#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 -0.12 0.30 1.61 0.15 -1.26 -5.17 113.70 109.20 1wfg s SER 2 Ca 0.00 0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.90 1wfg s SER 2 Cb 0.00 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 1wfg s SER 2 CO 0.00 -0.03 0.45 -0.55 1.20 0.00 0.00 173.24 174.30 1wfg s SER 3 N 0.71 6.23 0.00 5.45 0.15 -1.26 -5.04 113.70 119.94 1wfg s SER 3 Ca -0.03 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wfg s SER 3 Cb -0.03 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1wfg s SER 3 CO -0.12 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1wfg n GLY 4 N -1.59 -1.85 3.12 9.45 0.00 -1.26 -5.12 105.19 107.94 1wfg n GLY 4 Ca -0.06 0.84 0.02 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.29 -0.05 1.61 0.15 -1.26 -5.14 113.70 107.71 1wfg s SER 5 Ca 0.00 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.18 1wfg s SER 5 Cb 0.00 1.68 0.02 0.00 -1.71 0.00 0.00 66.02 66.01 1wfg s SER 5 CO 0.00 -0.16 -0.04 -0.44 1.20 0.00 0.00 173.24 173.79 1wfg s SER 6 N 2.08 1.16 0.66 5.45 0.01 -1.26 -5.15 113.70 116.66 1wfg s SER 6 Ca 0.15 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wfg s SER 6 Cb -0.04 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1wfg s SER 6 CO -0.12 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1wfg n GLY 7 N 4.25 -3.24 3.13 3.44 0.00 -1.26 -5.06 105.19 106.45 1wfg n GLY 7 Ca -0.21 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 1wfg n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfg s HIS 8 N -0.66 1.10 0.15 1.61 0.00 -1.26 -5.05 115.29 111.17 1wfg s HIS 8 Ca 0.00 -0.37 0.00 0.00 -3.00 0.00 0.00 55.06 51.69 1wfg s HIS 8 Cb 0.00 -0.65 0.00 0.00 -4.00 0.00 0.00 32.58 27.93 1wfg s HIS 8 CO 0.00 0.02 0.00 0.45 -1.00 0.00 0.00 174.74 174.21 1wfg n SER 9 N 1.81 0.75 -4.81 7.38 2.88 -1.26 -5.08 113.62 115.29 1wfg n SER 9 Ca -0.19 0.23 -0.32 0.00 -1.33 0.00 0.00 58.87 57.26 1wfg n SER 9 Cb 0.55 -0.13 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 1wfg n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wfg s HIS 10 N -2.00 3.02 -0.42 0.66 0.09 -1.26 -5.02 115.29 110.36 1wfg s HIS 10 Ca 0.00 1.49 0.01 0.00 -0.00 0.00 0.00 55.06 56.56 1wfg s HIS 10 Cb 0.00 -2.98 0.23 0.00 -0.00 0.00 0.00 32.58 29.84 1wfg s HIS 10 CO 0.00 -1.12 1.00 0.43 -0.00 0.00 0.00 174.74 175.05 1wfg n SER 11 N -2.24 -2.25 -3.64 1.40 7.64 -1.26 -5.07 113.62 108.20 1wfg n SER 11 Ca 0.08 -2.29 -0.27 0.00 1.01 0.00 0.00 58.87 57.40 1wfg n SER 11 Cb 0.53 1.26 -0.10 0.00 -1.01 0.00 0.00 64.21 64.89 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 2.08 2.37 0.00 6.43 -0.08 -1.26 -5.02 116.55 121.07 1wfg n ASP 12 Ca 0.09 -3.08 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 1wfg n ASP 12 Cb 0.64 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1wfg n LYS 13 N 1.80 0.00 -1.68 -0.67 5.02 -1.26 -4.76 118.16 116.61 1wfg n LYS 13 Ca 0.24 0.00 -0.58 0.00 -2.02 0.00 0.00 58.31 55.95 1wfg n LYS 13 Cb 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.34 1wfg n LYS 13 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1wfg n HIS 14 N 0.00 1.80 0.10 2.13 1.44 -1.26 -4.83 115.22 114.60 1wfg n HIS 14 Ca 0.00 0.70 -0.05 0.00 -2.01 0.00 0.00 57.72 56.36 1wfg n HIS 14 Cb 0.00 -2.37 0.05 0.00 0.12 0.00 0.00 29.99 27.79 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 6.01 0.09 -5.92 -1.40 0.13 -1.91 -3.44 132.00 125.57 1wfg h PRO 15 Ca -0.47 -0.09 -0.67 0.00 -0.87 0.00 0.00 66.00 63.90 1wfg h PRO 15 Cb 1.34 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.37 1wfg h PRO 15 CO 0.91 0.82 -0.58 0.08 -0.23 0.00 0.00 178.00 178.99 1wfg s VAL 16 N -3.33 4.64 -0.19 1.56 1.01 -1.26 -2.98 120.40 119.85 1wfg s VAL 16 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1wfg s VAL 16 Cb 0.11 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1wfg s VAL 16 CO 0.80 0.55 0.47 0.42 0.00 0.00 0.00 175.10 177.33 1wfg s THR 17 N -0.98 -0.02 -0.25 3.92 -4.23 -1.03 -4.98 115.64 108.06 1wfg s THR 17 Ca 0.16 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1wfg s THR 17 Cb -0.12 -0.68 0.06 0.00 1.34 0.00 0.00 72.50 73.11 1wfg s THR 17 CO 0.05 0.03 -0.06 0.26 -0.54 0.00 0.00 174.62 174.36 1wfg s TRP 18 