#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 6.04 -0.27 1.61 0.01 -1.26 -4.90 113.70 114.93 1wfg s SER 2 Ca 0.00 0.16 -0.27 0.00 1.31 0.00 0.00 55.95 57.15 1wfg s SER 2 Cb 0.00 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.85 1wfg s SER 2 CO 0.00 -1.81 1.26 -0.94 0.41 0.00 0.00 173.24 172.16 1wfg s SER 3 N 4.71 -0.18 0.00 2.44 1.04 -1.26 -5.16 113.70 115.29 1wfg s SER 3 Ca 0.51 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1wfg s SER 3 Cb -0.10 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1wfg s SER 3 CO 0.23 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1wfg n GLY 4 N 1.27 1.92 3.22 7.32 0.00 -1.26 -5.17 105.19 112.48 1wfg n GLY 4 Ca -0.08 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1wfg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 5 N 0.00 -0.43 0.86 1.61 0.01 -1.26 -5.14 113.70 109.35 1wfg s SER 5 Ca 0.00 0.77 -0.17 0.00 1.31 0.00 0.00 55.95 57.86 1wfg s SER 5 Cb 0.00 0.68 -0.13 0.00 0.21 0.00 0.00 66.02 66.78 1wfg s SER 5 CO 0.00 -0.17 -0.48 -0.24 0.41 0.00 0.00 173.24 172.76 1wfg n SER 6 N 3.96 -4.91 -0.53 2.44 2.88 -1.26 -4.61 113.62 111.59 1wfg n SER 6 Ca -0.22 0.33 0.04 0.00 -1.33 0.00 0.00 58.87 57.69 1wfg n SER 6 Cb 0.55 -0.84 -0.01 0.00 -0.75 0.00 0.00 64.21 63.16 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 3.01 -0.59 2.32 0.46 0.00 -1.26 -4.70 105.19 104.42 1wfg n GLY 7 Ca 0.02 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1wfg n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wfg n HIS 8 N -1.45 -0.63 -3.55 1.61 -0.00 -1.26 -5.01 115.22 104.93 1wfg n HIS 8 Ca 0.00 -3.37 -0.28 0.00 -0.00 0.00 0.00 57.72 54.07 1wfg n HIS 8 Cb 0.13 0.06 -0.11 0.00 -0.00 0.00 0.00 29.99 30.07 1wfg n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wfg s SER 9 N -1.99 2.55 0.21 0.41 0.15 -1.26 -5.09 113.70 108.68 1wfg s SER 9 Ca 0.36 -3.17 -0.22 0.00 0.70 0.00 0.00 55.95 53.61 1wfg s SER 9 Cb 0.31 -0.78 0.05 0.00 -1.71 0.00 0.00 66.02 63.88 1wfg s SER 9 CO -0.09 -0.17 0.68 -1.00 1.20 0.00 0.00 173.24 173.87 1wfg s HIS 10 N -0.23 -0.36 0.44 3.44 0.09 -1.26 -5.18 115.29 112.23 1wfg s HIS 10 Ca 0.29 0.03 0.08 0.00 -0.00 0.00 0.00 55.06 55.46 1wfg s HIS 10 Cb -0.02 0.63 0.00 0.00 -0.00 0.00 0.00 32.58 33.19 1wfg s HIS 10 CO -0.16 -1.01 0.49 -1.12 -0.00 0.00 0.00 174.74 172.93 1wfg s SER 11 N -2.82 5.26 -0.54 1.40 0.01 -1.26 -4.79 113.70 110.96 1wfg s SER 11 Ca 0.06 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 1wfg s SER 11 Cb -0.03 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1wfg s SER 11 CO -0.03 -0.77 0.51 -0.67 0.41 0.00 0.00 173.24 172.69 1wfg n ASP 12 N -1.73 -6.24 0.00 2.44 -0.08 -1.26 -5.00 116.55 104.68 1wfg n ASP 12 Ca 0.06 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1wfg n ASP 12 Cb 0.61 -4.15 0.00 0.00 2.34 0.00 0.00 41.12 39.92 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 -1.56 0.00 -4.30 -0.67 4.76 -1.26 -4.91 118.16 110.23 1wfg n LYS 13 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1wfg n LYS 13 Cb 0.50 -0.26 -0.13 0.00 -1.84 0.00 0.00 35.03 33.30 1wfg n LYS 13 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1wfg s HIS 14 N 0.00 1.32 0.10 2.13 3.76 -1.26 -5.05 115.29 116.30 1wfg s HIS 14 Ca 0.00 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.40 1wfg s HIS 14 Cb 0.00 -0.76 -0.16 0.00 1.11 0.00 0.00 32.58 32.77 1wfg s HIS 14 CO 0.00 0.06 1.27 -1.00 -0.85 0.00 0.00 174.74 174.22 1wfg h PRO 15 N 4.60 0.65 -5.98 8.40 0.13 -1.91 -3.45 132.00 134.45 1wfg h PRO 15 Ca -0.40 -0.63 -0.61 0.00 -0.87 0.00 0.00 66.00 63.49 1wfg h PRO 15 Cb 1.18 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1wfg h PRO 15 CO 0.42 1.23 -0.40 0.14 -0.23 0.00 0.00 178.00 179.16 1wfg s VAL 16 N -3.45 5.29 -0.16 1.56 -7.23 -1.26 -2.78 120.40 112.37 1wfg s VAL 16 Ca -0.09 -0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.97 1wfg s VAL 16 Cb 0.08 -3.60 0.07 0.00 0.56 0.00 0.00 36.38 33.49 1wfg s VAL 16 CO 0.90 0.20 0.35 0.42 -0.31 0.00 0.00 175.10 176.66 1wfg s THR 17 N -1.46 -0.41 -0.29 5.32 -4.23 0.20 -4.99 115.64 109.77 1wfg s THR 17 Ca 0.34 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.05 1wfg s THR 17 Cb -0.13 -0.55 0.06 0.00 1.34 0.00 0.00 72.50 73.22 1wfg s THR 17 CO 0.22 0.08 -0.05 0.26 -0.54 0.00 0.00 174.62 174.59 1wfg s TRP 18 N 2.23 3.31 0.03 3.99 0.52 -1.26 0.74 118.94 128.49 1wfg s TRP 18 Ca -0.03 -2.19 -0.01 0.00 0.02 0.00 0.00 56.10 53.90 1wfg s TRP 18 Cb -0.11 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1wfg s TRP 18 CO -0.11 -0.86 -0.02 -0.65 0.02 0.00 0.00 176.95 175.33 1wfg s GLN 19 N 1.15 0.39 0.78 4.98 -1.52 -0.90 -4.99 119.66 119.55 1wfg s GLN 19 Ca -0.06 -0.74 -0.11 0.00 -1.95 0.00 0.00 55.36 52.50 1wfg s GLN 19 Cb -0.20 0.14 0.06 0.00 -0.22 0.00 0.00 33.01 32.79 1wfg s GLN 19 CO -0.04 -0.07 1.09 -1.25 -0.25 0.00 0.00 175.29 174.78 1wfg s PRO 20 N -2.03 2.21 1.12 2.91 0.04 -1.26 0.13 135.00 138.12 1wfg s PRO 20 Ca -0.11 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 1wfg s PRO 20 Cb -0.06 -1.93 0.26 0.00 0.04 0.00 0.00 34.50 32.81 1wfg s PRO 20 CO -0.03 -1.54 1.05 -1.54 0.04 0.00 0.00 177.00 174.98 1wfg s SER 21 N -3.90 1.47 0.18 6.66 1.04 0.46 -4.66 113.70 114.96 1wfg s SER 21 Ca 0.60 1.33 -0.26 0.00 0.48 0.00 0.00 55.95 58.11 1wfg s SER 21 Cb -0.14 -2.07 0.05 0.00 0.10 0.00 0.00 66.02 63.95 1wfg s SER 21 CO 0.54 -3.87 1.56 0.50 0.98 0.00 0.00 173.24 172.95 1wfg h LYS 22 N -2.40 -0.13 0.00 4.02 3.11 -1.96 -2.54 116.57 116.68 1wfg h LYS 22 Ca -0.60 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.25 1wfg h LYS 22 Cb 1.34 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 1wfg h LYS 22 CO 0.54 -0.09 0.00 -0.25 -2.81 0.00 0.00 179.45 176.84 1wfg n ASP 23 N -5.38 0.00 0.00 4.20 9.92 -1.26 -4.97 116.55 119.06 1wfg n ASP 23 Ca 0.03 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1wfg n ASP 23 Cb 0.34 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1wfg n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfg n GLY 24 N -0.90 0.31 0.51 0.44 0.00 -0.96 -5.06 105.19 99.53 1wfg n GLY 24 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1wfg n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 25 N 0.00 1.90 -4.91 1.61 9.92 -1.26 -4.91 116.55 118.89 1wfg n ASP 25 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.95 1wfg n ASP 25 Cb 0.00 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.42 1wfg n ASP 25 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wfg s ARG 26 N -2.02 3.44 -0.21 -1.24 1.81 -1.26 -1.06 118.95 118.41 1wfg s ARG 26 Ca -0.01 -0.40 -0.09 0.00 -1.72 0.00 0.00 55.73 53.50 1wfg s ARG 26 Cb 0.00 -3.06 -0.05 0.00 -0.45 0.00 0.00 34.95 31.40 1wfg s ARG 26 CO 0.02 0.63 0.11 -1.17 -0.68 0.00 0.00 175.30 174.21 1wfg s LEU 27 N -2.33 4.00 -0.46 2.53 1.98 0.49 0.17 118.68 125.07 1wfg s LEU 27 Ca 0.33 0.13 -0.07 0.00 -2.89 0.00 0.00 54.13 51.62 1wfg s LEU 27 Cb -0.13 -2.04 0.12 0.00 0.66 0.00 0.00 46.19 44.80 1wfg s LEU 27 CO 0.25 0.14 0.30 -0.63 -1.89 0.00 0.00 176.35 174.52 1wfg s ILE 28 N 0.59 3.87 -0.20 6.68 -1.09 0.35 0.20 121.20 131.59 1wfg s ILE 28 Ca 0.06 -1.93 -0.15 0.00 -2.23 0.00 0.00 60.65 56.40 1wfg s ILE 28 Cb -0.12 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1wfg s ILE 28 CO 0.01 -0.75 0.34 -0.83 -1.23 0.00 0.00 174.94 172.48 1wfg s GLY 29 N 2.30 2.10 -0.21 6.18 0.00 0.31 -2.12 107.32 115.88 1wfg s GLY 29 Ca 0.07 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.24 1wfg s GLY 29 CO -0.02 0.68 -0.16 0.50 0.00 0.00 0.00 173.10 174.10 1wfg s ARG 30 N 1.11 2.70 -0.11 2.90 0.52 0.23 0.19 118.95 126.48 1wfg s ARG 30 Ca 0.17 -1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1wfg s ARG 30 Cb -0.14 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1wfg s ARG 30 CO 0.07 -0.35 -0.00 0.42 0.02 0.00 0.00 175.30 175.45 1wfg s ILE 31 N 1.22 4.24 -0.04 1.52 1.09 -0.40 0.59 121.20 129.41 1wfg s ILE 31 Ca -0.00 -0.26 0.03 0.00 -1.10 0.00 0.00 60.65 59.32 1wfg s ILE 31 Cb -0.16 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 1wfg s ILE 31 CO -0.10 0.57 -0.13 -0.22 -0.10 0.00 0.00 174.94 174.96 1wfg s LEU 32 N -0.50 1.80 0.06 2.97 1.98 -1.12 0.23 118.68 124.10 1wfg s LEU 32 Ca 0.09 -0.29 0.09 0.00 -2.89 0.00 0.00 54.13 51.13 1wfg s LEU 32 Cb -0.12 -0.80 -0.03 0.00 0.66 0.00 0.00 46.19 45.90 1wfg s LEU 32 CO 0.02 0.09 -0.26 -0.76 -1.89 0.00 0.00 176.35 173.56 1wfg s LEU 33 N 0.25 2.23 -0.08 -0.68 2.01 0.69 -4.57 118.68 118.53 1wfg s LEU 33 Ca -0.06 -0.60 0.03 0.00 0.01 0.00 0.00 54.13 53.51 1wfg s LEU 33 Cb -0.12 -1.30 -0.02 0.00 0.01 0.00 0.00 46.19 44.77 1wfg s LEU 33 CO 0.02 0.25 -0.18 0.21 1.01 0.00 0.00 176.35 177.66 1wfg s ASN 34 N -1.36 3.69 -0.01 2.29 2.47 -1.26 -1.34 114.94 119.42 1wfg s ASN 34 Ca 0.12 -0.34 0.10 0.00 0.42 0.00 0.00 52.86 53.15 1wfg s ASN 34 Cb -0.10 -1.07 -0.15 0.00 -1.45 0.00 0.00 41.25 38.48 1wfg s ASN 34 CO 0.03 0.26 0.22 0.29 -3.72 0.00 0.00 177.10 174.17 1wfg n LYS 35 N 2.89 0.45 -1.89 0.43 5.02 0.25 -4.96 118.16 120.35 1wfg n LYS 35 Ca -0.18 -0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 1wfg n LYS 35 Cb 0.52 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 1wfg n LYS 35 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wfg s ARG 36 N -2.63 3.78 0.00 1.97 0.52 -1.16 -4.05 118.95 117.38 1wfg s ARG 36 Ca -0.03 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.19 1wfg s ARG 36 Cb 0.06 -4.13 0.00 0.00 0.52 0.00 0.00 34.95 31.40 1wfg s ARG 36 CO 0.40 -1.34 0.00 1.28 0.02 0.00 0.00 175.30 175.66 1wfg n LEU 37 N 8.77 0.00 -0.03 2.53 4.77 -1.26 -4.71 117.00 127.07 1wfg n LEU 37 Ca 0.21 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1wfg n LEU 37 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1wfg n LEU 37 CO 0.65 0.00 0.52 0.50 -1.33 0.00 0.00 177.39 177.73 1wfg h LYS 38 N 0.00 0.09 -0.82 3.23 1.63 -2.02 -3.21 116.57 115.47 1wfg h LYS 38 Ca 0.00 -0.07 0.12 0.00 -0.85 0.00 0.00 60.65 59.84 1wfg h LYS 38 Cb 0.00 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.56 1wfg h LYS 38 CO 0.00 0.74 0.44 -0.44 -3.45 0.00 0.00 179.45 176.74 1wfg h ASP 39 N -0.54 0.58 -0.37 4.20 5.19 -2.01 -3.46 116.42 120.01 1wfg h ASP 39 Ca -0.01 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1wfg h ASP 39 Cb 0.75 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1wfg h ASP 39 CO 0.02 0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.04 1wfg n GLY 40 N -1.32 0.78 0.00 2.75 0.00 -1.21 -4.99 105.19 101.20 1wfg n GLY 40 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.13 0.00 -1.29 1.61 7.64 -1.26 -4.91 113.62 115.53 1wfg n SER 41 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1wfg n SER 41 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1wfg n SER 41 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1wfg n VAL 42 N 0.00 -1.93 -1.55 0.44 3.14 -1.26 -4.88 118.33 112.30 1wfg n VAL 42 Ca 0.00 0.91 -0.30 0.00 -2.96 0.00 0.00 64.34 61.99 1wfg n VAL 42 Cb 0.27 -1.32 0.10 0.00 -1.06 0.00 0.00 33.84 31.84 1wfg n VAL 42 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1wfg s PRO 43 N -3.78 1.81 0.25 1.45 0.04 -1.26 -4.90 135.00 128.61 1wfg s PRO 43 Ca 0.00 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.50 1wfg s PRO 43 Cb 0.00 -1.90 0.39 0.00 0.04 0.00 0.00 34.50 33.03 1wfg s PRO 43 CO 0.00 -1.79 1.42 0.54 0.04 0.00 0.00 177.00 177.21 1wfg n ARG 44 N -3.53 -0.10 -3.40 4.56 3.00 -1.26 -4.09 116.66 111.84 1wfg n ARG 44 Ca 0.07 1.41 -0.10 0.00 -0.01 0.00 0.00 57.85 59.23 1wfg n ARG 44 Cb 0.57 -2.11 -0.09 0.00 0.00 0.00 0.00 32.46 30.84 1wfg n ARG 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1wfg s ASP 45 N -5.25 0.24 -0.36 0.55 -4.77 -1.26 -4.84 116.67 100.98 1wfg s ASP 45 Ca -0.13 0.30 0.06 0.00 -3.30 0.00 0.00 52.55 49.48 1wfg s ASP 45 Cb 0.24 1.10 0.44 0.00 -1.09 0.00 0.00 42.92 43.60 1wfg s ASP 45 CO 0.70 -0.29 1.15 -0.24 0.70 0.00 0.00 175.17 177.19 1wfg n SER 46 N 5.36 4.83 -0.70 2.11 2.88 -1.26 -4.88 113.62 121.95 1wfg n SER 46 Ca -0.04 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.76 1wfg n SER 46 Cb 0.50 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.60 0.77 0.40 0.46 0.00 -1.26 -4.86 105.19 100.10 1wfg n GLY 47 Ca 0.42 -0.55 0.20 0.00 0.00 0.00 0.00 46.02 46.09 1wfg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg h ALA 48 N 0.00 2.40 -0.07 4.61 0.00 -1.90 1.49 119.26 125.79 1wfg h ALA 48 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wfg h ALA 48 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wfg h ALA 48 CO 0.00 -0.62 0.00 -1.33 0.00 0.00 0.00 179.25 177.30 1wfg n MET 49 N -4.41 1.27 0.00 0.00 2.81 -1.26 -4.77 117.12 110.75 1wfg n MET 49 Ca 0.15 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 1wfg n MET 49 Cb 0.69 -1.30 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 -0.34 0.00 0.00 4.03 7.99 0.51 -2.99 