 118.47 1wfg h LYS 38 Ca 0.00 -0.57 -0.10 0.00 -1.27 0.00 0.00 60.65 58.71 1wfg h LYS 38 Cb 0.00 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1wfg h LYS 38 CO 0.00 1.27 -0.48 -0.44 -2.27 0.00 0.00 179.45 177.53 1wfg h ASP 39 N -0.30 0.00 -2.96 4.20 5.19 -2.00 -3.48 116.42 117.08 1wfg h ASP 39 Ca -0.16 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 1wfg h ASP 39 Cb 1.71 0.00 0.03 0.00 0.18 0.00 0.00 39.33 41.26 1wfg h ASP 39 CO 0.17 0.48 -0.14 0.61 -3.12 0.00 0.00 179.24 177.24 1wfg n GLY 40 N 0.55 0.39 0.00 2.75 0.00 -1.24 -4.98 105.19 102.67 1wfg n GLY 40 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1wfg n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfg n SER 41 N -1.55 0.82 -1.96 1.61 2.88 -1.26 -4.87 113.62 109.29 1wfg n SER 41 Ca -0.04 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 1wfg n SER 41 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wfg n SER 41 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1wfg n VAL 42 N -0.06 -6.59 -1.71 2.46 0.31 -1.26 -4.93 118.33 106.55 1wfg n VAL 42 Ca 0.00 2.83 -0.31 0.00 -0.01 0.00 0.00 64.34 66.85 1wfg n VAL 42 Cb 0.11 -3.73 0.04 0.00 -0.91 0.00 0.00 33.84 29.35 1wfg n VAL 42 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wfg s PRO 43 N -1.93 3.07 0.20 5.55 0.04 -1.26 -4.95 135.00 135.72 1wfg s PRO 43 Ca 0.00 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 1wfg s PRO 43 Cb 0.00 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.71 1wfg s PRO 43 CO 0.00 -1.00 1.59 0.00 0.04 0.00 0.00 177.00 177.63 1wfg h ARG 44 N -0.38 -0.10 0.00 4.56 2.47 -1.98 -3.31 114.38 115.63 1wfg h ARG 44 Ca -0.45 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1wfg h ARG 44 Cb 1.21 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1wfg h ARG 44 CO 0.57 -0.07 0.00 -0.40 0.56 0.00 0.00 179.97 180.63 1wfg n ASP 45 N -5.45 0.00 -2.41 7.04 5.68 -1.26 -4.94 116.55 115.21 1wfg n ASP 45 Ca 0.06 0.08 -0.08 0.00 -0.50 0.00 0.00 54.79 54.35 1wfg n ASP 45 Cb 0.36 -0.13 0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1wfg n ASP 45 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wfg n SER 46 N -1.23 -3.99 -3.54 -1.12 3.41 -1.25 -4.10 113.62 101.80 1wfg n SER 46 Ca 0.00 -0.37 -0.31 0.00 -0.26 0.00 0.00 58.87 57.93 1wfg n SER 46 Cb 0.00 -3.01 0.02 0.00 -0.26 0.00 0.00 64.21 60.96 1wfg n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfg n GLY 47 N -1.30 -0.45 0.39 5.00 0.00 -1.26 -4.74 105.19 102.84 1wfg n GLY 47 Ca -0.06 0.87 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 1wfg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg h ALA 48 N 1.67 -0.54 -0.12 4.61 0.00 -1.92 0.43 119.26 123.40 1wfg h ALA 48 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wfg h ALA 48 Cb 1.34 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1wfg h ALA 48 CO 0.28 -0.90 0.00 -1.33 0.00 0.00 0.00 179.25 177.30 1wfg n MET 49 N -5.43 1.34 0.00 0.00 2.81 -1.26 -4.82 117.12 109.76 1wfg n MET 49 Ca -0.04 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 