#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 0.00 -1.06 1.61 2.88 -1.26 -4.89 113.62 110.91 1wfg n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1wfg n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wfg n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfg n SER 3 N 3.02 -6.24 0.00 -3.46 2.88 -1.26 -5.07 113.62 103.50 1wfg n SER 3 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1wfg n SER 3 Cb 0.00 -3.46 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 1wfg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 4 N -3.81 2.64 3.58 0.46 0.00 -1.26 -5.18 105.19 101.62 1wfg n GLY 4 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.45 -0.06 1.61 0.15 -1.26 -5.12 113.70 108.58 1wfg s SER 5 Ca 0.00 0.69 -0.29 0.00 0.70 0.00 0.00 55.95 57.04 1wfg s SER 5 Cb 0.00 1.27 -0.07 0.00 -1.71 0.00 0.00 66.02 65.51 1wfg s SER 5 CO 0.00 -0.11 1.92 -0.44 1.20 0.00 0.00 173.24 175.81 1wfg s SER 6 N 1.55 6.30 0.00 5.45 0.01 -1.26 -4.88 113.70 120.87 1wfg s SER 6 Ca -0.07 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.51 1wfg s SER 6 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wfg s SER 6 CO -0.15 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 172.89 1wfg n GLY 7 N 4.71 -0.09 3.99 3.44 0.00 -1.26 -5.08 105.19 110.90 1wfg n GLY 7 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1wfg n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wfg s HIS 8 N 0.00 2.86 0.15 1.61 4.02 -1.26 -5.00 115.29 117.67 1wfg s HIS 8 Ca 0.00 -0.18 -0.31 0.00 1.02 0.00 0.00 55.06 55.59 1wfg s HIS 8 Cb 0.00 -2.54 -0.07 0.00 -1.02 0.00 0.00 32.58 28.94 1wfg s HIS 8 CO 0.00 -0.62 1.54 0.77 1.02 0.00 0.00 174.74 177.45 1wfg h SER 9 N 0.36 -2.02 -3.97 1.40 0.02 -2.00 -3.47 113.55 103.86 1wfg h SER 9 Ca -0.41 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1wfg h SER 9 Cb 1.29 0.88 0.00 0.00 0.14 0.00 0.00 62.40 64.70 1wfg h SER 9 CO 0.49 -0.30 -0.56 1.57 -1.14 0.00 0.00 176.83 176.89 1wfg n HIS 10 N -5.31 -2.88 -1.09 3.45 -0.00 -1.26 -4.98 115.22 103.15 1wfg n HIS 10 Ca 0.00 1.64 0.14 0.00 0.46 0.00 0.00 57.72 59.97 1wfg n HIS 10 Cb 0.30 -2.91 -0.05 0.00 -0.12 0.00 0.00 29.99 27.21 1wfg n HIS 10 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1wfg n SER 11 N 0.69 -6.54 -2.85 0.26 7.64 -1.26 -4.98 113.62 106.58 1wfg n SER 11 Ca 0.00 0.65 -0.03 0.00 1.01 0.00 0.00 58.87 60.50 1wfg n SER 11 Cb 0.00 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.76 1wfg n SER 11 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wfg n ASP 12 N -3.71 -7.40 -3.71 6.43 2.03 -1.26 -5.05 116.55 103.88 1wfg n ASP 12 Ca -0.02 0.17 -0.11 0.00 0.52 0.00 0.00 54.79 55.35 1wfg n ASP 12 Cb 0.51 -5.01 -0.11 0.00 -0.72 0.00 0.00 41.12 35.79 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wfg s LYS 13 N -2.78 0.40 -0.16 -0.67 1.02 -1.26 -5.14 119.74 111.14 1wfg s LYS 13 Ca 0.10 0.71 0.01 0.00 0.02 0.00 0.00 55.97 56.81 1wfg s LYS 13 Cb -0.03 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.34 1wfg s LYS 13 CO 0.70 -0.13 -0.19 -3.38 -0.92 0.00 0.00 175.35 171.42 1wfg s HIS 14 N 1.08 2.62 0.09 3.18 -3.43 -1.26 -5.00 115.29 112.56 1wfg s HIS 14 Ca -0.07 -1.49 -0.13 0.00 -0.80 0.00 0.00 55.06 52.57 1wfg s HIS 14 Cb -0.07 -1.83 -0.19 0.00 -1.43 0.00 0.00 32.58 29.06 1wfg s HIS 14 CO -0.09 -0.74 1.24 -1.00 -2.00 0.00 0.00 174.74 172.15 1wfg h PRO 15 N 7.84 0.72 -5.52 -0.38 0.13 -1.92 -3.44 132.00 129.43 1wfg h PRO 15 Ca -0.42 -0.70 -0.64 0.00 -0.87 0.00 0.00 66.00 63.36 1wfg h PRO 15 Cb 1.15 0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.29 1wfg h PRO 15 CO 0.60 1.29 -0.62 0.08 -0.23 0.00 0.00 178.00 179.13 1wfg s VAL 16 N -3.48 4.34 -0.11 1.56 1.01 -1.26 -1.82 120.40 120.64 1wfg s VAL 16 Ca -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1wfg s VAL 16 Cb 0.08 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.62 1wfg s VAL 16 CO 0.91 0.52 0.23 0.42 0.00 0.00 0.00 175.10 177.19 1wfg s THR 17 N -0.07 -0.27 -0.33 3.92 -4.23 0.22 -4.99 115.64 109.88 1wfg s THR 17 Ca 0.04 0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1wfg s THR 17 Cb -0.13 -0.39 0.05 0.00 1.34 0.00 0.00 72.50 73.37 1wfg s THR 17 CO 0.02 0.11 0.08 0.26 -0.54 0.00 0.00 174.62 174.55 1wfg s TRP 