#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 0.02 -0.21 1.61 0.15 -1.26 -5.15 113.70 108.86 1wfg s SER 2 Ca 0.00 -0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1wfg s SER 2 Cb 0.00 0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1wfg s SER 2 CO 0.00 -0.10 0.54 -0.55 1.20 0.00 0.00 173.24 174.34 1wfg s SER 3 N -0.38 -0.65 0.00 5.45 0.15 -1.26 -5.16 113.70 111.85 1wfg s SER 3 Ca -0.04 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1wfg s SER 3 Cb -0.03 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1wfg s SER 3 CO -0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wfg n GLY 4 N 3.64 3.33 1.84 9.45 0.00 -1.26 -5.10 105.19 117.09 1wfg n GLY 4 Ca -0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1wfg n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfg n SER 5 N -0.26 -3.27 -2.37 1.61 3.41 -1.26 -5.14 113.62 106.34 1wfg n SER 5 Ca 0.00 0.78 -0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1wfg n SER 5 Cb 0.00 3.14 -0.00 0.00 -0.26 0.00 0.00 64.21 67.09 1wfg n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfg n SER 6 N -3.29 -8.85 -3.20 4.04 7.64 -1.26 -5.05 113.62 103.64 1wfg n SER 6 Ca 0.00 1.83 -0.00 0.00 1.01 0.00 0.00 58.87 61.71 1wfg n SER 6 Cb 0.00 -5.24 -0.02 0.00 -1.01 0.00 0.00 64.21 57.94 1wfg n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfg s GLY 7 N -0.61 -0.98 -0.02 0.23 0.00 -1.26 -5.15 107.32 99.53 1wfg s GLY 7 Ca -0.02 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1wfg s GLY 7 CO 0.07 3.38 0.02 -2.38 0.00 0.00 0.00 173.10 174.19 1wfg s HIS 8 N 2.75 3.15 0.43 1.90 0.00 -1.26 -5.10 115.29 117.16 1wfg s HIS 8 Ca 0.13 0.14 -0.23 0.00 -3.00 0.00 0.00 55.06 52.10 1wfg s HIS 8 Cb -0.12 -1.71 -0.09 0.00 -4.00 0.00 0.00 32.58 26.66 1wfg s HIS 8 CO -0.25 0.49 1.04 0.45 -1.00 0.00 0.00 174.74 175.47 1wfg s SER 9 N -1.45 6.63 -0.01 7.38 0.15 -1.26 -5.05 113.70 120.10 1wfg s SER 9 Ca 0.19 1.99 -0.01 0.00 0.70 0.00 0.00 55.95 58.82 1wfg s SER 9 Cb -0.12 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1wfg s SER 9 CO 0.09 -0.58 0.09 -2.28 1.20 0.00 0.00 173.24 171.76 1wfg s HIS 10 N -1.78 3.30 0.40 3.44 5.65 -1.26 -5.11 115.29 119.93 1wfg s HIS 10 Ca 0.61 0.22 -0.07 0.00 0.25 0.00 0.00 55.06 56.07 1wfg s HIS 10 Cb -0.20 -1.75 0.10 0.00 -1.18 0.00 0.00 32.58 29.56 1wfg s HIS 10 CO 0.25 0.56 0.35 0.43 -0.65 0.00 0.00 174.74 175.68 1wfg n SER 11 N 1.19 -1.38 -3.33 9.88 7.64 -1.26 -4.56 113.62 121.80 1wfg n SER 11 Ca -0.13 -0.71 -0.23 0.00 1.01 0.00 0.00 58.87 58.81 1wfg n SER 11 Cb 0.53 -0.32 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfg n ASP 12 N -3.61 -6.32 -3.52 6.43 9.92 -1.26 -4.91 116.55 113.29 1wfg n ASP 12 Ca 0.05 -0.12 -0.32 0.00 -0.53 0.00 0.00 54.79 53.86 1wfg n ASP 12 Cb 0.19 -3.12 -0.04 0.00 -0.64 0.00 0.00 41.12 37.51 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 -0.90 3.43 -3.23 -1.24 2.85 -1.26 -4.94 118.16 112.87 1wfg n LYS 13 Ca -0.07 -4.68 0.03 0.00 -1.05 0.00 0.00 58.31 52.55 1wfg n LYS 13 Cb 0.60 -2.34 -0.04 0.00 -0.65 0.00 0.00 35.03 32.60 1wfg n LYS 13 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1wfg s HIS 14 N -2.90 -0.22 -0.00 5.58 -3.43 -1.26 -5.06 115.29 108.00 1wfg s HIS 14 Ca 0.39 0.38 -0.21 0.00 -0.80 0.00 0.00 55.06 54.82 1wfg s HIS 14 Cb 0.15 0.13 -0.22 0.00 -1.43 0.00 0.00 32.58 31.21 1wfg s HIS 14 CO -0.01 -0.11 1.12 -1.00 -2.00 0.00 0.00 174.74 172.74 1wfg h PRO 15 N 7.17 0.37 -5.45 -0.38 0.13 -1.92 -3.44 132.00 128.48 1wfg h PRO 15 Ca -0.14 -0.35 -0.63 0.00 -0.87 0.00 0.00 66.00 64.00 1wfg h PRO 15 Cb 1.13 0.09 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1wfg h PRO 15 CO 0.06 1.02 -0.53 0.08 -0.23 0.00 0.00 178.00 178.41 1wfg s VAL 16 N -3.35 5.09 -0.14 1.56 1.01 -1.26 -2.62 120.40 120.69 1wfg s VAL 16 Ca -0.14 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1wfg s VAL 16 Cb 0.03 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1wfg s VAL 16 CO 0.80 0.51 0.32 0.42 0.00 0.00 0.00 175.10 177.15 1wfg s THR 17 N -0.14 -0.22 -0.28 3.92 -4.23 0.20 -4.99 115.64 109.90 1wfg s THR 17 Ca 0.09 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1wfg s THR 17 Cb -0.12 