#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 2.09 -4.57 1.61 2.88 -1.26 -4.78 113.62 109.59 1wfg n SER 2 Ca 0.00 1.11 -0.39 0.00 -1.33 0.00 0.00 58.87 58.26 1wfg n SER 2 Cb 0.00 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.16 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 0.59 4.99 0.00 -3.46 1.04 -1.26 -4.65 113.70 110.96 1wfg s SER 3 Ca 0.82 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.60 1wfg s SER 3 Cb -0.86 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 62.75 1wfg s SER 3 CO 0.44 -2.41 0.00 0.61 0.98 0.00 0.00 173.24 172.87 1wfg n GLY 4 N 5.85 0.20 1.75 7.32 0.00 -1.26 -5.15 105.19 113.90 1wfg n GLY 4 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1wfg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 5 N -0.57 -6.97 -1.94 1.61 7.64 -1.26 -4.95 113.62 107.18 1wfg n SER 5 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1wfg n SER 5 Cb 0.00 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1wfg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfg n SER 6 N 1.27 -7.75 -3.59 6.43 7.64 -1.26 -5.08 113.62 111.29 1wfg n SER 6 Ca 0.00 1.32 -0.02 0.00 1.01 0.00 0.00 58.87 61.18 1wfg n SER 6 Cb 0.00 -4.25 -0.05 0.00 -1.01 0.00 0.00 64.21 58.90 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 -0.44 -0.43 0.18 0.23 0.00 -1.26 -5.17 107.32 100.43 1wfg s GLY 7 Ca 0.00 2.69 0.05 0.00 0.00 0.00 0.00 44.72 47.47 1wfg s GLY 7 CO 0.00 2.85 0.16 -2.38 0.00 0.00 0.00 173.10 173.74 1wfg s HIS 8 N 2.17 3.17 0.00 1.90 -0.00 -1.26 -4.91 115.29 116.36 1wfg s HIS 8 Ca -0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 55.06 54.97 1wfg s HIS 8 Cb -0.07 -1.50 0.00 0.00 -0.00 0.00 0.00 32.58 31.01 1wfg s HIS 8 CO -0.18 0.52 0.00 0.43 -0.00 0.00 0.00 174.74 175.51 1wfg n SER 9 N -0.55 0.00 -3.62 7.38 7.64 -1.26 -5.14 113.62 118.07 1wfg n SER 9 Ca -0.08 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.66 1wfg n SER 9 Cb 0.55 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 1wfg n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wfg s HIS 10 N 0.00 -0.77 -0.63 1.43 0.09 -1.26 -5.00 115.29 109.15 1wfg s HIS 10 Ca 0.00 1.84 -0.02 0.00 -0.00 0.00 0.00 55.06 56.89 1wfg s HIS 10 Cb 0.00 0.28 -0.02 0.00 -0.00 0.00 0.00 32.58 32.84 1wfg s HIS 10 CO 0.00 -0.40 0.57 0.43 -0.00 0.00 0.00 174.74 175.34 1wfg n SER 11 N 2.53 -5.99 -4.09 1.40 7.64 -1.26 -4.97 113.62 108.88 1wfg n SER 11 Ca -0.14 -0.22 -0.36 0.00 1.01 0.00 0.00 58.87 59.16 1wfg n SER 11 Cb 0.55 -4.11 -0.07 0.00 -1.01 0.00 0.00 64.21 59.57 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 -1.99 4.19 -3.78 6.43 9.92 -1.26 -4.94 116.55 125.12 1wfg n ASP 12 Ca -0.02 -3.15 -0.30 0.00 -0.53 0.00 0.00 54.79 50.80 1wfg n ASP 12 Cb 0.53 -1.04 -0.09 0.00 -0.64 0.00 0.00 41.12 39.88 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wfg n LYS 13 N 2.24 2.34 -1.33 -1.24 5.02 -1.26 -5.08 118.16 118.85 1wfg n LYS 13 Ca 0.22 -4.56 -0.39 0.00 -2.02 0.00 0.00 58.31 51.56 1wfg n LYS 13 Cb 0.37 -2.31 0.02 0.00 -0.02 0.00 0.00 35.03 33.08 1wfg n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1wfg n HIS 14 N 1.61 -2.01 0.08 2.13 8.25 -1.26 -4.87 115.22 119.15 1wfg n HIS 14 Ca 0.24 0.48 -0.09 0.00 -0.26 0.00 0.00 57.72 58.09 1wfg n HIS 14 Cb 0.37 -1.79 0.01 0.00 1.12 0.00 0.00 29.99 29.70 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 0.16 0.26 -5.71 -0.41 0.13 -1.95 -3.44 132.00 121.04 1wfg h PRO 15 Ca -0.42 -0.25 -0.67 0.00 -0.87 0.00 0.00 66.00 63.80 1wfg h PRO 15 Cb 1.43 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.52 1wfg h PRO 15 CO 0.45 0.94 -0.53 0.08 -0.23 0.00 0.00 178.00 178.71 1wfg s VAL 16 N -3.36 5.08 -0.12 1.56 1.01 -1.26 -2.93 120.40 120.37 1wfg s VAL 16 Ca -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1wfg s VAL 16 Cb 0.10 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.33 1wfg s VAL 16 CO 0.83 0.60 0.29 0.42 0.00 0.00 0.00 175.10 177.23 1wfg s THR 17 N -0.83 -0.06 -0.28 3.92 -4.23 0.08 -4.99 115.64 109.24 1wfg s THR 17 Ca 0.13 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1wfg s THR 17 Cb -0.12 -0.44 0.06 0.00 1.34 0.00 0.00 72.50 73.35 1wfg s THR 17 CO 