#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 -0.23 -0.30 1.61 1.04 -1.26 -5.14 113.70 109.42 1wfg s SER 2 Ca 0.00 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.87 1wfg s SER 2 Cb 0.00 0.62 0.20 0.00 0.10 0.00 0.00 66.02 66.94 1wfg s SER 2 CO 0.00 -1.15 0.61 -0.55 0.98 0.00 0.00 173.24 173.12 1wfg s SER 3 N -2.92 -1.59 0.00 7.02 0.15 -1.26 -5.05 113.70 110.05 1wfg s SER 3 Ca 0.13 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1wfg s SER 3 Cb -0.02 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.29 1wfg s SER 3 CO 0.02 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1wfg n GLY 4 N 5.32 -1.89 5.00 9.45 0.00 -1.26 -5.05 105.19 116.75 1wfg n GLY 4 Ca 0.06 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 0.00 -1.89 1.61 7.64 -1.26 -4.77 113.62 114.96 1wfg n SER 5 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1wfg n SER 5 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wfg n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfg n SER 6 N 2.11 -5.65 -0.11 6.43 2.88 -1.26 -5.03 113.62 112.99 1wfg n SER 6 Ca 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1wfg n SER 6 Cb 0.00 -3.60 0.00 0.00 -0.75 0.00 0.00 64.21 59.86 1wfg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 7 N 1.11 0.41 3.51 0.46 0.00 -1.26 -5.15 105.19 104.26 1wfg n GLY 7 Ca -0.05 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1wfg n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wfg s HIS 8 N 0.00 -0.61 0.00 1.61 5.65 -1.26 -4.99 115.29 115.68 1wfg s HIS 8 Ca 0.00 0.95 0.00 0.00 0.25 0.00 0.00 55.06 56.26 1wfg s HIS 8 Cb 0.00 0.44 0.00 0.00 -1.18 0.00 0.00 32.58 31.84 1wfg s HIS 8 CO 0.00 -0.63 0.00 0.45 -0.65 0.00 0.00 174.74 173.91 1wfg n SER 9 N 0.67 0.00 -2.96 9.88 2.88 -1.26 -4.77 113.62 118.06 1wfg n SER 9 Ca -0.18 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.32 1wfg n SER 9 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1wfg n SER 9 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1wfg n HIS 10 N 0.00 -2.51 -3.41 0.66 -0.00 -1.26 -4.93 115.22 103.77 1wfg n HIS 10 Ca 0.00 1.09 -0.32 0.00 -0.00 0.00 0.00 57.72 58.49 1wfg n HIS 10 Cb 0.00 -2.83 -0.06 0.00 -0.00 0.00 0.00 29.99 27.10 1wfg n HIS 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1wfg n SER 11 N 0.70 4.31 -3.65 0.26 3.41 -1.26 -4.92 113.62 112.48 1wfg n SER 11 Ca 0.01 -3.38 -0.27 0.00 -0.26 0.00 0.00 58.87 54.97 1wfg n SER 11 Cb 0.28 -0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfg n ASP 12 N 1.25 2.44 -3.66 4.04 9.92 -1.26 -5.02 116.55 124.26 1wfg n ASP 12 Ca 0.27 -3.10 -0.26 0.00 -0.53 0.00 0.00 54.79 51.17 1wfg n ASP 12 Cb 0.38 -0.69 -0.17 0.00 -0.64 0.00 0.00 41.12 40.00 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wfg s LYS 13 N -1.47 0.26 -0.24 -1.24 1.02 -1.26 -5.10 119.74 111.72 1wfg s LYS 13 Ca 0.31 -0.15 -0.37 0.00 0.02 0.00 0.00 55.97 55.78 1wfg s LYS 13 Cb 0.04 -1.80 -0.13 0.00 -0.52 0.00 0.00 37.83 35.41 1wfg s LYS 13 CO -0.13 -0.63 1.91 -2.39 -0.92 0.00 0.00 175.35 173.20 1wfg n HIS 14 N 5.20 2.03 0.10 3.18 1.44 -1.26 -4.82 115.22 121.09 1wfg n HIS 14 Ca -0.07 0.28 -0.05 0.00 -2.01 0.00 0.00 57.72 55.86 1wfg n HIS 14 Cb 0.49 -2.55 0.05 0.00 0.12 0.00 0.00 29.99 28.10 1wfg n HIS 14 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1wfg h PRO 15 N 9.31 0.08 -6.23 -1.40 0.13 -1.93 -3.44 132.00 128.52 1wfg h PRO 15 Ca -0.42 -0.08 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 1wfg h PRO 15 Cb 1.30 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1wfg h PRO 15 CO 0.97 0.81 -0.65 0.14 -0.23 0.00 0.00 178.00 179.04 1wfg s VAL 16 N -3.32 4.09 -0.18 1.56 -7.23 -1.26 -1.74 120.40 112.32 1wfg s VAL 16 Ca -0.02 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 1wfg s VAL 16 Cb 0.11 -2.87 0.07 0.00 0.56 0.00 0.00 36.38 34.26 1wfg s VAL 16 CO 0.80 0.29 0.41 0.42 -0.31 0.00 0.00 175.10 176.70 1wfg s THR 17 N -1.16 -0.30 -0.32 5.32 -4.23 0.31 -4.97 115.64 110.28 1wfg s THR 17 Ca 0.22 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1wfg s THR 17 Cb -0.12 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.15 1wfg s THR 17 CO 0.13 0.06 0.05 0.26 -0.54 0.00 0.00 174.62 174.58 1wfg s TRP 18 N 1.94 3.28 0.05 3.99 0.52 -1.26 