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 73.28 1wfg s THR 17 CO 0.01 0.07 -0.05 0.26 -0.54 0.00 0.00 174.62 174.37 1wfg s TRP 18 N 1.80 3.33 0.06 3.99 0.52 -1.26 0.20 118.94 127.57 1wfg s TRP 18 Ca -0.06 -2.26 0.04 0.00 0.02 0.00 0.00 56.10 53.85 1wfg s TRP 18 Cb -0.11 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 1wfg s TRP 18 CO -0.10 -0.87 -0.11 -0.65 0.02 0.00 0.00 176.95 175.24 1wfg s GLN 19 N 1.13 0.71 0.72 4.98 1.11 -0.16 -4.97 119.66 123.18 1wfg s GLN 19 Ca -0.05 -0.90 -0.11 0.00 0.01 0.00 0.00 55.36 54.31 1wfg s GLN 19 Cb -0.20 -0.59 0.02 0.00 -1.01 0.00 0.00 33.01 31.23 1wfg s GLN 19 CO -0.04 0.12 1.07 -1.25 0.01 0.00 0.00 175.29 175.20 1wfg s PRO 20 N -1.79 2.76 0.80 2.91 0.04 -1.26 0.19 135.00 138.65 1wfg s PRO 20 Ca -0.04 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 61.75 1wfg s PRO 20 Cb -0.09 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 32.66 1wfg s PRO 20 CO 0.01 -1.20 0.97 -1.13 0.04 0.00 0.00 177.00 175.69 1wfg n SER 21 N -3.19 -0.45 -0.27 6.66 3.41 -0.17 -4.64 113.62 114.98 1wfg n SER 21 Ca 0.07 -1.27 0.05 0.00 -0.26 0.00 0.00 58.87 57.47 1wfg n SER 21 Cb 0.54 -0.78 0.19 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.52 0.15 4.33 1.57 -1.97 -2.95 116.57 118.21 1wfg h LYS 22 Ca -0.33 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1wfg h LYS 22 Cb 0.92 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1wfg h LYS 22 CO 0.23 0.34 -0.07 0.22 -0.57 0.00 0.00 179.45 179.60 1wfg h ASP 23 N 0.53 -0.17 0.00 0.86 1.82 -1.92 -3.49 116.42 114.05 1wfg h ASP 23 Ca 0.42 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 1wfg h ASP 23 Cb 0.60 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1wfg h ASP 23 CO -0.37 0.02 0.00 0.61 -1.61 0.00 0.00 179.24 177.89 1wfg n GLY 24 N 0.83 2.33 0.34 -0.78 0.00 -1.12 -4.93 105.19 101.86 1wfg n GLY 24 Ca -0.02 -0.38 0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -3.18 1.61 5.19 -1.89 -3.41 116.42 116.75 1wfg h ASP 25 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 1wfg h ASP 25 Cb 0.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 1wfg h ASP 25 CO 0.00 0.00 -0.68 -0.13 -3.12 0.00 0.00 179.24 175.31 1wfg s ARG 26 N -4.12 2.39 -0.17 3.56 1.81 -1.26 0.97 118.95 122.13 1wfg s ARG 26 Ca -0.04 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 52.98 1wfg s ARG 26 Cb 0.11 -2.41 0.02 0.00 -0.45 0.00 0.00 34.95 32.22 1wfg s ARG 26 CO 0.33 0.49 -0.19 -1.17 -0.68 0.00 0.00 175.30 174.09 1wfg s LEU 27 N -2.58 2.01 -0.46 2.53 1.98 0.23 -0.99 118.68 121.40 1wfg s LEU 27 Ca 0.26 -0.60 -0.16 0.00 -2.89 0.00 0.00 54.13 50.73 1wfg s LEU 27 Cb -0.10 -1.40 0.06 0.00 0.66 0.00 0.00 46.19 45.40 1wfg s LEU 27 CO 0.17 -0.01 0.42 -0.63 -1.89 0.00 0.00 176.35 174.42 1wfg s ILE 28 N 1.29 5.17 -0.21 6.68 -1.09 0.50 -0.65 121.20 132.89 1wfg s ILE 28 Ca 0.04 -0.83 -0.12 0.00 -2.23 0.00 0.00 60.65 57.51 1wfg s ILE 28 Cb -0.13 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1wfg s ILE 28 CO -0.11 -0.55 0.21 -0.83 -1.23 0.00 0.00 174.94 172.44 1wfg s GLY 29 N 2.36 2.05 -0.23 6.18 0.00 0.75 -0.98 107.32 117.44 1wfg s GLY 29 Ca 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 1wfg s GLY 29 CO 0.09 0.41 -0.06 0.50 0.00 0.00 0.00 173.10 174.03 1wfg s ARG 30 N 0.82 3.08 0.13 2.90 0.52 0.52 0.90 118.95 127.83 1wfg s ARG 30 Ca 0.11 -0.82 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1wfg s ARG 30 Cb -0.13 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1wfg s ARG 30 CO 0.03 -0.30 -0.04 0.42 0.02 0.00 0.00 175.30 175.43 1wfg s ILE 31 N 1.39 3.62 -0.01 1.52 1.09 -0.61 0.62 121.20 128.83 1wfg s ILE 31 Ca 0.03 -1.29 -0.02 0.00 -1.10 0.00 0.00 60.65 58.27 1wfg s ILE 31 Cb -0.15 -2.75 -0.00 0.00 -1.06 0.00 0.00 42.46 38.49 1wfg s ILE 31 CO -0.05 0.02 0.05 -0.22 -0.10 0.00 0.00 174.94 174.65 1wfg s LEU 32 N -2.53 1.86 0.02 2.97 1.98 -1.08 0.12 118.68 122.03 1wfg s LEU 32 Ca 0.25 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.42 1wfg s LEU 32 Cb -0.10 0.25 -0.01 0.00 0.66 0.00 0.00 46.19 46.98 1wfg s LEU 32 CO 0.17 -0.15 -0.07 -0.76 -1.89 0.00 0.00 176.35 173.65 1wfg s LEU 33 N -0.57 2.13 0.39 -0.68 1.43 0.30 -4.56 118.68 117.12 