0.03 0.06 -0.07 0.26 -0.54 0.00 0.00 174.62 174.36 1wfg s TRP 18 N 1.36 3.32 0.06 3.99 0.52 -1.26 0.85 118.94 127.78 1wfg s TRP 18 Ca -0.09 -2.29 0.03 0.00 0.02 0.00 0.00 56.10 53.77 1wfg s TRP 18 Cb -0.10 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 1wfg s TRP 18 CO -0.10 -0.87 -0.09 -0.65 0.02 0.00 0.00 176.95 175.26 1wfg s GLN 19 N 1.12 0.66 0.65 4.98 -1.52 0.76 -4.98 119.66 121.33 1wfg s GLN 19 Ca -0.06 -0.94 -0.13 0.00 -1.95 0.00 0.00 55.36 52.28 1wfg s GLN 19 Cb -0.20 -0.39 -0.01 0.00 -0.22 0.00 0.00 33.01 32.19 1wfg s GLN 19 CO -0.04 0.06 1.05 -1.25 -0.25 0.00 0.00 175.29 174.86 1wfg s PRO 20 N -2.14 3.14 0.72 2.91 0.04 -1.26 0.17 135.00 138.58 1wfg s PRO 20 Ca -0.03 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 1wfg s PRO 20 Cb -0.07 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.64 1wfg s PRO 20 CO -0.00 -0.94 0.70 -1.13 0.04 0.00 0.00 177.00 175.67 1wfg n SER 21 N -2.62 -1.30 -0.09 6.66 3.41 -0.17 -4.63 113.62 114.88 1wfg n SER 21 Ca 0.08 -0.99 -0.06 0.00 -0.26 0.00 0.00 58.87 57.63 1wfg n SER 21 Cb 0.53 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.14 0.00 4.33 3.11 -1.97 -3.11 116.57 118.80 1wfg h LYS 22 Ca -0.26 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1wfg h LYS 22 Cb 0.76 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1wfg h LYS 22 CO 0.17 -0.09 0.00 -3.47 -2.81 0.00 0.00 179.45 173.25 1wfg n ASP 23 N -5.35 0.00 0.00 4.20 2.03 -1.26 -4.99 116.55 111.17 1wfg n ASP 23 Ca 0.01 0.85 0.00 0.00 0.52 0.00 0.00 54.79 56.16 1wfg n ASP 23 Cb 0.27 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1wfg n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfg n GLY 24 N -0.09 3.68 0.37 0.27 0.00 -1.18 -4.94 105.19 103.30 1wfg n GLY 24 Ca 0.00 -0.56 0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.13 1.61 5.19 -1.93 -3.40 116.42 116.76 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 -0.09 0.00 0.18 0.00 0.00 39.33 39.42 1wfg h ASP 25 CO 0.00 0.00 -0.61 -0.13 -3.12 0.00 0.00 179.24 175.38 1wfg s ARG 26 N -4.41 2.82 -0.19 3.56 1.81 -1.26 0.16 118.95 121.44 1wfg s ARG 26 Ca -0.04 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1wfg s ARG 26 Cb 0.13 -2.68 0.02 0.00 -0.45 0.00 0.00 34.95 31.97 1wfg s ARG 26 CO 0.44 0.55 -0.18 -1.17 -0.68 0.00 0.00 175.30 174.26 1wfg s LEU 27 N -2.50 2.30 -0.35 2.53 1.98 0.45 -1.00 118.68 122.10 1wfg s LEU 27 Ca 0.29 -0.66 -0.14 0.00 -2.89 0.00 0.00 54.13 50.73 1wfg s LEU 27 Cb -0.12 -1.52 -0.01 0.00 0.66 0.00 0.00 46.19 45.20 1wfg s LEU 27 CO 0.22 -0.01 0.31 -0.63 -1.89 0.00 0.00 176.35 174.34 1wfg s ILE 28 N 1.30 5.22 -0.09 6.68 -1.09 0.45 -0.67 121.20 133.02 1wfg s ILE 28 Ca 0.04 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1wfg s ILE 28 Cb -0.14 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1wfg s ILE 28 CO -0.11 -0.07 -0.03 -0.83 -1.23 0.00 0.00 174.94 172.66 1wfg s GLY 29 N 1.73 1.77 -0.13 6.18 0.00 0.77 -0.17 107.32 117.47 1wfg s GLY 29 Ca 0.09 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1wfg s GLY 29 CO 0.11 -0.55 -0.17 0.50 0.00 0.00 0.00 173.10 173.00 1wfg s ARG 30 N -0.69 2.49 -0.24 2.90 0.52 0.25 0.27 118.95 124.45 1wfg s ARG 30 Ca 0.11 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1wfg s ARG 30 Cb -0.12 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.26 1wfg s ARG 30 CO 0.02 -0.11 -0.10 0.42 0.02 0.00 0.00 175.30 175.55 1wfg s ILE 31 N 1.10 2.49 -0.09 1.52 1.09 -0.88 -0.74 121.20 125.68 1wfg s ILE 31 Ca -0.03 -1.20 0.00 0.00 -1.10 0.00 0.00 60.65 58.33 1wfg s ILE 31 Cb -0.14 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.95 1wfg s ILE 31 CO -0.05 0.20 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.68 1wfg s LEU 32 N 1.25 2.99 0.07 2.97 1.98 -1.15 0.15 118.68 126.94 1wfg s LEU 32 Ca -0.02 -0.14 0.10 0.00 -2.89 0.00 0.00 54.13 51.18 1wfg s LEU 32 Cb -0.17 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 44.99 1wfg s LEU 32 CO -0.06 0.28 -0.27 -0.76 -1.89 0.00 0.00 176.35 173.66 1wfg s LEU 33 N -0.35 2.21 -0.07 -0.68 2.01 -0.57 -4.62 118.68 116.61 1wfg s LEU 33 Ca 0.04 -0.63 0.01 0.00 0.01 0.00 0.00 54.13 53.57 1wfg s LEU 33 Cb -0.12 -1.27 