117.00 126.20 1wfg n LEU 50 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1wfg n LEU 50 Cb 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1wfg n LEU 50 CO 0.10 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 1wfg n GLY 51 N 0.00 0.37 3.95 -0.72 0.00 -1.26 -3.48 105.19 104.05 1wfg n GLY 51 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1wfg n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wfg s LEU 52 N 0.00 4.18 0.02 0.99 -0.00 -1.16 -2.70 118.68 120.01 1wfg s LEU 52 Ca 0.00 0.28 0.05 0.00 -0.00 0.00 0.00 54.13 54.47 1wfg s LEU 52 Cb 0.00 -3.10 -0.03 0.00 -0.00 0.00 0.00 46.19 43.06 1wfg s LEU 52 CO 0.00 -0.16 -0.13 -0.75 -0.00 0.00 0.00 176.35 175.31 1wfg s LYS 53 N -4.02 2.28 -0.01 1.48 2.20 0.30 -4.96 119.74 117.01 1wfg s LYS 53 Ca 0.37 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1wfg s LYS 53 Cb -0.10 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1wfg s LYS 53 CO 0.32 0.57 -0.05 0.08 -0.36 0.00 0.00 175.35 175.91 1wfg s VAL 54 N -0.95 0.43 -0.28 4.02 1.01 -1.26 -1.86 120.40 121.51 1wfg s VAL 54 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1wfg s VAL 54 Cb -0.11 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1wfg s VAL 54 CO 0.06 0.14 -0.02 -0.69 0.00 0.00 0.00 175.10 174.59 1wfg s VAL 55 N 0.05 3.03 0.22 2.92 1.01 0.24 -4.91 120.40 122.96 1wfg s VAL 55 Ca -0.00 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1wfg s VAL 55 Cb -0.04 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.72 1wfg s VAL 55 CO -0.00 0.02 0.30 0.61 0.00 0.00 0.00 175.10 176.02 1wfg n GLY 56 N 4.66 1.51 2.81 4.51 0.00 -1.26 -1.86 105.19 115.56 1wfg n GLY 56 Ca -0.14 -2.10 0.00 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 2.52 0.12 3.71 -0.02 0.00 -1.20 -3.99 105.19 106.34 1wfg n GLY 57 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.49 4.29 -0.21 1.61 2.47 -1.09 -4.59 119.74 120.72 1wfg s LYS 58 Ca 0.00 2.15 -0.18 0.00 -1.56 0.00 0.00 55.97 56.38 1wfg s LYS 58 Cb 0.00 -3.27 -0.03 0.00 -1.46 0.00 0.00 37.83 33.07 1wfg s LYS 58 CO 0.00 -0.50 0.50 1.41 0.16 0.00 0.00 175.35 176.92 1wfg s MET 59 N 1.28 4.16 0.00 4.03 -2.45 -1.26 -2.31 119.30 122.75 1wfg s MET 59 Ca 0.66 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 55.47 1wfg s MET 59 Cb -0.38 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.12 1wfg s MET 59 CO 0.30 -0.18 0.00 0.25 1.05 0.00 0.00 175.02 176.45 1wfg n THR 60 N 4.64 0.00 0.02 10.11 -2.24 -1.19 -5.00 114.28 120.62 1wfg n THR 60 Ca -0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1wfg n THR 60 Cb 0.50 -1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 1wfg n THR 60 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wfg h GLU 61 N 0.00 0.00 0.00 -0.78 4.81 -1.97 -3.29 114.58 113.35 1wfg h GLU 61 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1wfg h GLU 61 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1wfg h GLU 61 CO 0.00 0.59 -0.21 0.66 -0.73 0.00 0.00 179.01 179.32 1wfg h SER 62 N 0.00 0.00 0.00 1.04 4.64 -2.02 -3.46 113.55 113.75 1wfg h SER 62 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1wfg h SER 62 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1wfg h SER 62 CO 0.09 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1wfg n GLY 63 N 0.35 1.91 3.77 -0.77 0.00 -1.24 -5.07 105.19 104.14 1wfg n GLY 63 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.76 4.65 0.22 1.61 0.52 -1.26 -4.72 118.95 119.21 1wfg s ARG 64 Ca 0.00 1.42 -0.12 0.00 -0.52 0.00 0.00 55.73 56.51 1wfg s ARG 64 Cb 0.00 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.43 1wfg s ARG 64 CO 0.00 0.33 0.58 -0.51 0.02 0.00 0.00 175.30 175.72 1wfg s LEU 65 N -1.77 4.21 0.18 2.53 1.43 -1.26 -3.14 118.68 120.86 1wfg s LEU 65 Ca 0.47 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.44 1wfg s LEU 65 Cb -0.22 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.42 1wfg s LEU 65 CO 0.28 -0.03 0.48 0.00 0.23 0.00 0.00 176.35 177.30 1wfg s ALA 67 N -3.88 3.09 0.02 0.00 0.00 -1.26 -2.67 121.76 117.06 1wfg s ALA 67 Ca 0.09 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1wfg s ALA 67 Cb -0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1wfg s ALA 67 CO -0.04 0.63 -0.02 -0.06 0.00 0.00 0.00 175.76 176.27 1wfg s PHE 68 N -1.04 0.24 0.33 0.00 0.40 -0.78 -0.88 117.98 116.25 1wfg s PHE 68 Ca 0.18 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.74 1wfg s PHE 68 Cb -0.11 -0.17 -0.10 0.00 0.51 0.00 0.00 43.02 43.15 1wfg s PHE 68 CO 0.09 -0.18 1.23 0.42 0.70 0.00 0.00 175.22 177.48 1wfg s ILE 69 N -1.37 2.98 -0.04 0.64 1.01 -0.92 -0.60 121.20 122.90 1wfg s ILE 69 Ca -0.15 0.97 0.02 0.00 0.00 0.00 0.00 60.65 61.49 1wfg s ILE 69 Cb -0.09 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1wfg s ILE 69 CO -0.01 0.21 -0.01 0.35 0.00 0.00 0.00 174.94 175.49 1wfg n THR 70 N 0.81 0.26 -3.60 2.92 -2.24 -0.78 -2.54 114.28 109.11 1wfg n THR 70 Ca 0.00 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1wfg n THR 70 Cb 0.43 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.09 0.88 -0.15 -0.78 2.20 -1.25 -4.73 119.74 113.82 1wfg s LYS 71 Ca -0.04 0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 56.34 1wfg s LYS 71 Cb 0.01 0.43 0.05 0.00 -1.51 0.00 0.00 37.83 36.81 1wfg s LYS 71 CO 0.13 -0.16 0.05 0.54 -0.36 0.00 0.00 175.35 175.55 1wfg s VAL 72 N -0.02 0.27 0.58 4.02 0.11 -1.26 0.11 120.40 124.21 1wfg s VAL 72 Ca -0.03 -0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 58.59 1wfg s VAL 72 Cb -0.04 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1wfg s VAL 72 CO 0.03 -0.11 1.03 1.17 -3.33 0.00 0.00 175.10 173.89 1wfg n LYS 73 N 5.15 1.04 -3.26 1.54 3.00 -1.10 -4.93 118.16 119.60 1wfg n LYS 73 Ca -0.08 0.40 -0.43 0.00 -0.00 0.00 0.00 58.31 58.20 1wfg n LYS 73 Cb 0.48 -2.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.21 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wfg s LYS 74 N -2.73 3.13 0.00 1.64 2.36 -1.26 -3.92 119.74 118.95 1wfg s LYS 74 Ca 0.74 -0.70 0.00 0.00 -2.55 0.00 0.00 55.97 53.47 1wfg s LYS 74 Cb -0.43 -3.98 0.00 0.00 -1.05 0.00 0.00 37.83 32.38 1wfg s LYS 74 CO 0.48 -0.91 0.00 0.41 1.55 0.00 0.00 175.35 176.87 1wfg n GLY 75 N 5.10 1.75 3.60 5.54 0.00 -1.26 -5.06 105.19 114.86 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 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 76 N -2.00 3.97 0.14 1.61 0.01 -1.25 -4.83 113.70 111.35 1wfg s SER 76 Ca 0.00 -1.14 -0.32 0.00 1.31 0.00 0.00 55.95 55.80 1wfg s SER 76 Cb 0.00 -0.43 -0.09 0.00 0.21 0.00 0.00 66.02 65.70 1wfg s SER 76 CO 0.00 -0.28 1.54 -0.07 0.41 0.00 0.00 173.24 174.84 1wfg h LEU 77 N 1.86 -2.00 -5.04 2.44 -0.00 -1.92 1.45 115.31 112.10 1wfg h LEU 77 Ca -0.43 0.28 -0.40 0.00 -0.00 0.00 0.00 57.88 57.33 1wfg h LEU 77 Cb 1.25 0.85 0.00 0.00 -0.00 0.00 0.00 40.66 42.77 1wfg h LEU 77 CO 0.71 -0.32 2.32 0.00 -0.00 0.00 0.00 178.44 181.15 1wfg n ALA 78 N -3.16 5.58 0.00 1.53 0.00 -1.26 -0.26 120.51 122.94 1wfg n ALA 78 Ca -0.01 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.16 1wfg n ALA 78 Cb 0.30 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 3.65 -0.00 0.07 0.00 2.03 0.03 -3.95 116.55 118.39 1wfg n ASP 79 Ca 0.51 0.07 -0.11 0.00 0.52 0.00 0.00 54.79 55.78 1wfg n ASP 79 Cb 0.29 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 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 1.44 0.00 5.18 1.35 0.20 -1.77 112.91 119.31 1wfg h THR 80 Ca 0.00 -2.52 -0.10 0.00 -0.55 0.00 0.00 66.41 63.24 1wfg h THR 80 Cb 0.00 2.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 1wfg h THR 80 CO 0.00 0.74 -1.38 1.33 -0.25 0.00 0.00 175.52 175.96 1wfg n VAL 81 N -3.71 0.39 0.06 6.82 0.24 -0.55 -4.67 118.33 116.91 1wfg n VAL 81 Ca -0.05 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 1wfg n VAL 81 Cb 0.82 -0.76 -0.13 0.00 -1.47 0.00 0.00 33.84 32.30 1wfg n VAL 81 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1wfg h GLY 82 N 0.60 0.11 -5.43 7.63 0.00 -0.82 -3.43 103.07 101.73 1wfg h GLY 82 Ca -0.15 -0.27 -0.36 0.00 0.00 0.00 0.00 47.33 46.55 1wfg h GLY 82 CO -0.02 0.24 -0.52 1.42 0.00 0.00 0.00 176.54 177.65 1wfg n HIS 83 N -3.38 -1.74 -0.52 5.60 -0.00 -0.66 -4.67 115.22 109.85 1wfg n HIS 83 Ca -0.05 0.42 -0.12 0.00 -0.00 0.00 0.00 57.72 57.96 1wfg n HIS 83 Cb 0.98 -2.72 0.11 0.00 -0.00 0.00 0.00 29.99 28.36 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 -3.60 0.00 -3.55 2.41 4.77 -1.25 -4.88 117.00 110.89 1wfg n LEU 84 Ca -0.01 -0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 55.35 1wfg n LEU 84 Cb 0.54 