#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg n SER 2 N 0.00 -6.63 -3.66 1.61 7.64 -1.26 -4.98 113.62 106.34 1wfg n SER 2 Ca 0.00 0.92 -0.07 0.00 1.01 0.00 0.00 58.87 60.73 1wfg n SER 2 Cb 0.00 -3.75 -0.08 0.00 -1.01 0.00 0.00 64.21 59.37 1wfg n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfg s SER 3 N -6.71 -0.54 0.00 6.43 0.15 -1.26 -4.99 113.70 106.78 1wfg s SER 3 Ca 0.00 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1wfg s SER 3 Cb 0.00 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 1wfg s SER 3 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1wfg n GLY 4 N 5.25 1.89 1.40 9.45 0.00 -1.26 -4.98 105.19 116.95 1wfg n GLY 4 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 3.82 -7.48 -3.61 1.61 7.64 -1.26 -5.08 113.62 109.25 1wfg n SER 5 Ca 0.00 1.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.72 1wfg n SER 5 Cb 0.00 -3.52 -0.07 0.00 -1.01 0.00 0.00 64.21 59.61 1wfg n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfg s SER 6 N -1.61 -0.53 -0.30 6.43 0.01 -1.26 -5.15 113.70 111.29 1wfg s SER 6 Ca 0.00 0.66 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 1wfg s SER 6 Cb 0.00 0.63 0.18 0.00 0.21 0.00 0.00 66.02 67.04 1wfg s SER 6 CO 0.00 -0.48 1.04 -0.83 0.41 0.00 0.00 173.24 173.37 1wfg s GLY 7 N -0.91 -0.42 0.28 3.44 0.00 -1.26 -5.18 107.32 103.28 1wfg s GLY 7 Ca -0.09 2.68 -0.06 0.00 0.00 0.00 0.00 44.72 47.25 1wfg s GLY 7 CO 0.07 3.83 0.42 0.30 0.00 0.00 0.00 173.10 177.71 1wfg s HIS 8 N 2.95 0.81 0.32 1.90 4.02 -1.26 -5.17 115.29 118.86 1wfg s HIS 8 Ca 0.02 -1.09 0.02 0.00 1.02 0.00 0.00 55.06 55.03 1wfg s HIS 8 Cb -0.10 -0.06 -0.03 0.00 -1.02 0.00 0.00 32.58 31.37 1wfg s HIS 8 CO -0.12 -1.00 0.50 0.45 1.02 0.00 0.00 174.74 175.58 1wfg s SER 9 N -3.14 6.25 0.57 1.40 0.15 -1.26 -5.08 113.70 112.59 1wfg s SER 9 Ca 0.29 0.29 -0.17 0.00 0.70 0.00 0.00 55.95 57.06 1wfg s SER 9 Cb 0.01 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1wfg s SER 9 CO 0.15 -0.26 1.06 -1.00 1.20 0.00 0.00 173.24 174.38 1wfg s HIS 10 N -2.22 2.95 -0.37 3.44 0.09 -1.26 -5.01 115.29 112.89 1wfg s HIS 10 Ca 0.39 1.53 -0.03 0.00 -0.00 0.00 0.00 55.06 56.95 1wfg s HIS 10 Cb -0.09 -3.05 0.22 0.00 -0.00 0.00 0.00 32.58 29.66 1wfg s HIS 10 CO 0.34 -1.11 1.06 0.43 -0.00 0.00 0.00 174.74 175.46 1wfg n SER 11 N -1.74 -1.81 -3.80 1.40 7.64 -1.26 -5.08 113.62 108.97 1wfg n SER 11 Ca 0.09 -1.53 -0.28 0.00 1.01 0.00 0.00 58.87 58.17 1wfg n SER 11 Cb 0.53 0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 64.56 1wfg n SER 11 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wfg n ASP 12 N 2.39 3.23 0.00 6.43 5.75 -1.26 -4.94 116.55 128.15 1wfg n ASP 12 Ca 0.10 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.62 1wfg n ASP 12 Cb 0.65 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wfg n LYS 13 N 1.72 0.00 -3.30 0.11 4.76 -1.26 -5.13 118.16 115.06 1wfg n LYS 13 Ca 0.22 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.31 1wfg n LYS 13 Cb 0.36 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.49 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 1.92 3.60 0.11 2.13 3.76 -1.26 -4.99 115.29 120.55 1wfg s HIS 14 Ca 0.00 1.12 -0.09 0.00 -0.15 0.00 0.00 55.06 55.94 1wfg s HIS 14 Cb 0.00 -2.42 -0.14 0.00 1.11 0.00 0.00 32.58 31.13 1wfg s HIS 14 CO 0.00 0.39 1.28 -1.00 -0.85 0.00 0.00 174.74 174.56 1wfg h PRO 15 N 3.42 0.60 -5.89 8.40 0.13 -1.93 -3.44 132.00 133.29 1wfg h PRO 15 Ca -0.48 -0.59 -0.66 0.00 -0.87 0.00 0.00 66.00 63.41 1wfg h PRO 15 Cb 1.19 0.15 -0.09 0.00 0.13 0.00 0.00 31.00 32.39 1wfg h PRO 15 CO 0.66 1.20 -0.54 0.14 -0.23 0.00 0.00 178.00 179.23 1wfg s VAL 16 N -3.44 5.01 -0.09 1.56 -7.23 -1.26 -2.21 120.40 112.75 1wfg s VAL 16 Ca -0.08 -0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1wfg s VAL 16 Cb 0.08 -3.27 0.05 0.00 0.56 0.00 0.00 36.38 33.80 1wfg s VAL 16 CO 0.89 0.41 0.18 0.42 -0.31 0.00 0.00 175.10 176.69 1wfg s THR 17 N -1.17 -0.23 -0.32 5.32 -4.23 0.30 -4.97 115.64 110.33 1wfg s THR 17 Ca 0.22 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1wfg s THR 17 Cb -0.12 -0.31 0.05 0.00 1.34 0.00 0.00 72.50 73.46 1wfg s THR 17 CO 0.12 0.13 0.05 0.26 -0.54 0.00 0.00 174.62 174.64 1wfg s TRP 18 N 2.04 3.28 0.04 3.99 0.52 -1.26 0.13 