0.13 118.94 127.59 1wfg s TRP 18 Ca -0.06 -1.72 0.02 0.00 0.02 0.00 0.00 56.10 54.37 1wfg s TRP 18 Cb -0.10 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.95 1wfg s TRP 18 CO -0.13 -0.78 -0.08 -0.65 0.02 0.00 0.00 176.95 175.33 1wfg s GLN 19 N 1.31 0.56 0.64 4.98 -1.52 0.84 -4.99 119.66 121.49 1wfg s GLN 19 Ca -0.03 -0.79 -0.13 0.00 -1.95 0.00 0.00 55.36 52.46 1wfg s GLN 19 Cb -0.20 -0.34 -0.02 0.00 -0.22 0.00 0.00 33.01 32.23 1wfg s GLN 19 CO 0.00 0.06 1.05 -1.25 -0.25 0.00 0.00 175.29 174.91 1wfg s PRO 20 N -1.65 3.16 1.19 2.91 0.04 -1.26 0.14 135.00 139.53 1wfg s PRO 20 Ca -0.09 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 1wfg s PRO 20 Cb -0.10 -2.02 0.29 0.00 0.04 0.00 0.00 34.50 32.72 1wfg s PRO 20 CO 0.00 -0.93 1.10 -1.13 0.04 0.00 0.00 177.00 176.09 1wfg n SER 21 N -2.58 -1.89 -0.26 6.66 3.41 -0.03 -4.63 113.62 114.31 1wfg n SER 21 Ca 0.08 -1.19 0.04 0.00 -0.26 0.00 0.00 58.87 57.54 1wfg n SER 21 Cb 0.53 -0.99 0.17 0.00 -0.26 0.00 0.00 64.21 63.67 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 0.51 0.05 4.33 3.11 -1.97 -3.03 116.57 119.57 1wfg h LYS 22 Ca -0.41 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.40 1wfg h LYS 22 Cb 1.23 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1wfg h LYS 22 CO 0.27 0.33 -0.02 0.22 -2.81 0.00 0.00 179.45 177.44 1wfg h ASP 23 N 0.52 -0.06 0.00 4.20 1.82 -1.92 -3.49 116.42 117.49 1wfg h ASP 23 Ca 0.39 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 1wfg h ASP 23 Cb 0.53 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1wfg h ASP 23 CO -0.35 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 177.88 1wfg n GLY 24 N 0.59 1.36 0.28 -0.78 0.00 -1.15 -4.96 105.19 100.54 1wfg n GLY 24 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1wfg n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfg h ASP 25 N 0.36 0.00 -3.21 1.61 5.19 -1.94 -3.43 116.42 115.00 1wfg h ASP 25 Ca 0.00 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.77 1wfg h ASP 25 Cb 0.00 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.38 1wfg h ASP 25 CO 0.00 0.08 -0.70 -0.13 -3.12 0.00 0.00 179.24 175.38 1wfg s ARG 26 N -4.05 2.28 -0.26 3.56 1.81 -1.26 0.14 118.95 121.17 1wfg s ARG 26 Ca -0.02 -1.05 -0.01 0.00 -1.72 0.00 0.00 55.73 52.93 1wfg s ARG 26 Cb 0.12 -2.34 0.04 0.00 -0.45 0.00 0.00 34.95 32.32 1wfg s ARG 26 CO 0.55 0.48 -0.06 -1.17 -0.68 0.00 0.00 175.30 174.42 1wfg s LEU 27 N -2.57 3.37 -0.27 2.53 1.98 0.37 -0.85 118.68 123.24 1wfg s LEU 27 Ca 0.25 -1.07 -0.15 0.00 -2.89 0.00 0.00 54.13 50.26 1wfg s LEU 27 Cb -0.10 -1.64 -0.03 0.00 0.66 0.00 0.00 46.19 45.07 1wfg s LEU 27 CO 0.16 -0.17 0.40 -0.63 -1.89 0.00 0.00 176.35 174.23 1wfg s ILE 28 N 1.26 5.15 -0.12 6.68 -1.09 0.36 -0.37 121.20 133.07 1wfg s ILE 28 Ca -0.03 0.60 -0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1wfg s ILE 28 Cb -0.18 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 1wfg s ILE 28 CO -0.04 0.13 -0.12 -0.83 -1.23 0.00 0.00 174.94 172.85 1wfg s GLY 29 N 1.63 1.57 -0.25 6.18 0.00 0.49 -0.11 107.32 116.82 1wfg s GLY 29 Ca 0.16 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.00 1wfg s GLY 29 CO 0.10 -0.25 -0.10 0.50 0.00 0.00 0.00 173.10 173.35 1wfg s ARG 30 N 0.20 2.52 0.19 2.90 0.52 0.35 0.20 118.95 125.83 1wfg s ARG 30 Ca -0.07 -1.17 0.05 0.00 -0.52 0.00 0.00 55.73 54.02 1wfg s ARG 30 Cb -0.15 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1wfg s ARG 30 CO 0.05 -0.48 0.21 0.42 0.02 0.00 0.00 175.30 175.51 1wfg s ILE 31 N 1.20 4.73 -0.01 1.52 1.09 -0.53 0.11 121.20 129.32 1wfg s ILE 31 Ca -0.04 -1.07 -0.02 0.00 -1.10 0.00 0.00 60.65 58.42 1wfg s ILE 31 Cb -0.18 -3.47 0.00 0.00 -1.06 0.00 0.00 42.46 37.75 1wfg s ILE 31 CO -0.06 -0.19 0.05 -0.22 -0.10 0.00 0.00 174.94 174.42 1wfg s LEU 32 N -3.40 1.85 0.00 2.97 1.98 -0.71 0.81 118.68 122.17 1wfg s LEU 32 Ca 0.32 -0.03 0.03 0.00 -2.89 0.00 0.00 54.13 51.57 1wfg s LEU 32 Cb -0.10 0.22 -0.01 0.00 0.66 0.00 0.00 46.19 46.97 1wfg s LEU 32 CO 0.25 -0.10 -0.09 -0.76 -1.89 0.00 0.00 176.35 173.77 1wfg s LEU 33 N -0.37 2.05 0.02 -0.68 1.43 0.72 -4.60 118.68 117.26 1wfg s LEU 33 Ca -0.04 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1wfg s LEU 33 Cb -0.03 