#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg n SER 2 N 0.00 0.00 0.34 1.61 7.64 -1.26 -3.97 113.62 117.98 1wfg n SER 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1wfg n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1wfg n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfg h SER 3 N 0.00 -0.76 0.00 6.43 0.02 -2.04 -3.48 113.55 113.73 1wfg h SER 3 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wfg h SER 3 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1wfg h SER 3 CO 0.00 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 1wfg n GLY 4 N -0.75 4.63 2.67 -3.77 0.00 -1.26 -5.09 105.19 101.62 1wfg n GLY 4 Ca -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 1wfg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 5 N 0.00 -4.88 -1.46 1.61 7.64 -1.26 -4.11 113.62 111.17 1wfg n SER 5 Ca 0.00 1.41 0.17 0.00 1.01 0.00 0.00 58.87 61.46 1wfg n SER 5 Cb 0.00 -5.33 -0.09 0.00 -1.01 0.00 0.00 64.21 57.77 1wfg n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfg n SER 6 N 1.12 -7.89 -1.70 6.43 2.88 -1.26 -4.79 113.62 108.40 1wfg n SER 6 Ca -0.18 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 1wfg n SER 6 Cb 0.27 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.73 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 -4.28 1.10 2.29 0.46 0.00 -1.26 -4.98 105.19 98.51 1wfg n GLY 7 Ca -0.09 -1.53 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -4.62 0.17 1.61 -0.00 -1.26 -5.04 115.22 106.07 1wfg n HIS 8 Ca 0.00 2.75 0.00 0.00 -0.00 0.00 0.00 57.72 60.47 1wfg n HIS 8 Cb 0.00 -3.77 0.00 0.00 -0.00 0.00 0.00 29.99 26.22 1wfg n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1wfg n SER 9 N 1.75 -2.84 -4.29 0.41 7.64 -1.26 -5.10 113.62 109.94 1wfg n SER 9 Ca -0.00 0.63 -0.39 0.00 1.01 0.00 0.00 58.87 60.12 1wfg n SER 9 Cb 0.00 2.78 0.02 0.00 -1.01 0.00 0.00 64.21 66.00 1wfg n SER 9 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1wfg n HIS 10 N -3.18 -2.52 -3.27 1.43 -0.00 -1.26 -4.96 115.22 101.46 1wfg n HIS 10 Ca 0.00 0.43 -0.23 0.00 -0.00 0.00 0.00 57.72 57.92 1wfg n HIS 10 Cb 0.00 -1.73 -0.08 0.00 -0.00 0.00 0.00 29.99 28.18 1wfg n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1wfg n SER 11 N 2.09 -0.97 -3.81 0.26 7.64 -1.26 -5.03 113.62 112.55 1wfg n SER 11 Ca 0.08 -2.48 -0.30 0.00 1.01 0.00 0.00 58.87 57.18 1wfg n SER 11 Cb 0.48 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfg n ASP 12 N 2.78 3.63 -3.50 6.43 9.92 -1.26 -4.95 116.55 129.60 1wfg n ASP 12 Ca 0.27 -3.28 -0.28 0.00 -0.53 0.00 0.00 54.79 50.97 1wfg n ASP 12 Cb 0.50 -0.81 -0.12 0.00 -0.64 0.00 0.00 41.12 40.05 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wfg s LYS 13 N -1.82 0.84 0.52 -1.24 1.02 -1.26 -5.12 119.74 112.68 1wfg s LYS 13 Ca 0.30 -1.74 -0.21 0.00 0.02 0.00 0.00 55.97 54.35 1wfg s LYS 13 Cb 0.01 -1.57 -0.08 0.00 -0.52 0.00 0.00 37.83 35.67 1wfg s LYS 13 CO -0.10 -1.26 0.92 0.72 -0.92 0.00 0.00 175.35 174.71 1wfg n HIS 14 N 3.54 0.76 -0.04 