118.94 127.67 1wfg s TRP 18 Ca -0.00 -1.73 0.02 0.00 0.02 0.00 0.00 56.10 54.41 1wfg s TRP 18 Cb -0.12 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 1wfg s TRP 18 CO -0.06 -0.79 -0.08 -0.65 0.02 0.00 0.00 176.95 175.39 1wfg s GLN 19 N 1.31 0.54 0.61 4.98 1.11 0.12 -4.98 119.66 123.35 1wfg s GLN 19 Ca -0.03 -0.75 -0.14 0.00 0.01 0.00 0.00 55.36 54.45 1wfg s GLN 19 Cb -0.20 -0.32 -0.03 0.00 -1.01 0.00 0.00 33.01 31.45 1wfg s GLN 19 CO 0.00 0.06 1.05 -1.25 0.01 0.00 0.00 175.29 175.16 1wfg s PRO 20 N -1.53 3.27 0.11 2.91 0.04 -1.26 0.19 135.00 138.74 1wfg s PRO 20 Ca -0.09 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 1wfg s PRO 20 Cb -0.10 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1wfg s PRO 20 CO 0.00 -0.84 0.10 -1.13 0.04 0.00 0.00 177.00 175.17 1wfg n SER 21 N -2.29 -1.16 -0.17 6.66 3.41 -0.88 -4.63 113.62 114.57 1wfg n SER 21 Ca 0.08 -0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 58.11 1wfg n SER 21 Cb 0.53 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.50 0.00 4.33 6.56 -1.97 -3.26 116.57 122.73 1wfg h LYS 22 Ca -0.04 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1wfg h LYS 22 Cb 0.12 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1wfg h LYS 22 CO 0.02 0.33 0.00 -0.25 -2.06 0.00 0.00 179.45 177.49 1wfg n ASP 23 N -4.87 0.00 0.00 0.86 9.92 -1.26 -5.01 116.55 116.19 1wfg n ASP 23 Ca 0.04 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 1wfg n ASP 23 Cb 0.13 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 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 0.80 1.75 0.38 0.44 0.00 -1.23 -4.96 105.19 102.36 1wfg n GLY 24 Ca 0.00 -0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.14 1wfg n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfg h ASP 25 N 1.88 0.00 -2.24 1.61 3.32 -1.91 -3.41 116.42 115.67 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 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1wfg h ASP 25 CO 0.00 0.00 -0.46 -0.13 -1.72 0.00 0.00 179.24 176.93 1wfg s ARG 26 N -4.99 3.30 -0.22 3.56 1.81 -1.26 0.18 118.95 121.32 1wfg s ARG 26 Ca -0.05 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1wfg s ARG 26 Cb 0.19 -2.81 0.05 0.00 -0.45 0.00 0.00 34.95 31.94 1wfg s ARG 26 CO 0.72 0.43 -0.06 -1.17 -0.68 0.00 0.00 175.30 174.54 1wfg s LEU 27 N -3.85 2.37 -0.31 2.53 1.98 0.23 -2.07 118.68 119.57 1wfg s LEU 27 Ca 0.34 -1.05 -0.18 0.00 -2.89 0.00 0.00 54.13 50.35 1wfg s LEU 27 Cb -0.09 -1.15 -0.01 0.00 0.66 0.00 0.00 46.19 45.60 1wfg s LEU 27 CO 0.28 -0.21 0.53 -0.63 -1.89 0.00 0.00 176.35 174.42 1wfg s ILE 28 N 1.43 5.02 -0.08 6.68 -1.09 0.52 0.19 121.20 133.88 1wfg s ILE 28 Ca -0.04 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.02 1wfg s ILE 28 Cb -0.18 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1wfg s ILE 28 CO -0.07 -0.09 -0.14 -0.83 -1.23 0.00 0.00 174.94 172.59 1wfg s GLY 29 N 1.67 1.54 -0.18 6.18 0.00 0.24 0.16 107.32 116.91 1wfg s GLY 29 Ca 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1wfg s GLY 29 CO 0.12 -0.57 -0.09 -1.60 0.00 0.00 0.00 173.10 170.96 1wfg s ARG 30 N -0.37 1.83 0.24 2.90 3.52 0.34 0.15 118.95 127.56 1wfg s ARG 30 Ca 0.04 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1wfg s ARG 30 Cb -0.12 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1wfg s ARG 30 CO 0.02 -0.42 0.38 0.42 -0.81 0.00 0.00 175.30 174.89 1wfg s ILE 31 N 1.48 5.25 -0.01 4.11 1.09 0.66 0.11 121.20 133.89 1wfg s ILE 31 Ca -0.00 -0.83 -0.02 0.00 -1.10 0.00 0.00 60.65 58.70 1wfg s ILE 31 Cb -0.16 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1wfg s ILE 31 CO -0.08 -0.31 0.04 -0.22 -0.10 0.00 0.00 174.94 174.27 1wfg s LEU 32 N -3.86 1.85 0.01 2.97 1.98 -0.94 0.11 118.68 120.80 1wfg s LEU 32 Ca 0.35 0.05 0.03 0.00 -2.89 0.00 0.00 54.13 51.67 1wfg s LEU 32 Cb -0.10 0.15 -0.01 0.00 0.66 0.00 0.00 46.19 46.90 1wfg s LEU 32 CO 0.30 -0.04 -0.08 -0.76 -1.89 0.00 0.00 176.35 173.88 1wfg s LEU 33 N -0.08 2.07 0.15 -0.68 1.43 0.38 -4.59 118.68 117.36 1wfg s LEU 33 Ca -0.01 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1wfg s LEU 33 Cb -0.01 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1wfg s LEU 33 CO 0.00 0.04 -0.20 0.21 0.23 0.00 0.00 176.35 176.63 1wfg s ASN 34 N -0.53 