1wfg s LEU 33 Ca -0.06 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1wfg s LEU 33 Cb -0.04 -0.25 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 1wfg s LEU 33 CO 0.00 -0.05 -0.00 0.21 0.23 0.00 0.00 176.35 176.74 1wfg s ASN 34 N -0.82 3.90 0.00 2.29 2.47 -1.26 0.20 114.94 121.71 1wfg s ASN 34 Ca -0.03 -1.28 0.00 0.00 0.42 0.00 0.00 52.86 51.97 1wfg s ASN 34 Cb -0.06 -0.40 0.00 0.00 -1.45 0.00 0.00 41.25 39.34 1wfg s ASN 34 CO 0.00 -0.38 0.00 0.29 -3.72 0.00 0.00 177.10 173.29 1wfg n LYS 35 N -0.94 0.00 -1.12 0.43 5.02 0.23 -4.89 118.16 116.89 1wfg n LYS 35 Ca -0.05 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 55.71 1wfg n LYS 35 Cb 0.66 -0.28 -0.11 0.00 -0.02 0.00 0.00 35.03 35.28 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 -2.30 0.00 -0.63 1.97 1.74 -1.25 -4.54 116.66 111.65 1wfg n ARG 36 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1wfg n ARG 36 Cb 0.11 -1.33 0.14 0.00 -1.02 0.00 0.00 32.46 30.36 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 6.56 -1.86 -0.23 0.55 4.77 0.21 -4.46 117.00 122.53 1wfg n LEU 37 Ca 0.48 -0.25 0.04 0.00 -0.03 0.00 0.00 56.01 56.24 1wfg n LEU 37 Cb -0.04 -0.78 0.15 0.00 -2.33 0.00 0.00 43.42 40.42 1wfg n LEU 37 CO 0.78 -3.07 0.90 0.50 -1.33 0.00 0.00 177.39 175.17 1wfg h LYS 38 N -2.29 0.21 -0.82 3.23 1.63 -1.88 0.76 116.57 117.41 1wfg h LYS 38 Ca -0.34 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.58 1wfg h LYS 38 Cb 0.99 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.51 1wfg h LYS 38 CO 0.22 0.14 0.54 -0.44 -3.45 0.00 0.00 179.45 176.46 1wfg h ASP 39 N 0.22 0.58 0.00 4.20 3.32 -1.99 -3.45 116.42 119.29 1wfg h ASP 39 Ca 0.38 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1wfg h ASP 39 Cb 0.64 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1wfg h ASP 39 CO -0.52 0.31 0.00 0.61 -1.72 0.00 0.00 179.24 177.93 1wfg n GLY 40 N -1.46 1.82 2.93 2.75 0.00 0.26 -5.13 105.19 106.37 1wfg n GLY 40 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 1.00 0.25 1.61 0.01 -1.23 -4.74 113.70 108.59 1wfg s SER 41 Ca 0.00 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 1wfg s SER 41 Cb 0.00 -0.40 -0.09 0.00 0.21 0.00 0.00 66.02 65.73 1wfg s SER 41 CO 0.00 -0.01 1.20 -0.69 0.41 0.00 0.00 173.24 174.15 1wfg s VAL 42 N 0.61 3.33 0.56 3.43 1.01 -1.26 0.65 120.40 128.72 1wfg s VAL 42 Ca -0.09 1.23 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 1wfg s VAL 42 Cb -0.12 -3.78 0.13 0.00 0.00 0.00 0.00 36.38 32.61 1wfg s VAL 42 CO 0.01 0.25 0.61 -0.81 0.00 0.00 0.00 175.10 175.16 1wfg n PRO 43 N 1.71 -1.36 0.31 2.72 -0.04 -1.26 -4.90 135.00 132.18 1wfg n PRO 43 Ca 0.02 -0.96 0.19 0.00 -0.04 0.00 0.00 63.50 62.71 1wfg n PRO 43 Cb 0.44 -0.76 0.99 0.00 -0.04 0.00 0.00 33.50 34.13 1wfg n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wfg h ARG 44 N 0.00 0.00 0.00 0.54 2.47 -2.01 -3.43 114.38 111.96 1wfg h ARG 44 Ca -0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1wfg h ARG 44 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1wfg h ARG 44 CO 0.14 0.02 0.00 -0.40 0.56 0.00 0.00 179.97 180.29 1wfg n ASP 45 N -3.24 0.00 -2.70 7.04 5.68 -1.26 -5.05 116.55 117.03 1wfg n ASP 45 Ca -0.02 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.92 1wfg n ASP 45 Cb 0.15 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.16 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1wfg n SER 46 N 0.00 6.59 -0.76 -1.12 2.88 -1.26 -4.85 113.62 115.10 1wfg n SER 46 Ca 0.00 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 1wfg n SER 46 Cb 0.00 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1wfg n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 47 N -0.56 -0.83 0.37 0.46 0.00 -1.26 -4.70 105.19 98.66 1wfg n GLY 47 Ca 0.50 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 1.76 -0.36 4.61 0.00 -1.88 1.08 119.26 124.48 1wfg h ALA 48 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wfg h ALA 48 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wfg h ALA 48 CO 0.00 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 1wfg n MET 49 N -4.66 2.01 0.00 0.00 2.81 -1.26 -4.83 117.12 111.19 1wfg n MET 49 Ca 0.21 