18 N 2.04 3.28 0.05 3.99 0.52 -1.26 0.16 118.94 127.72 1wfg s TRP 18 Ca -0.02 -1.60 0.02 0.00 0.02 0.00 0.00 56.10 54.52 1wfg s TRP 18 Cb -0.12 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1wfg s TRP 18 CO -0.08 -0.77 -0.07 -0.65 0.02 0.00 0.00 176.95 175.40 1wfg s GLN 19 N 1.35 0.54 0.67 4.98 -1.52 -0.54 -4.99 119.66 120.15 1wfg s GLN 19 Ca -0.02 -0.81 -0.12 0.00 -1.95 0.00 0.00 55.36 52.46 1wfg s GLN 19 Cb -0.20 -0.25 -0.00 0.00 -0.22 0.00 0.00 33.01 32.34 1wfg s GLN 19 CO 0.01 0.03 1.06 -1.25 -0.25 0.00 0.00 175.29 174.90 1wfg s PRO 20 N -1.81 3.03 0.42 2.91 0.04 -1.26 0.16 135.00 138.49 1wfg s PRO 20 Ca -0.08 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 61.89 1wfg s PRO 20 Cb -0.08 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1wfg s PRO 20 CO -0.00 -1.02 0.51 0.43 0.04 0.00 0.00 177.00 176.95 1wfg n SER 21 N -2.88 -0.33 -0.04 6.66 7.64 -0.15 -4.62 113.62 119.90 1wfg n SER 21 Ca 0.08 -1.09 -0.08 0.00 1.01 0.00 0.00 58.87 58.79 1wfg n SER 21 Cb 0.53 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1wfg n SER 21 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfg h LYS 22 N 0.00 -0.21 0.45 1.43 3.64 -1.97 -2.97 116.57 116.93 1wfg h LYS 22 Ca -0.17 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1wfg h LYS 22 Cb 0.48 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1wfg h LYS 22 CO 0.12 -0.14 -0.22 0.22 -2.27 0.00 0.00 179.45 177.16 1wfg h ASP 23 N -0.22 -0.51 0.00 4.20 1.82 -1.92 -3.48 116.42 116.31 1wfg h ASP 23 Ca 0.13 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1wfg h ASP 23 Cb 0.42 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1wfg h ASP 23 CO -0.36 -0.32 0.00 0.61 -1.61 0.00 0.00 179.24 177.56 1wfg n GLY 24 N -0.80 4.00 0.46 -0.78 0.00 -1.13 -4.93 105.19 102.01 1wfg n GLY 24 Ca -0.08 -0.93 0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 1.76 0.05 -3.02 1.61 3.32 -1.89 -3.40 116.42 114.85 1wfg h ASP 25 Ca 0.00 0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1wfg h ASP 25 Cb 0.00 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1wfg h ASP 25 CO 0.00 0.02 -0.40 -0.13 -1.72 0.00 0.00 179.24 177.00 1wfg s ARG 26 N -5.03 3.54 -0.17 3.56 1.81 -1.26 0.19 118.95 121.58 1wfg s ARG 26 Ca -0.05 -0.23 -0.01 0.00 -1.72 0.00 0.00 55.73 53.72 1wfg s ARG 26 Cb 0.22 -2.96 -0.00 0.00 -0.45 0.00 0.00 34.95 31.75 1wfg s ARG 26 CO 0.78 0.55 -0.13 -1.17 -0.68 0.00 0.00 175.30 174.65 1wfg s LEU 27 N -2.46 2.54 -0.43 2.53 1.98 0.14 -0.98 118.68 121.99 1wfg s LEU 27 Ca 0.36 -0.47 -0.11 0.00 -2.89 0.00 0.00 54.13 51.02 1wfg s LEU 27 Cb -0.13 -1.59 0.08 0.00 0.66 0.00 0.00 46.19 45.20 1wfg s LEU 27 CO 0.25 0.05 0.30 -0.63 -1.89 0.00 0.00 176.35 174.43 1wfg s ILE 28 N 1.02 4.53 -0.21 6.68 -1.09 0.42 -0.83 121.20 131.71 1wfg s ILE 28 Ca -0.01 -1.29 -0.13 0.00 -2.23 0.00 0.00 60.65 56.99 1wfg s ILE 28 Cb -0.15 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1wfg s ILE 28 CO -0.03 -0.52 0.28 -0.83 -1.23 0.00 0.00 174.94 172.61 1wfg s GLY 29 N 2.24 2.07 -0.31 6.18 0.00 -0.28 -1.47 107.32 115.75 1wfg s GLY 29 Ca 0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 1wfg s GLY 29 CO 0.04 0.57 0.07 -1.60 0.00 0.00 0.00 173.10 172.17 1wfg s ARG 30 N 1.03 2.86 0.04 2.90 3.52 0.43 -0.02 118.95 129.72 1wfg s ARG 30 Ca 0.14 -1.01 0.04 0.00 -0.13 0.00 0.00 55.73 54.77 1wfg s ARG 30 Cb -0.14 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1wfg s ARG 30 CO 0.05 -0.53 -0.05 0.42 -0.81 0.00 0.00 175.30 174.38 1wfg s ILE 31 N 1.44 3.75 -0.03 4.11 1.09 -0.63 0.70 121.20 131.63 1wfg s ILE 31 Ca 0.00 -0.90 -0.02 0.00 -1.10 0.00 0.00 60.65 58.63 1wfg s ILE 31 Cb -0.18 -2.70 0.02 0.00 -1.06 0.00 0.00 42.46 38.54 1wfg s ILE 31 CO 0.02 0.27 0.08 -0.22 -0.10 0.00 0.00 174.94 174.98 1wfg s LEU 32 N -1.81 1.36 0.01 2.97 2.96 -0.76 0.21 118.68 123.63 1wfg s LEU 32 Ca 0.20 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1wfg s LEU 32 Cb -0.11 0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.75 1wfg s LEU 32 CO 0.12 -0.08 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.11 1wfg s LEU 33 N 0.52 2.10 0.00 -0.68 1.43 0.99 -4.68 118.68 118.36 1wfg s LEU 33 Ca -0.04 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1wfg s LEU 33 Cb -0.06 