2.75 -0.02 2.29 3.84 -1.26 0.21 114.94 122.22 1wfg s ASN 34 Ca 0.01 -0.80 -0.00 0.00 0.21 0.00 0.00 52.86 52.27 1wfg s ASN 34 Cb -0.05 -0.17 -0.01 0.00 -0.55 0.00 0.00 41.25 40.48 1wfg s ASN 34 CO 0.00 0.02 -0.02 0.29 -2.79 0.00 0.00 177.10 174.60 1wfg n LYS 35 N 0.56 0.05 -1.54 0.43 5.02 0.27 -4.94 118.16 118.01 1wfg n LYS 35 Ca -0.15 0.01 -0.64 0.00 -2.02 0.00 0.00 58.31 55.51 1wfg n LYS 35 Cb 0.56 -0.96 -0.11 0.00 -0.02 0.00 0.00 35.03 34.50 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 -2.65 0.07 -0.49 1.97 1.74 -1.22 -4.55 116.66 111.54 1wfg n ARG 36 Ca -0.03 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 1wfg n ARG 36 Cb 0.53 -1.55 0.21 0.00 -1.02 0.00 0.00 32.46 30.64 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 5.64 -1.54 -0.21 0.55 4.77 0.95 -4.55 117.00 122.60 1wfg n LEU 37 Ca 0.41 -0.39 -0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wfg n LEU 37 Cb -0.04 -0.97 0.07 0.00 -2.33 0.00 0.00 43.42 40.15 1wfg n LEU 37 CO 0.88 -3.55 0.76 0.50 -1.33 0.00 0.00 177.39 174.66 1wfg h LYS 38 N -2.75 0.02 -0.65 3.23 3.11 -1.89 0.37 116.57 118.01 1wfg h LYS 38 Ca -0.45 -0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.50 1wfg h LYS 38 Cb 1.19 -0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 32.34 1wfg h LYS 38 CO 0.31 0.02 0.23 -0.44 -2.81 0.00 0.00 179.45 176.76 1wfg h ASP 39 N 0.02 0.20 0.00 4.20 3.32 -2.00 -3.45 116.42 118.71 1wfg h ASP 39 Ca 0.31 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1wfg h ASP 39 Cb 0.48 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1wfg h ASP 39 CO -0.62 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 177.61 1wfg n GLY 40 N -1.31 0.96 3.00 2.75 0.00 0.13 -5.15 105.19 105.57 1wfg n GLY 40 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1wfg n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 41 N -0.95 -0.19 0.11 1.61 1.04 -1.24 -4.79 113.70 109.28 1wfg s SER 41 Ca 0.00 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.53 1wfg s SER 41 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 1wfg s SER 41 CO 0.00 -0.14 1.16 -0.69 0.98 0.00 0.00 173.24 174.55 1wfg s VAL 42 N 1.01 3.96 0.94 5.02 1.01 -1.26 -0.04 120.40 131.04 1wfg s VAL 42 Ca -0.08 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.28 1wfg s VAL 42 Cb -0.09 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.48 1wfg s VAL 42 CO -0.06 0.17 1.15 -2.16 0.00 0.00 0.00 175.10 174.20 1wfg s PRO 43 N 0.51 0.89 0.49 2.72 0.04 -1.26 -4.88 135.00 133.50 1wfg s PRO 43 Ca 0.55 0.19 0.34 0.00 0.04 0.00 0.00 61.00 62.13 1wfg s PRO 43 Cb -0.30 -1.82 1.47 0.00 0.04 0.00 0.00 34.50 33.90 1wfg s PRO 43 CO 0.32 -2.35 1.69 0.00 0.04 0.00 0.00 177.00 176.70 1wfg h ARG 44 N -1.60 0.10 -0.48 4.56 2.47 -2.01 -3.35 114.38 114.06 1wfg h ARG 44 Ca -0.49 -0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.40 1wfg h ARG 44 Cb 1.32 -0.02 -0.20 0.00 -1.65 0.00 0.00 29.97 29.42 1wfg h ARG 44 CO 0.57 0.06 -0.06 0.16 0.56 0.00 0.00 179.97 181.26 1wfg s ASP 45 N -4.70 -0.74 -0.64 7.04 -4.77 -1.26 -5.03 116.67 106.57 1wfg s ASP 45 Ca -0.07 0.21 -0.02 0.00 -3.30 0.00 0.00 52.55 49.38 1wfg s ASP 45 Cb 0.26 1.52 0.36 0.00 -1.09 0.00 0.00 42.92 43.97 1wfg s ASP 45 CO 0.83 -0.14 2.10 -1.20 0.70 0.00 0.00 175.17 177.46 1wfg n SER 46 N 5.30 7.38 -1.34 2.11 7.64 -1.26 -4.83 113.62 128.62 1wfg n SER 46 Ca 0.03 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.27 1wfg n SER 46 Cb 0.55 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1wfg n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 47 N -0.48 -2.07 0.25 0.23 0.00 -1.26 -4.73 105.19 97.13 1wfg n GLY 47 Ca 0.55 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 1wfg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg h ALA 48 N 0.00 -0.11 -0.26 4.61 0.00 -1.88 0.22 119.26 121.83 1wfg h ALA 48 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wfg h ALA 48 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wfg h ALA 48 CO 0.00 -0.64 0.00 -1.33 0.00 0.00 0.00 179.25 177.28 1wfg n MET 49 N -5.35 1.91 0.00 0.00 2.81 -1.26 -4.78 117.12 110.45 1wfg n MET 49 Ca -0.02 -1.07 0.00 0.00 -1.81 0.00 0.00 57.70 54.81 1wfg n MET 49 Cb 0.26 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.30 0.00 0.00 4.03 7.99 