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 1wfg s LEU 33 CO 0.00 0.07 -0.24 0.21 0.23 0.00 0.00 176.35 176.62 1wfg s ASN 34 N -0.40 2.79 -0.07 2.29 2.47 -1.26 0.38 114.94 121.15 1wfg s ASN 34 Ca 0.02 -0.51 0.08 0.00 0.42 0.00 0.00 52.86 52.87 1wfg s ASN 34 Cb -0.04 -0.27 -0.11 0.00 -1.45 0.00 0.00 41.25 39.38 1wfg s ASN 34 CO -0.00 0.24 0.07 0.29 -3.72 0.00 0.00 177.10 173.98 1wfg n LYS 35 N 2.07 2.07 -1.58 0.43 5.02 0.28 -4.97 118.16 121.48 1wfg n LYS 35 Ca -0.16 -0.02 -0.55 0.00 -2.02 0.00 0.00 58.31 55.55 1wfg n LYS 35 Cb 0.52 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.20 1.10 -0.20 1.97 1.74 -1.23 -4.36 116.66 113.47 1wfg n ARG 36 Ca -0.11 0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 57.25 1wfg n ARG 36 Cb 0.65 -2.21 0.09 0.00 -1.02 0.00 0.00 32.46 29.97 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 7.12 0.00 -0.08 0.55 4.77 -0.08 -4.58 117.00 124.71 1wfg n LEU 37 Ca 0.34 -0.27 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1wfg n LEU 37 Cb 0.16 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1wfg n LEU 37 CO 0.80 -1.91 0.78 0.50 -1.33 0.00 0.00 177.39 176.22 1wfg h LYS 38 N 0.00 0.73 -0.42 3.23 1.63 -1.90 -2.88 116.57 116.96 1wfg h LYS 38 Ca -0.12 -0.25 0.08 0.00 -0.85 0.00 0.00 60.65 59.51 1wfg h LYS 38 Cb 0.41 -0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.90 1wfg h LYS 38 CO 0.07 0.84 -0.09 0.22 -3.45 0.00 0.00 179.45 177.04 1wfg h ASP 39 N 0.66 -0.36 0.00 4.20 3.58 -2.01 -3.45 116.42 119.04 1wfg h ASP 39 Ca 0.11 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1wfg h ASP 39 Cb 0.62 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1wfg h ASP 39 CO 0.04 -0.13 0.00 0.61 -2.88 0.00 0.00 179.24 176.88 1wfg n GLY 40 N -1.31 0.48 3.64 -0.78 0.00 -1.09 -5.15 105.19 100.98 1wfg n GLY 40 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1wfg n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 41 N -0.74 -0.27 0.17 1.61 0.01 -1.25 -4.90 113.70 108.33 1wfg s SER 41 Ca 0.00 0.48 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1wfg s SER 41 Cb 0.00 0.72 -0.08 0.00 0.21 0.00 0.00 66.02 66.88 1wfg s SER 41 CO 0.00 -0.08 0.65 0.54 0.41 0.00 0.00 173.24 174.76 1wfg s VAL 42 N 0.53 4.68 0.78 3.43 0.11 -1.26 -0.90 120.40 127.77 1wfg s VAL 42 Ca 0.00 1.15 -0.11 0.00 -2.93 0.00 0.00 61.98 60.09 1wfg s VAL 42 Cb -0.04 -3.84 0.06 0.00 -1.53 0.00 0.00 36.38 31.03 1wfg s VAL 42 CO -0.12 0.29 1.09 -2.16 -3.33 0.00 0.00 175.10 170.87 1wfg s PRO 43 N -1.79 2.20 0.25 1.54 0.04 -1.26 -4.91 135.00 131.06 1wfg s PRO 43 Ca 0.39 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 1wfg s PRO 43 Cb -0.17 -1.93 0.42 0.00 0.04 0.00 0.00 34.50 32.86 1wfg s PRO 43 CO 0.20 -1.55 1.36 0.54 0.04 0.00 0.00 177.00 177.59 1wfg n ARG 44 N -3.39 -0.08 -3.68 4.56 1.74 -1.26 -4.08 116.66 110.48 1wfg n ARG 44 Ca 0.07 1.35 -0.17 0.00 -0.77 0.00 0.00 57.85 58.33 1wfg n ARG 44 Cb 0.56 -2.03 -0.16 0.00 -1.02 0.00 0.00 32.46 29.81 1wfg n ARG 44 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1wfg s ASP 45 N -5.21 0.76 0.00 0.55 1.47 -1.26 -4.82 116.67 108.16 1wfg s ASP 45 Ca -0.13 0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.86 1wfg s ASP 45 Cb 0.24 0.15 0.00 0.00 -0.34 0.00 0.00 42.92 42.97 1wfg s ASP 45 CO 0.68 -0.23 0.00 -0.24 0.68 0.00 0.00 175.17 176.05 1wfg n SER 46 N 5.19 0.00 -3.23 2.11 2.88 -1.26 -5.00 113.62 114.32 1wfg n SER 46 Ca -0.07 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.23 1wfg n SER 46 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 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 2.90 3.44 0.17 0.46 0.00 -1.26 -4.95 105.19 105.94 1wfg n GLY 47 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 3.87 -0.08 -0.00 4.61 0.00 -1.92 0.19 119.26 125.93 1wfg h ALA 48 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wfg h ALA 48 Cb 0.83 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wfg h ALA 48 CO 0.55 -0.59 -0.00 -1.33 0.00 0.00 0.00 179.25 177.88 1wfg n MET 49 N -5.26 1.10 0.00 0.00 2.81 -1.26 -4.79 117.12 109.72 1wfg n MET 49 Ca -0.04 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1wfg n MET 49 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 -0.77 0.00 0.00 4.03 7.99 0.05 -2.85 