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 1wfg s LEU 33 CO -0.02 0.21 -0.12 0.21 0.23 0.00 0.00 176.35 176.86 1wfg s ASN 34 N -0.81 1.38 -0.10 2.29 2.47 -1.26 0.71 114.94 119.63 1wfg s ASN 34 Ca 0.08 -0.26 0.05 0.00 0.42 0.00 0.00 52.86 53.15 1wfg s ASN 34 Cb -0.08 -0.14 -0.09 0.00 -1.45 0.00 0.00 41.25 39.49 1wfg s ASN 34 CO 0.00 0.11 -0.02 0.29 -3.72 0.00 0.00 177.10 173.77 1wfg n LYS 35 N 2.61 1.70 -1.28 0.43 4.01 0.16 -4.98 118.16 120.80 1wfg n LYS 35 Ca -0.15 0.02 -0.58 0.00 -0.51 0.00 0.00 58.31 57.10 1wfg n LYS 35 Cb 0.56 -1.22 -0.11 0.00 -0.51 0.00 0.00 35.03 33.75 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wfg n ARG 36 N -2.51 0.00 -0.39 1.97 1.74 -1.21 -4.27 116.66 111.98 1wfg n ARG 36 Ca -0.16 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.73 1wfg n ARG 36 Cb 0.75 -1.39 0.17 0.00 -1.02 0.00 0.00 32.46 30.98 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 6.06 0.00 -0.21 0.55 4.77 -1.26 -4.58 117.00 122.33 1wfg n LEU 37 Ca 0.45 -0.63 0.19 0.00 -0.03 0.00 0.00 56.01 55.99 1wfg n LEU 37 Cb -0.04 -0.62 0.53 0.00 -2.33 0.00 0.00 43.42 40.96 1wfg n LEU 37 CO 0.82 -2.03 1.22 0.50 -1.33 0.00 0.00 177.39 176.57 1wfg h LYS 38 N 0.00 0.35 -0.05 3.23 1.63 -2.03 0.42 116.57 120.13 1wfg h LYS 38 Ca -0.25 -0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.30 1wfg h LYS 38 Cb 0.80 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1wfg h LYS 38 CO 0.16 0.23 -0.89 -0.44 -3.45 0.00 0.00 179.45 175.06 1wfg h ASP 39 N 0.37 0.70 -1.17 4.20 5.19 -1.99 -3.48 116.42 120.24 1wfg h ASP 39 Ca 0.44 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1wfg h ASP 39 Cb 1.14 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1wfg h ASP 39 CO -0.15 1.31 0.00 0.61 -3.12 0.00 0.00 179.24 177.89 1wfg n GLY 40 N 0.86 0.48 0.00 2.75 0.00 0.15 -5.00 105.19 104.42 1wfg n GLY 40 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1wfg n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 41 N -0.58 0.80 -1.79 1.61 7.64 -1.26 -4.85 113.62 115.18 1wfg n SER 41 Ca 0.00 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.55 1wfg n SER 41 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1wfg n SER 41 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wfg n VAL 42 N -0.17 -5.64 -0.68 0.44 0.31 -1.26 -4.92 118.33 106.41 1wfg n VAL 42 Ca 0.00 2.58 0.00 0.00 -0.01 0.00 0.00 64.34 66.91 1wfg n VAL 42 Cb 0.31 -3.43 0.00 0.00 -0.91 0.00 0.00 33.84 29.81 1wfg n VAL 42 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wfg n PRO 43 N 0.11 -0.38 -0.30 5.55 -0.04 -1.26 -4.83 135.00 133.85 1wfg n PRO 43 Ca 0.00 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 63.75 1wfg n PRO 43 Cb 0.00 0.00 0.53 0.00 -0.04 0.00 0.00 33.50 33.99 1wfg n PRO 43 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfg n ARG 44 N -1.14 -0.06 0.00 0.54 1.74 -1.26 -4.57 116.66 111.91 1wfg n ARG 44 Ca 0.00 1.28 0.00 0.00 -0.77 0.00 0.00 57.85 58.36 1wfg n ARG 44 Cb 0.00 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1wfg n ARG 44 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1wfg n ASP 45 N -5.10 0.00 -1.52 0.55 5.75 -1.26 -5.03 116.55 109.95 1wfg n ASP 45 Ca 0.34 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 55.06 1wfg n ASP 45 Cb 1.16 0.05 0.02 0.00 -1.03 0.00 0.00 41.12 41.32 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1wfg n SER 46 N -1.85 -2.76 -2.23 -1.12 2.88 -1.26 -4.58 113.62 102.70 1wfg n SER 46 Ca 0.00 -0.16 -0.03 0.00 -1.33 0.00 0.00 58.87 57.34 1wfg n SER 46 Cb 0.00 -1.82 -0.03 0.00 -0.75 0.00 0.00 64.21 61.61 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 -0.98 -4.45 0.37 0.46 0.00 -1.26 -4.41 105.19 94.92 1wfg n GLY 47 Ca -0.03 1.00 0.15 0.00 0.00 0.00 0.00 46.02 47.13 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 2.63 1.81 -0.22 4.61 0.00 -1.90 1.20 119.26 127.40 1wfg h ALA 48 Ca -0.34 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wfg h ALA 48 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wfg h ALA 48 CO 0.01 -0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.77 1wfg n MET 49 N -4.70 2.35 0.00 0.00 2.81 -1.26 -4.71 117.12 111.61 1wfg n MET 49 Ca 0.23 -1.14 0.00 0.00 -1.81 0.00 0.00 57.70 54.98 1wfg n MET 49 