0.76 -2.42 117.00 127.66 1wfg n LEU 50 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 1wfg n LEU 50 Cb 0.35 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1wfg n LEU 50 CO 0.08 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.57 1wfg n GLY 51 N 0.00 0.00 3.40 -0.72 0.00 -1.26 -4.02 105.19 102.59 1wfg n GLY 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.24 -0.13 0.99 0.05 -1.02 0.20 118.68 118.54 1wfg s LEU 52 Ca 0.00 0.05 -0.04 0.00 0.05 0.00 0.00 54.13 54.19 1wfg s LEU 52 Cb 0.00 2.30 -0.03 0.00 -2.05 0.00 0.00 46.19 46.41 1wfg s LEU 52 CO 0.00 -0.84 0.02 -0.75 -0.55 0.00 0.00 176.35 174.23 1wfg s LYS 53 N -3.15 3.44 0.07 1.48 2.36 -0.13 -4.90 119.74 118.90 1wfg s LYS 53 Ca -0.02 -0.39 0.08 0.00 -2.55 0.00 0.00 55.97 53.09 1wfg s LYS 53 Cb -0.00 -2.97 -0.03 0.00 -1.05 0.00 0.00 37.83 33.78 1wfg s LYS 53 CO -0.07 0.50 -0.21 0.08 1.55 0.00 0.00 175.35 177.19 1wfg s VAL 54 N -0.30 1.72 -0.16 4.02 1.01 -1.26 -1.57 120.40 123.86 1wfg s VAL 54 Ca 0.07 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 1wfg s VAL 54 Cb -0.12 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1wfg s VAL 54 CO 0.02 0.11 0.03 0.54 0.00 0.00 0.00 175.10 175.80 1wfg s VAL 55 N -0.94 0.39 0.16 2.92 0.11 -0.31 -4.94 120.40 117.78 1wfg s VAL 55 Ca 0.07 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1wfg s VAL 55 Cb -0.09 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1wfg s VAL 55 CO 0.03 -0.09 0.19 0.61 -3.33 0.00 0.00 175.10 172.50 1wfg n GLY 56 N 5.11 2.22 2.81 6.54 0.00 -1.26 -0.82 105.19 119.79 1wfg n GLY 56 Ca -0.08 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.74 1wfg n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfg n GLY 57 N 3.11 0.31 3.67 -0.02 0.00 -0.99 -2.92 105.19 108.35 1wfg n GLY 57 Ca 0.03 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1wfg n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfg s LYS 58 N -1.98 4.25 -0.32 1.61 2.47 -1.23 -4.64 119.74 119.89 1wfg s LYS 58 Ca 0.00 1.85 -0.29 0.00 -1.56 0.00 0.00 55.97 55.97 1wfg s LYS 58 Cb 0.00 -3.74 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 1wfg s LYS 58 CO 0.00 -0.67 1.29 1.41 0.16 0.00 0.00 175.35 177.54 1wfg s MET 59 N 3.20 3.88 0.00 4.03 1.75 -1.26 -3.18 119.30 127.72 1wfg s MET 59 Ca 0.61 1.17 0.00 0.00 -1.25 0.00 0.00 55.69 56.22 1wfg s MET 59 Cb -0.27 -3.89 0.00 0.00 2.84 0.00 0.00 34.83 33.52 1wfg s MET 59 CO 0.21 -1.16 0.00 0.25 -0.65 0.00 0.00 175.02 173.67 1wfg n THR 60 N 6.30 0.00 0.18 10.11 -2.24 0.14 -4.94 114.28 123.84 1wfg n THR 60 Ca 0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 1wfg n THR 60 Cb 0.47 -1.76 0.11 0.00 -2.10 0.00 0.00 70.33 67.05 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 -0.44 -0.78 4.81 -1.95 -3.12 114.58 113.11 1wfg h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wfg h GLU 61 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1wfg h GLU 61 CO 0.00 0.06 0.00 0.45 -0.73 0.00 0.00 179.01 178.79 1wfg n SER 62 N -3.01 2.50 -0.82 1.04 2.88 -1.26 -4.88 113.62 110.07 1wfg n SER 62 Ca 0.02 -1.97 -0.11 0.00 -1.33 0.00 0.00 58.87 55.49 1wfg n SER 62 Cb 0.57 -0.29 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 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 1.26 1.19 3.97 0.46 0.00 -1.18 -5.00 105.19 105.89 1wfg n GLY 63 Ca 0.16 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.82 3.01 -0.06 1.61 0.52 -1.26 -4.80 118.95 115.15 1wfg s ARG 64 Ca 0.00 -1.09 0.04 0.00 -0.52 0.00 0.00 55.73 54.16 1wfg s ARG 64 Cb 0.00 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1wfg s ARG 64 CO 0.00 0.02 -0.17 -0.51 0.02 0.00 0.00 175.30 174.66 1wfg s LEU 65 N -4.17 2.54 0.09 2.53 1.43 -1.25 -0.68 118.68 119.17 1wfg s LEU 65 Ca 0.46 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 1wfg s LEU 65 Cb -0.09 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1wfg s LEU 65 CO 0.31 0.30 0.33 0.00 0.23 0.00 0.00 176.35 177.52 1wfg s ALA 67 N -3.43 3.51 0.06 0.00 0.00 -1.20 -3.57 121.76 117.14 1wfg s ALA 67 Ca 0.01 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 51.94 1wfg s ALA 67 Cb 0.02 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 1wfg s ALA 67 CO -0.09 0.14 -0.23 -0.06 0.00 0.00 0.00 175.76 175.51 1wfg s PHE 68 N 