1wfg n MET 49 Cb 0.36 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 -0.10 0.00 0.00 4.03 7.99 0.15 -2.80 117.00 126.27 1wfg n LEU 50 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 1wfg n LEU 50 Cb 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1wfg n LEU 50 CO 0.03 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.52 1wfg n GLY 51 N 0.00 0.35 3.99 -0.72 0.00 -1.26 -3.42 105.19 104.13 1wfg n GLY 51 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 3.37 -0.28 0.99 0.05 -1.12 -1.90 118.68 119.79 1wfg s LEU 52 Ca 0.00 -0.26 0.03 0.00 0.05 0.00 0.00 54.13 53.95 1wfg s LEU 52 Cb 0.00 -2.61 0.07 0.00 -2.05 0.00 0.00 46.19 41.60 1wfg s LEU 52 CO 0.00 -1.08 -0.06 -0.75 -0.55 0.00 0.00 176.35 173.91 1wfg s LYS 53 N -4.64 1.94 0.08 1.48 2.20 0.53 -4.86 119.74 116.47 1wfg s LYS 53 Ca 0.58 -1.45 -0.19 0.00 -0.36 0.00 0.00 55.97 54.55 1wfg s LYS 53 Cb -0.09 -2.93 -0.07 0.00 -1.51 0.00 0.00 37.83 33.23 1wfg s LYS 53 CO 0.37 -0.68 0.56 0.08 -0.36 0.00 0.00 175.35 175.32 1wfg s VAL 54 N 1.09 4.76 -0.23 4.02 1.01 -1.26 -1.49 120.40 128.30 1wfg s VAL 54 Ca -0.03 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.13 1wfg s VAL 54 Cb -0.20 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.36 1wfg s VAL 54 CO -0.06 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1wfg s VAL 55 N -1.15 1.88 0.32 2.92 1.01 -0.94 -4.95 120.40 119.49 1wfg s VAL 55 Ca 0.30 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1wfg s VAL 55 Cb -0.19 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1wfg s VAL 55 CO 0.19 0.08 0.43 0.61 0.00 0.00 0.00 175.10 176.41 1wfg n GLY 56 N 4.57 2.06 2.80 4.51 0.00 -1.26 -1.68 105.19 116.18 1wfg n GLY 56 Ca -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.65 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 1.05 0.41 3.72 -0.02 0.00 -1.17 -3.88 105.19 105.30 1wfg n GLY 57 Ca 0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.09 4.30 -0.41 1.61 2.47 -1.20 -4.60 119.74 119.82 1wfg s LYS 58 Ca 0.00 2.14 -0.20 0.00 -1.56 0.00 0.00 55.97 56.35 1wfg s LYS 58 Cb 0.00 -3.22 0.01 0.00 -1.46 0.00 0.00 37.83 33.17 1wfg s LYS 58 CO 0.00 -0.46 0.63 1.41 0.16 0.00 0.00 175.35 177.09 1wfg s MET 59 N 0.95 3.43 0.00 4.03 1.75 -1.26 -3.05 119.30 125.16 1wfg s MET 59 Ca 0.65 -0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 1wfg s MET 59 Cb -0.38 -3.89 0.00 0.00 2.84 0.00 0.00 34.83 33.39 1wfg s MET 59 CO 0.32 -0.89 0.00 0.25 -0.65 0.00 0.00 175.02 174.04 1wfg n THR 60 N 5.74 0.00 1.28 10.11 -2.24 -0.81 -4.96 114.28 123.40 1wfg n THR 60 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1wfg n THR 60 Cb 0.48 -1.97 0.37 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.24 1.92 -0.13 -0.78 0.28 -1.26 -3.65 120.64 116.78 1wfg n GLU 61 Ca 0.00 -1.33 0.06 0.00 -0.16 0.00 0.00 57.16 55.73 1wfg n GLU 61 Cb 0.00 -1.47 0.13 0.00 1.43 0.00 0.00 31.44 31.53 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 0.62 2.67 0.00 -1.84 2.88 -1.26 -4.94 113.62 111.75 1wfg n SER 62 