Cb 0.61 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.24 0.00 0.00 4.03 7.99 0.41 -2.70 117.00 126.97 1wfg n LEU 50 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 1wfg n LEU 50 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1wfg n LEU 50 CO 0.11 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 1wfg n GLY 51 N 0.00 0.30 4.00 -0.72 0.00 -1.26 -3.50 105.19 104.00 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 -0.13 0.99 0.05 -1.10 -1.87 118.68 119.99 1wfg s LEU 52 Ca 0.00 -0.31 0.02 0.00 0.05 0.00 0.00 54.13 53.89 1wfg s LEU 52 Cb 0.00 -2.54 0.01 0.00 -2.05 0.00 0.00 46.19 41.60 1wfg s LEU 52 CO 0.00 -1.10 -0.21 -0.75 -0.55 0.00 0.00 176.35 173.74 1wfg s LYS 53 N -4.63 3.07 0.04 1.48 2.20 0.81 -4.81 119.74 117.89 1wfg s LYS 53 Ca 0.58 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 55.39 1wfg s LYS 53 Cb -0.09 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1wfg s LYS 53 CO 0.37 0.04 -0.02 0.08 -0.36 0.00 0.00 175.35 175.45 1wfg s VAL 54 N 0.70 3.93 -0.18 4.02 1.01 -1.26 -1.01 120.40 127.61 1wfg s VAL 54 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wfg s VAL 54 Cb -0.16 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.49 1wfg s VAL 54 CO 0.01 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.69 1wfg s VAL 55 N -1.14 0.89 0.09 2.92 1.01 -0.94 -4.96 120.40 118.27 1wfg s VAL 55 Ca 0.21 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1wfg s VAL 55 Cb -0.11 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1wfg s VAL 55 CO 0.12 -0.03 0.13 0.61 0.00 0.00 0.00 175.10 175.93 1wfg n GLY 56 N 4.93 1.69 2.77 4.51 0.00 -1.26 -1.92 105.19 115.91 1wfg n GLY 56 Ca -0.10 -2.11 -0.03 0.00 0.00 0.00 0.00 46.02 43.78 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 3.93 0.35 3.66 -0.02 0.00 -1.23 -4.11 105.19 107.77 1wfg n GLY 57 Ca 0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.94 4.22 -0.46 1.61 2.47 -1.24 -4.65 119.74 119.75 1wfg s LYS 58 Ca 0.00 1.90 -0.25 0.00 -1.56 0.00 0.00 55.97 56.06 1wfg s LYS 58 Cb 0.00 -3.84 0.03 0.00 -1.46 0.00 0.00 37.83 32.56 1wfg s LYS 58 CO 0.00 -0.75 0.90 1.41 0.16 0.00 0.00 175.35 177.07 1wfg s MET 59 N 3.62 3.51 0.00 4.03 -2.45 -1.26 -2.95 119.30 123.79 1wfg s MET 59 Ca 0.63 0.11 0.00 0.00 -1.25 0.00 0.00 55.69 55.18 1wfg s MET 59 Cb -0.27 -3.93 0.00 0.00 1.25 0.00 0.00 34.83 31.88 1wfg s MET 59 CO 0.22 -1.21 0.00 0.25 1.05 0.00 0.00 175.02 175.33 1wfg n THR 60 N 6.38 0.00 0.85 10.11 -2.24 -0.43 -4.94 114.28 124.01 1wfg n THR 60 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1wfg n THR 60 Cb 0.48 -1.54 0.20 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.77 0.10 0.00 -0.78 0.28 -1.26 -3.54 120.64 114.68 1wfg n GLU 61 Ca 0.00 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.14 1wfg n GLU 61 Cb 0.00 -1.55 0.21 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 -1.70 1.11 0.00 -1.84 2.88 -1.26 -4.92 113.62 107.90 1wfg n SER 62 Ca 0.05 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 1wfg n SER 62 Cb 0.37 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 1.41 0.73 3.94 0.46 0.00 -1.23 -5.05 105.19 105.45 1wfg n GLY 63 Ca 0.09 0.00 -0.24 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 -0.41 3.49 -0.02 1.61 0.52 -1.26 -4.83 118.95 118.05 1wfg s ARG 64 Ca 0.00 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 1wfg s ARG 64 Cb 0.00 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 1wfg s ARG 64 CO 0.00 0.28 -0.07 -0.51 0.02 0.00 0.00 175.30 175.02 1wfg s LEU 65 N -3.95 3.17 -0.02 2.53 1.43 -1.26 -1.31 118.68 119.28 1wfg s LEU 65 Ca 0.38 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 1wfg s LEU 65 Cb -0.10 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.42 1wfg s LEU 65 CO 0.32 0.30 0.72 0.00 0.23 0.00 0.00 176.35 177.93 1wfg s ALA 67 N -1.77 3.60 0.07 0.00 0.00 -1.26 -3.60 121.76 118.80 1wfg s ALA 67 Ca -0.06 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.70 1wfg s ALA 67 Cb -0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1wfg s ALA 67 CO 0.03 0.23 -0.21 -0.06 0.00 0.00 0.00 175.76 175.76 1wfg s PHE 68 N -0.14 1.78 0.16 0.00 0.08 -0.81 -1.48 117.98 117.57 1wfg s PHE 68 Ca 0.23 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1wfg s PHE 68 Cb -0.15 -1.02 -0.08 0.00 -0.57 0.00 0.00 43.02 41.20 1wfg s PHE 68 CO 0.10 0.14 1.33 0.42 -0.10 0.00 0.00 175.22 177.11 1wfg s ILE 69 N -0.97 3.31 -0.22 0.64 1.01 -0.15 -2.22 121.20 122.59 1wfg s ILE 69 Ca 0.07 1.