117.00 125.45 1wfg n LEU 50 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 1wfg n LEU 50 Cb 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1wfg n LEU 50 CO 0.18 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.67 1wfg n GLY 51 N 0.00 0.17 3.97 -0.72 0.00 -1.26 -3.20 105.19 104.14 1wfg n GLY 51 Ca 0.00 0.00 -0.21 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 3.79 -0.17 0.99 0.05 -1.13 -2.70 118.68 119.50 1wfg s LEU 52 Ca 0.00 0.10 0.01 0.00 0.05 0.00 0.00 54.13 54.29 1wfg s LEU 52 Cb 0.00 -3.00 0.02 0.00 -2.05 0.00 0.00 46.19 41.16 1wfg s LEU 52 CO 0.00 -0.58 -0.20 -0.75 -0.55 0.00 0.00 176.35 174.27 1wfg s LYS 53 N -4.40 3.03 0.08 1.48 2.20 0.21 -4.93 119.74 117.41 1wfg s LYS 53 Ca 0.47 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1wfg s LYS 53 Cb -0.10 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 1wfg s LYS 53 CO 0.35 -0.15 0.03 0.08 -0.36 0.00 0.00 175.35 175.30 1wfg s VAL 54 N 1.15 4.19 -0.17 4.02 1.01 -1.26 -1.16 120.40 128.18 1wfg s VAL 54 Ca 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1wfg s VAL 54 Cb -0.14 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.29 1wfg s VAL 54 CO -0.09 0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.46 1wfg s VAL 55 N -1.33 0.59 0.03 2.92 1.01 -1.06 -4.94 120.40 117.62 1wfg s VAL 55 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1wfg s VAL 55 Cb -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1wfg s VAL 55 CO 0.19 -0.08 0.04 0.61 0.00 0.00 0.00 175.10 175.86 1wfg n GLY 56 N 5.04 2.00 2.81 4.51 0.00 -1.26 -2.03 105.19 116.26 1wfg n GLY 56 Ca -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.75 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 4.63 0.45 3.66 -0.02 0.00 -1.24 -4.15 105.19 108.52 1wfg n GLY 57 Ca 0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.18 4.18 -0.36 1.61 2.20 -1.21 -4.65 119.74 119.33 1wfg s LYS 58 Ca 0.00 1.82 -0.26 0.00 -0.36 0.00 0.00 55.97 57.17 1wfg s LYS 58 Cb 0.00 -3.86 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1wfg s LYS 58 CO 0.00 -0.80 0.95 1.41 -0.36 0.00 0.00 175.35 176.54 1wfg s MET 59 N 3.77 3.87 0.00 4.03 -2.45 -1.26 -2.96 119.30 124.31 1wfg s MET 59 Ca 0.62 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 55.70 1wfg s MET 59 Cb -0.26 -3.80 0.00 0.00 1.25 0.00 0.00 34.83 32.03 1wfg s MET 59 CO 0.21 -0.95 0.00 0.25 1.05 0.00 0.00 175.02 175.58 1wfg n THR 60 N 5.98 0.00 0.68 10.11 -2.24 -0.08 -4.94 114.28 123.79 1wfg n THR 60 Ca 0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1wfg n THR 60 Cb 0.48 -1.88 0.35 0.00 -2.10 0.00 0.00 70.33 67.17 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 -0.70 0.22 -0.58 -0.78 0.28 -1.26 -3.09 120.64 114.74 1wfg n GLU 61 Ca 0.00 0.13 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 1wfg n GLU 61 Cb 0.00 -1.71 0.35 0.00 1.43 0.00 0.00 31.44 31.51 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 -2.07 4.58 -0.88 -1.84 2.88 -1.26 -4.89 113.62 110.13 1wfg n SER 62 Ca 0.05 -2.38 -0.11 0.00 -1.33 0.00 0.00 58.87 55.10 1wfg n SER 62 Cb 0.42 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 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 1.21 1.18 3.95 0.46 0.00 -1.18 -4.97 105.19 105.85 1wfg n GLY 63 Ca 0.25 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.84 3.41 -0.04 1.61 0.52 -1.26 -4.82 118.95 115.53 1wfg s ARG 64 Ca 0.00 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1wfg s ARG 64 Cb 0.00 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 1wfg s ARG 64 CO 0.00 0.18 -0.17 -0.51 0.02 0.00 0.00 175.30 174.83 1wfg s LEU 65 N -4.24 2.59 0.16 2.53 1.43 -1.26 -0.90 118.68 119.00 1wfg s LEU 65 Ca 0.39 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1wfg s LEU 65 Cb -0.09 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.67 1wfg s LEU 65 CO 0.34 0.34 0.52 0.00 0.23 0.00 0.00 176.35 177.78 1wfg s ALA 67 N -3.79 3.15 0.02 0.00 0.00 -1.25 -3.29 121.76 116.59 1wfg s ALA 67 Ca 0.03 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1wfg s ALA 67 Cb -0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1wfg s ALA 67 CO -0.11 -0.17 -0.24 -0.06 0.00 0.00 0.00 175.76 175.18 1wfg s PHE 68 N 1.03 2.16 0.35 0.00 0.40 -0.86 -0.90 