Ca 0.17 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1wfg n SER 62 Cb 0.44 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.62 0.46 3.93 0.46 0.00 -1.24 -4.99 105.19 104.42 1wfg n GLY 63 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.54 3.49 -0.00 1.61 1.81 -1.26 -4.84 118.95 119.21 1wfg s ARG 64 Ca 0.00 -0.08 0.04 0.00 -1.72 0.00 0.00 55.73 53.97 1wfg s ARG 64 Cb 0.00 -2.52 -0.03 0.00 -0.45 0.00 0.00 34.95 31.95 1wfg s ARG 64 CO 0.00 -0.05 -0.10 -0.51 -0.68 0.00 0.00 175.30 173.96 1wfg s LEU 65 N -4.54 2.97 0.14 2.53 1.43 -1.26 -1.92 118.68 118.04 1wfg s LEU 65 Ca 0.44 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 53.09 1wfg s LEU 65 Cb -0.10 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.49 1wfg s LEU 65 CO 0.40 0.29 0.62 0.00 0.23 0.00 0.00 176.35 177.90 1wfg s ALA 67 N -3.56 3.47 0.01 0.00 0.00 -1.26 -3.23 121.76 117.20 1wfg s ALA 67 Ca 0.01 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1wfg s ALA 67 Cb -0.01 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1wfg s ALA 67 CO -0.11 0.03 -0.21 -0.06 0.00 0.00 0.00 175.76 175.40 1wfg s PHE 68 N 0.65 1.87 0.23 0.00 0.08 -0.68 -2.25 117.98 117.88 1wfg s PHE 68 Ca 0.05 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.43 1wfg s PHE 68 Cb -0.13 -1.16 -0.10 0.00 -0.57 0.00 0.00 43.02 41.06 1wfg s PHE 68 CO 0.01 0.03 1.48 0.42 -0.10 0.00 0.00 175.22 177.06 1wfg s ILE 69 N -0.63 2.61 -0.20 0.64 1.01 -0.98 -2.21 121.20 121.43 1wfg s ILE 69 Ca 0.08 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1wfg s ILE 69 Cb -0.08 -3.32 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 1wfg s ILE 69 CO 0.00 0.07 -0.27 0.35 0.00 0.00 0.00 174.94 175.09 1wfg n THR 70 N 2.66 1.21 -3.88 2.92 -2.24 -0.55 -2.74 114.28 111.66 1wfg n THR 70 Ca 0.08 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1wfg n THR 70 Cb 0.40 -1.85 -0.10 0.00 -2.10 0.00 0.00 70.33 66.68 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 -2.44 0.48 -0.15 -0.78 2.20 -1.24 -4.68 119.74 113.15 1wfg s LYS 71 Ca -0.29 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1wfg s LYS 71 Cb 0.10 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1wfg s LYS 71 CO 0.37 -0.11 -0.10 0.08 -0.36 0.00 0.00 175.35 175.22 1wfg s VAL 72 N -1.40 1.33 0.24 4.02 1.01 -1.26 -0.34 120.40 123.99 1wfg s VAL 72 Ca -0.15 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 1wfg s VAL 72 Cb -0.08 -1.33 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 1wfg s VAL 72 CO 0.01 0.35 1.61 -0.75 0.00 0.00 0.00 175.10 176.32 1wfg s LYS 73 N 1.57 4.16 -0.66 2.72 2.47 -0.80 -4.90 119.74 124.31 1wfg s LYS 73 Ca 0.04 2.51 -0.27 0.00 -1.56 0.00 0.00 55.97 56.68 1wfg s LYS 73 Cb -0.13 -3.07 0.02 0.00 -1.46 0.00 0.00 37.83 33.19 1wfg s LYS 73 CO -0.09 -0.64 1.31 0.21 0.16 0.00 0.00 175.35 176.31 1wfg s LYS 74 N 0.34 3.27 0.00 4.03 2.20 -1.26 -3.37 119.74 124.95 1wfg s LYS 74 Ca 0.68 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1wfg s LYS 74 Cb -0.47 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1wfg