N 1.28 2.71 0.03 3.99 0.52 -1.26 0.12 118.94 126.33 1wfg s TRP 18 Ca -0.08 -2.00 -0.01 0.00 0.02 0.00 0.00 56.10 54.03 1wfg s TRP 18 Cb -0.07 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1wfg s TRP 18 CO -0.12 -0.82 -0.03 -0.65 0.02 0.00 0.00 176.95 175.35 1wfg s GLN 19 N 1.29 0.42 0.63 4.98 -1.52 0.25 -4.98 119.66 120.72 1wfg s GLN 19 Ca -0.05 -0.82 -0.14 0.00 -1.95 0.00 0.00 55.36 52.40 1wfg s GLN 19 Cb -0.19 0.15 -0.02 0.00 -0.22 0.00 0.00 33.01 32.72 1wfg s GLN 19 CO -0.07 -0.07 1.05 -1.25 -0.25 0.00 0.00 175.29 174.70 1wfg s PRO 20 N -2.32 3.22 0.39 2.91 0.04 -1.26 0.18 135.00 138.16 1wfg s PRO 20 Ca -0.08 1.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 1wfg s PRO 20 Cb -0.04 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.58 1wfg s PRO 20 CO -0.04 -0.88 0.36 -1.13 0.04 0.00 0.00 177.00 175.35 1wfg n SER 21 N -2.42 -1.20 -0.37 6.66 3.41 -0.99 -4.65 113.62 114.06 1wfg n SER 21 Ca 0.08 -0.77 0.02 0.00 -0.26 0.00 0.00 58.87 57.94 1wfg n SER 21 Cb 0.53 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.32 1wfg n SER 21 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfg h LYS 22 N 0.00 1.16 0.00 4.33 6.56 -1.97 -3.21 116.57 123.44 1wfg h LYS 22 Ca -0.13 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1wfg h LYS 22 Cb 0.40 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1wfg h LYS 22 CO 0.09 0.77 0.00 -0.25 -2.06 0.00 0.00 179.45 178.00 1wfg n ASP 23 N -4.49 0.00 0.00 0.86 8.00 -1.26 -5.01 116.55 114.65 1wfg n ASP 23 Ca 0.15 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1wfg n ASP 23 Cb 0.16 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1wfg n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfg n GLY 24 N 1.03 1.26 0.25 0.44 0.00 -1.22 -4.96 105.19 101.99 1wfg n GLY 24 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.79 0.00 -2.11 1.61 3.32 -1.95 -3.43 116.42 114.66 1wfg h ASP 25 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1wfg h ASP 25 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1wfg h ASP 25 CO 0.00 0.09 -0.47 -0.13 -1.72 0.00 0.00 179.24 177.02 1wfg s ARG 26 N -4.73 3.08 -0.26 3.56 1.81 -1.26 0.55 118.95 121.70 1wfg s ARG 26 Ca -0.04 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 1wfg s ARG 26 Cb 0.16 -2.68 0.07 0.00 -0.45 0.00 0.00 34.95 32.05 1wfg s ARG 26 CO 0.66 0.34 -0.00 -1.17 -0.68 0.00 0.00 175.30 174.44 1wfg s LEU 27 N -3.94 2.60 -0.15 2.53 1.98 0.50 -2.36 118.68 119.85 1wfg s LEU 27 Ca 0.35 -1.33 -0.25 0.00 -2.89 0.00 0.00 54.13 50.01 1wfg s LEU 27 Cb -0.08 -1.11 -0.02 0.00 0.66 0.00 0.00 46.19 45.65 1wfg s LEU 27 CO 0.27 -0.29 0.83 -0.63 -1.89 0.00 0.00 176.35 174.64 1wfg s ILE 28 N 1.43 4.89 -0.04 6.68 -1.09 0.49 0.21 121.20 133.76 1wfg s ILE 28 Ca -0.01 1.65 0.04 0.00 -2.23 0.00 0.00 60.65 60.10 1wfg s ILE 28 Cb -0.18 -4.14 -0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1wfg s ILE 28 CO -0.10 0.05 -0.16 -0.83 -1.23 0.00 0.00 174.94 172.68 1wfg s GLY 29 N 1.11 0.87 0.11 6.18 0.00 0.25 0.85 107.32 116.70 1wfg s GLY 29 Ca 0.39 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.55 1wfg s GLY 29 CO 0.14 -0.27 -0.07 -1.60 0.00 0.00 0.00 173.10 171.29 1wfg s ARG 30 N 0.13 2.22 -0.11 2.90 3.52 0.32 0.11 118.95 128.04 1wfg s ARG 30 Ca -0.05 -1.00 -0.04 0.00 -0.13 0.00 0.00 55.73 54.51 1wfg s ARG 30 Cb -0.12 -2.35 0.06 0.00 -1.56 0.00 0.00 34.95 30.98 1wfg s ARG 30 CO 0.02 0.51 0.16 0.42 -0.81 0.00 0.00 175.30 175.60 1wfg s ILE 31 N -1.28 -0.25 -0.09 4.11 1.09 -0.07 -2.47 121.20 122.24 1wfg s ILE 31 Ca 0.23 0.22 0.03 0.00 -1.10 0.00 0.00 60.65 60.03 1wfg s ILE 31 Cb -0.11 -0.38 -0.02 0.00 -1.06 0.00 0.00 42.46 40.89 1wfg s ILE 31 CO 0.15 0.04 -0.18 -0.22 -0.10 0.00 0.00 174.94 174.64 1wfg s LEU 32 N 2.28 2.49 0.06 2.97 1.98 -1.16 0.19 118.68 127.49 1wfg s LEU 32 Ca 0.04 -0.36 0.09 0.00 -2.89 0.00 0.00 54.13 51.00 1wfg s LEU 32 Cb -0.13 -1.51 -0.03 0.00 0.66 0.00 0.00 46.19 45.17 1wfg s LEU 32 CO -0.07 0.23 -0.23 -0.76 -1.89 0.00 0.00 176.35 173.63 1wfg s LEU 33 N -0.07 2.37 -0.35 -0.68 2.01 0.44 -4.74 118.68 117.66 1wfg s LEU 33 Ca -0.04 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.57 1wfg s LEU 33 Cb -0.14 -1.37 0.11 0.00 0.01 0.00 0.00 46.19 44.79 1wfg s