117.98 120.16 1wfg s PHE 68 Ca 0.03 -0.40 -0.28 0.00 -0.60 0.00 0.00 56.93 55.67 1wfg s PHE 68 Cb -0.14 -1.33 -0.11 0.00 0.51 0.00 0.00 43.02 41.95 1wfg s PHE 68 CO 0.02 0.05 1.43 0.42 0.70 0.00 0.00 175.22 177.85 1wfg s ILE 69 N -0.70 2.29 -0.11 0.64 1.01 -0.94 -2.55 121.20 120.84 1wfg s ILE 69 Ca 0.10 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 1wfg s ILE 69 Cb -0.09 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1wfg s ILE 69 CO 0.01 0.07 -0.12 0.35 0.00 0.00 0.00 174.94 175.24 1wfg n THR 70 N 0.73 0.59 -3.72 2.92 -2.24 -0.31 -2.46 114.28 109.80 1wfg n THR 70 Ca 0.01 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1wfg n THR 70 Cb 0.40 -1.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.20 0.59 -0.17 -0.78 2.20 -1.23 -4.66 119.74 113.50 1wfg s LYS 71 Ca -0.15 0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1wfg s LYS 71 Cb 0.05 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.70 1wfg s LYS 71 CO 0.21 -0.12 0.04 0.54 -0.36 0.00 0.00 175.35 175.66 1wfg s VAL 72 N -0.37 0.37 0.49 4.02 0.11 -1.26 0.66 120.40 124.43 1wfg s VAL 72 Ca -0.05 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.40 1wfg s VAL 72 Cb -0.03 -0.87 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 1wfg s VAL 72 CO 0.02 -0.16 1.03 1.17 -3.33 0.00 0.00 175.10 173.84 1wfg n LYS 73 N 5.11 1.26 -3.11 1.54 4.81 -1.10 -4.91 118.16 121.76 1wfg n LYS 73 Ca -0.08 0.46 -0.44 0.00 -0.87 0.00 0.00 58.31 57.38 1wfg n LYS 73 Cb 0.48 -2.15 -0.06 0.00 0.02 0.00 0.00 35.03 33.32 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1wfg s LYS 74 N -2.34 3.13 0.00 1.64 2.47 -1.26 -3.85 119.74 119.53 1wfg s LYS 74 Ca 0.68 -0.90 0.00 0.00 -1.56 0.00 0.00 55.97 54.19 1wfg s LYS 74 Cb -0.49 -4.12 0.00 0.00 -1.46 0.00 0.00 37.83 31.76 1wfg s LYS 74 CO 0.53 -1.31 0.00 0.41 0.16 0.00 0.00 175.35 175.14 1wfg n GLY 75 N 5.19 1.94 3.55 5.54 0.00 -1.26 -5.07 105.19 115.08 1wfg n GLY 75 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1wfg n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 76 N -2.00 3.23 0.00 1.61 1.04 -1.25 -4.85 113.70 111.48 1wfg s SER 76 Ca 0.00 -1.40 -0.00 0.00 0.48 0.00 0.00 55.95 55.02 1wfg s SER 76 Cb 0.00 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1wfg s SER 76 CO 0.00 -0.56 1.01 -0.07 0.98 0.00 0.00 173.24 174.60 1wfg h LEU 77 N 1.89 -0.03 -5.71 2.42 -0.00 -1.91 0.79 115.31 112.76 1wfg h LEU 77 Ca -0.42 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.11 1wfg h LEU 77 Cb 1.25 0.01 0.02 0.00 -0.00 0.00 0.00 40.66 41.94 1wfg h LEU 77 CO 0.75 -0.00 2.25 0.00 -0.00 0.00 0.00 178.44 181.43 1wfg n ALA 78 N -2.95 3.75 0.01 1.53 0.00 -1.26 -0.96 120.51 120.64 1wfg n ALA 78 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1wfg n ALA 78 Cb 0.00 -3.01 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 4.89 -0.22 0.14 0.00 -0.08 -0.34 -4.05 116.55 116.89 1wfg n ASP 79 Ca 0.37 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1wfg n ASP 79 Cb 0.15 0.65 0.19 0.00 2.34 0.00 0.00 41.12 44.44 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 1.31 0.00 5.18 1.35 0.76 -0.47 112.91 121.04 1wfg h THR 80 Ca 0.00 -2.06 -0.05 0.00 -0.55 0.00 0.00 66.41 63.75 1wfg h THR 80 Cb 0.00 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1wfg h THR 80 CO 0.00 0.57 -1.19 1.33 -0.25 0.00 0.00 175.52 175.98 1wfg n VAL 81 N -3.69 0.19 0.09 6.82 0.24 -0.50 -4.72 118.33 116.76 1wfg n VAL 81 Ca -0.01 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.34 62.05 1wfg n VAL 81 Cb 0.61 -0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 32.22 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 0.25 0.33 -4.59 7.63 0.00 -1.20 -3.44 103.07 102.06 1wfg h GLY 82 Ca -0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 47.33 46.12 1wfg h GLY 82 CO -0.01 0.73 -0.41 1.42 0.00 0.00 0.00 176.54 178.27 1wfg n HIS 83 N -3.52 -1.63 -0.40 5.60 -0.00 -0.18 -4.67 115.22 110.42 1wfg n HIS 83 Ca -0.12 0.22 -0.02 0.00 -0.00 0.00 0.00 57.72 57.80 1wfg n HIS 83 Cb 1.04 -2.83 0.02 0.00 -0.00 0.00 0.00 29.99 28.21 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 -3.23 0.00 -3.56 2.41 4.77 -1.26 -4.89 117.00 111.25 1wfg n LEU 84 Ca -0.08 -0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.64 