s LYS 74 CO 0.39 -2.02 0.00 0.41 -0.36 0.00 0.00 175.35 173.78 1wfg n GLY 75 N 5.29 0.67 3.17 5.54 0.00 -1.26 -5.11 105.19 113.48 1wfg n GLY 75 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 76 N -1.17 0.58 0.13 1.61 0.01 -1.22 -4.92 113.70 108.72 1wfg s SER 76 Ca 0.00 -1.17 -0.25 0.00 1.31 0.00 0.00 55.95 55.84 1wfg s SER 76 Cb 0.00 0.23 -0.06 0.00 0.21 0.00 0.00 66.02 66.41 1wfg s SER 76 CO 0.00 -0.67 1.39 0.18 0.41 0.00 0.00 173.24 174.55 1wfg n LEU 77 N -0.11 -0.85 -3.11 2.44 7.99 -1.22 0.15 117.00 122.30 1wfg n LEU 77 Ca -0.07 1.58 -0.22 0.00 -0.01 0.00 0.00 56.01 57.29 1wfg n LEU 77 Cb 0.63 -0.26 -0.02 0.00 -0.11 0.00 0.00 43.42 43.65 1wfg n LEU 77 CO 0.31 -1.24 2.36 0.00 -1.51 0.00 0.00 177.39 177.32 1wfg n ALA 78 N -3.23 4.93 0.00 -1.18 0.00 -1.26 -0.35 120.51 119.43 1wfg n ALA 78 Ca 0.02 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.40 1wfg n ALA 78 Cb 0.21 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 4.03 0.00 0.04 0.00 2.03 0.31 -4.02 116.55 118.93 1wfg n ASP 79 Ca 0.46 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.58 1wfg n ASP 79 Cb 0.17 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.45 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1wfg h THR 80 N 0.00 1.37 0.00 5.18 1.35 0.16 -2.40 112.91 118.57 1wfg h THR 80 Ca 0.00 -2.26 -0.24 0.00 -0.55 0.00 0.00 66.41 63.36 1wfg h THR 80 Cb 0.00 2.63 -0.04 0.00 -1.73 0.00 0.00 68.15 69.01 1wfg h THR 80 CO 0.00 0.67 -1.92 1.33 -0.25 0.00 0.00 175.52 175.36 1wfg n VAL 81 N -4.02 0.92 0.09 6.82 0.24 -0.55 -4.65 118.33 117.19 1wfg n VAL 81 Ca -0.12 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.34 61.61 1wfg n VAL 81 Cb 0.81 -1.09 -0.15 0.00 -1.47 0.00 0.00 33.84 31.95 1wfg n VAL 81 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1wfg h GLY 82 N 1.18 0.52 -0.07 7.63 0.00 -0.89 -3.44 103.07 108.00 1wfg h GLY 82 Ca -0.36 -1.25 -0.03 0.00 0.00 0.00 0.00 47.33 45.69 1wfg h GLY 82 CO -0.06 1.10 -0.03 1.42 0.00 0.00 0.00 176.54 178.97 1wfg n HIS 83 N -3.92 0.00 -0.68 5.60 -0.00 -0.90 -4.69 115.22 110.62 1wfg n HIS 83 Ca -0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.31 1wfg n HIS 83 Cb 0.95 -1.59 0.13 0.00 -0.00 0.00 0.00 29.99 29.48 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 -0.17 -2.07 -3.65 2.41 4.77 -1.26 -4.80 117.00 112.24 1wfg n LEU 84 Ca -0.01 -0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 1wfg n LEU 84 Cb 0.38 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1wfg n LEU 84 CO 0.02 -2.96 0.17 -0.13 -1.33 0.00 0.00 177.39 173.16 1wfg s ARG 85 N -3.09 0.97 -0.55 3.23 1.81 -1.26 -4.71 118.95 115.35 1wfg s ARG 85 Ca 0.41 -0.44 -0.28 0.00 -1.72 0.00 0.00 55.73 53.70 1wfg s ARG 85 Cb -0.04 0.43 0.01 0.00 -0.45 0.00 0.00 34.95 34.90 1wfg s ARG 85 CO 0.50 -0.35 1.49 -1.25 -0.68 0.00 0.00 175.30 175.01 1wfg s PRO 86 N -2.82 3.23 0.00 3.54 0.04 -1.26 -3.04 135.00 134.68 1wfg s PRO 86 Ca -0.03 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1wfg s PRO 86 Cb -0.00 