0.02 0.00 0.01 0.00 0.00 46.19 44.83 1wfg s LEU 33 CO 0.02 0.24 -0.09 0.21 1.01 0.00 0.00 176.35 177.74 1wfg s ASN 34 N -1.45 1.63 -0.12 2.29 2.47 -1.26 -1.79 114.94 116.70 1wfg s ASN 34 Ca 0.12 -0.25 0.09 0.00 0.42 0.00 0.00 52.86 53.24 1wfg s ASN 34 Cb -0.10 -0.72 -0.14 0.00 -1.45 0.00 0.00 41.25 38.84 1wfg s ASN 34 CO 0.03 -0.03 0.01 0.29 -3.72 0.00 0.00 177.10 173.68 1wfg n LYS 35 N 4.14 1.74 -1.20 0.43 5.02 -0.35 -4.98 118.16 122.97 1wfg n LYS 35 Ca -0.21 0.01 -0.56 0.00 -2.02 0.00 0.00 58.31 55.54 1wfg n LYS 35 Cb 0.51 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.54 0.00 -0.04 1.97 1.74 -1.24 -4.40 116.66 112.15 1wfg n ARG 36 Ca -0.21 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.85 1wfg n ARG 36 Cb 0.87 -1.37 0.02 0.00 -1.02 0.00 0.00 32.46 30.96 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 6.44 0.00 -0.30 0.55 4.77 -1.26 -4.55 117.00 122.64 1wfg n LEU 37 Ca 0.47 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 1wfg n LEU 37 Cb -0.04 -0.07 0.32 0.00 -2.33 0.00 0.00 43.42 41.30 1wfg n LEU 37 CO 0.80 -1.39 1.23 0.50 -1.33 0.00 0.00 177.39 177.20 1wfg h LYS 38 N 0.00 0.81 -0.02 3.23 1.63 -2.03 0.17 116.57 120.35 1wfg h LYS 38 Ca -0.03 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.53 1wfg h LYS 38 Cb 0.09 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1wfg h LYS 38 CO 0.02 0.53 -0.84 0.22 -3.45 0.00 0.00 179.45 175.93 1wfg h ASP 39 N 0.83 0.40 -1.70 4.20 3.58 -1.99 -3.48 116.42 118.26 1wfg h ASP 39 Ca 0.46 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1wfg h ASP 39 Cb 0.59 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1wfg h ASP 39 CO -0.22 1.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.82 1wfg n GLY 40 N 0.77 0.58 0.00 -0.78 0.00 0.58 -5.00 105.19 101.35 1wfg n GLY 40 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.85 0.80 -1.77 1.61 2.88 -1.26 -4.83 113.62 110.20 1wfg n SER 41 Ca 0.00 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.22 1wfg n SER 41 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.16 -5.60 -1.53 2.46 0.31 -1.26 -4.93 118.33 107.63 1wfg n VAL 42 Ca 0.00 2.56 -0.29 0.00 -0.01 0.00 0.00 64.34 66.60 1wfg n VAL 42 Cb 0.30 -3.41 0.17 0.00 -0.91 0.00 0.00 33.84 29.99 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 -2.67 0.43 0.33 5.55 0.04 -1.26 -4.87 135.00 132.55 1wfg s PRO 43 Ca 0.00 0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.14 1wfg s PRO 43 Cb 0.00 -1.78 0.95 0.00 0.04 0.00 0.00 34.50 33.71 1wfg s PRO 43 CO 0.00 -2.62 1.56 0.54 0.04 0.00 0.00 177.00 176.52 1wfg n ARG 44 N -4.01 -0.07 0.00 4.56 5.12 -1.26 -4.26 116.66 116.73 1wfg n ARG 44 Ca 0.10 1.45 0.00 0.00 -1.93 0.00 0.00 57.85 57.47 1wfg n ARG 44 Cb 0.59 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 1wfg n ARG 44 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1wfg n ASP 45 N -5.41 0.00 -0.08 0.55 5.68 -1.26 -5.04 116.55 110.99 1wfg n ASP 45 Ca 0.28 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.48 1wfg n ASP 45 Cb 0.94 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.89 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 0.34 0.00 -1.12 0.87 -1.96 -3.44 113.55 108.25 1wfg h SER 46 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wfg h SER 46 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1wfg h SER 46 CO 0.00 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1wfg n GLY 47 N -1.02 -1.58 0.19 5.77 0.00 -1.26 -4.98 105.19 102.31 1wfg n GLY 47 Ca -0.02 0.97 -0.03 0.00 0.00 0.00 0.00 46.02 46.94 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 0.37 -0.18 4.61 0.00 -1.85 0.64 119.26 122.85 1wfg h ALA 48 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wfg h ALA 48 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wfg h ALA 48 CO 0.00 -0.42 0.00 -1.33 0.00 0.00 0.00 179.25 177.50 1wfg n MET 49 N -5.29 1.84 0.00 0.00 2.81 -1.26 -4.68 117.12 110.54 1wfg n MET 49 Ca 0.04 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.11 1wfg n MET 49 Cb 0.25 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.15 0.00 0.00 4.03 7.99 0.22 -2.81 117.00 126.58 1wfg n LEU 50 