1wfg n LEU 84 Cb 0.58 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1wfg n LEU 84 CO 0.32 -1.23 0.38 -0.13 -1.33 0.00 0.00 177.39 175.39 1wfg s ARG 85 N -3.19 1.00 -0.86 3.23 0.52 -1.26 -4.87 118.95 113.52 1wfg s ARG 85 Ca 0.06 0.20 -0.25 0.00 -0.52 0.00 0.00 55.73 55.22 1wfg s ARG 85 Cb -0.01 0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1wfg s ARG 85 CO 0.04 -0.31 1.65 -1.25 0.02 0.00 0.00 175.30 175.45 1wfg s PRO 86 N -1.19 3.03 0.00 3.54 0.04 -1.26 -2.86 135.00 136.30 1wfg s PRO 86 Ca -0.11 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1wfg s PRO 86 Cb -0.01 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1wfg s PRO 86 CO 0.09 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1wfg n GLY 87 N 6.41 0.26 3.21 0.56 0.00 -1.03 -4.86 105.19 109.73 1wfg n GLY 87 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1wfg n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 88 N 0.00 -4.08 -3.63 1.61 8.00 -1.14 -4.70 116.55 112.63 1wfg n ASP 88 Ca 0.00 -0.90 -0.29 0.00 0.71 0.00 0.00 54.79 54.31 1wfg n ASP 88 Cb 0.00 -1.00 -0.15 0.00 -0.02 0.00 0.00 41.12 39.95 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wfg s GLU 89 N -5.12 0.38 -0.32 -1.24 2.12 -1.26 -2.20 118.70 111.06 1wfg s GLU 89 Ca 0.68 -0.62 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 1wfg s GLU 89 Cb -0.12 -1.58 -0.00 0.00 0.26 0.00 0.00 34.13 32.69 1wfg s GLU 89 CO 0.56 -0.92 1.38 0.54 -0.54 0.00 0.00 175.26 176.28 1wfg s VAL 90 N 1.94 4.01 -0.11 3.70 0.11 -0.07 -2.68 120.40 127.30 1wfg s VAL 90 Ca 0.07 1.11 -0.09 0.00 -2.93 0.00 0.00 61.98 60.14 1wfg s VAL 90 Cb -0.16 -4.10 -0.08 0.00 -1.53 0.00 0.00 36.38 30.51 1wfg s VAL 90 CO -0.27 -0.52 0.25 -0.07 -3.33 0.00 0.00 175.10 171.16 1wfg h LEU 91 N 11.36 -0.01 -9.63 2.54 3.38 0.26 -3.34 115.31 119.88 1wfg h LEU 91 Ca -0.28 -0.31 -0.57 0.00 0.09 0.00 0.00 57.88 56.81 1wfg h LEU 91 Cb 1.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1wfg h LEU 91 CO 1.04 0.65 -0.61 -1.61 0.09 0.00 0.00 178.44 178.00 1wfg s GLU 92 N -1.79 2.17 -0.33 1.13 2.02 -1.19 0.19 118.70 120.91 1wfg s GLU 92 Ca -0.06 -1.64 -0.01 0.00 0.02 0.00 0.00 54.97 53.28 1wfg s GLU 92 Cb -0.01 -2.02 0.13 0.00 0.10 0.00 0.00 34.13 32.33 1wfg s GLU 92 CO 0.22 0.18 0.20 -0.46 0.02 0.00 0.00 175.26 175.42 1wfg s TRP 93 N -2.46 0.52 -0.13 1.61 -0.11 0.16 -2.61 118.94 115.92 1wfg s TRP 93 Ca 0.35 -1.35 0.00 0.00 1.22 0.00 0.00 56.10 56.32 1wfg s TRP 93 Cb -0.02 -0.87 0.00 0.00 -1.50 0.00 0.00 33.47 31.08 1wfg s TRP 93 CO 0.20 -0.84 0.00 -1.71 -4.62 0.00 0.00 176.95 169.98 1wfg n ASN 94 N 4.41 -3.87 0.00 5.86 2.85 0.57 -2.27 115.26 122.80 1wfg n ASN 94 Ca 0.07 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1wfg n ASN 94 Cb 0.39 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 39.93 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wfg n GLY 95 N -1.89 1.92 3.63 8.20 0.00 -1.25 -4.82 105.19 110.98 1wfg n GLY 95 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 4.01 0.16 1.61 1.81 -0.96 -5.00 118.95 120.43 1wfg s ARG 96 Ca 0.00 0.91 -0.31 0.00 -1.72 0.00 0.00 55.73 54.61 1wfg s ARG 96 Cb 0.00 -3.75 -0.08 0.00 -0.45 0.00 0.00 34.95 30.66 1wfg s ARG 96 CO 0.00 -0.89 1.36 -1.17 -0.68 0.00 0.00 175.30 173.92 1wfg s LEU 97 N 3.55 4.39 -0.04 2.53 2.96 -1.26 0.36 118.68 131.16 1wfg s LEU 97 Ca 0.42 2.39 0.21 0.00 -0.22 0.00 0.00 54.13 56.94 1wfg s LEU 97 Cb -0.12 -3.60 -0.31 0.00 0.50 0.00 0.00 46.19 42.66 1wfg s LEU 97 CO 0.16 -0.61 0.45 0.18 -1.32 0.00 0.00 176.35 175.21 1wfg n LEU 98 N 3.29 0.04 -4.59 -0.68 4.77 0.52 -4.67 117.00 115.69 1wfg n LEU 98 Ca 0.09 0.02 -0.45 0.00 -0.03 0.00 0.00 56.01 55.64 1wfg n LEU 98 Cb 0.42 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1wfg n LEU 98 CO 0.58 0.06 1.78 0.00 -1.33 0.00 0.00 177.39 178.48 1wfg n GLN 99 N -2.35 1.96 0.00 3.23 6.02 -1.22 -0.73 117.38 124.30 1wfg n GLN 99 Ca -0.08 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1wfg n GLN 99 Cb 0.65 -3.02 0.00 0.00 1.02 0.00 0.00 30.24 28.89 1wfg n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfg n GLY 100 N 5.60 2.96 3.53 1.08 0.00 0.46 -4.95 105.19 113.86 1wfg n GLY 100 Ca 0.30 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.73 -1.95 4.61 0.00 0.09 -4.59 120.51 117.95 1wfg n ALA 101 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 1wfg n ALA 101 Cb 0.00 -1.95 0.10 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.70 2.20 0.15 0.00 -4.23 -1.26 -3.70 115.64 107.09 1wfg s THR 102 Ca 0.71 -0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.72 1wfg s THR 102 Cb -0.41 -2.88 0.04 0.00 1.34 0.00 0.00 72.50 70.59 1wfg s THR 102 CO 0.52 0.00 1.68 0.15 -0.54 0.00 0.00 174.62 176.44 1wfg h PHE 103 N -0.77 -0.16 -0.24 3.99 3.57 -1.83 -0.50 116.94 121.00 1wfg h PHE 103 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1wfg h PHE 103 Cb 1.28 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1wfg h PHE 103 CO -0.13 -0.13 0.16 0.93 -2.23 0.00 0.00 178.31 176.90 1wfg h GLU 104 N -0.00 0.31 0.05 1.11 5.08 -1.94 -1.89 114.58 117.30 1wfg h GLU 104 Ca 0.15 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1wfg h GLU 104 Cb 0.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1wfg h GLU 104 CO -0.32 0.21 -0.23 0.93 -1.00 0.00 0.00 179.01 178.60 1wfg h GLU 105 N 0.32 -0.31 -0.84 2.33 5.08 -1.75 1.19 114.58 120.61 1wfg h GLU 105 Ca 0.09 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.63 1wfg h GLU 105 Cb -0.03 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.13 1wfg h GLU 105 CO -0.02 -0.21 -0.27 0.28 -1.00 0.00 0.00 179.01 177.79 1wfg h VAL 106 N -0.32 0.12 0.79 3.13 2.07 -1.07 0.31 116.25 121.29 1wfg h VAL 106 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1wfg h VAL 106 Cb 0.32 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1wfg h VAL 106 CO -0.13 0.00 -0.43 0.22 0.02 0.00 0.00 177.57 177.25 1wfg h TYR 107 N -0.03 -1.14 -0.90 1.57 5.03 -0.61 -2.45 116.97 118.44 1wfg h TYR 107 Ca 0.37 -0.02 0.20 0.00 2.58 0.00 0.00 58.73 61.86 1wfg h TYR 107 Cb 0.61 0.40 -0.17 0.00 1.55 0.00 0.00 36.73 39.12 1wfg h TYR 107 CO -0.70 -0.67 -0.14 -0.91 -1.32 0.00 0.00 178.16 174.41 1wfg h ASN 108 N -1.13 -0.70 -0.17 -2.11 2.35 0.29 0.24 115.58 114.34 1wfg h ASN 108 Ca -0.11 0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1wfg h ASN 108 Cb 0.89 0.52 -0.06 0.00 0.05 0.00 0.00 38.32 39.72 1wfg h ASN 108 CO 0.14 -0.30 -0.44 0.40 -1.65 0.00 0.00 177.43 175.59 1wfg h ILE 109 N 0.02 0.00 -0.96 2.81 2.04 -0.17 0.67 117.51 121.91 1wfg h ILE 109 Ca 0.47 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.54 1wfg h ILE 109 Cb 0.79 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1wfg h ILE 109 CO -0.90 0.00 0.62 0.40 0.00 0.00 0.00 178.15 178.28 1wfg h ILE 110 N -0.42 0.64 0.00 -0.67 2.04 -0.18 1.47 117.51 120.39 1wfg h ILE 110 Ca 0.03 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1wfg h ILE 110 Cb 0.52 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1wfg h ILE 110 CO -0.39 0.09 -0.28 0.25 0.00 0.00 0.00 178.15 177.82 1wfg h LEU 111 N 0.47 0.00 0.00 1.44 5.85 0.23 -1.24 115.31 122.06 1wfg h LEU 111 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 1wfg h LEU 111 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1wfg h LEU 111 CO -0.24 0.28 -0.08 -0.62 -0.34 0.00 0.00 178.44 177.44 1wfg n GLU 112 N -3.80 0.14 -0.42 1.25 1.02 0.49 -2.85 120.64 116.47 1wfg n GLU 112 Ca -0.01 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1wfg n GLU 112 Cb 0.38 -1.65 0.32 0.00 -0.02 0.00 0.00 31.44 30.47 1wfg n GLU 112 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wfg n SER 113 N -1.88 4.03 0.05 1.62 3.41 -0.48 -4.35 113.62 116.01 1wfg n SER 113 Ca 0.06 -2.11 -0.13 0.00 -0.26 0.00 0.00 58.87 56.43 1wfg n SER 113 Cb 0.39 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 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 4.13 -0.09 0.00 4.33 1.57 -1.41 -2.89 116.57 122.20 1wfg h LYS 114 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1wfg h LYS 114 Cb 1.