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1wfg n LEU 84 CO 0.49 -1.67 0.38 -0.13 -1.33 0.00 0.00 177.39 175.12 1wfg s ARG 85 N -3.97 1.02 -1.00 3.23 1.81 -1.26 -4.84 118.95 113.93 1wfg s ARG 85 Ca 0.29 0.15 -0.23 0.00 -1.72 0.00 0.00 55.73 54.21 1wfg s ARG 85 Cb -0.04 0.48 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1wfg s ARG 85 CO 0.23 -0.32 1.71 -1.25 -0.68 0.00 0.00 175.30 174.98 1wfg s PRO 86 N -1.38 3.11 0.00 3.54 0.04 -1.26 -3.72 135.00 135.33 1wfg s PRO 86 Ca -0.11 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.10 1wfg s PRO 86 Cb -0.01 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1wfg s PRO 86 CO 0.08 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1wfg n GLY 87 N 6.71 0.00 3.01 0.56 0.00 -1.05 -4.83 105.19 109.59 1wfg n GLY 87 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1wfg n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wfg n ASP 88 N 0.00 1.93 -3.70 1.61 2.03 -1.24 -4.92 116.55 112.25 1wfg n ASP 88 Ca 0.00 -2.91 -0.28 0.00 0.52 0.00 0.00 54.79 52.12 1wfg n ASP 88 Cb 0.00 0.69 -0.16 0.00 -0.72 0.00 0.00 41.12 40.93 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1wfg s GLU 89 N -3.44 0.59 -0.21 -0.67 2.12 -1.26 -2.16 118.70 113.67 1wfg s GLU 89 Ca 0.12 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 1wfg s GLU 89 Cb 0.01 -1.92 -0.00 0.00 0.26 0.00 0.00 34.13 32.47 1wfg s GLU 89 CO 0.08 -0.80 1.20 0.08 -0.54 0.00 0.00 175.26 175.28 1wfg s VAL 90 N 1.83 4.37 -0.12 3.70 1.01 -0.06 -2.79 120.40 128.33 1wfg s VAL 90 Ca 0.04 1.64 -0.13 0.00 0.00 0.00 0.00 61.98 63.53 1wfg s VAL 90 Cb -0.17 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1wfg s VAL 90 CO -0.18 -0.21 0.30 -0.07 0.00 0.00 0.00 175.10 174.94 1wfg h LEU 91 N 9.84 0.00 -8.98 3.92 3.38 0.22 -3.36 115.31 120.33 1wfg h LEU 91 Ca -0.24 -0.41 -0.48 0.00 0.09 0.00 0.00 57.88 56.84 1wfg h LEU 91 Cb 1.09 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1wfg h LEU 91 CO 0.98 0.75 -0.73 -1.61 0.09 0.00 0.00 178.44 177.93 1wfg s GLU 92 N -1.89 1.42 -0.36 1.13 2.02 -1.24 0.19 118.70 119.97 1wfg s GLU 92 Ca -0.10 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 53.25 1wfg s GLU 92 Cb -0.01 -1.23 0.13 0.00 0.10 0.00 0.00 34.13 33.12 1wfg s GLU 92 CO 0.31 0.19 0.19 -0.46 0.02 0.00 0.00 175.26 175.51 1wfg s TRP 93 N -2.90 1.06 -0.80 1.61 -0.11 0.32 -2.56 118.94 115.57 1wfg s TRP 93 Ca 0.25 -1.71 0.00 0.00 1.22 0.00 0.00 56.10 55.85 1wfg s TRP 93 Cb -0.01 -1.23 0.00 0.00 -1.50 0.00 0.00 33.47 30.74 1wfg s TRP 93 CO 0.09 -0.82 0.00 -1.71 -4.62 0.00 0.00 176.95 169.88 1wfg n ASN 94 N 4.19 -3.52 0.00 5.86 2.85 0.69 -2.30 115.26 123.03 1wfg n ASN 94 Ca 0.07 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1wfg n ASN 94 Cb 0.38 -2.22 0.00 0.00 1.24 0.00 0.00 39.78 39.17 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 -1.54 2.01 3.60 8.20 0.00 -1.26 -4.89 105.19 111.30 1wfg n GLY 95 Ca -0.09 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 -0.73 3.78 0.15 1.61 1.81 -0.97 -5.00 118.95 119.60 1wfg s ARG 96 Ca 0.00 0.53 -0.31 0.00 -1.72 0.00 0.00 55.73 54.24 1wfg s ARG 96 Cb 0.00 -3.84 -0.08 0.00 -0.45 0.00 0.00 34.95 30.58 1wfg s ARG 96 CO 0.00 -1.06 1.35 -1.17 -0.68 0.00 0.00 175.30 173.74 1wfg s LEU 97 N 3.69 4.39 0.02 2.53 2.96 -1.26 0.12 118.68 131.12 1wfg s LEU 97 Ca 0.40 2.36 0.20 0.00 -0.22 0.00 0.00 54.13 56.87 1wfg s LEU 97 Cb -0.11 -3.60 -0.19 0.00 0.50 0.00 0.00 46.19 42.79 1wfg s LEU 97 CO 0.22 -0.60 0.63 0.18 -1.32 0.00 0.00 176.35 175.46 1wfg n LEU 98 N 3.34 0.43 -4.59 -0.68 4.77 0.50 -4.66 117.00 116.11 1wfg n LEU 98 Ca 0.09 0.18 -0.49 0.00 -0.03 0.00 0.00 56.01 55.76 1wfg n LEU 98 Cb 0.43 0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1wfg n LEU 98 CO 0.58 0.09 1.64 0.00 -1.33 0.00 0.00 177.39 178.37 1wfg n GLN 99 N -2.62 1.66 0.00 3.23 6.02 -1.21 0.20 117.38 124.65 1wfg n GLN 99 Ca -0.10 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1wfg n GLN 99 Cb 0.75 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 29.40 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 5.33 2.81 3.65 1.08 0.00 0.49 -4.93 105.19 113.62 1wfg n GLY 100 Ca 0.31 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg n ALA 101 N 0.00 0.65 -1.71 4.61 0.00 0.13 -4.56 120.51 