0.06 2.04 -0.19 0.00 0.08 -0.00 -0.04 117.98 119.94 1wfg s PHE 68 Ca 0.28 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.68 1wfg s PHE 68 Cb -0.16 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 1wfg s PHE 68 CO 0.13 0.15 0.83 0.42 -0.10 0.00 0.00 175.22 176.65 1wfg s ILE 69 N -0.87 4.87 -0.18 0.64 1.01 -1.07 -1.16 121.20 124.43 1wfg s ILE 69 Ca 0.10 1.61 -0.15 0.00 0.00 0.00 0.00 60.65 62.21 1wfg s ILE 69 Cb -0.09 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 1wfg s ILE 69 CO 0.03 -0.01 0.21 0.35 0.00 0.00 0.00 174.94 175.52 1wfg n THR 70 N 4.91 1.63 -3.77 2.92 -2.24 -0.61 -1.27 114.28 115.85 1wfg n THR 70 Ca 0.05 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1wfg n THR 70 Cb 0.48 -1.89 -0.06 0.00 -2.10 0.00 0.00 70.33 66.76 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 -2.45 0.99 -0.09 -0.78 2.20 -1.25 -4.68 119.74 113.68 1wfg s LYS 71 Ca -0.27 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.44 1wfg s LYS 71 Cb 0.07 0.41 0.04 0.00 -1.51 0.00 0.00 37.83 36.83 1wfg s LYS 71 CO 0.65 -0.36 0.05 0.08 -0.36 0.00 0.00 175.35 175.41 1wfg s VAL 72 N -3.85 0.08 0.36 4.02 1.01 -1.26 -0.96 120.40 119.81 1wfg s VAL 72 Ca 0.05 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 1wfg s VAL 72 Cb 0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 36.38 35.89 1wfg s VAL 72 CO -0.10 0.09 1.20 1.17 0.00 0.00 0.00 175.10 177.45 1wfg n LYS 73 N 5.23 1.84 -3.01 2.72 3.00 0.53 -4.90 118.16 123.57 1wfg n LYS 73 Ca -0.05 0.65 -0.44 0.00 -0.00 0.00 0.00 58.31 58.47 1wfg n LYS 73 Cb 0.50 -2.22 -0.05 0.00 0.00 0.00 0.00 35.03 33.26 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 -1.91 3.14 0.00 1.64 2.36 -1.26 -3.95 119.74 119.75 1wfg s LYS 74 Ca 0.58 -0.86 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1wfg s LYS 74 Cb -0.58 -4.16 0.00 0.00 -1.05 0.00 0.00 37.83 32.04 1wfg s LYS 74 CO 0.60 -1.50 0.00 0.41 1.55 0.00 0.00 175.35 176.41 1wfg n GLY 75 N 5.23 0.80 3.28 5.54 0.00 -1.26 -5.09 105.19 113.69 1wfg n GLY 75 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.45 1.07 0.00 1.61 0.01 -1.25 -4.90 113.70 108.79 1wfg s SER 76 Ca 0.00 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.76 1wfg s SER 76 Cb 0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1wfg s SER 76 CO 0.00 -0.87 0.97 0.18 0.41 0.00 0.00 173.24 173.93 1wfg n LEU 77 N -0.47 0.00 -3.30 2.44 7.99 -1.26 0.21 117.00 122.61 1wfg n LEU 77 Ca 0.02 0.97 -0.26 0.00 -0.01 0.00 0.00 56.01 56.72 1wfg n LEU 77 Cb 0.65 -0.47 -0.03 0.00 -0.11 0.00 0.00 43.42 43.46 1wfg n LEU 77 CO 0.34 -0.47 2.05 0.00 -1.51 0.00 0.00 177.39 177.81 1wfg n ALA 78 N -2.73 3.57 0.00 -1.18 0.00 -1.26 -1.27 120.51 117.64 1wfg n ALA 78 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1wfg n ALA 78 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.30 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 5.53 0.00 0.13 0.00 2.03 -0.63 -4.18 116.55 119.42 1wfg n ASP 79 Ca 0.40 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.71 1wfg n ASP 79 Cb 0.21 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.25 0.00 5.18 1.35 0.29 -2.18 112.91 118.79 1wfg h THR 80 Ca 0.00 -2.35 -0.02 0.00 -0.55 0.00 0.00 66.41 63.49 1wfg h THR 80 Cb 0.00 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1wfg h THR 80 CO 0.00 0.62 -1.08 1.33 -0.25 0.00 0.00 175.52 176.14 1wfg n VAL 81 N -3.48 0.08 0.03 6.82 0.24 -0.40 -4.78 118.33 116.85 1wfg n VAL 81 Ca 0.00 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.34 62.07 1wfg n VAL 81 Cb 0.70 -0.60 -0.14 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.10 0.30 0.00 7.63 0.00 -1.41 -3.43 103.07 106.26 1wfg h GLY 82 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1wfg h GLY 82 CO -0.01 0.68 0.00 1.42 0.00 0.00 0.00 176.54 178.64 1wfg n HIS 83 N -4.15 0.00 -0.80 5.60 -0.00 -0.82 -4.72 115.22 110.33 1wfg n HIS 83 Ca -0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.24 1wfg n HIS 83 Cb 0.80 -1.03 0.11 0.00 -0.00 0.00 0.00 29.99 29.87 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 0.00 -2.54 -3.77 2.41 4.77 -1.26 -4.84 117.00 111.77 1wfg n LEU 84 Ca 0.00 -0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 1wfg n LEU 84 Cb 0.25 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1wfg