LEU 33 CO 0.04 0.25 0.11 0.21 1.01 0.00 0.00 176.35 177.97 1wfg s ASN 34 N -1.44 4.30 -0.28 2.29 3.84 -1.26 -1.48 114.94 120.90 1wfg s ASN 34 Ca 0.13 -2.08 0.06 0.00 0.21 0.00 0.00 52.86 51.18 1wfg s ASN 34 Cb -0.10 -1.25 0.56 0.00 -0.55 0.00 0.00 41.25 39.91 1wfg s ASN 34 CO 0.04 -0.37 1.61 2.29 -2.79 0.00 0.00 177.10 177.89 1wfg n LYS 35 N 4.31 2.76 -2.47 0.43 0.00 -1.15 -4.94 118.16 117.10 1wfg n LYS 35 Ca 0.02 -2.36 -0.30 0.00 -0.00 0.00 0.00 58.31 55.67 1wfg n LYS 35 Cb 0.40 -1.98 -0.01 0.00 -0.00 0.00 0.00 35.03 33.44 1wfg n LYS 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wfg s ARG 36 N -2.47 3.69 0.27 -1.58 0.52 -1.25 -4.20 118.95 113.93 1wfg s ARG 36 Ca 0.43 0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 56.14 1wfg s ARG 36 Cb 0.35 -2.27 0.06 0.00 0.52 0.00 0.00 34.95 33.62 1wfg s ARG 36 CO 0.10 -0.26 0.37 1.28 0.02 0.00 0.00 175.30 176.81 1wfg n LEU 37 N -2.00 0.00 0.07 2.53 4.77 -1.07 -4.88 117.00 116.43 1wfg n LEU 37 Ca 0.03 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.41 1wfg n LEU 37 Cb 0.54 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 1wfg n LEU 37 CO 0.52 -0.75 0.61 0.50 -1.33 0.00 0.00 177.39 176.94 1wfg h LYS 38 N 0.00 -0.19 -0.94 3.23 1.63 -1.98 -2.99 116.57 115.32 1wfg h LYS 38 Ca -0.12 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 59.86 1wfg h LYS 38 Cb 0.35 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.93 1wfg h LYS 38 CO 0.09 0.15 0.54 0.22 -3.45 0.00 0.00 179.45 177.01 1wfg h ASP 39 N -0.57 0.70 0.00 4.20 1.82 -2.04 -3.45 116.42 117.07 1wfg h ASP 39 Ca -0.02 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1wfg h ASP 39 Cb 0.44 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1wfg h ASP 39 CO 0.03 0.28 0.00 0.61 -1.61 0.00 0.00 179.24 178.55 1wfg n GLY 40 N -1.33 1.50 2.72 -0.78 0.00 -1.13 -5.14 105.19 101.03 1wfg n GLY 40 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1wfg n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 41 N -2.00 0.83 0.31 1.61 0.01 -1.26 -4.81 113.70 108.39 1wfg s SER 41 Ca 0.00 0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.09 1wfg s SER 41 Cb 0.00 -0.07 -0.13 0.00 0.21 0.00 0.00 66.02 66.03 1wfg s SER 41 CO 0.00 -0.22 1.11 0.52 0.41 0.00 0.00 173.24 175.06 1wfg n VAL 42 N 5.04 2.00 -0.91 3.43 0.31 -1.26 -2.58 118.33 124.36 1wfg n VAL 42 Ca -0.09 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.68 1wfg n VAL 42 Cb 0.50 -1.21 0.05 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.65 -0.88 -0.28 5.55 -0.04 -1.26 -4.85 135.00 133.90 1wfg n PRO 43 Ca 0.08 -0.41 0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1wfg n PRO 43 Cb 0.34 -0.32 0.30 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.92 -0.06 0.04 0.54 5.12 -1.26 -4.48 116.66 114.65 1wfg n ARG 44 Ca 0.03 1.19 0.00 0.00 -1.93 0.00 0.00 57.85 57.15 1wfg n ARG 44 Cb 0.13 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.47 1wfg n ARG 44 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wfg n ASP 45 N -5.07 -0.57 -0.84 0.55 9.92 -1.26 -5.06 116.55 114.22 1wfg n ASP 45 Ca 0.22 0.16 -0.02 0.00 -0.53 0.00 0.00 54.79 54.62 1wfg n ASP 45 Cb 0.74 0.78 0.01 0.00 -0.64 0.00 0.00 41.12 42.01 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1wfg n SER 46 N -2.71 -2.40 -3.53 -2.24 2.88 -1.26 -4.13 113.62 100.23 1wfg n SER 46 Ca 0.00 -0.05 -0.17 0.00 -1.33 0.00 0.00 58.87 57.31 1wfg n SER 46 Cb 0.00 -0.95 0.01 0.00 -0.75 0.00 0.00 64.21 62.52 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 -0.68 -1.24 0.42 0.46 0.00 -1.26 -4.67 105.19 98.23 1wfg n GLY 47 Ca -0.00 0.53 0.21 0.00 0.00 0.00 0.00 46.02 46.76 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 0.94 2.26 0.00 4.61 0.00 -1.87 1.88 119.26 127.09 1wfg h ALA 48 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wfg h ALA 48 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wfg h ALA 48 CO 0.36 -0.96 0.00 -1.33 0.00 0.00 0.00 179.25 177.32 1wfg n MET 49 N -3.38 0.16 0.00 0.00 2.81 -1.26 -4.84 117.12 110.61 1wfg n MET 49 Ca 0.10 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1wfg n MET 49 Cb 0.89 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 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 -1.31 