3.18 8.25 -1.26 -4.93 115.22 124.72 1wfg n HIS 14 Ca 0.17 0.48 -0.14 0.00 -0.26 0.00 0.00 57.72 57.97 1wfg n HIS 14 Cb 0.40 -2.15 -0.11 0.00 1.12 0.00 0.00 29.99 29.24 1wfg n HIS 14 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wfg h PRO 15 N 0.88 0.06 -6.29 -0.41 0.13 -1.96 -3.45 132.00 120.97 1wfg h PRO 15 Ca -0.47 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 1wfg h PRO 15 Cb 1.36 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 1wfg h PRO 15 CO 0.53 0.80 -0.27 0.14 -0.23 0.00 0.00 178.00 178.96 1wfg s VAL 16 N -3.23 5.14 -0.19 1.56 -7.23 -1.26 -3.44 120.40 111.74 1wfg s VAL 16 Ca -0.17 -0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 59.80 1wfg s VAL 16 Cb -0.00 -3.70 0.08 0.00 0.56 0.00 0.00 36.38 33.32 1wfg s VAL 16 CO 0.70 -0.16 0.42 0.42 -0.31 0.00 0.00 175.10 176.18 1wfg s THR 17 N -1.87 -0.43 -0.35 5.32 -4.23 0.17 -4.97 115.64 109.28 1wfg s THR 17 Ca 0.41 0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 61.00 1wfg s THR 17 Cb -0.11 -0.65 0.05 0.00 1.34 0.00 0.00 72.50 73.12 1wfg s THR 17 CO 0.28 0.06 0.12 0.26 -0.54 0.00 0.00 174.62 174.79 1wfg s TRP 18 N 2.20 3.28 0.04 3.99 0.52 -1.26 0.40 118.94 128.11 1wfg s TRP 18 Ca -0.04 -1.50 0.02 0.00 0.02 0.00 0.00 56.10 54.59 1wfg s TRP 18 Cb -0.11 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 1wfg s TRP 18 CO -0.13 -0.76 -0.07 -0.65 0.02 0.00 0.00 176.95 175.36 1wfg s GLN 19 N 1.38 0.52 0.63 4.98 -1.52 0.48 -4.99 119.66 121.15 1wfg s GLN 19 Ca -0.01 -0.77 -0.14 0.00 -1.95 0.00 0.00 55.36 52.49 1wfg s GLN 19 Cb -0.20 -0.25 -0.02 0.00 -0.22 0.00 0.00 33.01 32.32 1wfg s GLN 19 CO 0.02 0.04 1.05 -1.25 -0.25 0.00 0.00 175.29 174.90 1wfg s PRO 20 N -1.68 3.20 0.82 2.91 0.04 -1.26 0.12 135.00 139.15 1wfg s PRO 20 Ca -0.09 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 1wfg s PRO 20 Cb -0.09 -2.02 0.20 0.00 0.04 0.00 0.00 34.50 32.63 1wfg s PRO 20 CO 0.00 -0.90 0.75 -1.13 0.04 0.00 0.00 177.00 175.76 1wfg n SER 21 N -2.47 -1.64 -0.09 6.66 3.41 -0.93 -4.67 113.62 113.90 1wfg n SER 21 Ca 0.08 -0.97 -0.06 0.00 -0.26 0.00 0.00 58.87 57.66 1wfg n SER 21 Cb 0.53 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1wfg n SER 21 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wfg h LYS 22 N 0.00 -0.11 0.15 4.33 3.11 -1.97 -3.06 116.57 119.02 1wfg h LYS 22 Ca -0.28 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1wfg h LYS 22 Cb 0.85 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1wfg h LYS 22 CO 0.18 -0.07 -0.07 0.22 -2.81 0.00 0.00 179.45 176.90 1wfg h ASP 23 N -0.12 -0.17 0.00 4.20 1.82 -1.94 -3.48 116.42 116.73 1wfg h ASP 23 Ca 0.17 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1wfg h ASP 23 Cb 0.38 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.43 1wfg h ASP 23 CO -0.42 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 177.74 1wfg n GLY 24 N -0.17 1.15 0.31 -0.78 0.00 -1.16 -4.94 105.19 99.60 1wfg n GLY 24 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 1wfg