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1wfg s PRO 86 CO -0.05 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1wfg n GLY 87 N 5.32 0.82 3.44 0.56 0.00 -1.11 -4.95 105.19 109.28 1wfg n GLY 87 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1wfg n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wfg n ASP 88 N 0.00 -2.01 -3.68 1.61 2.03 -1.17 -4.79 116.55 108.54 1wfg n ASP 88 Ca 0.00 -1.17 -0.28 0.00 0.52 0.00 0.00 54.79 53.87 1wfg n ASP 88 Cb 0.00 -0.98 -0.16 0.00 -0.72 0.00 0.00 41.12 39.25 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1wfg s GLU 89 N -5.44 0.46 -0.62 -0.67 2.12 -1.26 -2.33 118.70 110.96 1wfg s GLU 89 Ca 0.70 -0.44 -0.27 0.00 0.36 0.00 0.00 54.97 55.32 1wfg s GLU 89 Cb -0.07 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.42 1wfg s GLU 89 CO 0.53 -0.74 1.57 0.54 -0.54 0.00 0.00 175.26 176.62 1wfg s VAL 90 N 1.93 3.58 0.02 3.70 0.11 -0.95 -2.39 120.40 126.40 1wfg s VAL 90 Ca 0.02 0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 59.23 1wfg s VAL 90 Cb -0.17 -4.35 -0.13 0.00 -1.53 0.00 0.00 36.38 30.20 1wfg s VAL 90 CO -0.14 -1.24 1.16 -0.07 -3.33 0.00 0.00 175.10 171.48 1wfg h LEU 91 N 14.43 -0.74 -9.54 2.54 3.38 0.23 -3.40 115.31 122.21 1wfg h LEU 91 Ca -0.27 0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.15 1wfg h LEU 91 Cb 1.11 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.95 1wfg h LEU 91 CO 1.22 -0.45 -0.64 -1.61 0.09 0.00 0.00 178.44 177.05 1wfg s GLU 92 N -4.59 2.10 -0.31 1.13 2.02 -1.21 0.31 118.70 118.15 1wfg s GLU 92 Ca -0.13 -1.64 -0.02 0.00 0.02 0.00 0.00 54.97 53.21 1wfg s GLU 92 Cb 0.01 -1.99 0.12 0.00 0.10 0.00 0.00 34.13 32.37 1wfg s GLU 92 CO 0.38 0.24 0.19 -0.46 0.02 0.00 0.00 175.26 175.62 1wfg s TRP 93 N -2.45 0.33 -0.95 1.61 -0.11 0.36 -1.59 118.94 116.12 1wfg s TRP 93 Ca 0.33 -1.04 0.00 0.00 1.22 0.00 0.00 56.10 56.62 1wfg s TRP 93 Cb -0.03 -0.83 0.00 0.00 -1.50 0.00 0.00 33.47 31.11 1wfg s TRP 93 CO 0.19 -0.85 0.00 -1.71 -4.62 0.00 0.00 176.95 169.96 1wfg n ASN 94 N 4.82 -3.74 0.00 5.86 2.85 0.62 -1.94 115.26 123.73 1wfg n ASN 94 Ca 0.01 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1wfg n ASN 94 Cb 0.41 -2.63 0.00 0.00 1.24 0.00 0.00 39.78 38.80 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 -1.32 0.11 3.62 8.20 0.00 -1.24 -4.82 105.19 109.74 1wfg n GLY 95 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.97 4.03 0.12 1.61 1.81 -0.82 -5.02 118.95 119.71 1wfg s ARG 96 Ca 0.00 0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 54.24 1wfg s ARG 96 Cb 0.00 -3.68 -0.07 0.00 -0.45 0.00 0.00 34.95 30.75 1wfg s ARG 96 CO 0.00 -0.52 1.17 -1.17 -0.68 0.00 0.00 175.30 174.10 1wfg s LEU 97 N 2.65 4.42 -0.04 2.53 2.96 -1.26 0.13 118.68 130.08 1wfg s LEU 97 Ca 0.28 2.09 0.21 0.00 -0.22 0.00 0.00 54.13 56.48 1wfg s LEU 97 Cb -0.15 -3.59 -0.28 0.00 0.50 0.00 0.00 46.19 42.66 1wfg s LEU 97 CO 0.10 -0.37 0.46 0.18 -1.32 0.00 0.00 176.35 175.40 1wfg n LEU 98 N 3.12 0.11 -4.60 -0.68 4.77 0.15 -4.67 117.00 115.21 1wfg n