0.00 0.00 4.03 4.32 0.64 -2.68 117.00 122.00 1wfg n LEU 50 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1wfg n LEU 50 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1wfg n LEU 50 CO 0.10 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1wfg n GLY 51 N 0.00 0.00 3.48 -0.72 0.00 -1.26 -3.34 105.19 103.35 1wfg n GLY 51 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.48 -0.13 0.99 0.05 -1.09 -0.95 118.68 117.06 1wfg s LEU 52 Ca 0.00 0.61 -0.03 0.00 0.05 0.00 0.00 54.13 54.76 1wfg s LEU 52 Cb 0.00 2.40 -0.03 0.00 -2.05 0.00 0.00 46.19 46.51 1wfg s LEU 52 CO 0.00 -0.61 -0.03 -0.75 -0.55 0.00 0.00 176.35 174.41 1wfg s LYS 53 N -1.33 3.44 0.07 1.48 2.36 0.28 -4.97 119.74 121.07 1wfg s LYS 53 Ca -0.11 -0.50 0.09 0.00 -2.55 0.00 0.00 55.97 52.91 1wfg s LYS 53 Cb -0.01 -2.86 -0.03 0.00 -1.05 0.00 0.00 37.83 33.88 1wfg s LYS 53 CO 0.08 0.38 -0.24 0.08 1.55 0.00 0.00 175.35 177.20 1wfg s VAL 54 N -0.02 2.36 -0.18 4.02 1.01 -1.26 -1.41 120.40 124.92 1wfg s VAL 54 Ca 0.01 -1.46 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 1wfg s VAL 54 Cb -0.13 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.32 1wfg s VAL 54 CO 0.02 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.68 1wfg s VAL 55 N -0.92 0.94 0.00 2.92 1.01 -0.88 -4.94 120.40 118.53 1wfg s VAL 55 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1wfg s VAL 55 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1wfg s VAL 55 CO 0.04 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1wfg n GLY 56 N 4.91 2.67 2.04 4.51 0.00 -1.26 -1.73 105.19 116.33 1wfg n GLY 56 Ca -0.11 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 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 1.26 3.68 -0.02 0.00 -1.09 -4.14 105.19 109.88 1wfg n GLY 57 Ca 0.00 0.00 -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 -3.11 4.32 -0.31 1.61 2.20 -1.24 -4.64 119.74 118.58 1wfg s LYS 58 Ca 0.00 1.55 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 1wfg s LYS 58 Cb 0.00 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1wfg s LYS 58 CO 0.00 -0.51 1.19 1.41 -0.36 0.00 0.00 175.35 177.08 1wfg s MET 59 N 2.65 3.99 0.00 4.03 1.75 -1.26 -2.85 119.30 127.61 1wfg s MET 59 Ca 0.52 1.16 0.00 0.00 -1.25 0.00 0.00 55.69 56.11 1wfg s MET 59 Cb -0.21 -3.81 0.00 0.00 2.84 0.00 0.00 34.83 33.65 1wfg s MET 59 CO 0.16 -1.02 0.00 0.25 -0.65 0.00 0.00 175.02 173.77 1wfg n THR 60 N 6.05 0.00 0.12 10.11 -2.24 -0.68 -4.99 114.28 122.65 1wfg n THR 60 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 1wfg n THR 60 Cb 0.47 -1.41 0.03 0.00 -2.10 0.00 0.00 70.33 67.31 1wfg n THR 60 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1wfg h GLU 61 N 0.00 0.00 -0.00 -0.78 4.11 -1.95 -3.22 114.58 112.73 1wfg h GLU 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wfg h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wfg h GLU 61 CO 0.00 0.11 -0.01 -1.13 0.07 0.00 0.00 179.01 178.05 1wfg n SER 62 N -2.87 0.03 0.00 3.06 3.41 -1.26 -4.88 113.62 111.11 1wfg n SER 62 Ca -0.01 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1wfg n SER 62 Cb 0.62 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfg n GLY 63 N 1.33 0.40 3.64 5.00 0.00 -1.22 -5.05 105.19 109.29 1wfg n GLY 63 Ca 0.13 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.43 2.02 -0.12 1.61 0.52 -1.26 -4.90 118.95 114.38 1wfg s ARG 64 Ca 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 55.73 53.22 1wfg s ARG 64 Cb 0.00 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 1wfg s ARG 64 CO 0.00 -0.00 0.00 -0.51 0.02 0.00 0.00 175.30 174.81 1wfg s LEU 65 N -3.74 3.54 -0.01 2.53 1.43 -1.26 -1.68 118.68 119.50 1wfg s LEU 65 Ca 0.36 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1wfg s LEU 65 Cb 0.06 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1wfg s LEU 65 CO 0.19 0.28 0.11 0.00 0.23 0.00 0.00 176.35 177.16 1wfg s ALA 67 N -1.01 3.71 0.03 0.00 0.00 -1.26 -3.60 121.76 119.62 1wfg s ALA 67 Ca -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1wfg s ALA 67 Cb -0.06 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1wfg s ALA 67 CO 0.01 0.28 -0.10 -0.06 0.00 0.00 0.00 175.76 175.89 1wfg s PHE 68 N -0.08 0.88 0.29 0.00 0.08 -0.70 -1.71 117.98 116.73 1wfg s PHE 68 Ca 0.14 -0.33 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 1wfg s PHE 68 Cb -0.12 -0.53 -0.10 0.00 -0.57 0.00 0.00 43.02 41.70 1wfg s PHE 68 CO 0.03 -0.01 1.30 0.42 -0.10 0.00 0.00 175.22 176.86 1wfg s ILE 69 N -0.83 2.91 -0.13 0.64 1.01 -1.02 -2.06 121.20 121.71 1wfg s ILE 69 Ca -0.02 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1wfg s ILE 69 Cb -0.07 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 1wfg s ILE 69 CO 0.01 0.18 -0.14 0.35 0.00 0.00 0.00 174.94 175.33 1wfg n THR 70 N 1.44 0.73 -3.78 2.92 -2.24 -0.50 -1.71 114.28 111.13 1wfg n THR 70 Ca 0.02 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1wfg n THR 70 Cb 0.42 -1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.23 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 -2.25 0.51 -0.12 -0.78 2.20 -1.23 -4.64 119.74 113.42 1wfg s LYS 71 Ca -0.18 0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1wfg s LYS 71 Cb 0.06 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1wfg s LYS 71 CO 0.26 -0.12 0.10 0.54 -0.36 0.00 0.00 175.35 175.78 1wfg s VAL 72 N -0.77 -0.14 0.13 4.02 0.11 -1.26 0.98 120.40 123.47 1wfg s VAL 72 Ca -0.09 0.08 -0.34 0.00 -2.93 0.00 0.00 61.98 58.70 1wfg s VAL 72 Cb -0.04 -0.42 -0.14 0.00 -1.53 0.00 0.00 36.38 34.24 1wfg s VAL 72 CO 0.02 -0.08 1.55 1.17 -3.33 0.00 0.00 175.10 174.43 1wfg n LYS 73 N 5.30 1.96 -2.64 1.54 3.00 -0.13 -4.87 118.16 122.31 1wfg n LYS 73 Ca -0.05 0.71 -0.42 0.00 -0.00 0.00 0.00 58.31 58.54 1wfg n LYS 73 Cb 0.49 -2.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.04 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wfg s LYS 74 N 1.02 3.40 0.00 1.64 2.20 -1.26 -3.09 119.74 123.65 1wfg s LYS 74 Ca 0.81 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1wfg s LYS 74 Cb -0.73 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 31.52 1wfg s LYS 74 CO 0.40 -1.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.07 1wfg n GLY 75 N 5.15 1.85 3.80 5.54 0.00 -1.26 -5.07 105.19 115.20 1wfg n GLY 75 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 76 N -2.00 4.29 0.10 1.61 0.01 -1.18 -4.83 113.70 111.70 1wfg s SER 76 Ca 0.00 -1.49 -0.32 0.00 1.31 0.00 0.00 55.95 55.46 1wfg s SER 76 Cb 0.00 0.40 -0.13 0.00 0.21 0.00 0.00 66.02 66.50 1wfg s SER 76 CO 0.00 -0.90 1.51 -0.07 0.41 0.00 0.00 173.24 174.19 1wfg h LEU 77 N 1.19 -1.50 -5.05 2.44 -0.00 -1.88 1.31 115.31 111.82 1wfg h LEU 77 Ca -0.42 0.16 -0.43 0.00 -0.00 0.00 0.00 57.88 57.19 1wfg h LEU 77 Cb 1.30 0.56 0.01 0.00 -0.00 0.00 0.00 40.66 42.53 1wfg h LEU 77 CO 0.69 -0.50 2.52 0.00 -0.00 0.00 0.00 178.44 181.15 1wfg n ALA 78 N -2.91 5.79 0.01 1.53 0.00 -1.26 0.16 120.51 123.83 1wfg n ALA 78 Ca -0.07 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 50.96 1wfg n ALA 78 Cb 0.37 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 3.68 -0.15 0.04 0.00 2.03 -0.77 -3.91 116.55 117.46 1wfg n ASP 79 Ca 0.54 0.17 -0.20 0.00 0.52 0.00 0.00 54.79 55.82 1wfg n ASP 79 Cb 0.27 0.32 -0.11 0.00 -0.72 0.00 0.00 41.12 40.88 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1wfg h THR 80 N 0.00 1.32 0.00 5.18 1.35 0.18 -1.89 112.91 119.04 1wfg h THR 80 Ca 0.00 -2.22 -0.24 0.00 -0.55 0.00 0.00 66.41 63.40 1wfg h THR 80 Cb 0.00 2.46 -0.04 0.00 -1.73 0.00 0.00 68.15 68.84 1wfg h THR 80 CO 0.00 0.68 -1.89 1.33 -0.25 0.00 0.00 175.52 175.38 1wfg n VAL 81 N -3.94 0.90 0.09 6.82 0.24 -0.66 -4.60 118.33 117.17 1wfg n VAL 81 Ca -0.11 -0.38 -0.17 0.00 -2.04 0.00 0.00 64.34 61.63 1wfg n VAL 81 Cb 0.84 -0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 32.12 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 1.45 0.52 -6.18 7.63 0.00 -0.47 -3.45 103.07 102.57 1wfg h GLY 82 Ca -0.35 -1.06 -0.45 0.00 0.00 0.00 0.00 47.33 45.47 1wfg h GLY 82 CO -0.04 0.94 -0.77 1.42 0.00 0.00 0.00 176.54 178.09 1wfg n HIS 83 N -3.71 -2.26 -1.46 5.60 -0.00 -0.71 -4.70 115.22 107.99 1wfg n HIS 83 Ca -0.10 0.90 -0.14 0.00 -0.00 0.00 0.00 57.72 58.39 1wfg n HIS 83 Cb 0.94 -4.25 0.09 0.00 -0.00 0.00 0.00 29.99 26.78 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 -4.59 0.00 -3.59 2.41 4.77 -1.25 -4.89 117.00 109.85 1wfg n LEU 84 Ca -0.07 -0.69 -0.16 0.00 -0.03 0.00 0.00 56.01 