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1wfg n LEU 50 Cb 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1wfg n LEU 50 CO 0.07 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 1wfg n GLY 51 N 0.00 0.31 3.98 -0.72 0.00 -1.26 -3.70 105.19 103.80 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 3.83 -0.01 0.99 -0.00 -1.12 -2.31 118.68 120.06 1wfg s LEU 52 Ca 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 54.13 54.05 1wfg s LEU 52 Cb 0.00 -2.83 -0.03 0.00 -0.00 0.00 0.00 46.19 43.33 1wfg s LEU 52 CO 0.00 -0.57 -0.08 -0.75 -0.00 0.00 0.00 176.35 174.96 1wfg s LYS 53 N -4.30 2.56 0.01 1.48 2.36 0.15 -4.87 119.74 117.12 1wfg s LYS 53 Ca 0.48 -0.71 0.05 0.00 -2.55 0.00 0.00 55.97 53.24 1wfg s LYS 53 Cb -0.10 -2.50 -0.02 0.00 -1.05 0.00 0.00 37.83 34.17 1wfg s LYS 53 CO 0.33 0.61 -0.16 0.08 1.55 0.00 0.00 175.35 177.76 1wfg s VAL 54 N -0.96 1.25 -0.18 4.02 1.01 -1.26 -2.22 120.40 122.06 1wfg s VAL 54 Ca 0.16 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1wfg s VAL 54 Cb -0.11 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.24 1wfg s VAL 54 CO 0.06 0.22 -0.05 -0.69 0.00 0.00 0.00 175.10 174.64 1wfg s VAL 55 N -0.57 1.19 0.00 2.92 1.01 -1.06 -4.96 120.40 118.93 1wfg s VAL 55 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1wfg s VAL 55 Cb -0.07 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1wfg s VAL 55 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1wfg n GLY 56 N 4.84 1.78 2.26 4.51 0.00 -1.26 -2.25 105.19 115.07 1wfg n GLY 56 Ca -0.12 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 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 1.23 3.67 -0.02 0.00 -1.23 -4.32 105.19 109.52 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 -3.01 4.27 -0.44 1.61 2.20 -1.15 -4.66 119.74 118.55 1wfg s LYS 58 Ca 0.00 1.80 -0.29 0.00 -0.36 0.00 0.00 55.97 57.12 1wfg s LYS 58 Cb 0.00 -3.70 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1wfg s LYS 58 CO 0.00 -0.63 1.22 -1.64 -0.36 0.00 0.00 175.35 173.94 1wfg s MET 59 N 2.99 3.72 0.00 4.03 -1.94 -1.26 -2.85 119.30 123.98 1wfg s MET 59 Ca 0.59 0.73 0.00 0.00 -1.71 0.00 0.00 55.69 55.30 1wfg s MET 59 Cb -0.26 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.65 1wfg s MET 59 CO 0.21 -1.39 0.00 0.25 -0.01 0.00 0.00 175.02 174.08 1wfg n THR 60 N 6.81 0.00 0.91 2.05 -2.24 0.47 -4.92 114.28 117.37 1wfg n THR 60 Ca 0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1wfg n THR 60 Cb 0.48 -1.69 0.40 0.00 -2.10 0.00 0.00 70.33 67.42 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 -1.12 0.06 -0.55 -0.78 0.28 -1.26 -3.22 120.64 114.06 1wfg n GLU 61 Ca 0.00 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.11 1wfg n GLU 61 Cb 0.00 -1.56 0.30 0.00 1.43 0.00 0.00 31.44 31.62 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 -1.66 4.40 -2.34 -1.84 7.64 -1.26 -4.92 113.62 113.64 1wfg n SER 62 Ca 0.06 -2.67 -0.18 0.00 1.01 0.00 0.00 58.87 57.08 1wfg n SER 62 Cb 0.36 -0.54 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.38 -0.35 3.74 0.23 0.00 -1.20 -5.00 105.19 102.99 1wfg n GLY 63 Ca 0.23 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.24 2.42 -0.06 1.61 0.52 -1.26 -4.86 118.95 112.08 1wfg s ARG 64 Ca 0.14 -1.48 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1wfg s ARG 64 Cb -0.06 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1wfg s ARG 64 CO 0.18 0.16 -0.12 -0.51 0.02 0.00 0.00 175.30 175.04 1wfg s LEU 65 N -3.83 2.89 0.06 2.53 1.43 -1.25 -0.39 118.68 120.11 1wfg s LEU 65 Ca 0.37 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.06 1wfg s LEU 65 Cb -0.04 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.66 1wfg s LEU 65 CO 0.23 0.34 0.70 0.00 0.23 0.00 0.00 176.35 177.85 1wfg s ALA 67 N -2.82 3.70 -0.02 0.00 0.00 -1.26 -2.95 121.76 118.41 1wfg s ALA 67 Ca -0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1wfg s ALA 67 Cb -0.01 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.49 1wfg s ALA 67 CO -0.06 0.73 0.13 -0.06 0.00 0.00 0.00 175.76 176.51 1wfg s PHE 68 N -1.30 -0.03 -0.00 0.00 0.08 -0.95 -2.98 117.98 112.78 1wfg s PHE 68 Ca 0.27 0.