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.64 1wfg s ILE 69 Cb -0.09 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 1wfg s ILE 69 CO 0.03 0.12 -0.27 0.35 0.00 0.00 0.00 174.94 175.17 1wfg n THR 70 N 3.16 1.24 -3.78 2.92 -2.24 -0.18 -2.05 114.28 113.34 1wfg n THR 70 Ca 0.08 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1wfg n THR 70 Cb 0.43 -1.71 -0.08 0.00 -2.10 0.00 0.00 70.33 66.87 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 -2.41 0.73 -0.24 -0.78 2.20 -1.23 -4.67 119.74 113.33 1wfg s LYS 71 Ca -0.31 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 54.83 1wfg s LYS 71 Cb 0.11 0.31 0.07 0.00 -1.51 0.00 0.00 37.83 36.82 1wfg s LYS 71 CO 0.41 -0.22 0.02 0.08 -0.36 0.00 0.00 175.35 175.28 1wfg s VAL 72 N -2.21 1.01 -0.77 4.02 1.01 -1.26 -0.14 120.40 122.06 1wfg s VAL 72 Ca -0.08 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1wfg s VAL 72 Cb -0.02 -1.48 -0.16 0.00 0.00 0.00 0.00 36.38 34.71 1wfg s VAL 72 CO -0.01 -0.28 2.40 1.17 0.00 0.00 0.00 175.10 178.37 1wfg n LYS 73 N 4.85 0.54 -1.53 2.72 3.00 -0.78 -4.79 118.16 122.17 1wfg n LYS 73 Ca -0.08 -0.43 -0.44 0.00 -0.00 0.00 0.00 58.31 57.36 1wfg n LYS 73 Cb 0.45 -3.00 -0.05 0.00 0.00 0.00 0.00 35.03 32.42 1wfg n LYS 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1wfg n LYS 74 N 8.28 1.30 0.00 1.64 0.00 -1.26 -0.87 118.16 127.25 1wfg n LYS 74 Ca 0.50 0.28 0.00 0.00 0.00 0.00 0.00 58.31 59.09 1wfg n LYS 74 Cb 0.38 -2.91 0.00 0.00 0.00 0.00 0.00 35.03 32.50 1wfg n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfg n GLY 75 N 6.15 1.76 2.48 3.14 0.00 -1.26 -5.07 105.19 112.38 1wfg n GLY 75 Ca 0.38 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 1wfg n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfg n SER 76 N 0.00 2.67 0.03 1.61 2.88 -0.05 -4.90 113.62 115.86 1wfg n SER 76 Ca 0.00 -2.41 -0.02 0.00 -1.33 0.00 0.00 58.87 55.11 1wfg n SER 76 Cb 0.00 0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1wfg n SER 76 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wfg h LEU 77 N 0.00 -0.15 -5.21 2.46 3.38 -1.86 -0.59 115.31 113.34 1wfg h LEU 77 Ca -0.27 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 1wfg h LEU 77 Cb 0.86 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1wfg h LEU 77 CO 0.43 -0.07 1.84 0.00 0.09 0.00 0.00 178.44 180.73 1wfg n ALA 78 N -2.32 4.27 0.12 1.53 0.00 -1.26 -1.04 120.51 121.81 1wfg n ALA 78 Ca -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1wfg n ALA 78 Cb 0.05 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1wfg n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wfg n ASP 79 N 3.85 -2.24 0.12 0.00 9.92 -1.04 -4.27 116.55 122.89 1wfg n ASP 79 Ca 0.36 0.51 0.06 0.00 -0.53 0.00 0.00 54.79 55.19 1wfg n ASP 79 Cb 0.22 2.29 0.02 0.00 -0.64 0.00 0.00 41.12 43.01 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1wfg h THR 80 N 0.00 0.40 0.00 -3.53 1.35 -1.01 -1.04 112.91 109.08 1wfg h THR 80 Ca 0.00 -1.64 -0.26 0.00 -0.55 0.00 0.00 66.41 63.96 1wfg h THR 80 Cb 0.00 2.03 -0.05 0.00 -1.73 0.00 0.00 68.15 68.40 1wfg h THR 80 CO 0.00 0.23 -2.00 0.52 -0.25 0.00 0.00 175.52 174.02 1wfg n VAL 81 N -2.99 1.01 -0.04 6.82 0.31 -0.25 -4.68 118.33 118.50 1wfg n VAL 81 Ca -0.01 -0.40 -0.18 0.00 -0.01 0.00 0.00 64.34 63.74 1wfg n VAL 81 Cb 0.68 -1.09 -0.13 0.00 -0.91 0.00 0.00 33.84 32.38 1wfg n VAL 81 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wfg h GLY 82 N 1.45 0.12 -0.07 2.92 0.00 -1.25 -3.44 103.07 102.80 1wfg h GLY 82 Ca -0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 1wfg h GLY 82 CO -0.06 0.27 -0.03 1.42 0.00 0.00 0.00 176.54 178.15 1wfg n HIS 83 N -4.36 0.00 -0.69 5.60 -0.00 -0.39 -4.82 115.22 110.56 1wfg n HIS 83 Ca -0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.25 1wfg n HIS 83 Cb 0.66 -0.60 0.26 0.00 -0.00 0.00 0.00 29.99 30.31 1wfg n HIS 83 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wfg s LEU 84 N -0.33 -0.05 0.07 2.41 1.43 -1.26 -4.95 118.68 115.99 1wfg