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.74 1wfg n MET 49 Cb 0.54 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 0.54 0.00 0.00 4.03 7.99 0.37 -2.87 117.00 127.07 1wfg n LEU 50 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1wfg n LEU 50 Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 1wfg n LEU 50 CO 0.10 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 1wfg n GLY 51 N 0.00 0.33 3.90 -0.72 0.00 -1.26 -3.67 105.19 103.78 1wfg n GLY 51 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.31 -0.15 0.99 -0.00 -1.14 -2.06 118.68 120.63 1wfg s LEU 52 Ca 0.00 0.49 -0.08 0.00 -0.00 0.00 0.00 54.13 54.54 1wfg s LEU 52 Cb 0.00 -3.12 -0.04 0.00 -0.00 0.00 0.00 46.19 43.03 1wfg s LEU 52 CO 0.00 0.11 0.14 -0.75 -0.00 0.00 0.00 176.35 175.85 1wfg s LYS 53 N -2.48 3.70 -0.07 1.48 2.36 0.12 -4.90 119.74 119.93 1wfg s LYS 53 Ca 0.37 -0.16 0.05 0.00 -2.55 0.00 0.00 55.97 53.68 1wfg s LYS 53 Cb -0.13 -3.27 -0.00 0.00 -1.05 0.00 0.00 37.83 33.38 1wfg s LYS 53 CO 0.24 0.61 -0.23 0.08 1.55 0.00 0.00 175.35 177.61 1wfg s VAL 54 N -0.55 1.95 -0.25 4.02 1.01 -1.26 -1.88 120.40 123.44 1wfg s VAL 54 Ca 0.13 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wfg s VAL 54 Cb -0.12 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1wfg s VAL 54 CO 0.02 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 1wfg s VAL 55 N 0.10 2.37 0.23 2.92 1.01 -0.91 -4.96 120.40 121.16 1wfg s VAL 55 Ca -0.10 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.53 1wfg s VAL 55 Cb -0.15 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1wfg s VAL 55 CO 0.06 0.10 0.29 0.61 0.00 0.00 0.00 175.10 176.16 1wfg n GLY 56 N 4.53 2.11 2.73 4.51 0.00 -1.26 -1.99 105.19 115.81 1wfg n GLY 56 Ca -0.16 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 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 2.26 0.93 3.70 -0.02 0.00 -1.13 -4.04 105.19 106.89 1wfg n GLY 57 Ca 0.05 0.00 -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 -2.76 4.33 -0.31 1.61 2.20 -1.21 -4.58 119.74 119.02 1wfg s LYS 58 Ca 0.00 1.96 -0.28 0.00 -0.36 0.00 0.00 55.97 57.29 1wfg s LYS 58 Cb 0.00 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1wfg s LYS 58 CO 0.00 -0.45 1.03 -1.64 -0.36 0.00 0.00 175.35 173.94 1wfg s MET 59 N 1.57 4.06 0.00 4.03 -1.94 -1.26 -2.63 119.30 123.12 1wfg s MET 59 Ca 0.63 1.02 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 1wfg s MET 59 Cb -0.33 -3.73 0.00 0.00 2.01 0.00 0.00 34.83 32.78 1wfg s MET 59 CO 0.29 -0.86 0.00 0.25 -0.01 0.00 0.00 175.02 174.69 1wfg n THR 60 N 5.80 0.00 1.24 2.05 -2.24 -0.31 -4.97 114.28 115.84 1wfg n THR 60 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1wfg n THR 60 Cb 0.47 -1.82 0.34 0.00 -2.10 0.00 0.00 70.33 67.22 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 -0.71 1.07 -0.04 -0.78 0.28 -1.26 -3.57 120.64 115.63 1wfg n GLU 61 Ca 0.00 -0.69 0.11 0.00 -0.16 0.00 0.00 57.16 56.41 1wfg n GLU 61 Cb 0.00 -1.49 0.11 0.00 1.43 0.00 0.00 31.44 31.50 1wfg n GLU 61 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1wfg n SER 62 N -0.36 2.88 0.00 -1.84 7.64 -1.26 -4.93 113.62 115.75 1wfg n SER 62 Ca 0.13 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1wfg n SER 62 Cb 0.38 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 63 N 1.22 0.55 3.97 0.23 0.00 -1.23 -5.02 105.19 104.90 1wfg n GLY 63 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.01 2.88 0.05 1.61 1.81 -1.26 -4.86 118.95 119.18 1wfg s ARG 64 Ca 0.00 -1.21 0.03 0.00 -1.72 0.00 0.00 55.73 52.84 1wfg s ARG 64 Cb 0.00 -2.71 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1wfg s ARG 64 CO 0.00 -0.12 0.02 -0.51 -0.68 0.00 0.00 175.30 174.01 1wfg s LEU 65 N -4.24 3.58 -0.15 2.53 1.43 -1.26 -1.17 118.68 119.40 1wfg s LEU 65 Ca 0.50 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1wfg s LEU 65 Cb -0.09 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.00 1wfg s LEU 65 CO 0.31 0.21 0.76 0.00 0.23 0.00 0.00 176.35 177.86 1wfg s ALA 67 N -0.55 3.65 0.05 0.00 0.00 -1.26 -3.36 121.76 120.29 1wfg s ALA 67 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1wfg s ALA 67 Cb -0.02 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1wfg