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.09 1wfg s PHE 68 Cb -0.12 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.26 1wfg s PHE 68 CO 0.18 -0.20 1.46 0.42 -0.10 0.00 0.00 175.22 176.99 1wfg s ILE 69 N -0.77 3.62 -0.22 0.64 1.01 -0.11 -2.55 121.20 122.82 1wfg s ILE 69 Ca -0.09 0.98 -0.17 0.00 0.00 0.00 0.00 60.65 61.37 1wfg s ILE 69 Cb -0.05 -3.63 -0.18 0.00 0.01 0.00 0.00 42.46 38.61 1wfg s ILE 69 CO 0.01 -0.02 0.05 0.35 0.00 0.00 0.00 174.94 175.33 1wfg n THR 70 N 4.80 1.55 -3.79 2.92 -2.24 -0.94 -1.32 114.28 115.25 1wfg n THR 70 Ca 0.14 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1wfg n THR 70 Cb 0.43 -1.95 -0.08 0.00 -2.10 0.00 0.00 70.33 66.63 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 -2.43 0.75 -0.04 -0.78 2.20 -1.26 -4.67 119.74 113.51 1wfg s LYS 71 Ca -0.31 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 54.81 1wfg s LYS 71 Cb 0.09 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1wfg s LYS 71 CO 0.58 -0.23 -0.16 0.08 -0.36 0.00 0.00 175.35 175.26 1wfg s VAL 72 N -2.44 1.34 -0.15 4.02 1.01 -1.26 -0.67 120.40 122.25 1wfg s VAL 72 Ca -0.06 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1wfg s VAL 72 Cb -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1wfg s VAL 72 CO -0.03 0.39 1.39 -0.75 0.00 0.00 0.00 175.10 176.10 1wfg s LYS 73 N 0.04 4.16 -0.56 2.72 2.47 -0.98 -4.93 119.74 122.67 1wfg s LYS 73 Ca -0.03 1.76 -0.27 0.00 -1.56 0.00 0.00 55.97 55.86 1wfg s LYS 73 Cb -0.11 -3.85 -0.00 0.00 -1.46 0.00 0.00 37.83 32.41 1wfg s LYS 73 CO 0.02 -0.82 1.65 0.21 0.16 0.00 0.00 175.35 176.57 1wfg s LYS 74 N 3.77 3.02 0.00 4.03 2.36 -1.26 -2.73 119.74 128.93 1wfg s LYS 74 Ca 0.61 0.63 0.00 0.00 -2.55 0.00 0.00 55.97 54.66 1wfg s LYS 74 Cb -0.24 -4.25 0.00 0.00 -1.05 0.00 0.00 37.83 32.29 1wfg s LYS 74 CO 0.20 -2.27 0.00 0.41 1.55 0.00 0.00 175.35 175.24 1wfg n GLY 75 N 5.47 0.95 3.25 5.54 0.00 -1.26 -5.10 105.19 114.05 1wfg n GLY 75 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.86 1.05 0.08 1.61 0.15 -1.10 -4.92 113.70 108.71 1wfg s SER 76 Ca 0.00 -1.26 -0.17 0.00 0.70 0.00 0.00 55.95 55.22 1wfg s SER 76 Cb 0.00 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1wfg s SER 76 CO 0.00 -0.65 1.29 -0.07 1.20 0.00 0.00 173.24 175.00 1wfg h LEU 77 N 2.61 -1.14 -5.54 3.45 3.38 -1.89 1.22 115.31 117.39 1wfg h LEU 77 Ca -0.37 0.17 -0.46 0.00 0.09 0.00 0.00 57.88 57.31 1wfg h LEU 77 Cb 1.22 0.50 0.02 0.00 0.09 0.00 0.00 40.66 42.49 1wfg h LEU 77 CO 0.61 -0.13 2.74 0.00 0.09 0.00 0.00 178.44 181.75 1wfg n ALA 78 N -3.11 4.90 0.00 1.53 0.00 -1.26 -0.89 120.51 121.68 1wfg n ALA 78 Ca 0.01 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1wfg n ALA 78 Cb 0.14 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 4.63 0.00 0.11 0.00 -0.08 -0.13 -4.06 116.55 117.01 1wfg n ASP 79 Ca 0.50 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.54 1wfg n ASP 79 Cb 0.19 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.49 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1wfg h THR 80 N 0.00 1.11 0.00 5.18 1.35 0.18 -2.75 112.91 117.98 1wfg h THR 80 Ca 0.00 -2.62 -0.23 0.00 -0.55 0.00 0.00 66.41 63.02 1wfg h THR 80 Cb 0.00 2.90 -0.04 0.00 -1.73 0.00 0.00 68.15 69.28 1wfg h THR 80 CO 0.00 0.84 -1.85 1.33 -0.25 0.00 0.00 175.52 175.58 1wfg n VAL 81 N -3.64 0.86 0.12 6.82 0.24 -0.45 -4.62 118.33 117.65 1wfg n VAL 81 Ca -0.21 -0.34 -0.20 0.00 -2.04 0.00 0.00 64.34 61.55 1wfg n VAL 81 Cb 1.09 -1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 32.30 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 1.24 0.44 -0.51 7.63 0.00 -1.24 -3.45 103.07 107.19 1wfg h GLY 82 Ca -0.33 -1.13 -0.22 0.00 0.00 0.00 0.00 47.33 45.65 1wfg h GLY 82 CO -0.05 0.99 -0.20 1.42 0.00 0.00 0.00 176.54 178.70 1wfg n HIS 83 N -3.61 0.00 -0.75 5.60 -0.00 -1.04 -4.71 115.22 110.71 1wfg n HIS 83 Ca -0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.26 1wfg n HIS 83 Cb 1.06 -2.56 0.14 0.00 -0.00 0.00 0.00 29.99 28.63 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 -1.22 -2.19 -3.76 2.41 4.77 -1.26 -4.83 117.00 110.92 1wfg n LEU 84 Ca -0.11 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1wfg n LEU 