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1wfg h LYS 114 CO 0.06 0.14 -0.20 -1.00 -0.57 0.00 0.00 179.45 177.88 1wfg h PRO 115 N -0.32 0.00 -6.72 3.15 0.13 -1.82 -3.45 132.00 122.96 1wfg h PRO 115 Ca -0.01 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.55 1wfg h PRO 115 Cb 0.28 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.51 1wfg h PRO 115 CO 0.02 0.20 0.54 0.39 -0.23 0.00 0.00 178.00 178.91 1wfg n GLU 116 N -3.24 2.13 0.05 0.86 1.02 -1.09 -4.90 120.64 115.47 1wfg n GLU 116 Ca 0.01 0.75 -0.13 0.00 -0.02 0.00 0.00 57.16 57.78 1wfg n GLU 116 Cb 0.50 -2.35 -0.02 0.00 -0.02 0.00 0.00 31.44 29.54 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 2.93 0.44 -4.97 3.49 0.13 -1.88 -3.46 132.00 128.69 1wfg h PRO 117 Ca -0.46 -0.43 -0.36 0.00 -0.87 0.00 0.00 66.00 63.89 1wfg h PRO 117 Cb 1.28 0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.38 1wfg h PRO 117 CO 0.65 1.08 -0.64 1.14 -0.23 0.00 0.00 178.00 180.00 1wfg s GLN 118 N -3.41 1.34 -0.08 0.86 -2.07 -1.26 0.10 119.66 115.15 1wfg s GLN 118 Ca -0.06 -1.70 -0.03 0.00 -1.82 0.00 0.00 55.36 51.75 1wfg s GLN 118 Cb 0.09 -0.44 0.04 0.00 -1.09 0.00 0.00 33.01 31.62 1wfg s GLN 118 CO 0.86 -0.18 0.12 0.08 -1.32 0.00 0.00 175.29 174.85 1wfg s VAL 119 N -3.58 -0.19 -0.41 3.63 1.01 0.16 -4.94 120.40 116.08 1wfg s VAL 119 Ca 0.32 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 1wfg s VAL 119 Cb 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1wfg s VAL 119 CO 0.10 0.11 0.28 -0.70 0.00 0.00 0.00 175.10 174.89 1wfg s GLU 120 N 2.23 2.93 0.48 2.72 2.12 -1.26 -0.20 118.70 127.72 1wfg s GLU 120 Ca 0.04 -1.06 -0.00 0.00 0.36 0.00 0.00 54.97 54.31 1wfg s GLU 120 Cb -0.12 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1wfg s GLU 120 CO -0.05 -0.76 0.71 -0.51 -0.54 0.00 0.00 175.26 174.11 1wfg s LEU 121 N 1.64 3.55 -0.22 2.70 1.02 0.24 0.21 118.68 127.82 1wfg s LEU 121 Ca 0.04 0.27 -0.03 0.00 0.02 0.00 0.00 54.13 54.43 1wfg s LEU 121 Cb -0.19 -3.14 0.11 0.00 0.02 0.00 0.00 46.19 42.98 1wfg s LEU 121 CO 0.09 -0.81 0.27 -0.69 0.02 0.00 0.00 176.35 175.24 1wfg s VAL 122 N -2.63 -0.42 0.15 -1.59 1.01 -1.07 -1.45 120.40 114.41 1wfg s VAL 122 Ca 0.50 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.42 1wfg s VAL 122 Cb -0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1wfg s VAL 122 CO 0.39 -0.19 0.08 0.68 0.00 0.00 0.00 175.10 176.05 1wfg s VAL 123 N 2.40 4.21 -0.14 2.92 -7.23 0.55 0.23 120.40 123.33 1wfg s VAL 123 Ca 0.09 -1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1wfg s VAL 123 Cb -0.16 -3.12 0.07 0.00 0.56 0.00 0.00 36.38 33.73 1wfg s VAL 123 CO -0.14 -0.07 0.17 -0.55 -0.31 0.00 0.00 175.10 174.20 1wfg s SER 124 N -2.92 1.29 0.23 4.85 0.15 -1.09 0.18 113.70 116.39 1wfg s SER 124 Ca 0.29 -0.05 0.11 0.00 0.70 0.00 0.00 55.95 57.00 1wfg s SER 124 Cb -0.10 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1wfg s SER 124 CO 0.21 -0.29 -0.17 0.00 1.20 0.00 0.00 173.24 174.19 1wfg s ARG 125 N 2.27 1.77 -0.07 5.44 3.03 0.50 -4.61 118.95 127.28 1wfg s ARG 125 Ca 0.04 -1.56 -0.30 0.00 2.03 0.00 0.00 55.73 55.94 1wfg s ARG 125 Cb -0.14 -1.91 -0.02 0.00 -1.03 0.00 0.00 34.95 31.85 1wfg s ARG 125 CO -0.09 0.37 1.07 -1.54 -1.13 0.00 0.00 175.30 173.99 1wfg s SER 126 N -3.15 7.20 0.84 -2.89 1.04 -1.26 0.14 113.70 115.62 1wfg s SER 126 Ca 0.26 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1wfg s SER 126 Cb -0.07 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wfg s SER 126 CO 0.14 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1wfg n GLY 127 N 3.15 -3.32 0.00 7.32 0.00 0.37 -4.82 105.19 107.89 1wfg n GLY 127 Ca 0.09 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.93 1wfg n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfg n PRO 128 N -1.55 0.75 -0.07 1.61 -0.04 -1.26 -3.70 135.00 130.74 1wfg n PRO 128 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1wfg n PRO 128 Cb 0.00 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 1wfg n PRO 128 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfg h SER 129 N 0.00 -0.66 -3.31 3.54 0.87 -1.88 -3.37 113.55 108.74 1wfg h SER 129 Ca 0.00 0.14 -0.58 0.00 -1.23 0.00 0.00 61.79 60.12 1wfg h SER 129 Cb 0.00 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 1wfg h SER 129 CO 0.00 -0.24 0.37 -0.44 -0.53 0.00 0.00 176.83 176.00 1wfg s SER 130 N -5.09 6.93 0.00 6.23 0.01 -1.24 -5.18 113.70 115.36 1wfg s SER 130 Ca -0.14 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1wfg s SER 130 Cb 0.13 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wfg s SER 130 CO 0.69 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.55