119.63 1wfg n ALA 101 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1wfg n ALA 101 Cb 0.00 -2.16 0.19 0.00 0.00 0.00 0.00 19.45 17.48 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 -1.19 1.90 0.19 0.00 -4.23 -1.26 -3.25 115.64 107.80 1wfg s THR 102 Ca 0.61 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.99 1wfg s THR 102 Cb -0.56 -2.87 0.10 0.00 1.34 0.00 0.00 72.50 70.51 1wfg s THR 102 CO 0.59 0.00 1.85 0.15 -0.54 0.00 0.00 174.62 176.67 1wfg h PHE 103 N -1.83 0.76 -0.34 3.99 3.04 -1.81 -0.52 116.94 120.23 1wfg h PHE 103 Ca -0.45 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.38 1wfg h PHE 103 Cb 1.26 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 1wfg h PHE 103 CO -1.24 0.48 -0.34 0.93 -2.02 0.00 0.00 178.31 176.12 1wfg h GLU 104 N 0.82 0.76 0.77 1.11 5.08 -1.93 -2.51 114.58 118.68 1wfg h GLU 104 Ca 0.22 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1wfg h GLU 104 Cb -0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wfg h GLU 104 CO -0.05 0.98 -0.40 0.93 -1.00 0.00 0.00 179.01 179.47 1wfg h GLU 105 N 0.64 -1.04 -0.65 2.33 4.39 -1.78 0.69 114.58 119.16 1wfg h GLU 105 Ca 0.07 0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.97 1wfg h GLU 105 Cb 0.87 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 29.64 1wfg h GLU 105 CO 0.08 -0.69 -0.13 0.28 -1.16 0.00 0.00 179.01 177.38 1wfg h VAL 106 N -1.08 0.36 0.14 3.13 2.07 -1.16 0.35 116.25 120.07 1wfg h VAL 106 Ca -0.11 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1wfg h VAL 106 Cb 0.84 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1wfg h VAL 106 CO 0.15 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 177.88 1wfg h TYR 107 N 0.02 -0.23 -0.71 1.57 5.03 -1.25 -2.28 116.97 119.12 1wfg h TYR 107 Ca 0.32 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.76 1wfg h TYR 107 Cb 0.50 0.08 -0.09 0.00 1.55 0.00 0.00 36.73 38.78 1wfg h TYR 107 CO -0.50 -0.14 0.27 -0.91 -1.32 0.00 0.00 178.16 175.55 1wfg h ASN 108 N -0.23 0.23 0.08 -2.11 2.35 0.22 -0.15 115.58 115.98 1wfg h ASN 108 Ca -0.01 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1wfg h ASN 108 Cb 0.19 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1wfg h ASN 108 CO 0.01 0.10 -0.42 0.40 -1.65 0.00 0.00 177.43 175.87 1wfg h ILE 109 N 0.42 0.00 -0.50 2.81 2.04 0.08 1.12 117.51 123.49 1wfg h ILE 109 Ca 0.39 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.39 1wfg h ILE 109 Cb 0.57 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1wfg h ILE 109 CO -0.39 0.00 0.50 0.40 0.00 0.00 0.00 178.15 178.66 1wfg h ILE 110 N -0.58 0.38 0.00 -0.67 2.04 -0.80 1.52 117.51 119.40 1wfg h ILE 110 Ca -0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1wfg h ILE 110 Cb 0.59 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1wfg h ILE 110 CO -0.23 0.00 -0.84 0.25 0.00 0.00 0.00 178.15 177.33 1wfg h LEU 111 N 0.00 0.00 -0.83 1.44 5.85 0.15 -3.21 115.31 118.71 1wfg h LEU 111 Ca 0.24 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 1wfg h LEU 111 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1wfg h LEU 111 CO -0.00 0.79 -0.52 -0.33 -0.34 0.00 0.00 178.44 178.03 1wfg h GLU 112 N 0.00 0.17 -0.88 1.25 5.08 1.04 -2.53 114.58 118.70 1wfg h GLU 112 Ca -0.02 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 1wfg h GLU 112 Cb 1.62 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.80 1wfg h GLU 112 CO 0.10 0.65 0.17 -1.13 -1.00 0.00 0.00 179.01 177.80 1wfg n SER 113 N -3.93 3.49 0.38 1.42 3.41 -0.59 -4.36 113.62 113.45 1wfg n SER 113 Ca -0.02 -2.68 -0.18 0.00 -0.26 0.00 0.00 58.87 55.73 1wfg n SER 113 Cb 0.55 -0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 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 1.38 -0.91 0.00 4.33 1.57 -1.52 -3.00 116.57 118.42 1wfg h LYS 114 Ca 0.17 0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1wfg h LYS 114 Cb 1.65 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1wfg h LYS 114 CO 0.43 -0.59 -0.44 -1.00 -0.57 0.00 0.00 179.45 177.27 1wfg h PRO 115 N -0.99 0.00 -5.37 3.15 0.13 -1.83 -3.43 132.00 123.65 1wfg h PRO 115 Ca -0.10 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.39 1wfg h PRO 115 Cb 0.74 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.94 1wfg h PRO 115 CO 0.16 