55.06 1wfg n LEU 84 Cb 0.58 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1wfg n LEU 84 CO 0.72 -0.93 0.35 -0.13 -1.33 0.00 0.00 177.39 176.07 1wfg s ARG 85 N -4.33 0.93 -1.05 3.23 1.81 -1.26 -4.83 118.95 113.44 1wfg s ARG 85 Ca 0.35 0.34 -0.23 0.00 -1.72 0.00 0.00 55.73 54.47 1wfg s ARG 85 Cb -0.01 0.44 -0.00 0.00 -0.45 0.00 0.00 34.95 34.93 1wfg s ARG 85 CO 0.24 -0.25 1.74 -1.25 -0.68 0.00 0.00 175.30 175.10 1wfg s PRO 86 N -0.85 3.14 0.00 3.54 0.04 -1.26 -2.77 135.00 136.85 1wfg s PRO 86 Ca -0.09 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 59.96 1wfg s PRO 86 Cb -0.02 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1wfg s PRO 86 CO 0.07 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.64 1wfg n GLY 87 N 6.47 0.35 2.06 0.56 0.00 -0.70 -4.80 105.19 109.14 1wfg n GLY 87 Ca 0.40 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.93 -3.60 1.61 8.00 -1.11 -4.61 116.55 113.91 1wfg n ASP 88 Ca 0.00 -0.44 -0.29 0.00 0.71 0.00 0.00 54.79 54.77 1wfg n ASP 88 Cb 0.00 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.36 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 -3.60 0.32 -0.23 -1.24 2.12 -1.26 -2.44 118.70 112.36 1wfg s GLU 89 Ca 0.33 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.77 1wfg s GLU 89 Cb -0.06 -1.45 -0.01 0.00 0.26 0.00 0.00 34.13 32.87 1wfg s GLU 89 CO 0.28 -0.96 1.41 0.54 -0.54 0.00 0.00 175.26 175.98 1wfg s VAL 90 N 1.99 4.01 -0.13 3.70 0.11 -0.70 -2.61 120.40 126.77 1wfg s VAL 90 Ca 0.08 1.16 -0.08 0.00 -2.93 0.00 0.00 61.98 60.21 1wfg s VAL 90 Cb -0.16 -3.94 -0.06 0.00 -1.53 0.00 0.00 36.38 30.69 1wfg s VAL 90 CO -0.31 -0.32 0.04 -0.07 -3.33 0.00 0.00 175.10 171.11 1wfg h LEU 91 N 10.81 0.00 -9.58 2.54 3.38 0.22 -3.37 115.31 119.31 1wfg h LEU 91 Ca -0.29 -0.15 -0.56 0.00 0.09 0.00 0.00 57.88 56.97 1wfg h LEU 91 Cb 1.12 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 1wfg h LEU 91 CO 1.00 0.73 -0.63 -1.61 0.09 0.00 0.00 178.44 178.02 1wfg s GLU 92 N -1.94 2.29 -0.35 1.13 2.02 -1.23 0.19 118.70 120.82 1wfg s GLU 92 Ca -0.10 -1.44 0.01 0.00 0.02 0.00 0.00 54.97 53.46 1wfg s GLU 92 Cb 0.01 -2.15 0.14 0.00 0.10 0.00 0.00 34.13 32.23 1wfg s GLU 92 CO 0.20 0.33 0.30 -0.46 0.02 0.00 0.00 175.26 175.65 1wfg s TRP 93 N -2.34 0.04 -0.78 1.61 -0.11 0.19 -2.13 118.94 115.41 1wfg s TRP 93 Ca 0.32 -0.99 0.00 0.00 1.22 0.00 0.00 56.10 56.65 1wfg s TRP 93 Cb -0.06 -0.61 0.00 0.00 -1.50 0.00 0.00 33.47 31.31 1wfg s TRP 93 CO 0.20 -0.91 0.00 -1.71 -4.62 0.00 0.00 176.95 169.91 1wfg n ASN 94 N 4.40 -3.31 0.00 5.86 2.85 0.77 -2.22 115.26 123.61 1wfg n ASN 94 Ca 0.08 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1wfg n ASN 94 Cb 0.43 -2.31 0.00 0.00 1.24 0.00 0.00 39.78 39.14 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 -1.27 1.24 3.61 8.20 0.00 -1.26 -4.93 105.19 110.77 1wfg n GLY 95 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1wfg n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 96 N -0.97 3.88 0.11 1.61 1.81 -0.94 -5.01 118.95 119.45 1wfg s ARG 96 Ca 0.00 0.64 -0.31 0.00 -1.72 0.00 0.00 55.73 54.34 1wfg s ARG 96 Cb 0.00 -3.79 -0.07 0.00 -0.45 0.00 0.00 34.95 30.64 1wfg s ARG 96 CO 0.00 -0.92 1.29 -1.17 -0.68 0.00 0.00 175.30 173.82 1wfg s LEU 97 N 3.45 4.38 -0.01 2.53 2.96 -1.26 0.53 118.68 131.26 1wfg s LEU 97 Ca 0.38 2.20 0.22 0.00 -0.22 0.00 0.00 54.13 56.71 1wfg s LEU 97 Cb -0.12 -3.59 -0.28 0.00 0.50 0.00 0.00 46.19 42.70 1wfg s LEU 97 CO 0.18 -0.54 0.52 0.18 -1.32 0.00 0.00 176.35 175.37 1wfg n LEU 98 N 3.64 0.13 -4.58 -0.68 4.77 0.51 -4.66 117.00 116.12 1wfg n LEU 98 Ca 0.09 0.05 -0.48 0.00 -0.03 0.00 0.00 56.01 55.64 1wfg n LEU 98 Cb 0.44 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1wfg n LEU 98 CO 0.57 0.03 1.67 0.00 -1.33 0.00 0.00 177.39 178.33 1wfg n GLN 99 N -2.38 1.72 0.00 3.23 6.02 -1.22 0.56 117.38 125.31 1wfg n GLN 99 Ca -0.07 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1wfg n GLN 99 Cb 0.63 -2.69 0.00 0.00 1.02 0.00 0.00 30.24 29.21 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 5.42 3.06 3.72 1.08 0.00 0.49 -4.97 105.19 113.99 1wfg n GLY 100 Ca 0.31 0.00 -0.42 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 -0.62 1.72 -1.62 4.61 0.00 0.19 -4.58 120.51 120.21 1wfg n ALA 101 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 1wfg n ALA 101 Cb 0.00 -2.33 0.12 0.00 0.00 0.00 0.00 19.45 17.25 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 -0.88 2.03 0.33 0.00 -4.23 -1.26 -2.67 115.64 108.96 1wfg s THR 102 Ca 0.57 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.17 1wfg s THR 102 Cb -0.54 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 70.80 1wfg s THR 102 CO 0.60 -0.01 1.82 0.15 -0.54 0.00 0.00 174.62 176.64 1wfg h PHE 103 N -1.38 0.92 -0.07 3.99 3.04 -1.82 0.15 116.94 121.77 1wfg h PHE 103 Ca -0.49 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.36 1wfg h PHE 103 Cb 1.33 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 39.56 1wfg h PHE 103 CO 0.30 0.27 -0.44 0.93 -2.02 0.00 0.00 178.31 177.36 1wfg h GLU 104 N 0.72 0.41 -0.17 1.11 5.08 -1.91 -2.53 114.58 117.29 1wfg h GLU 104 Ca 0.51 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1wfg h GLU 104 Cb 0.85 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1wfg h GLU 104 CO -0.28 1.00 -0.11 0.93 -1.00 0.00 0.00 179.01 179.56 1wfg h GLU 105 N -0.05 -0.10 -0.99 2.33 5.08 -1.52 1.49 114.58 120.81 1wfg h GLU 105 Ca -0.04 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1wfg h GLU 105 Cb 1.10 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1wfg h GLU 105 CO 0.09 -0.06 0.65 0.28 -1.00 0.00 0.00 179.01 178.96 1wfg h VAL 106 N -0.10 1.14 -0.09 3.13 2.07 -0.83 -1.91 116.25 119.65 1wfg h VAL 106 Ca 0.10 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1wfg h VAL 106 Cb 0.25 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1wfg h VAL 106 CO -0.23 0.22 -0.10 0.22 0.02 0.00 0.00 177.57 177.70 1wfg h TYR 107 N 1.22 0.27 -1.04 1.57 5.03 -0.73 -2.92 116.97 120.38 1wfg h TYR 107 Ca 0.41 -0.08 0.28 0.00 2.58 0.00 0.00 58.73 61.92 1wfg h TYR 107 Cb 0.07 -0.06 -0.07 0.00 1.55 0.00 0.00 36.73 38.23 1wfg h TYR 107 CO -0.00 0.66 0.71 -0.91 -1.32 0.00 0.00 178.16 177.31 1wfg h ASN 108 N -0.20 0.22 0.00 -2.11 2.35 0.25 0.73 115.58 116.82 1wfg h ASN 108 Ca 0.01 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1wfg h ASN 108 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1wfg h ASN 108 CO 0.02 0.05 0.00 -0.38 -1.65 0.00 0.00 177.43 175.47 1wfg n ILE 109 N -4.41 0.00 -0.36 2.81 5.41 -0.77 0.19 119.36 122.24 1wfg n ILE 109 Ca 0.23 1.05 0.26 0.00 1.00 0.00 0.00 62.75 65.30 1wfg n ILE 109 Cb 0.99 -1.97 0.54 0.00 -0.71 0.00 0.00 39.64 38.49 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 0.40 -0.18 1.39 2.04 -1.26 1.68 117.51 121.58 1wfg h ILE 110 Ca 0.00 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 1wfg h ILE 110 Cb 0.00 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1wfg h ILE 110 CO 0.00 0.06 -0.65 0.25 0.00 0.00 0.00 178.15 177.81 1wfg h LEU 111 N 0.31 0.76 -0.73 1.44 7.12 0.48 -2.94 115.31 121.75 1wfg h LEU 111 Ca 0.66 -0.45 -0.10 0.00 0.13 0.00 0.00 57.88 58.12 1wfg h LEU 111 Cb 1.79 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.69 1wfg h LEU 111 CO -0.35 1.21 -0.50 -0.33 -0.13 0.00 0.00 178.44 178.34 1wfg h GLU 112 N 0.48 0.00 -0.86 1.25 4.39 1.26 -2.76 114.58 118.34 1wfg h GLU 112 Ca -0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 1wfg h GLU 112 Cb 1.23 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.80 1wfg h GLU 112 CO 0.13 0.50 0.19 0.43 -1.16 0.00 0.00 179.01 179.09 1wfg n SER 113 N -3.56 3.72 -0.01 1.42 7.64 0.43 -4.24 113.62 119.02 1wfg n SER 113 Ca -0.00 -2.76 -0.13 0.00 1.01 0.00 0.00 58.87 56.98 1wfg n SER 113 Cb 0.59 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wfg h LYS 114 N 1.62 -0.03 0.00 1.43 1.57 -1.34 -3.22 116.57 116.60 1wfg h LYS 114 Ca 0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1wfg h LYS 114 Cb 1.76 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.05 1wfg h LYS 114 CO 0.48 0.49 -0.57 -1.00 -0.57 0.00 0.00 179.45 178.28 1wfg h PRO 115 N -0.55 0.00 -6.04 3.15 0.13 -1.83 -3.45 132.00 123.42 1wfg h PRO 115 Ca -0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.49 1wfg h PRO 115 Cb 0.53 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.80 1wfg h PRO 115 CO 0.00 0.57 -0.77 0.39 -0.23 0.00 0.00 178.00 177.96 1wfg n GLU 116 N -3.52 