84 Cb 0.54 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 1wfg n LEU 84 CO 0.16 -3.26 0.02 -0.13 -1.33 0.00 0.00 177.39 172.86 1wfg s ARG 85 N -3.22 0.73 -0.45 3.23 1.81 -1.26 -4.71 118.95 115.08 1wfg s ARG 85 Ca 0.53 -0.35 -0.28 0.00 -1.72 0.00 0.00 55.73 53.90 1wfg s ARG 85 Cb -0.11 0.32 0.01 0.00 -0.45 0.00 0.00 34.95 34.72 1wfg s ARG 85 CO 0.67 -0.22 1.43 -1.25 -0.68 0.00 0.00 175.30 175.25 1wfg s PRO 86 N -1.93 3.48 0.00 3.54 0.04 -1.26 -3.04 135.00 135.82 1wfg s PRO 86 Ca -0.09 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1wfg s PRO 86 Cb -0.03 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1wfg s PRO 86 CO 0.01 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.76 1wfg n GLY 87 N 5.15 0.60 3.85 0.56 0.00 -0.44 -4.94 105.19 109.97 1wfg n GLY 87 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 6.57 -0.41 1.61 1.01 -1.17 -4.81 116.67 119.46 1wfg s ASP 88 Ca 0.00 1.51 -0.08 0.00 0.71 0.00 0.00 52.55 54.69 1wfg s ASP 88 Cb 0.00 -2.48 0.08 0.00 1.01 0.00 0.00 42.92 41.53 1wfg s ASP 88 CO 0.00 -0.60 0.24 -0.70 0.21 0.00 0.00 175.17 174.32 1wfg s GLU 89 N -4.18 2.51 -0.76 8.23 2.12 -1.26 -0.93 118.70 124.42 1wfg s GLU 89 Ca 0.58 -1.51 -0.25 0.00 0.36 0.00 0.00 54.97 54.14 1wfg s GLU 89 Cb -0.10 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 1wfg s GLU 89 CO 0.34 -0.97 1.85 0.54 -0.54 0.00 0.00 175.26 176.49 1wfg s VAL 90 N 1.38 3.44 0.08 3.70 0.11 -1.16 -2.26 120.40 125.68 1wfg s VAL 90 Ca 0.03 -0.08 -0.37 0.00 -2.93 0.00 0.00 61.98 58.63 1wfg s VAL 90 Cb -0.23 -4.07 -0.18 0.00 -1.53 0.00 0.00 36.38 30.37 1wfg s VAL 90 CO 0.01 -1.02 1.57 -0.07 -3.33 0.00 0.00 175.10 172.26 1wfg h LEU 91 N 16.74 -1.29 -9.53 2.54 3.38 0.46 -3.42 115.31 124.19 1wfg h LEU 91 Ca -0.08 0.09 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1wfg h LEU 91 Cb 1.08 0.40 -0.13 0.00 0.09 0.00 0.00 40.66 42.10 1wfg h LEU 91 CO 1.23 -0.72 -0.65 -1.61 0.09 0.00 0.00 178.44 176.78 1wfg s GLU 92 N -5.92 1.91 -0.34 1.13 2.02 -0.55 -0.40 118.70 116.55 1wfg s GLU 92 Ca -0.19 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 52.86 1wfg s GLU 92 Cb 0.04 -1.74 0.14 0.00 0.10 0.00 0.00 34.13 32.66 1wfg s GLU 92 CO 0.60 0.09 0.24 -0.46 0.02 0.00 0.00 175.26 175.76 1wfg s TRP 93 N -2.62 0.30 0.00 1.61 -0.11 0.33 -1.95 118.94 116.50 1wfg s TRP 93 Ca 0.34 -1.18 0.00 0.00 1.22 0.00 0.00 56.10 56.47 1wfg s TRP 93 Cb 0.04 -0.74 0.00 0.00 -1.50 0.00 0.00 33.47 31.26 1wfg s TRP 93 CO 0.18 -0.87 0.00 -1.71 -4.62 0.00 0.00 176.95 169.92 1wfg n ASN 94 N 4.39 0.00 0.00 5.86 5.15 0.60 -2.58 115.26 128.68 1wfg n ASN 94 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1wfg n ASN 94 Cb 0.41 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wfg n GLY 95 N -2.00 1.34 3.69 8.20 0.00 -1.25 -4.78 105.19 110.39 1wfg n GLY 95 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.42 -0.22 1.61 3.00 -1.07 -4.99 118.95 121.71 1wfg s ARG 96 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 55.73 56.93 1wfg s ARG 96 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 34.95 31.43 1wfg s ARG 96 CO 0.00 -0.31 1.12 -1.17 0.00 0.00 0.00 175.30 174.94 1wfg s LEU 97 N 1.87 4.11 0.13 2.53 2.96 -1.26 -0.52 118.68 128.51 1wfg s LEU 97 Ca 0.51 1.46 0.25 0.00 -0.22 0.00 0.00 54.13 56.12 1wfg s LEU 97 Cb -0.21 -3.54 0.46 0.00 0.50 0.00 0.00 46.19 43.41 1wfg s LEU 97 CO 0.21 -0.72 1.43 0.18 -1.32 0.00 0.00 176.35 176.13 1wfg n LEU 98 N 6.47 0.71 -4.61 -0.68 4.77 0.47 -4.45 117.00 119.67 1wfg n LEU 98 Ca 0.13 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.98 1wfg n LEU 98 Cb 0.46 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1wfg n LEU 98 CO 0.54 -0.07 1.63 -1.10 -1.33 0.00 0.00 177.39 177.05 1wfg s GLN 99 N -3.14 3.44 0.00 3.23 -0.21 -1.25 -1.27 119.66 120.46 1wfg s GLN 99 Ca 0.07 1.84 0.00 0.00 0.02 0.00 0.00 55.36 57.30 1wfg s GLN 99 Cb 0.13 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.91 1wfg s GLN 99 CO 0.69 -1.74 0.00 0.41 -2.12 0.00 0.00 175.29 172.53 1wfg n GLY 100 N 5.30 3.20 3.61 3.09 0.00 0.37 -4.99 105.19 115.78 1wfg n GLY 100 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.89 -0.12 -2.68 4.61 