0.44 -0.25 0.39 -0.23 0.00 0.00 178.00 178.51 1wfg n GLU 116 N -3.42 0.00 0.23 0.86 -0.58 -1.14 -4.81 120.64 111.79 1wfg n GLU 116 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 1wfg n GLU 116 Cb 0.60 -1.09 0.39 0.00 -0.57 0.00 0.00 31.44 30.78 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 1.66 0.00 -4.14 3.49 0.13 -1.89 -3.46 132.00 127.78 1wfg h PRO 117 Ca -0.34 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.63 1wfg h PRO 117 Cb 1.29 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 1wfg h PRO 117 CO 0.54 0.08 -0.36 1.14 -0.23 0.00 0.00 178.00 179.17 1wfg s GLN 118 N -3.43 1.41 -0.10 0.86 -2.07 -1.26 0.86 119.66 115.93 1wfg s GLN 118 Ca 0.03 -1.48 -0.04 0.00 -1.82 0.00 0.00 55.36 52.06 1wfg s GLN 118 Cb 0.08 0.37 0.05 0.00 -1.09 0.00 0.00 33.01 32.42 1wfg s GLN 118 CO 0.62 -0.54 0.21 0.08 -1.32 0.00 0.00 175.29 174.35 1wfg s VAL 119 N -4.01 -0.19 -0.25 3.63 1.01 -0.45 -4.97 120.40 115.16 1wfg s VAL 119 Ca 0.31 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1wfg s VAL 119 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1wfg s VAL 119 CO 0.12 0.10 0.03 -0.70 0.00 0.00 0.00 175.10 174.65 1wfg s GLU 120 N 1.79 3.39 0.28 2.72 2.12 -1.26 -0.22 118.70 127.51 1wfg s GLU 120 Ca -0.04 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.72 1wfg s GLU 120 Cb -0.11 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1wfg s GLU 120 CO -0.07 -0.27 0.26 -0.51 -0.54 0.00 0.00 175.26 174.13 1wfg s LEU 121 N 1.53 3.84 -0.15 2.70 1.02 0.63 0.25 118.68 128.51 1wfg s LEU 121 Ca 0.05 -0.26 -0.05 0.00 0.02 0.00 0.00 54.13 53.89 1wfg s LEU 121 Cb -0.15 -2.41 0.07 0.00 0.02 0.00 0.00 46.19 43.71 1wfg s LEU 121 CO 0.01 -0.15 0.27 -0.69 0.02 0.00 0.00 176.35 175.81 1wfg s VAL 122 N -2.16 -0.43 0.08 -1.59 1.01 -1.06 -1.27 120.40 114.98 1wfg s VAL 122 Ca 0.36 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.64 1wfg s VAL 122 Cb -0.08 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1wfg s VAL 122 CO 0.26 0.06 -0.25 0.68 0.00 0.00 0.00 175.10 175.86 1wfg s VAL 123 N 2.43 2.30 -0.18 2.92 -7.23 0.49 0.21 120.40 121.35 1wfg s VAL 123 Ca 0.02 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1wfg s VAL 123 Cb -0.13 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 1wfg s VAL 123 CO -0.10 0.24 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.26 1wfg s SER 124 N -1.63 3.83 0.27 4.85 0.15 -1.12 0.11 113.70 120.16 1wfg s SER 124 Ca 0.13 -0.45 0.09 0.00 0.70 0.00 0.00 55.95 56.42 1wfg s SER 124 Cb -0.10 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 1wfg s SER 124 CO 0.04 0.05 0.05 -0.13 1.20 0.00 0.00 173.24 174.45 1wfg s ARG 125 N 1.05 2.42 -0.37 5.44 0.52 0.53 -4.60 118.95 123.93 1wfg s ARG 125 Ca -0.01 -1.36 -0.09 0.00 -0.52 0.00 0.00 55.73 53.76 1wfg s ARG 125 Cb -0.15 -2.24 0.05 0.00 0.52 0.00 0.00 34.95 33.13 1wfg s ARG 125 CO -0.03 0.35 0.18 -1.54 0.02 0.00 0.00 175.30 174.27 1wfg s SER 126 N -3.72 5.53 1.01 0.23 1.04 -1.26 0.19 113.70 116.71 1wfg s SER 126 Ca 0.32 -1.19 -0.22 0.00 0.48 0.00 0.00 55.95 55.35 1wfg s SER 126 Cb -0.06 -1.95 -0.14 0.00 0.10 0.00 0.00 66.02 63.97 1wfg s SER 126 CO 0.21 -0.40 -1.00 0.61 0.98 0.00 0.00 173.24 173.64 1wfg n GLY 127 N 4.89 -3.62 3.72 7.32 0.00 -0.23 -4.84 105.19 112.44 1wfg n GLY 127 Ca -0.11 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1wfg n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfg s PRO 128 N -2.21 4.51 -0.29 1.61 0.04 -1.26 -5.01 135.00 132.38 1wfg s PRO 128 Ca 0.41 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 1wfg s PRO 128 Cb -0.05 -3.32 0.18 0.00 0.04 0.00 0.00 34.50 31.35 1wfg s PRO 128 CO 0.73 -0.10 1.12 0.45 0.04 0.00 0.00 177.00 179.24 1wfg s SER 129 N 0.52 -0.29 -0.15 6.66 0.15 -1.26 -5.08 113.70 114.25 1wfg s SER 129 Ca 0.54 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.60 1wfg s SER 129 Cb -0.29 1.09 0.02 0.00 -1.71 0.00 0.00 66.02 65.13 1wfg s SER 129 CO 0.32 -0.07 0.10 -1.20 1.20 0.00 0.00 173.24 173.59 1wfg n SER 130 N 3.34 -4.59 0.00 5.45 7.64 -1.26 -5.25 113.62 118.96 1wfg n SER 130 Ca -0.18 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wfg n SER 130 Cb 0.57 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1wfg n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64