s LEU 84 Ca 0.00 0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 1wfg s LEU 84 Cb 0.00 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.72 1wfg s LEU 84 CO 0.00 -4.65 0.42 -0.13 0.23 0.00 0.00 176.35 172.22 1wfg s ARG 85 N -5.08 0.98 -0.47 1.70 0.52 -1.26 -4.81 118.95 110.52 1wfg s ARG 85 Ca 0.69 -0.45 -0.28 0.00 -0.52 0.00 0.00 55.73 55.16 1wfg s ARG 85 Cb -0.14 0.44 0.01 0.00 0.52 0.00 0.00 34.95 35.77 1wfg s ARG 85 CO 0.58 -0.36 1.45 -1.25 0.02 0.00 0.00 175.30 175.74 1wfg s PRO 86 N -2.89 3.42 0.00 3.54 0.04 -1.26 -3.00 135.00 134.85 1wfg s PRO 86 Ca -0.03 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1wfg s PRO 86 Cb 0.00 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1wfg s PRO 86 CO -0.05 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1wfg n GLY 87 N 5.19 0.62 3.86 0.56 0.00 -0.87 -4.93 105.19 109.61 1wfg n GLY 87 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 5.17 -0.27 1.61 1.01 -1.16 -4.80 116.67 118.23 1wfg s ASP 88 Ca 0.00 1.20 -0.01 0.00 0.71 0.00 0.00 52.55 54.45 1wfg s ASP 88 Cb 0.00 -1.98 0.04 0.00 1.01 0.00 0.00 42.92 41.98 1wfg s ASP 88 CO 0.00 -1.53 -0.04 -0.70 0.21 0.00 0.00 175.17 173.12 1wfg s GLU 89 N -5.29 2.61 -0.74 8.23 2.12 -1.26 -0.98 118.70 123.39 1wfg s GLU 89 Ca 0.59 -1.13 -0.27 0.00 0.36 0.00 0.00 54.97 54.52 1wfg s GLU 89 Cb -0.12 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.22 1wfg s GLU 89 CO 0.53 -0.51 1.43 0.08 -0.54 0.00 0.00 175.26 176.24 1wfg s VAL 90 N 1.28 3.65 0.03 3.70 1.01 -0.55 -2.59 120.40 126.93 1wfg s VAL 90 Ca -0.03 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1wfg s VAL 90 Cb -0.18 -4.71 -0.17 0.00 0.00 0.00 0.00 36.38 31.32 1wfg s VAL 90 CO -0.03 -1.65 1.30 -0.07 0.00 0.00 0.00 175.10 174.65 1wfg h LEU 91 N 13.82 -0.87 -9.60 3.92 -0.00 0.38 -3.38 115.31 119.57 1wfg h LEU 91 Ca -0.23 0.02 -0.62 0.00 -0.00 0.00 0.00 57.88 57.05 1wfg h LEU 91 Cb 1.07 0.23 -0.13 0.00 -0.00 0.00 0.00 40.66 41.82 1wfg h LEU 91 CO 1.28 -0.52 -0.61 -1.61 -0.00 0.00 0.00 178.44 176.97 1wfg s GLU 92 N -5.18 1.92 -0.36 1.13 2.02 -0.27 -0.09 118.70 117.88 1wfg s GLU 92 Ca -0.16 -2.08 0.03 0.00 0.02 0.00 0.00 54.97 52.79 1wfg s GLU 92 Cb 0.02 -1.59 0.16 0.00 0.10 0.00 0.00 34.13 32.82 1wfg s GLU 92 CO 0.50 -0.04 0.42 -0.46 0.02 0.00 0.00 175.26 175.70 1wfg s TRP 93 N -2.74 -0.68 -0.08 1.61 -0.11 -0.05 -1.81 118.94 115.08 1wfg s TRP 93 Ca 0.35 -0.38 0.00 0.00 1.22 0.00 0.00 56.10 57.29 1wfg s TRP 93 Cb 0.09 -0.25 0.00 0.00 -1.50 0.00 0.00 33.47 31.82 1wfg s TRP 93 CO 0.18 -1.00 0.00 -1.71 -4.62 0.00 0.00 176.95 169.79 1wfg n ASN 94 N 4.57 -3.17 0.00 5.86 2.85 0.56 -2.70 115.26 123.22 1wfg n ASN 94 Ca 0.08 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1wfg n ASN 94 Cb 0.48 -0.74 0.00 0.00 1.24 0.00 0.00 39.78 40.76 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wfg n GLY 95 N -2.80 0.39 3.62 8.20 0.00 -1.25 -4.86 105.19 108.48 1wfg n GLY 95 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.79 3.99 0.07 1.61 1.81 -1.10 -5.01 118.95 119.53 1wfg s ARG 96 Ca 0.00 0.63 -0.31 0.00 -1.72 0.00 0.00 55.73 54.33 1wfg s ARG 96 Cb 0.00 -3.72 -0.07 0.00 -0.45 0.00 0.00 34.95 30.71 1wfg s ARG 96 CO 0.00 -0.65 1.45 -1.17 -0.68 0.00 0.00 175.30 174.25 1wfg s LEU 97 N 2.94 4.35 0.05 2.53 2.96 -1.26 -0.87 118.68 129.37 1wfg s LEU 97 Ca 0.33 2.29 0.22 0.00 -0.22 0.00 0.00 54.13 56.75 1wfg s LEU 97 Cb -0.14 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1wfg s LEU 97 CO 0.12 -0.73 0.90 0.18 -1.32 0.00 0.00 176.35 175.50 1wfg n LEU 98 N 4.77 0.55 -4.64 -0.68 4.77 0.87 -4.64 117.00 118.00 1wfg n LEU 98 Ca 0.13 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 1wfg n LEU 98 Cb 0.42 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1wfg n LEU 98 CO 0.59 0.03 1.54 -1.10 -1.33 0.00 0.00 177.39 177.12 1wfg s GLN 99 N -3.27 3.79 0.00 3.23 -0.21 -1.24 -1.11 119.66 120.86 1wfg s GLN 99 Ca 0.01 2.07 0.00 0.00 0.02 0.00 0.00 55.36 57.46 1wfg s GLN 99 Cb 0.14 -4.14 0.00 0.00 1.00 0.00 0.00 33.01 30.01 1wfg s GLN 99 CO 0.83 -1.