n LEU 84 CO 0.00 -2.81 0.01 -0.13 -1.33 0.00 0.00 177.39 173.13 1wfg s ARG 85 N -2.81 0.76 -0.48 3.23 0.52 -1.26 -4.78 118.95 114.14 1wfg s ARG 85 Ca 0.45 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 1wfg s ARG 85 Cb -0.01 0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.79 1wfg s ARG 85 CO 0.62 -0.23 1.45 -1.25 0.02 0.00 0.00 175.30 175.90 1wfg s PRO 86 N -2.26 3.41 0.00 3.54 0.04 -1.26 -3.16 135.00 135.31 1wfg s PRO 86 Ca -0.07 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1wfg s PRO 86 Cb -0.02 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1wfg s PRO 86 CO -0.02 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.66 1wfg n GLY 87 N 5.20 0.93 3.07 0.56 0.00 -0.40 -4.93 105.19 109.62 1wfg n GLY 87 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.41 -3.72 1.61 9.92 -1.19 -4.76 116.55 116.00 1wfg n ASP 88 Ca 0.00 -1.03 -0.27 0.00 -0.53 0.00 0.00 54.79 52.95 1wfg n ASP 88 Cb 0.00 -0.90 -0.17 0.00 -0.64 0.00 0.00 41.12 39.42 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1wfg s GLU 89 N -5.15 0.58 -0.09 -1.24 2.12 -1.26 -2.60 118.70 111.07 1wfg s GLU 89 Ca 0.63 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1wfg s GLU 89 Cb -0.07 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 1wfg s GLU 89 CO 0.49 -0.64 1.22 0.08 -0.54 0.00 0.00 175.26 175.87 1wfg s VAL 90 N 1.89 4.26 -0.16 3.70 1.01 0.95 -2.90 120.40 129.15 1wfg s VAL 90 Ca -0.01 1.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 1wfg s VAL 90 Cb -0.17 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1wfg s VAL 90 CO -0.08 -0.04 -0.26 0.18 0.00 0.00 0.00 175.10 174.90 1wfg n LEU 91 N 5.59 1.87 -4.55 3.92 4.77 0.42 -3.20 117.00 125.82 1wfg n LEU 91 Ca 0.12 0.48 -0.30 0.00 -0.03 0.00 0.00 56.01 56.28 1wfg n LEU 91 Cb 0.46 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1wfg n LEU 91 CO 0.55 -0.36 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.20 1wfg s GLU 92 N -2.57 2.11 -0.35 3.23 2.02 -1.26 0.20 118.70 122.08 1wfg s GLU 92 Ca -0.22 -1.01 -0.00 0.00 0.02 0.00 0.00 54.97 53.75 1wfg s GLU 92 Cb 0.03 -2.28 0.12 0.00 0.10 0.00 0.00 34.13 32.10 1wfg s GLU 92 CO 0.33 0.52 0.18 -0.46 0.02 0.00 0.00 175.26 175.84 1wfg s TRP 93 N -1.15 1.12 -0.47 1.61 -0.11 0.38 -1.86 118.94 118.47 1wfg s TRP 93 Ca 0.20 -1.68 0.00 0.00 1.22 0.00 0.00 56.10 55.84 1wfg s TRP 93 Cb -0.11 -1.29 0.00 0.00 -1.50 0.00 0.00 33.47 30.57 1wfg s TRP 93 CO 0.11 -0.83 0.00 -1.71 -4.62 0.00 0.00 176.95 169.91 1wfg n ASN 94 N 4.32 -3.76 0.00 5.86 2.85 0.55 -2.27 115.26 122.82 1wfg n ASN 94 Ca 0.05 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1wfg n ASN 94 Cb 0.38 -1.65 0.00 0.00 1.24 0.00 0.00 39.78 39.76 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wfg n GLY 95 N -2.15 0.69 3.60 8.20 0.00 -1.26 -4.85 105.19 109.43 1wfg n GLY 95 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.68 3.79 0.20 1.61 1.81 -0.96 -5.00 118.95 119.71 1wfg s ARG 96 Ca 0.00 0.51 -0.31 0.00 -1.72 0.00 0.00 55.73 54.21 1wfg s ARG 96 Cb 0.00 -3.82 -0.09 0.00 -0.45 0.00 0.00 34.95 30.58 1wfg s ARG 96 CO 0.00 -0.99 1.43 -1.17 -0.68 0.00 0.00 175.30 173.89 1wfg s LEU 97 N 3.52 4.39 -0.04 2.53 2.96 -1.26 -0.47 118.68 130.30 1wfg s LEU 97 Ca 0.38 2.54 0.21 0.00 -0.22 0.00 0.00 54.13 57.03 1wfg s LEU 97 Cb -0.12 -3.61 -0.32 0.00 0.50 0.00 0.00 46.19 42.65 1wfg s LEU 97 CO 0.20 -0.68 0.42 0.18 -1.32 0.00 0.00 176.35 175.15 1wfg n LEU 98 N 3.05 0.00 -4.64 -0.68 4.77 0.55 -4.70 117.00 115.34 1wfg n LEU 98 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1wfg n LEU 98 Cb 0.41 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1wfg n LEU 98 CO 0.60 0.05 1.68 -1.10 -1.33 0.00 0.00 177.39 177.29 1wfg s GLN 99 N -3.37 3.84 0.00 3.23 -0.21 -1.24 -1.03 119.66 120.89 1wfg s GLN 99 Ca -0.08 2.46 0.00 0.00 0.02 0.00 0.00 55.36 57.76 1wfg s GLN 99 Cb 0.13 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.91 1wfg s GLN 99 CO 0.87 -1.