0.00 -0.39 -4.64 120.51 116.40 1wfg n ALA 101 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1wfg n ALA 101 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.71 5.13 0.31 0.00 -4.23 -1.26 -3.56 115.64 110.32 1wfg s THR 102 Ca 0.74 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1wfg s THR 102 Cb -0.37 -3.80 0.42 0.00 1.34 0.00 0.00 72.50 70.09 1wfg s THR 102 CO 0.49 -0.39 1.57 0.15 -0.54 0.00 0.00 174.62 175.90 1wfg h PHE 103 N 1.32 -0.08 0.01 3.99 3.57 -1.83 0.67 116.94 124.58 1wfg h PHE 103 Ca -0.49 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1wfg h PHE 103 Cb 1.21 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1wfg h PHE 103 CO 0.53 -0.44 -0.00 0.93 -2.23 0.00 0.00 178.31 177.10 1wfg h GLU 104 N 0.01 -0.01 0.02 1.11 5.08 -1.93 -2.08 114.58 116.77 1wfg h GLU 104 Ca 0.59 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.96 1wfg h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1wfg h GLU 104 CO -0.94 0.04 -0.17 1.49 -1.00 0.00 0.00 179.01 178.43 1wfg h GLU 105 N -0.05 -0.22 -0.98 2.33 4.22 -0.09 0.51 114.58 120.29 1wfg h GLU 105 Ca -0.00 0.02 0.15 0.00 0.08 0.00 0.00 59.36 59.61 1wfg h GLU 105 Cb 0.05 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.19 1wfg h GLU 105 CO 0.00 -0.15 -0.39 0.28 -2.18 0.00 0.00 179.01 176.57 1wfg h VAL 106 N -0.23 0.01 0.39 0.32 2.07 -1.17 0.54 116.25 118.17 1wfg h VAL 106 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1wfg h VAL 106 Cb 0.24 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1wfg h VAL 106 CO -0.11 0.00 -0.49 0.22 0.02 0.00 0.00 177.57 177.22 1wfg h TYR 107 N -0.01 -1.37 -0.50 1.57 5.03 -0.71 -1.46 116.97 119.53 1wfg h TYR 107 Ca 0.34 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.76 1wfg h TYR 107 Cb 0.60 0.54 -0.10 0.00 1.55 0.00 0.00 36.73 39.32 1wfg h TYR 107 CO -0.87 -0.62 -0.34 -0.91 -1.32 0.00 0.00 178.16 174.10 1wfg h ASN 108 N -0.90 -1.15 -0.37 -2.11 2.35 0.23 0.26 115.58 113.89 1wfg h ASN 108 Ca -0.05 0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1wfg h ASN 108 Cb 0.81 0.55 -0.05 0.00 0.05 0.00 0.00 38.32 39.68 1wfg h ASN 108 CO -0.11 -0.31 -0.30 0.40 -1.65 0.00 0.00 177.43 175.46 1wfg h ILE 109 N -0.21 0.00 -0.97 2.81 2.04 0.33 1.81 117.51 123.33 1wfg h ILE 109 Ca 0.20 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.29 1wfg h ILE 109 Cb 0.55 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 1wfg h ILE 109 CO -0.62 0.00 0.63 0.40 0.00 0.00 0.00 178.15 178.56 1wfg h ILE 110 N -0.10 0.62 0.00 -0.67 2.04 -0.22 1.40 117.51 120.58 1wfg h ILE 110 Ca 0.06 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1wfg h ILE 110 Cb 0.26 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1wfg h ILE 110 CO -0.40 0.08 -0.45 0.25 0.00 0.00 0.00 178.15 177.64 1wfg h LEU 111 N 0.45 0.00 -0.49 1.44 5.85 0.43 -1.76 115.31 121.23 1wfg h LEU 111 Ca 0.53 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 1wfg h LEU 111 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1wfg h LEU 111 CO -0.25 0.45 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.94 1wfg h GLU 112 N 0.00 0.00 -0.45 1.25 4.39 1.28 -2.89 114.58 118.17 1wfg h GLU 112 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wfg h GLU 112 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1wfg h GLU 112 CO 0.06 0.03 0.00 -1.13 -1.16 0.00 0.00 179.01 176.81 1wfg n SER 113 N -3.11 4.11 0.06 1.42 3.41 -0.13 -4.48 113.62 114.90 1wfg n SER 113 Ca 0.03 -2.56 -0.13 0.00 -0.26 0.00 0.00 58.87 55.95 1wfg n SER 113 Cb 0.47 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfg h LYS 114 N 2.85 -0.16 -0.00 4.33 1.57 -1.12 -3.19 116.57 120.86 1wfg h LYS 114 Ca 0.00 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1wfg h LYS 114 Cb 1.31 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1wfg h LYS 114 CO 0.19 0.19 -0.75 -1.00 -0.57 0.00 0.00 179.45 177.51 1wfg h PRO 115 N -0.53 0.01 -5.89 3.15 0.13 -1.79 -3.44 132.00 123.64 1wfg h PRO 115 Ca -0.02 -0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.47 1wfg h PRO 115 Cb 0.42 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.68 1wfg h PRO 115 CO 0.03 0.76 -0.70 0.39 -0.23 