s ALA 67 CO 0.05 0.20 -0.12 -0.06 0.00 0.00 0.00 175.76 175.83 1wfg s PHE 68 N 0.14 1.03 -0.02 0.00 0.08 -0.84 -0.73 117.98 117.63 1wfg s PHE 68 Ca 0.15 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.47 1wfg s PHE 68 Cb -0.13 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 1wfg s PHE 68 CO 0.04 0.01 1.36 0.42 -0.10 0.00 0.00 175.22 176.95 1wfg s ILE 69 N -1.18 3.83 -0.17 0.64 1.01 0.52 -2.14 121.20 123.71 1wfg s ILE 69 Ca -0.04 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 61.68 1wfg s ILE 69 Cb -0.09 -3.77 -0.22 0.00 0.01 0.00 0.00 42.46 38.39 1wfg s ILE 69 CO 0.01 -0.01 0.23 0.35 0.00 0.00 0.00 174.94 175.53 1wfg n THR 70 N 4.69 1.66 -3.68 2.92 -2.24 -0.79 -1.67 114.28 115.17 1wfg n THR 70 Ca 0.13 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1wfg n THR 70 Cb 0.44 -1.85 -0.07 0.00 -2.10 0.00 0.00 70.33 66.76 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 -2.48 0.86 -0.12 -0.78 2.20 -1.24 -4.68 119.74 113.50 1wfg s LYS 71 Ca -0.27 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1wfg s LYS 71 Cb 0.07 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.80 1wfg s LYS 71 CO 0.67 -0.28 -0.04 0.08 -0.36 0.00 0.00 175.35 175.43 1wfg s VAL 72 N -2.04 0.80 0.48 4.02 1.01 -1.26 0.13 120.40 123.54 1wfg s VAL 72 Ca -0.08 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1wfg s VAL 72 Cb -0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 1wfg s VAL 72 CO 0.01 0.25 1.25 1.17 0.00 0.00 0.00 175.10 177.78 1wfg n LYS 73 N 5.00 1.73 -3.13 2.72 3.00 -0.88 -4.93 118.16 121.68 1wfg n LYS 73 Ca -0.10 0.62 -0.44 0.00 -0.00 0.00 0.00 58.31 58.39 1wfg n LYS 73 Cb 0.49 -2.40 -0.06 0.00 0.00 0.00 0.00 35.03 33.06 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 -2.46 3.12 0.00 1.64 2.20 -1.26 -4.04 119.74 118.94 1wfg s LYS 74 Ca 0.66 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1wfg s LYS 74 Cb -0.47 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1wfg s LYS 74 CO 0.54 -1.31 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 1wfg n GLY 75 N 5.19 0.85 3.29 5.54 0.00 -1.26 -5.10 105.19 113.70 1wfg n GLY 75 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfg s SER 76 N -1.63 1.00 0.00 1.61 0.15 -1.26 -4.94 113.70 108.63 1wfg s SER 76 Ca 0.00 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.21 1wfg s SER 76 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wfg s SER 76 CO 0.00 -0.81 0.99 0.18 1.20 0.00 0.00 173.24 174.80 1wfg n LEU 77 N -0.44 0.00 -3.60 3.45 7.99 -1.24 0.21 117.00 123.37 1wfg n LEU 77 Ca 0.01 0.99 -0.41 0.00 -0.01 0.00 0.00 56.01 56.59 1wfg n LEU 77 Cb 0.66 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 43.44 1wfg n LEU 77 CO 0.35 -0.49 2.28 0.00 -1.51 0.00 0.00 177.39 178.02 1wfg n ALA 78 N -2.87 3.96 0.00 -1.18 0.00 -1.26 -1.28 120.51 117.88 1wfg n ALA 78 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.13 1wfg n ALA 78 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 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 6.83 0.00 0.04 0.00 2.03 -0.74 -4.21 116.55 120.49 1wfg n ASP 79 Ca 0.50 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.61 1wfg n ASP 79 Cb 0.37 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.84 0.00 5.18 1.35 0.07 -2.83 112.91 117.53 1wfg h THR 80 Ca 0.00 -2.51 -0.30 0.00 -0.55 0.00 0.00 66.41 63.05 1wfg h THR 80 Cb 0.00 2.63 -0.05 0.00 -1.73 0.00 0.00 68.15 69.00 1wfg h THR 80 CO 0.00 0.84 -2.12 1.33 -0.25 0.00 0.00 175.52 175.32 1wfg n VAL 81 N -3.48 1.13 0.09 6.82 0.24 -0.50 -4.62 118.33 118.02 1wfg n VAL 81 Ca -0.25 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.34 61.37 1wfg n VAL 81 Cb 1.06 -1.16 -0.15 0.00 -1.47 0.00 0.00 33.84 32.11 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 1.61 0.48 -0.18 7.63 0.00 -1.42 -3.44 103.07 107.76 1wfg h GLY 82 Ca -0.44 -1.23 -0.08 0.00 0.00 0.00 0.00 47.33 45.59 1wfg h GLY 82 CO -0.06 1.08 -0.07 1.42 0.00 0.00 0.00 176.54 178.91 1wfg n HIS 83 N -3.84 0.00 -0.66 5.60 -0.00 -1.07 -4.73 115.22 110.53 1wfg n HIS 83 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.23 1wfg n HIS 83 Cb 1.00 -1.44 0.18 0.00 -0.00 0.00 0.00 29.99 