LEU 98 Ca 0.06 0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.63 1wfg n LEU 98 Cb 0.46 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1wfg n LEU 98 CO 0.55 0.09 1.72 0.00 -1.33 0.00 0.00 177.39 178.42 1wfg n GLN 99 N -2.42 2.01 0.00 3.23 6.02 -1.24 -0.11 117.38 124.88 1wfg n GLN 99 Ca -0.10 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1wfg n GLN 99 Cb 0.70 -2.93 0.00 0.00 1.02 0.00 0.00 30.24 29.03 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 5.39 3.02 3.76 1.08 0.00 0.52 -4.96 105.19 114.00 1wfg n GLY 100 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.41 1.90 -1.86 4.61 0.00 0.85 -4.67 120.51 120.92 1wfg n ALA 101 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1wfg n ALA 101 Cb 0.00 -2.39 0.12 0.00 0.00 0.00 0.00 19.45 17.19 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 -1.23 1.99 0.24 0.00 -4.23 -1.26 -3.04 115.64 108.12 1wfg s THR 102 Ca 0.65 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1wfg s THR 102 Cb -0.43 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.65 1wfg s THR 102 CO 0.54 0.00 1.78 0.15 -0.54 0.00 0.00 174.62 176.55 1wfg h PHE 103 N -1.28 0.73 0.05 3.99 3.04 -1.82 -0.27 116.94 121.39 1wfg h PHE 103 Ca -0.46 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.52 1wfg h PHE 103 Cb 1.31 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.61 1wfg h PHE 103 CO -0.10 0.24 -0.02 0.93 -2.02 0.00 0.00 178.31 177.34 1wfg h GLU 104 N 0.66 -0.07 -0.14 1.11 4.39 -1.92 -2.54 114.58 116.07 1wfg h GLU 104 Ca 0.40 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.13 1wfg h GLU 104 Cb 0.46 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 1wfg h GLU 104 CO -0.29 0.29 -0.52 0.93 -1.16 0.00 0.00 179.01 178.26 1wfg h GLU 105 N -0.43 -0.53 -0.66 2.33 4.39 -1.75 0.86 114.58 118.79 1wfg h GLU 105 Ca -0.01 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.86 1wfg h GLU 105 Cb 0.39 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.03 1wfg h GLU 105 CO 0.01 -0.35 -0.22 0.28 -1.16 0.00 0.00 179.01 177.57 1wfg h VAL 106 N -0.55 0.27 0.80 3.13 2.07 -1.12 0.76 116.25 121.61 1wfg h VAL 106 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1wfg h VAL 106 Cb 0.64 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1wfg h VAL 106 CO -0.42 0.00 -0.46 0.22 0.02 0.00 0.00 177.57 176.93 1wfg h TYR 107 N -0.05 -1.22 -0.99 1.57 5.03 -0.72 -2.57 116.97 118.01 1wfg h TYR 107 Ca 0.30 -0.02 0.20 0.00 2.58 0.00 0.00 58.73 61.79 1wfg h TYR 107 Cb 0.52 0.43 -0.19 0.00 1.55 0.00 0.00 36.73 39.04 1wfg h TYR 107 CO -0.58 -0.70 -0.25 -0.91 -1.32 0.00 0.00 178.16 174.40 1wfg h ASN 108 N -1.17 -0.92 -0.09 -2.11 2.35 0.16 0.23 115.58 114.02 1wfg h ASN 108 Ca -0.11 0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1wfg h ASN 108 Cb 0.93 0.61 -0.03 0.00 0.05 0.00 0.00 38.32 39.88 1wfg h ASN 108 CO 0.13 -0.33 -0.26 0.40 -1.65 0.00 0.00 177.43 175.72 1wfg h ILE 109 N -0.00 0.00 -1.00 2.81 2.04 -0.59 1.62 117.51 122.39 1wfg h ILE 109 Ca 0.47 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.61 