n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfg h ASP 25 N 1.59 0.00 -2.10 1.61 3.32 -1.94 -3.41 116.42 115.49 1wfg h ASP 25 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1wfg h ASP 25 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1wfg h ASP 25 CO 0.00 0.00 -0.64 -0.13 -1.72 0.00 0.00 179.24 176.75 1wfg s ARG 26 N -4.00 2.18 -0.19 3.56 1.81 -1.26 -1.12 118.95 119.93 1wfg s ARG 26 Ca -0.04 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 52.42 1wfg s ARG 26 Cb 0.09 -2.06 0.05 0.00 -0.45 0.00 0.00 34.95 32.58 1wfg s ARG 26 CO 0.30 0.28 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.96 1wfg s LEU 27 N -3.68 2.01 -0.35 2.53 1.98 0.51 -2.18 118.68 119.49 1wfg s LEU 27 Ca 0.33 -0.85 -0.19 0.00 -2.89 0.00 0.00 54.13 50.53 1wfg s LEU 27 Cb -0.04 -1.06 -0.00 0.00 0.66 0.00 0.00 46.19 45.75 1wfg s LEU 27 CO 0.19 -0.19 0.57 -0.63 -1.89 0.00 0.00 176.35 174.41 1wfg s ILE 28 N 1.51 4.95 -0.11 6.68 -1.09 0.33 0.18 121.20 133.66 1wfg s ILE 28 Ca -0.01 0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 58.84 1wfg s ILE 28 Cb -0.16 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1wfg s ILE 28 CO -0.08 -0.26 0.05 -0.83 -1.23 0.00 0.00 174.94 172.59 1wfg s GLY 29 N 1.77 1.94 -0.10 6.18 0.00 0.50 -0.39 107.32 117.22 1wfg s GLY 29 Ca 0.22 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1wfg s GLY 29 CO 0.14 -0.40 -0.15 0.50 0.00 0.00 0.00 173.10 173.18 1wfg s ARG 30 N -0.68 2.21 -0.19 2.90 0.52 0.16 0.54 118.95 124.41 1wfg s ARG 30 Ca 0.12 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1wfg s ARG 30 Cb -0.12 -1.85 0.03 0.00 0.52 0.00 0.00 34.95 33.53 1wfg s ARG 30 CO 0.02 -0.03 -0.16 0.42 0.02 0.00 0.00 175.30 175.57 1wfg s ILE 31 N 0.90 1.90 -0.12 1.52 1.09 -0.77 0.44 121.20 126.16 1wfg s ILE 31 Ca -0.09 -0.98 -0.01 0.00 -1.10 0.00 0.00 60.65 58.47 1wfg s ILE 31 Cb -0.15 -1.81 -0.02 0.00 -1.06 0.00 0.00 42.46 39.42 1wfg s ILE 31 CO -0.00 0.38 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.91 1wfg s LEU 32 N 1.32 2.99 0.04 2.97 1.98 -1.22 0.23 118.68 126.99 1wfg s LEU 32 Ca 0.02 -0.19 0.07 0.00 -2.89 0.00 0.00 54.13 51.14 1wfg s LEU 32 Cb -0.14 -1.68 -0.03 0.00 0.66 0.00 0.00 46.19 44.99 1wfg s LEU 32 CO -0.11 0.21 -0.20 -0.76 -1.89 0.00 0.00 176.35 173.61 1wfg s LEU 33 N 0.08 2.50 -0.06 -0.68 2.01 0.53 -4.52 118.68 118.55 1wfg s LEU 33 Ca -0.03 -0.45 0.05 0.00 0.01 0.00 0.00 54.13 53.71 1wfg s LEU 33 Cb -0.14 -1.46 -0.01 0.00 0.01 0.00 0.00 46.19 44.59 1wfg s LEU 33 CO 0.04 0.26 -0.22 0.21 1.01 0.00 0.00 176.35 177.65 1wfg s ASN 34 N -1.35 2.75 -0.19 2.29 3.84 -1.26 -0.67 114.94 120.35 1wfg s ASN 34 Ca 0.14 -0.46 -0.04 0.00 0.21 0.00 0.00 52.86 52.70 1wfg s ASN 34 Cb -0.10 -0.84 -0.10 0.00 -0.55 0.00 0.00 41.25 39.66 1wfg s ASN 34 CO 0.04 0.20 -0.21 0.29 -2.79 0.00 0.00 177.10 174.63 1wfg n LYS 35 N 3.11 0.44 -1.41 0.43 5.02 0.24 -4.97 118.16 121.01 1wfg n LYS 35 Ca -0.18 0.14 -0.59 0.00 -2.02 0.00 0.00 58.31 55.66 1wfg n LYS 35 Cb 0.52 