29.73 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 -0.42 -0.22 -3.73 2.41 4.77 -1.26 -4.83 117.00 113.72 1wfg n LEU 84 Ca -0.04 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1wfg n LEU 84 Cb 0.31 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1wfg n LEU 84 CO 0.06 -3.08 0.17 -0.13 -1.33 0.00 0.00 177.39 173.07 1wfg s ARG 85 N -4.00 1.20 -0.27 3.23 0.52 -1.26 -4.65 118.95 113.72 1wfg s ARG 85 Ca 0.62 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 1wfg s ARG 85 Cb -0.20 0.47 -0.00 0.00 0.52 0.00 0.00 34.95 35.73 1wfg s ARG 85 CO 0.64 -0.48 1.33 -1.25 0.02 0.00 0.00 175.30 175.57 1wfg s PRO 86 N -3.86 3.95 0.00 3.54 0.04 -1.26 -3.18 135.00 134.24 1wfg s PRO 86 Ca 0.07 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1wfg s PRO 86 Cb 0.01 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1wfg s PRO 86 CO -0.07 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1wfg n GLY 87 N 4.24 0.49 3.92 0.56 0.00 -0.67 -4.98 105.19 108.75 1wfg n GLY 87 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.43 5.71 -0.22 1.61 1.01 -1.19 -4.85 116.67 118.31 1wfg s ASP 88 Ca 0.00 0.67 0.02 0.00 0.71 0.00 0.00 52.55 53.95 1wfg s ASP 88 Cb 0.00 -1.74 0.04 0.00 1.01 0.00 0.00 42.92 42.23 1wfg s ASP 88 CO 0.00 -0.95 -0.13 -0.70 0.21 0.00 0.00 175.17 173.60 1wfg s GLU 89 N -4.90 2.35 -0.66 8.23 2.12 -1.26 -0.36 118.70 124.23 1wfg s GLU 89 Ca 0.52 -1.06 -0.27 0.00 0.36 0.00 0.00 54.97 54.52 1wfg s GLU 89 Cb -0.10 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.63 1wfg s GLU 89 CO 0.44 -0.44 1.50 0.08 -0.54 0.00 0.00 175.26 176.30 1wfg s VAL 90 N 1.24 3.61 0.01 3.70 1.01 0.09 -2.57 120.40 127.49 1wfg s VAL 90 Ca -0.03 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1wfg s VAL 90 Cb -0.17 -4.50 -0.14 0.00 0.00 0.00 0.00 36.38 31.57 1wfg s VAL 90 CO -0.08 -1.40 1.07 -0.07 0.00 0.00 0.00 175.10 174.62 1wfg h LEU 91 N 14.16 -0.69 -9.29 3.92 -0.00 0.45 -3.40 115.31 120.46 1wfg h LEU 91 Ca -0.27 -0.01 -0.53 0.00 -0.00 0.00 0.00 57.88 57.07 1wfg h LEU 91 Cb 1.10 0.18 -0.14 0.00 -0.00 0.00 0.00 40.66 41.80 1wfg h LEU 91 CO 1.24 -0.31 -0.65 -1.61 -0.00 0.00 0.00 178.44 177.11 1wfg s GLU 92 N -4.51 1.68 -0.26 1.13 2.02 -0.42 0.90 118.70 119.25 1wfg s GLU 92 Ca -0.13 -1.89 -0.02 0.00 0.02 0.00 0.00 54.97 52.94 1wfg s GLU 92 Cb 0.01 -1.28 0.11 0.00 0.10 0.00 0.00 34.13 33.08 1wfg s GLU 92 CO 0.42 -0.00 0.24 -0.46 0.02 0.00 0.00 175.26 175.48 1wfg s TRP 93 N -2.95 -0.26 -1.24 1.61 -0.11 0.22 -1.49 118.94 114.72 1wfg s TRP 93 Ca 0.32 -0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.51 1wfg s TRP 93 Cb 0.05 -0.49 0.00 0.00 -1.50 0.00 0.00 33.47 31.53 1wfg s TRP 93 CO 0.14 -0.79 0.00 0.09 -4.62 0.00 0.00 176.95 171.78 1wfg n ASN 94 N 5.30 -5.28 0.00 5.86 4.13 0.53 -0.33 115.26 125.48 1wfg n ASN 94 Ca -0.04 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1wfg n ASN 94 Cb 0.47 -3.81 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wfg n GLY 95 N -0.38 0.68 3.53 7.41 0.00 -1.26 -4.95 105.19 110.23 1wfg n GLY 95 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.59 3.42 0.12 1.61 1.81 0.56 -5.03 118.95 120.86 1wfg s ARG 96 Ca 0.00 -0.29 -0.31 0.00 -1.72 0.00 0.00 55.73 53.41 1wfg s ARG 96 Cb 0.00 -3.89 -0.08 0.00 -0.45 0.00 0.00 34.95 30.53 1wfg s ARG 96 CO 0.00 -0.84 1.42 -1.17 -0.68 0.00 0.00 175.30 174.03 1wfg s LEU 97 N 2.59 4.37 0.01 2.53 2.96 -1.26 0.71 118.68 130.59 1wfg s LEU 97 Ca 0.20 2.37 0.22 0.00 -0.22 0.00 0.00 54.13 56.71 1wfg s LEU 97 Cb -0.15 -3.59 -0.28 0.00 0.50 0.00 0.00 46.19 42.67 1wfg s LEU 97 CO 0.16 -0.68 0.57 0.18 -1.32 0.00 0.00 176.35 175.26 1wfg n LEU 98 N 3.93 0.15 -4.51 -0.68 4.77 0.26 -4.62 117.00 116.29 1wfg n LEU 98 Ca 0.12 0.06 -0.44 0.00 -0.03 0.00 0.00 56.01 55.71 1wfg n LEU 98 Cb 0.42 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1wfg n LEU 98 CO 0.59 -0.02 1.91 0.00 -1.33 0.00 0.00 177.39 178.54 1wfg n GLN 99 N -2.34 1.20 0.00 3.23 6.02 -1.21 0.31 117.38 124.60 1wfg n GLN 99 Ca -0.04 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1wfg n GLN 99 Cb 0.58 -2.81 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 6.22 2.94 3.55 1.08 0.00 0.53 -4.98 105.19 