1wfg h ILE 109 Cb 0.72 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.67 1wfg h ILE 109 CO -1.02 0.00 0.58 0.40 0.00 0.00 0.00 178.15 178.11 1wfg h ILE 110 N -0.26 0.43 -0.27 -0.67 2.04 -0.30 1.57 117.51 120.06 1wfg h ILE 110 Ca 0.02 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 1wfg h ILE 110 Cb 0.32 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1wfg h ILE 110 CO -0.23 0.09 -0.28 0.25 0.00 0.00 0.00 178.15 177.98 1wfg h LEU 111 N 0.47 0.55 0.00 1.44 5.85 0.20 -1.45 115.31 122.37 1wfg h LEU 111 Ca 0.68 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1wfg h LEU 111 Cb 1.42 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1wfg h LEU 111 CO -0.53 0.81 0.00 -0.62 -0.34 0.00 0.00 178.44 177.76 1wfg n GLU 112 N -4.10 0.36 -0.21 1.25 1.02 0.53 -1.94 120.64 117.55 1wfg n GLU 112 Ca -0.01 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1wfg n GLU 112 Cb 0.43 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.25 2.97 0.08 1.62 7.64 -0.05 -4.53 113.62 120.10 1wfg n SER 113 Ca 0.11 -2.30 -0.13 0.00 1.01 0.00 0.00 58.87 57.56 1wfg n SER 113 Cb 0.16 -0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.54 -0.19 0.00 1.43 1.57 -1.14 -3.13 116.57 116.66 1wfg h LYS 114 Ca 0.00 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1wfg h LYS 114 Cb 0.88 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1wfg h LYS 114 CO 0.05 0.11 -0.69 -1.00 -0.57 0.00 0.00 179.45 177.35 1wfg h PRO 115 N -0.48 0.00 -6.05 3.15 0.13 -1.81 -3.47 132.00 123.47 1wfg h PRO 115 Ca -0.02 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.48 1wfg h PRO 115 Cb 0.38 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.66 1wfg h PRO 115 CO 0.03 0.69 -0.77 0.39 -0.23 0.00 0.00 178.00 178.11 1wfg n GLU 116 N -3.60 0.09 0.14 0.86 -0.58 -1.19 -4.85 120.64 111.51 1wfg n GLU 116 Ca -0.01 0.03 0.01 0.00 -0.42 0.00 0.00 57.16 56.78 1wfg n GLU 116 Cb 0.70 -1.08 0.16 0.00 -0.57 0.00 0.00 31.44 30.65 1wfg n GLU 116 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wfg h PRO 117 N 0.56 0.00 -4.20 3.49 0.13 -1.89 -3.46 132.00 126.62 1wfg h PRO 117 Ca -0.35 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.51 1wfg h PRO 117 Cb 1.44 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.48 1wfg h PRO 117 CO 0.50 0.57 -0.25 1.14 -0.23 0.00 0.00 178.00 179.73 1wfg s GLN 118 N -3.33 1.79 -0.22 0.86 -2.07 -1.26 -0.52 119.66 114.91 1wfg s GLN 118 Ca 0.01 -1.72 -0.04 0.00 -1.82 0.00 0.00 55.36 51.79 1wfg s GLN 118 Cb 0.11 0.42 0.11 0.00 -1.09 0.00 0.00 33.01 32.56 1wfg s GLN 118 CO 0.74 -0.72 0.34 0.54 -1.32 0.00 0.00 175.29 174.86 1wfg s VAL 119 N -3.30 -0.53 -0.52 3.63 0.11 0.70 -4.93 120.40 115.56 1wfg s VAL 119 Ca 0.31 -0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.17 1wfg s VAL 119 Cb 0.01 -0.73 0.09 0.00 -1.53 0.00 0.00 36.38 34.21 1wfg s VAL 119 CO 0.19 -0.10 0.52 -0.70 -3.33 0.00 0.00 175.10 171.68 1wfg s GLU 120 N 2.49 3.02 0.46 1.54 2.12 -1.26 0.20 118.70 127.27 1wfg s GLU 120 Ca 0.09 