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.15 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 -3.44 0.00 -0.23 1.97 1.74 -1.24 -4.61 116.66 110.85 1wfg n ARG 36 Ca -0.35 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.56 1wfg n ARG 36 Cb 0.81 -1.39 0.16 0.00 -1.02 0.00 0.00 32.46 31.03 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 5.17 0.00 -0.31 0.55 4.77 0.86 -4.62 117.00 123.42 1wfg n LEU 37 Ca 0.39 -0.49 -0.03 0.00 -0.03 0.00 0.00 56.01 55.85 1wfg n LEU 37 Cb -0.05 -0.63 0.09 0.00 -2.33 0.00 0.00 43.42 40.51 1wfg n LEU 37 CO 0.82 -2.30 1.23 0.50 -1.33 0.00 0.00 177.39 176.31 1wfg h LYS 38 N 0.00 1.10 -0.58 3.23 3.64 -1.89 -1.79 116.57 120.28 1wfg h LYS 38 Ca -0.22 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1wfg h LYS 38 Cb 0.74 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1wfg h LYS 38 CO 0.13 0.73 0.37 0.22 -2.27 0.00 0.00 179.45 178.63 1wfg h ASP 39 N 1.13 0.63 0.00 4.20 1.82 -2.00 -3.46 116.42 118.74 1wfg h ASP 39 Ca 0.32 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1wfg h ASP 39 Cb -0.09 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.77 1wfg h ASP 39 CO -0.08 0.45 0.00 0.61 -1.61 0.00 0.00 179.24 178.61 1wfg n GLY 40 N -1.26 0.96 3.46 -0.78 0.00 -0.67 -5.16 105.19 101.75 1wfg n GLY 40 Ca 0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wfg n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 41 N 0.00 -0.59 -0.00 1.61 0.01 -1.26 -4.83 113.70 108.64 1wfg s SER 41 Ca 0.00 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.09 1wfg s SER 41 Cb 0.00 1.14 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 1wfg s SER 41 CO 0.00 -0.20 1.09 -0.69 0.41 0.00 0.00 173.24 173.85 1wfg s VAL 42 N 0.37 4.49 0.78 3.43 1.01 -1.26 -0.10 120.40 129.13 1wfg s VAL 42 Ca -0.01 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.63 1wfg s VAL 42 Cb -0.04 -4.15 0.19 0.00 0.00 0.00 0.00 36.38 32.38 1wfg s VAL 42 CO -0.00 0.10 0.86 -0.81 0.00 0.00 0.00 175.10 175.25 1wfg n PRO 43 N 4.23 -1.72 -0.29 2.72 -0.04 -1.26 -4.86 135.00 133.78 1wfg n PRO 43 Ca 0.08 -1.35 0.24 0.00 -0.04 0.00 0.00 63.50 62.43 1wfg n PRO 43 Cb 0.48 -1.07 0.45 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.43 -0.06 0.00 0.54 1.74 -1.26 -4.18 116.66 110.01 1wfg n ARG 44 Ca 0.11 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.44 1wfg n ARG 44 Cb 0.41 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1wfg n ARG 44 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wfg n ASP 45 N -5.07 0.00 -2.73 0.55 2.03 -1.26 -5.04 116.55 105.03 1wfg n ASP 45 Ca 0.30 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.36 1wfg n ASP 45 Cb 1.01 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.32 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wfg n SER 46 N 0.00 6.57 -2.16 1.67 2.88 -1.26 -4.49 113.62 116.83 1wfg n SER 46 Ca 0.00 -2.46 -0.01 0.00 -1.33 0.00 0.00 58.87 55.07 1wfg n SER 46 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 