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 1wfg n GLY 100 N 4.80 3.13 3.77 3.09 0.00 0.48 -4.95 105.19 115.51 1wfg n GLY 100 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg s ALA 101 N -2.28 3.27 0.76 4.61 0.00 -0.26 -4.70 121.76 123.15 1wfg s ALA 101 Ca 0.00 1.20 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1wfg s ALA 101 Cb 0.00 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.71 1wfg s ALA 101 CO 0.00 -0.77 1.11 0.95 0.00 0.00 0.00 175.76 177.05 1wfg s THR 102 N -1.27 2.40 0.26 0.00 -4.23 -1.26 -3.55 115.64 107.99 1wfg s THR 102 Ca 0.56 0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.03 1wfg s THR 102 Cb -0.37 -3.10 0.32 0.00 1.34 0.00 0.00 72.50 70.69 1wfg s THR 102 CO 0.48 -0.13 1.61 0.15 -0.54 0.00 0.00 174.62 176.19 1wfg h PHE 103 N -0.84 -0.12 0.63 3.99 3.04 -1.83 -0.06 116.94 121.76 1wfg h PHE 103 Ca -0.45 0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.53 1wfg h PHE 103 Cb 1.31 0.18 0.01 0.00 2.56 0.00 0.00 35.95 40.01 1wfg h PHE 103 CO 0.36 -0.30 -0.30 0.93 -2.02 0.00 0.00 178.31 176.97 1wfg h GLU 104 N 0.07 -0.81 -0.94 1.11 5.08 -1.92 -2.03 114.58 115.14 1wfg h GLU 104 Ca 0.45 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 59.03 1wfg h GLU 104 Cb 0.81 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 30.08 1wfg h GLU 104 CO -0.76 -0.50 -0.30 0.39 -1.00 0.00 0.00 179.01 176.84 1wfg n GLU 105 N -5.37 -0.15 0.08 2.33 1.02 -0.48 0.20 120.64 118.26 1wfg n GLU 105 Ca -0.12 1.46 -0.12 0.00 -0.02 0.00 0.00 57.16 58.36 1wfg n GLU 105 Cb 0.36 -2.17 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 1wfg n GLU 105 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wfg h VAL 106 N 0.00 0.71 -0.33 2.62 2.07 -1.02 -1.73 116.25 118.58 1wfg h VAL 106 Ca 0.39 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.93 1wfg h VAL 106 Cb 0.62 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1wfg h VAL 106 CO -0.95 0.00 0.18 0.22 0.02 0.00 0.00 177.57 177.04 1wfg h TYR 107 N -0.23 0.33 -0.94 1.57 5.03 0.13 -1.76 116.97 121.10 1wfg h TYR 107 Ca 0.02 0.01 0.22 0.00 2.58 0.00 0.00 58.73 61.56 1wfg h TYR 107 Cb 0.26 -0.10 -0.12 0.00 1.55 0.00 0.00 36.73 38.32 1wfg h TYR 107 CO -0.15 0.18 0.49 -0.91 -1.32 0.00 0.00 178.16 176.45 1wfg h ASN 108 N 0.36 0.51 0.00 -2.11 2.35 0.27 1.06 115.58 118.03 1wfg h ASN 108 Ca 0.14 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1wfg h ASN 108 Cb 0.03 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1wfg h ASN 108 CO -0.08 0.08 0.00 -0.38 -1.65 0.00 0.00 177.43 175.40 1wfg n ILE 109 N -4.95 0.00 -0.32 2.81 5.41 -0.68 0.19 119.36 121.82 1wfg n ILE 109 Ca 0.23 1.42 0.16 0.00 1.00 0.00 0.00 62.75 65.57 1wfg n ILE 109 Cb 0.65 -2.40 0.36 0.00 -0.71 0.00 0.00 39.64 37.55 1wfg n ILE 109 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1wfg h ILE 110 N 0.00 0.45 -0.27 1.39 2.04 -1.08 1.69 117.51 121.73 1wfg h ILE 110 Ca 0.00 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1wfg h ILE 110 Cb 0.00 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1wfg h ILE 110 CO 0.00 0.08 -0.12 0.25 0.00 0.00 0.00 178.15 178.36 1wfg h LEU 111 N 0.43 0.43 -0.30 1.44 7.12 0.14 -1.68 115.31 122.89 1wfg h LEU 111 Ca 0.62 -0.11 -0.08 0.00 0.13 0.00 0.00 57.88 58.44 1wfg h LEU 111 Cb 1.22 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1wfg h LEU 111 CO -0.53 0.59 -0.40 -0.33 -0.13 0.00 0.00 178.44 177.63 1wfg h GLU 112 N 0.42 0.00 -0.76 1.25 4.39 1.32 -3.01 114.58 118.18 1wfg h GLU 112 Ca 0.08 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 1wfg h GLU 112 Cb 0.46 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 1wfg h GLU 112 CO 0.03 0.40 0.21 0.43 -1.16 0.00 0.00 179.01 178.92 1wfg n SER 113 N -3.28 4.65 0.07 1.42 7.64 0.25 -4.38 113.62 120.00 1wfg n SER 113 Ca 0.02 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.74 1wfg n SER 113 Cb 0.64 -0.72 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 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 2.58 -0.24 0.00 1.43 1.57 -1.26 -3.20 116.57 117.45 1wfg h LYS 114 Ca 0.21 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1wfg h LYS 114 Cb 2.12 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.49 1wfg h LYS 114 CO 0.64 0.18 0.00 -1.00 -0.57 0.00 0.00 179.45 178.69 1wfg h PRO 115 N -0.82 0.00 -6.57 3.15 0.13 -1.82 -3.46 132.00 122.60 1wfg h PRO 115 Ca -0.02 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.51 