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.06 1wfg s GLU 120 Cb -0.15 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.04 1wfg s GLU 120 CO -0.14 -1.24 0.69 -0.51 -0.54 0.00 0.00 175.26 173.52 1wfg s LEU 121 N 1.99 3.60 -0.07 2.70 1.43 0.30 0.23 118.68 128.85 1wfg s LEU 121 Ca 0.07 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1wfg s LEU 121 Cb -0.25 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 42.87 1wfg s LEU 121 CO 0.06 -0.76 0.15 -0.69 0.23 0.00 0.00 176.35 175.35 1wfg s VAL 122 N -2.59 -0.12 0.07 -1.59 1.01 -0.62 -0.49 120.40 116.07 1wfg s VAL 122 Ca 0.49 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.80 1wfg s VAL 122 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1wfg s VAL 122 CO 0.38 0.10 -0.23 0.68 0.00 0.00 0.00 175.10 176.02 1wfg s VAL 123 N 1.53 2.41 -0.10 2.92 -7.23 0.19 0.21 120.40 120.34 1wfg s VAL 123 Ca -0.05 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1wfg s VAL 123 Cb -0.12 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.83 1wfg s VAL 123 CO -0.06 0.29 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.31 1wfg s SER 124 N -1.52 2.38 0.10 4.85 0.15 -1.00 0.13 113.70 118.79 1wfg s SER 124 Ca 0.13 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1wfg s SER 124 Cb -0.10 -1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 1wfg s SER 124 CO 0.04 0.04 -0.01 0.00 1.20 0.00 0.00 173.24 174.51 1wfg s ARG 125 N 0.82 0.83 -0.22 5.44 1.70 -0.55 -4.34 118.95 122.62 1wfg s ARG 125 Ca -0.10 -1.36 -0.20 0.00 -0.47 0.00 0.00 55.73 53.61 1wfg s ARG 125 Cb -0.16 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 1wfg s ARG 125 CO 0.01 -0.12 0.58 -1.54 -1.08 0.00 0.00 175.30 173.15 1wfg s SER 126 N -3.03 6.58 0.61 -2.89 1.04 -1.26 0.23 113.70 114.98 1wfg s SER 126 Ca 0.15 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1wfg s SER 126 Cb 0.07 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1wfg s SER 126 CO -0.03 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1wfg n GLY 127 N 4.02 -3.90 3.81 7.32 0.00 -0.65 -4.89 105.19 110.90 1wfg n GLY 127 Ca -0.02 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -5.17 3.18 1.04 1.61 0.04 -1.26 -4.81 135.00 129.63 1wfg s PRO 128 Ca 0.00 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 1wfg s PRO 128 Cb 0.00 -2.02 0.21 0.00 0.04 0.00 0.00 34.50 32.73 1wfg s PRO 128 CO 0.00 -0.91 1.09 -1.12 0.04 0.00 0.00 177.00 176.10 1wfg s SER 129 N -3.30 2.25 0.06 6.66 0.01 -1.26 -5.08 113.70 113.05 1wfg s SER 129 Ca 0.61 1.10 0.01 0.00 1.31 0.00 0.00 55.95 58.97 1wfg s SER 129 Cb -0.15 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1wfg s SER 129 CO 0.45 -3.35 -0.05 -0.55 0.41 0.00 0.00 173.24 170.15 1wfg s SER 130 N -3.48 0.75 0.00 2.44 0.15 -1.26 -5.28 113.70 107.02 1wfg s SER 130 Ca 0.66 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wfg s SER 130 Cb -0.18 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1wfg s SER 130 CO 0.58 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 175.16