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1wfg n GLY 100 N 4.91 2.81 3.76 3.09 0.00 0.50 -4.93 105.19 115.34 1wfg n GLY 100 Ca 0.23 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg s ALA 101 N -1.85 3.10 1.01 4.61 0.00 -0.19 -4.64 121.76 123.79 1wfg s ALA 101 Ca 0.00 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 1wfg s ALA 101 Cb 0.00 -3.55 0.20 0.00 0.00 0.00 0.00 23.12 19.77 1wfg s ALA 101 CO 0.00 -1.16 1.22 0.95 0.00 0.00 0.00 175.76 176.77 1wfg s THR 102 N -1.26 1.89 0.13 0.00 -4.23 -1.26 -2.33 115.64 108.57 1wfg s THR 102 Ca 0.64 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.96 1wfg s THR 102 Cb -0.41 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1wfg s THR 102 CO 0.51 0.00 1.76 0.15 -0.54 0.00 0.00 174.62 176.50 1wfg h PHE 103 N -1.84 0.20 -0.68 3.99 3.57 -1.79 0.15 116.94 120.54 1wfg h PHE 103 Ca -0.46 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1wfg h PHE 103 Cb 1.28 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1wfg h PHE 103 CO -1.04 0.11 0.32 0.93 -2.23 0.00 0.00 178.31 176.40 1wfg h GLU 104 N 0.23 0.97 0.54 1.11 4.39 -1.93 -0.53 114.58 119.37 1wfg h GLU 104 Ca 0.10 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1wfg h GLU 104 Cb 0.04 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1wfg h GLU 104 CO -0.08 0.77 -0.26 0.93 -1.16 0.00 0.00 179.01 179.22 1wfg h GLU 105 N 0.94 -0.70 -0.97 2.33 5.08 -1.80 0.66 114.58 120.12 1wfg h GLU 105 Ca 0.23 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.78 1wfg h GLU 105 Cb 0.12 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1wfg h GLU 105 CO -0.03 -0.46 0.59 0.28 -1.00 0.00 0.00 179.01 178.39 1wfg h VAL 106 N -0.75 0.85 0.28 3.13 2.07 -0.59 -1.83 116.25 119.41 1wfg h VAL 106 Ca -0.07 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1wfg h VAL 106 Cb 0.57 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1wfg h VAL 106 CO 0.12 0.16 -0.14 0.22 0.02 0.00 0.00 177.57 177.96 1wfg h TYR 107 N 0.88 -0.35 -0.98 1.57 5.03 -0.63 -2.98 116.97 119.50 1wfg h TYR 107 Ca 0.51 -0.01 0.34 0.00 2.58 0.00 0.00 58.73 62.15 1wfg h TYR 107 Cb 0.60 0.12 -0.17 0.00 1.55 0.00 0.00 36.73 38.83 1wfg h TYR 107 CO -0.02 -0.02 0.44 -0.91 -1.32 0.00 0.00 178.16 176.33 1wfg h ASN 108 N -0.72 0.23 0.14 -2.11 2.35 0.10 0.11 115.58 115.68 1wfg h ASN 108 Ca -0.04 0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1wfg h ASN 108 Cb 0.49 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1wfg h ASN 108 CO 0.06 -0.29 -0.13 0.40 -1.65 0.00 0.00 177.43 175.82 1wfg h ILE 109 N 0.14 0.00 -1.12 2.81 2.04 -1.21 0.95 117.51 121.12 1wfg h ILE 109 Ca 0.74 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.92 1wfg h ILE 109 Cb 1.77 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1wfg h ILE 109 CO -0.72 0.00 0.95 0.40 0.00 0.00 0.00 178.15 178.77 1wfg h ILE 110 N -0.27 0.24 0.17 -0.67 2.04 -0.79 0.28 117.51 118.52 1wfg h ILE 110 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1wfg h ILE 110 Cb 0.23 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1wfg h ILE 110 CO -0.01 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 177.98 1wfg h LEU 111 N 0.00 -0.20 -1.62 1.44 3.38 0.64 -3.20 115.31 115.75 1wfg h LEU 111 Ca 0.53 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.55 1wfg h LEU 111 Cb 2.42 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 43.21 1wfg h LEU 111 CO -0.01 0.10 0.51 -0.33 0.09 0.00 0.00 178.44 178.81 1wfg h GLU 112 N -0.71 0.00 -0.84 1.13 5.08 0.32 1.56 114.58 121.12 1wfg h GLU 112 Ca -0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1wfg h GLU 112 Cb 0.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.31 1wfg h GLU 112 CO 0.04 0.00 0.25 0.43 -1.00 0.00 0.00 179.01 178.73 1wfg n SER 113 N -3.02 4.10 -0.02 1.42 7.64 0.76 -4.29 113.62 120.22 1wfg n SER 113 Ca 0.02 -2.97 -0.13 0.00 1.01 0.00 0.00 58.87 56.80 1wfg n SER 113 Cb 0.59 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.91 -0.04 0.00 1.43 1.57 0.22 -3.26 116.57 118.40 1wfg h LYS 114 Ca 0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1wfg h LYS 114 Cb 2.