0.00 0.00 178.00 178.24 1wfg n GLU 116 N -3.65 0.00 0.17 0.86 -0.58 -1.21 -4.84 120.64 111.39 1wfg n GLU 116 Ca -0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 1wfg n GLU 116 Cb 0.73 -0.98 0.22 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.69 0.00 -4.44 3.49 0.13 -1.89 -3.46 132.00 126.51 1wfg h PRO 117 Ca -0.31 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.62 1wfg h PRO 117 Cb 1.42 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.40 1wfg h PRO 117 CO 0.52 0.44 -0.61 1.14 -0.23 0.00 0.00 178.00 179.25 1wfg s GLN 118 N -3.36 1.04 -0.19 0.86 -2.07 -1.26 -1.21 119.66 113.48 1wfg s GLN 118 Ca 0.01 -1.49 -0.04 0.00 -1.82 0.00 0.00 55.36 52.03 1wfg s GLN 118 Cb 0.10 0.26 0.08 0.00 -1.09 0.00 0.00 33.01 32.36 1wfg s GLN 118 CO 0.71 -0.32 0.20 0.08 -1.32 0.00 0.00 175.29 174.63 1wfg s VAL 119 N -4.08 -0.28 -0.45 3.63 1.01 -0.74 -4.93 120.40 114.55 1wfg s VAL 119 Ca 0.29 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 1wfg s VAL 119 Cb 0.07 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1wfg s VAL 119 CO 0.05 -0.18 0.50 -0.70 0.00 0.00 0.00 175.10 174.77 1wfg s GLU 120 N 2.30 3.10 0.47 2.72 2.12 -1.26 -1.51 118.70 126.65 1wfg s GLU 120 Ca 0.06 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 1wfg s GLU 120 Cb -0.15 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 30.20 1wfg s GLU 120 CO -0.11 -0.99 0.73 -0.51 -0.54 0.00 0.00 175.26 173.84 1wfg s LEU 121 N 2.26 3.60 -0.26 2.70 1.43 0.41 0.22 118.68 129.03 1wfg s LEU 121 Ca 0.13 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1wfg s LEU 121 Cb -0.18 -3.39 0.13 0.00 0.03 0.00 0.00 46.19 42.78 1wfg s LEU 121 CO 0.13 -0.71 0.31 -0.69 0.23 0.00 0.00 176.35 175.61 1wfg s VAL 122 N -2.65 -0.45 0.27 -1.59 1.01 -0.82 -2.08 120.40 114.08 1wfg s VAL 122 Ca 0.48 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.23 1wfg s VAL 122 Cb -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1wfg s VAL 122 CO 0.40 -0.32 0.18 0.54 0.00 0.00 0.00 175.10 175.90 1wfg s VAL 123 N 2.41 4.17 -0.02 2.92 0.11 0.14 0.31 120.40 130.44 1wfg s VAL 123 Ca 0.09 -1.48 -0.00 0.00 -2.93 0.00 0.00 61.98 57.67 1wfg s VAL 123 Cb -0.14 -3.29 0.03 0.00 -1.53 0.00 0.00 36.38 31.44 1wfg s VAL 123 CO -0.25 -0.33 0.03 -0.55 -3.33 0.00 0.00 175.10 170.67 1wfg s SER 124 N -3.84 0.14 0.10 3.54 0.15 -0.96 -0.16 113.70 112.67 1wfg s SER 124 Ca 0.34 0.04 0.04 0.00 0.70 0.00 0.00 55.95 57.06 1wfg s SER 124 Cb -0.07 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1wfg s SER 124 CO 0.24 -0.13 -0.10 0.00 1.20 0.00 0.00 173.24 174.45 1wfg s ARG 125 N 1.12 0.85 -0.21 5.44 3.03 0.16 -4.30 118.95 125.05 1wfg s ARG 125 Ca -0.08 -1.18 -0.25 0.00 2.03 0.00 0.00 55.73 56.25 1wfg s ARG 125 Cb -0.13 -0.52 -0.01 0.00 -1.03 0.00 0.00 34.95 33.26 1wfg s ARG 125 CO -0.03 0.07 0.83 -1.54 -1.13 0.00 0.00 175.30 173.51 1wfg s SER 126 N -2.51 6.89 0.82 -2.89 1.04 -1.26 0.17 113.70 115.96 1wfg s SER 126 Ca 0.06 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1wfg s SER 126 Cb -0.02 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1wfg s SER 126 CO -0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1wfg n GLY 127 N 3.60 -3.19 3.77 7.32 0.00 0.43 -4.89 105.19 112.23 1wfg n GLY 127 Ca 0.05 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.46 0.01 -0.36 1.61 0.04 -1.26 -4.68 135.00 127.88 1wfg s PRO 128 Ca 0.00 -0.14 -0.10 0.00 0.04 0.00 0.00 61.00 60.79 1wfg s PRO 128 Cb 0.00 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1wfg s PRO 128 CO 0.00 -2.88 0.47 0.43 0.04 0.00 0.00 177.00 175.06 1wfg n SER 129 N -4.16 -6.51 -4.68 6.66 7.64 -1.26 -4.97 113.62 106.34 1wfg n SER 129 Ca 0.13 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 60.05 1wfg n SER 129 Cb 0.59 -4.34 0.16 0.00 -1.01 0.00 0.00 64.21 59.62 1wfg n SER 129 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfg s SER 130 N -2.30 2.96 0.00 6.43 0.01 -1.26 -5.09 113.70 114.45 1wfg s SER 130 Ca 0.16 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1wfg s SER 130 Cb -0.05 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1wfg s SER 130 CO 0.58 -2.95 0.00 0.61 0.41 0.00 0.00 173.24 171.89