1wfg h PRO 115 Cb 0.52 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.78 1wfg h PRO 115 CO 0.04 0.00 0.11 0.39 -0.23 0.00 0.00 178.00 178.31 1wfg n GLU 116 N -2.64 1.29 0.08 0.86 -0.58 -1.21 -4.89 120.64 113.55 1wfg n GLU 116 Ca 0.03 0.46 -0.08 0.00 -0.42 0.00 0.00 57.16 57.15 1wfg n GLU 116 Cb 0.37 -1.94 0.02 0.00 -0.57 0.00 0.00 31.44 29.31 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 1.61 0.24 -4.82 3.49 0.13 -1.88 -3.46 132.00 127.30 1wfg h PRO 117 Ca -0.43 -0.23 -0.38 0.00 -0.87 0.00 0.00 66.00 64.09 1wfg h PRO 117 Cb 1.34 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 1wfg h PRO 117 CO 0.57 0.93 -0.57 1.14 -0.23 0.00 0.00 178.00 179.85 1wfg s GLN 118 N -3.36 1.51 -0.21 0.86 -2.07 -1.26 0.36 119.66 115.50 1wfg s GLN 118 Ca -0.04 -1.85 -0.05 0.00 -1.82 0.00 0.00 55.36 51.60 1wfg s GLN 118 Cb 0.10 0.04 0.10 0.00 -1.09 0.00 0.00 33.01 32.16 1wfg s GLN 118 CO 0.83 -0.45 0.39 0.08 -1.32 0.00 0.00 175.29 174.82 1wfg s VAL 119 N -3.72 -0.62 -0.50 3.63 1.01 0.22 -4.95 120.40 115.46 1wfg s VAL 119 Ca 0.37 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1wfg s VAL 119 Cb 0.05 -0.69 0.09 0.00 0.00 0.00 0.00 36.38 35.83 1wfg s VAL 119 CO 0.17 0.02 0.47 -0.70 0.00 0.00 0.00 175.10 175.06 1wfg s GLU 120 N 2.58 3.00 0.51 2.72 2.12 -1.26 -0.01 118.70 128.36 1wfg s GLU 120 Ca 0.03 -1.38 -0.04 0.00 0.36 0.00 0.00 54.97 53.94 1wfg s GLU 120 Cb -0.13 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.07 1wfg s GLU 120 CO -0.13 -1.15 0.80 -0.51 -0.54 0.00 0.00 175.26 173.72 1wfg s LEU 121 N 1.82 3.52 -0.21 2.70 1.02 0.57 0.21 118.68 128.30 1wfg s LEU 121 Ca 0.06 0.75 -0.04 0.00 0.02 0.00 0.00 54.13 54.92 1wfg s LEU 121 Cb -0.25 -3.65 0.10 0.00 0.02 0.00 0.00 46.19 42.42 1wfg s LEU 121 CO 0.06 -0.74 0.30 -0.69 0.02 0.00 0.00 176.35 175.30 1wfg s VAL 122 N -2.78 -0.47 0.32 -1.59 1.01 -0.75 -1.60 120.40 114.53 1wfg s VAL 122 Ca 0.49 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1wfg s VAL 122 Cb -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1wfg s VAL 122 CO 0.44 -0.10 0.17 0.54 0.00 0.00 0.00 175.10 176.15 1wfg s VAL 123 N 2.45 3.41 -0.24 2.92 0.11 0.97 0.28 120.40 130.31 1wfg s VAL 123 Ca 0.08 -1.60 -0.03 0.00 -2.93 0.00 0.00 61.98 57.50 1wfg s VAL 123 Cb -0.15 -3.07 0.13 0.00 -1.53 0.00 0.00 36.38 31.76 1wfg s VAL 123 CO -0.13 -0.23 0.36 -0.55 -3.33 0.00 0.00 175.10 171.22 1wfg s SER 124 N -3.86 0.43 0.31 3.54 0.15 -1.07 -1.12 113.70 112.07 1wfg s SER 124 Ca 0.37 0.11 0.08 0.00 0.70 0.00 0.00 55.95 57.22 1wfg s SER 124 Cb -0.05 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.23 1wfg s SER 124 CO 0.24 -0.31 0.12 0.00 1.20 0.00 0.00 173.24 174.49 1wfg s ARG 125 N 2.51 2.45 -0.07 5.44 3.03 -0.01 -4.66 118.95 127.64 1wfg s ARG 125 Ca 0.12 -1.43 -0.14 0.00 2.03 0.00 0.00 55.73 56.31 1wfg s ARG 125 Cb -0.15 -2.25 -0.05 0.00 -1.03 0.00 0.00 34.95 31.47 1wfg s ARG 125 CO -0.17 0.21 0.35 0.45 -1.13 0.00 0.00 175.30 175.01 1wfg s SER 126 N -3.81 6.65 0.02 -2.89 0.15 -1.26 0.27 113.70 112.82 1wfg s SER 126 Ca 0.36 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1wfg s SER 126 Cb -0.04 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1wfg s SER 126 CO 0.23 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1wfg n GLY 127 N 2.34 1.71 3.72 9.45 0.00 0.50 -4.87 105.19 118.03 1wfg n GLY 127 Ca -0.14 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 1.51 4.48 0.40 1.61 0.04 -1.26 -4.74 135.00 137.04 1wfg s PRO 128 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wfg s PRO 128 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1wfg s PRO 128 CO 0.00 -0.17 0.00 0.45 0.04 0.00 0.00 177.00 177.32 1wfg n SER 129 N 3.61 -3.63 -4.61 6.66 2.88 -1.26 -4.81 113.62 112.46 1wfg n SER 129 Ca 0.07 0.82 -0.24 0.00 -1.33 0.00 0.00 58.87 58.20 1wfg n SER 129 Cb 0.47 3.44 -0.08 0.00 -0.75 0.00 0.00 64.21 67.29 1wfg n SER 129 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfg s SER 130 N -2.00 4.23 0.00 -3.46 0.15 -1.26 -5.23 113.70 106.13 1wfg s SER 130 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1wfg s SER 130 Cb 0.00 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1wfg s SER 130 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96