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.34 1wfg h LYS 114 CO 0.61 0.58 -0.38 -1.00 -0.57 0.00 0.00 179.45 178.69 1wfg h PRO 115 N -0.71 0.00 -6.04 3.15 0.13 -1.78 -3.46 132.00 123.28 1wfg h PRO 115 Ca -0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.47 1wfg h PRO 115 Cb 0.64 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.89 1wfg h PRO 115 CO 0.01 0.38 -0.58 0.39 -0.23 0.00 0.00 178.00 177.97 1wfg n GLU 116 N -3.38 0.11 0.10 0.86 -0.58 -1.23 -4.86 120.64 111.66 1wfg n GLU 116 Ca 0.01 0.04 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 1wfg n GLU 116 Cb 0.57 -1.07 0.05 0.00 -0.57 0.00 0.00 31.44 30.41 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 0.89 0.11 -4.45 3.49 0.13 -1.89 -3.44 132.00 126.84 1wfg h PRO 117 Ca -0.31 -0.11 -0.22 0.00 -0.87 0.00 0.00 66.00 64.49 1wfg h PRO 117 Cb 1.43 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.45 1wfg h PRO 117 CO 0.55 0.83 -0.53 1.14 -0.23 0.00 0.00 178.00 179.76 1wfg s GLN 118 N -3.33 1.29 -0.09 0.86 -2.07 -1.26 0.96 119.66 116.03 1wfg s GLN 118 Ca -0.02 -1.59 -0.04 0.00 -1.82 0.00 0.00 55.36 51.90 1wfg s GLN 118 Cb 0.11 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 32.39 1wfg s GLN 118 CO 0.80 -0.45 0.18 0.08 -1.32 0.00 0.00 175.29 174.58 1wfg s VAL 119 N -4.10 -0.23 -0.42 3.63 1.01 0.56 -4.93 120.40 115.92 1wfg s VAL 119 Ca 0.36 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1wfg s VAL 119 Cb 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 36.19 1wfg s VAL 119 CO 0.12 0.13 0.28 -0.70 0.00 0.00 0.00 175.10 174.93 1wfg s GLU 120 N 2.04 2.75 0.29 2.72 2.12 -1.26 0.14 118.70 127.50 1wfg s GLU 120 Ca -0.00 -1.35 0.04 0.00 0.36 0.00 0.00 54.97 54.03 1wfg s GLU 120 Cb -0.12 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.39 1wfg s GLU 120 CO -0.06 -0.92 0.43 -0.51 -0.54 0.00 0.00 175.26 173.66 1wfg s LEU 121 N 1.51 4.16 -0.08 2.70 1.02 0.30 0.21 118.68 128.50 1wfg s LEU 121 Ca 0.03 0.08 -0.07 0.00 0.02 0.00 0.00 54.13 54.19 1wfg s LEU 121 Cb -0.22 -2.92 0.02 0.00 0.02 0.00 0.00 46.19 43.08 1wfg s LEU 121 CO 0.04 -0.22 0.21 0.68 0.02 0.00 0.00 176.35 177.08 1wfg s VAL 122 N -2.10 -0.00 0.01 -1.59 -7.23 -0.77 0.24 120.40 108.95 1wfg s VAL 122 Ca 0.38 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.58 1wfg s VAL 122 Cb -0.09 -0.30 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 1wfg s VAL 122 CO 0.31 0.00 -0.08 0.68 -0.31 0.00 0.00 175.10 175.70 1wfg s VAL 123 N 0.13 0.61 -0.20 1.32 -7.23 0.40 -0.43 120.40 114.99 1wfg s VAL 123 Ca -0.00 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.57 1wfg s VAL 123 Cb -0.02 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1wfg s VAL 123 CO 0.00 0.03 0.04 -0.55 -0.31 0.00 0.00 175.10 174.31 1wfg s SER 124 N -0.57 5.19 0.32 4.85 0.15 -1.14 0.80 113.70 123.29 1wfg s SER 124 Ca -0.00 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.64 1wfg s SER 124 Cb -0.05 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1wfg s SER 124 CO 0.00 0.09 0.08 -0.13 1.20 0.00 0.00 173.24 174.48 1wfg s ARG 125 N 0.88 2.33 -0.36 5.44 0.52 0.50 -4.52 118.95 123.75 1wfg s ARG 125 Ca 0.02 -1.52 -0.02 0.00 -0.52 0.00 0.00 55.73 53.69 1wfg s ARG 125 Cb -0.14 -2.15 0.08 0.00 0.52 0.00 0.00 34.95 33.26 1wfg s ARG 125 CO 0.02 0.20 0.11 -1.54 0.02 0.00 0.00 175.30 174.11 1wfg s SER 126 N -3.78 5.08 0.62 0.23 1.04 -1.26 0.77 113.70 116.40 1wfg s SER 126 Ca 0.35 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1wfg s SER 126 Cb -0.04 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1wfg s SER 126 CO 0.21 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wfg n GLY 127 N 4.59 -1.27 3.63 7.32 0.00 0.48 -4.91 105.19 115.03 1wfg n GLY 127 Ca -0.07 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1wfg n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfg s PRO 128 N -1.86 3.87 0.18 1.61 0.04 -1.26 -4.82 135.00 132.75 1wfg s PRO 128 Ca 0.00 1.27 0.11 0.00 0.04 0.00 0.00 61.00 62.42 1wfg s PRO 128 Cb 0.00 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 1wfg s PRO 128 CO 0.00 -1.18 -0.23 -1.54 0.04 0.00 0.00 177.00 174.08 1wfg s SER 129 N 3.08 3.26 0.55 6.66 1.04 -1.26 -4.65 113.70 122.38 1wfg s SER 129 Ca 0.59 -0.84 -0.21 0.00 0.48 0.00 0.00 55.95 55.96 1wfg s SER 129 Cb -0.17 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.67 1wfg s SER 129 CO 0.25 0.10 1.29 -0.24 0.98 0.00 0.00 173.24 175.61 1wfg n SER 130 N 0.38 2.33 0.00 7.02 2.88 -1.26 -5.17 113.62 119.81 1wfg n SER 130 Ca -0.14 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1wfg n SER 130 Cb 0.56 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1wfg n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42