0.07 0.08 0.86 -0.58 -1.22 -4.86 120.64 111.48 1wfg n GLU 116 Ca -0.00 0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.69 1wfg n GLU 116 Cb 0.65 -1.06 0.02 0.00 -0.57 0.00 0.00 31.44 30.49 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 0.57 0.21 -4.38 3.49 0.13 -1.89 -3.47 132.00 126.67 1wfg h PRO 117 Ca -0.35 -0.21 -0.16 0.00 -0.87 0.00 0.00 66.00 64.41 1wfg h PRO 117 Cb 1.44 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.47 1wfg h PRO 117 CO 0.50 0.91 -0.67 1.14 -0.23 0.00 0.00 178.00 179.66 1wfg s GLN 118 N -3.35 0.77 -0.08 0.86 -2.07 -1.26 -2.94 119.66 111.59 1wfg s GLN 118 Ca -0.03 -1.33 -0.01 0.00 -1.82 0.00 0.00 55.36 52.17 1wfg s GLN 118 Cb 0.11 0.16 0.03 0.00 -1.09 0.00 0.00 33.01 32.21 1wfg s GLN 118 CO 0.82 -0.16 -0.02 0.08 -1.32 0.00 0.00 175.29 174.69 1wfg s VAL 119 N -3.92 0.57 -0.16 3.63 1.01 -0.55 -4.94 120.40 116.04 1wfg s VAL 119 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1wfg s VAL 119 Cb 0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1wfg s VAL 119 CO -0.04 0.29 0.02 -0.70 0.00 0.00 0.00 175.10 174.67 1wfg s GLU 120 N 1.85 3.70 0.32 2.72 -6.30 -1.26 -0.42 118.70 119.33 1wfg s GLU 120 Ca 0.04 -0.40 0.10 0.00 -2.50 0.00 0.00 54.97 52.21 1wfg s GLU 120 Cb -0.12 -3.05 -0.06 0.00 0.00 0.00 0.00 34.13 30.90 1wfg s GLU 120 CO -0.06 0.36 -0.10 -0.51 0.02 0.00 0.00 175.26 174.97 1wfg s LEU 121 N 0.10 2.77 -0.19 2.70 1.02 0.52 0.27 118.68 125.87 1wfg s LEU 121 Ca 0.03 -1.09 -0.04 0.00 0.02 0.00 0.00 54.13 53.05 1wfg s LEU 121 Cb -0.13 -1.13 0.09 0.00 0.02 0.00 0.00 46.19 45.04 1wfg s LEU 121 CO 0.01 -0.14 0.23 -0.69 0.02 0.00 0.00 176.35 175.79 1wfg s VAL 122 N -2.55 -0.34 -0.01 -1.59 1.01 -0.91 -0.89 120.40 115.11 1wfg s VAL 122 Ca 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1wfg s VAL 122 Cb -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1wfg s VAL 122 CO 0.17 -0.14 -0.06 0.68 0.00 0.00 0.00 175.10 175.75 1wfg s VAL 123 N 2.35 3.74 -0.33 2.92 -7.23 0.31 0.21 120.40 122.36 1wfg s VAL 123 Ca 0.06 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 59.51 1wfg s VAL 123 Cb -0.15 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.23 1wfg s VAL 123 CO -0.11 0.44 0.07 -0.55 -0.31 0.00 0.00 175.10 174.63 1wfg s SER 124 N -1.29 5.13 0.42 4.85 0.15 -1.07 0.88 113.70 122.77 1wfg s SER 124 Ca 0.16 -1.24 -0.01 0.00 0.70 0.00 0.00 55.95 55.57 1wfg s SER 124 Cb -0.11 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.38 1wfg s SER 124 CO 0.06 -0.31 0.65 -0.13 1.20 0.00 0.00 173.24 174.72 1wfg s ARG 125 N 1.33 3.27 -0.47 5.44 0.52 0.55 -4.59 118.95 125.00 1wfg s ARG 125 Ca -0.03 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 54.74 1wfg s ARG 125 Cb -0.20 -2.56 0.09 0.00 0.52 0.00 0.00 34.95 32.81 1wfg s ARG 125 CO 0.01 -0.13 0.36 -1.54 0.02 0.00 0.00 175.30 174.01 1wfg s SER 126 N -4.14 5.90 0.62 0.23 1.04 -1.26 0.19 113.70 116.27 1wfg s SER 126 Ca 0.45 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1wfg s SER 126 Cb -0.10 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1wfg s SER 126 CO 0.38 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1wfg n GLY 127 N 5.06 -3.87 3.80 7.32 0.00 0.19 -4.88 105.19 112.81 1wfg n GLY 127 Ca -0.11 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1wfg n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfg s PRO 128 N -5.06 2.01 -0.33 1.61 0.04 -1.26 -4.57 135.00 127.44 1wfg s PRO 128 Ca 0.00 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.56 1wfg s PRO 128 Cb 0.00 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1wfg s PRO 128 CO 0.00 -1.67 0.27 0.43 0.04 0.00 0.00 177.00 176.08 1wfg n SER 129 N -3.46 -7.61 -4.79 6.66 7.64 -1.26 -4.94 113.62 105.86 1wfg n SER 129 Ca 0.07 0.85 -0.35 0.00 1.01 0.00 0.00 58.87 60.45 1wfg n SER 129 Cb 0.56 -4.57 -0.04 0.00 -1.01 0.00 0.00 64.21 59.15 1wfg n SER 129 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfg s SER 130 N -1.89 6.70 0.00 6.43 1.04 -1.26 -5.15 113.70 119.57 1wfg s SER 130 Ca 0.13 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.51 1wfg s SER 130 Cb -0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1wfg s SER 130 CO 0.70 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 175.00