114.52 1wfg n GLY 100 Ca 0.40 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 -1.65 4.61 0.00 0.15 -4.60 120.51 118.37 1wfg n ALA 101 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 1wfg n ALA 101 Cb 0.00 -1.94 0.13 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.21 1.98 0.35 0.00 -4.23 -1.26 -2.84 115.64 108.43 1wfg s THR 102 Ca 0.61 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1wfg s THR 102 Cb -0.66 -2.83 0.31 0.00 1.34 0.00 0.00 72.50 70.67 1wfg s THR 102 CO 0.58 0.00 1.89 0.15 -0.54 0.00 0.00 174.62 176.70 1wfg h PHE 103 N -1.46 0.82 -0.00 3.99 3.57 -1.81 -0.74 116.94 121.31 1wfg h PHE 103 Ca -0.48 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1wfg h PHE 103 Cb 1.32 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1wfg h PHE 103 CO 0.01 0.34 -0.19 0.93 -2.23 0.00 0.00 178.31 177.18 1wfg h GLU 104 N 0.73 0.14 -0.45 1.11 5.08 -1.92 -2.83 114.58 116.45 1wfg h GLU 104 Ca 0.42 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1wfg h GLU 104 Cb 0.59 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1wfg h GLU 104 CO -0.18 0.88 -0.28 0.93 -1.00 0.00 0.00 179.01 179.36 1wfg h GLU 105 N -0.55 -0.18 -0.13 2.33 5.08 -1.73 1.32 114.58 120.72 1wfg h GLU 105 Ca -0.02 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1wfg h GLU 105 Cb 0.94 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1wfg h GLU 105 CO 0.04 -0.12 -0.12 0.28 -1.00 0.00 0.00 179.01 178.09 1wfg h VAL 106 N -0.19 0.67 -0.30 3.13 2.07 -1.25 -1.18 116.25 119.20 1wfg h VAL 106 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1wfg h VAL 106 Cb 0.51 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1wfg h VAL 106 CO -0.55 0.00 0.13 0.22 0.02 0.00 0.00 177.57 177.38 1wfg h TYR 107 N -0.14 0.24 -0.44 1.57 5.03 -0.83 -2.51 116.97 119.89 1wfg h TYR 107 Ca 0.09 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.50 1wfg h TYR 107 Cb 0.26 -0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.38 1wfg h TYR 107 CO -0.24 0.12 -0.25 -0.91 -1.32 0.00 0.00 178.16 175.56 1wfg h ASN 108 N 0.28 -0.86 0.00 -2.11 2.35 0.22 -0.43 115.58 115.03 1wfg h ASN 108 Ca 0.13 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1wfg h ASN 108 Cb 0.07 0.44 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1wfg h ASN 108 CO -0.11 -0.27 0.00 -0.38 -1.65 0.00 0.00 177.43 175.02 1wfg n ILE 109 N -5.41 0.00 -0.70 2.81 5.41 -0.50 0.13 119.36 121.11 1wfg n ILE 109 Ca 0.03 1.26 0.52 0.00 1.00 0.00 0.00 62.75 65.56 1wfg n ILE 109 Cb 0.32 -1.89 0.81 0.00 -0.71 0.00 0.00 39.64 38.17 1wfg n ILE 109 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1wfg n ILE 110 N -1.82 -0.01 0.14 1.39 5.41 -1.04 0.12 119.36 123.56 1wfg n ILE 110 Ca 0.00 1.48 -0.09 0.00 1.00 0.00 0.00 62.75 65.15 1wfg n ILE 110 Cb 0.00 -2.47 -0.05 0.00 -0.71 0.00 0.00 39.64 36.41 1wfg n ILE 110 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1wfg h LEU 111 N 0.00 -0.37 -1.45 1.39 6.46 0.18 0.39 115.31 121.92 1wfg h LEU 111 Ca 0.93 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.61 1wfg h LEU 111 Cb 3.71 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 43.74 1wfg h LEU 111 CO -0.03 0.10 0.02 -0.62 -0.62 0.00 0.00 178.44 177.30 1wfg n GLU 112 N -5.07 0.14 -0.33 1.25 1.02 0.36 -0.02 120.64 118.00 1wfg n GLU 112 Ca -0.07 0.64 0.08 0.00 -0.02 0.00 0.00 57.16 57.79 1wfg n GLU 112 Cb 0.22 -1.99 0.15 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.27 1.96 -0.03 1.62 7.64 0.15 -4.70 113.62 117.98 1wfg n SER 113 Ca -0.01 -3.29 -0.15 0.00 1.01 0.00 0.00 58.87 56.42 1wfg n SER 113 Cb 0.06 -0.45 -0.12 0.00 -1.01 0.00 0.00 64.21 62.69 1wfg n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfg h LYS 114 N 0.39 0.11 0.00 1.43 3.64 0.36 -3.26 116.57 119.23 1wfg h LYS 114 Ca -0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1wfg h LYS 114 Cb 1.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1wfg h LYS 114 CO 0.00 0.97 0.00 -1.00 -2.27 0.00 0.00 179.45 177.15 1wfg h PRO 115 N -0.68 0.00 -6.28 1.90 0.13 -1.84 -3.46 132.00 121.76 1wfg h PRO 115 Ca -0.03 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.52 1wfg h PRO 115 Cb 1.05 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.37 1wfg h PRO 115 CO 0.04 0.00 -0.91 0.39 -0.23 0.00 0.00 178.00 177.29 1wfg n GLU 116 N -2.78 0.17 0.01 0.86 1.02 -1.23 -4.90 120.64 113.79 1wfg n GLU 116 Ca 0.03 0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 57.05 1wfg n GLU 116 Cb 0.38 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.25 0.73 -5.27 3.49 0.13 -1.90 -3.46 132.00 125.47 1wfg h PRO 117 Ca -0.44 -0.70 -0.48 0.00 -0.87 0.00 0.00 66.00 63.51 1wfg h PRO 117 Cb 1.39 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.56 1wfg h PRO 117 CO 0.40 1.29 -0.61 1.14 -0.23 0.00 0.00 178.00 179.99 1wfg s GLN 118 N -3.48 1.66 -0.16 0.86 -2.07 -1.26 0.77 119.66 115.98 1wfg s GLN 118 Ca -0.10 -1.92 -0.04 0.00 -1.82 0.00 0.00 55.36 51.48 1wfg s GLN 118 Cb 0.07 -0.93 0.07 0.00 -1.09 0.00 0.00 33.01 31.14 1wfg s GLN 118 CO 0.91 -0.16 0.19 0.08 -1.32 0.00 0.00 175.29 174.99 1wfg s VAL 119 N -3.24 -0.28 -0.39 3.63 1.01 0.52 -4.93 120.40 116.72 1wfg s VAL 119 Ca 0.36 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1wfg s VAL 119 Cb 0.09 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1wfg s VAL 119 CO 0.15 -0.10 0.24 -0.70 0.00 0.00 0.00 175.10 174.69 1wfg s GLU 120 N 2.30 2.80 0.43 2.72 2.12 -1.26 0.11 118.70 127.91 1wfg s GLU 120 Ca 0.05 -1.17 0.02 0.00 0.36 0.00 0.00 54.97 54.22 1wfg s GLU 120 Cb -0.15 -3.79 -0.00 0.00 0.26 0.00 0.00 34.13 30.45 1wfg s GLU 120 CO -0.10 -0.78 0.63 -0.51 -0.54 0.00 0.00 175.26 173.97 1wfg s LEU 121 N 1.54 3.69 -0.21 2.70 1.02 0.33 0.20 118.68 127.95 1wfg s LEU 121 Ca 0.02 0.14 -0.04 0.00 0.02 0.00 0.00 54.13 54.28 1wfg s LEU 121 Cb -0.20 -3.04 0.11 0.00 0.02 0.00 0.00 46.19 43.08 1wfg s LEU 121 CO 0.06 -0.68 0.28 -0.69 0.02 0.00 0.00 176.35 175.34 1wfg s VAL 122 N -2.48 -0.43 0.31 -1.59 1.01 -0.55 -1.57 120.40 115.09 1wfg s VAL 122 Ca 0.48 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1wfg s VAL 122 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1wfg s VAL 122 CO 0.36 -0.16 0.17 0.54 0.00 0.00 0.00 175.10 176.01 1wfg s VAL 123 N 2.41 3.48 -0.22 2.92 0.11 0.26 0.31 120.40 129.66 1wfg s VAL 123 Ca 0.09 -1.60 -0.04 0.00 -2.93 0.00 0.00 61.98 57.50 1wfg s VAL 123 Cb -0.15 -3.08 0.12 0.00 -1.53 0.00 0.00 36.38 31.73 1wfg s VAL 123 CO -0.13 -0.24 0.35 -0.44 -3.33 0.00 0.00 175.10 171.30 1wfg s SER 124 N -3.85 0.36 0.18 3.54 0.01 -1.06 -0.18 113.70 112.69 1wfg s SER 124 Ca 0.37 0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.98 1wfg s SER 124 Cb -0.05 1.00 -0.04 0.00 0.21 0.00 0.00 66.02 67.14 1wfg s SER 124 CO 0.24 -0.29 -0.01 0.00 0.41 0.00 0.00 173.24 173.59 1wfg s ARG 125 N 2.51 2.37 -0.47 12.44 3.03 0.18 -4.63 118.95 134.38 1wfg s ARG 125 Ca 0.09 -1.13 -0.20 0.00 2.03 0.00 0.00 55.73 56.52 1wfg s ARG 125 Cb -0.15 -2.34 0.04 0.00 -1.03 0.00 0.00 34.95 31.47 1wfg s ARG 125 CO -0.14 0.45 0.66 -1.54 -1.13 0.00 0.00 175.30 173.60 1wfg s SER 126 N -2.95 6.29 0.20 -2.89 1.04 -1.26 0.73 113.70 114.87 1wfg s SER 126 Ca 0.27 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1wfg s SER 126 Cb -0.09 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1wfg s SER 126 CO 0.18 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1wfg n GLY 127 N 5.09 -2.44 3.70 7.32 0.00 0.27 -4.93 105.19 114.20 1wfg n GLY 127 Ca -0.03 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.61 4.42 -0.36 1.61 0.04 -1.26 -4.89 135.00 133.94 1wfg s PRO 128 Ca 0.00 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 1wfg s PRO 128 Cb 0.00 -3.42 0.21 0.00 0.04 0.00 0.00 34.50 31.33 1wfg s PRO 128 CO 0.00 -0.30 1.06 0.45 0.04 0.00 0.00 177.00 178.25 1wfg s SER 129 N 1.19 -0.40 -0.15 6.66 0.15 -1.26 -4.79 113.70 115.10 1wfg s SER 129 Ca 0.57 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 1wfg s SER 129 Cb -0.27 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1wfg s SER 129 CO 0.27 -0.02 -0.23 -0.24 1.20 0.00 0.00 173.24 174.23 1wfg n SER 130 N 2.66 1.84 0.00 5.45 2.88 -1.26 -5.16 113.62 120.04 1wfg n SER 130 Ca 0.12 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1wfg n SER 130 Cb 0.64 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1wfg n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42