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 3.13 -0.78 0.36 0.46 0.00 -1.26 -4.73 105.19 102.37 1wfg n GLY 47 Ca 0.57 0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.95 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 0.39 1.80 -0.31 4.61 0.00 -1.87 1.46 119.26 125.33 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 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wfg h ALA 48 CO 0.12 -0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 1wfg n MET 49 N -4.72 1.80 0.00 0.00 2.81 -1.26 -4.70 117.12 111.05 1wfg n MET 49 Ca 0.23 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.97 1wfg n MET 49 Cb 0.62 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 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 0.41 0.00 0.00 4.03 7.99 0.50 -2.85 117.00 127.08 1wfg n LEU 50 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1wfg n LEU 50 Cb 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 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 0.23 3.98 -0.72 0.00 -1.26 -3.32 105.19 104.10 1wfg n GLY 51 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1wfg n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wfg s LEU 52 N 0.00 3.64 -0.19 0.99 0.05 -1.13 -2.79 118.68 119.25 1wfg s LEU 52 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.14 1wfg s LEU 52 Cb 0.00 -2.89 0.02 0.00 -2.05 0.00 0.00 46.19 41.26 1wfg s LEU 52 CO 0.00 -0.75 -0.17 -0.75 -0.55 0.00 0.00 176.35 174.13 1wfg s LYS 53 N -4.47 3.03 0.01 1.48 2.36 0.24 -4.92 119.74 117.48 1wfg s LYS 53 Ca 0.51 -0.81 -0.00 0.00 -2.55 0.00 0.00 55.97 53.11 1wfg s LYS 53 Cb -0.10 -2.66 -0.04 0.00 -1.05 0.00 0.00 37.83 33.98 1wfg s LYS 53 CO 0.35 -0.22 0.11 0.08 1.55 0.00 0.00 175.35 177.22 1wfg s VAL 54 N 1.32 4.89 -0.16 4.02 1.01 -1.26 -0.83 120.40 129.38 1wfg s VAL 54 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1wfg s VAL 54 Cb -0.13 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1wfg s VAL 54 CO -0.11 0.30 0.03 -0.69 0.00 0.00 0.00 175.10 174.62 1wfg s VAL 55 N -1.27 0.47 0.15 2.92 1.01 -1.14 -4.95 120.40 117.58 1wfg s VAL 55 Ca 0.26 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1wfg s VAL 55 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1wfg s VAL 55 CO 0.17 -0.08 0.18 0.61 0.00 0.00 0.00 175.10 175.98 1wfg n GLY 56 N 5.08 2.26 2.76 4.51 0.00 -1.26 -2.35 105.19 116.18 1wfg n GLY 56 Ca -0.08 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 3.20 0.20 3.65 -0.02 0.00 -1.20 -3.91 105.19 107.11 1wfg n GLY 57 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.21 4.09 -0.52 1.61 2.20 -1.22 -4.62 119.74 120.07 1wfg s LYS 58 Ca 0.00 1.96 -0.28 0.00 -0.36 0.00 0.00 55.97 57.29 1wfg s LYS 58 Cb 0.00 -3.96 0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1wfg s LYS 58 CO 0.00 -0.93 1.10 1.41 -0.36 0.00 0.00 175.35 176.57 1wfg s MET 59 N 4.10 3.57 0.51 4.03 -2.45 -1.26 -3.26 119.30 124.54 1wfg s MET 59 Ca 0.69 0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 55.34 1wfg s MET 59 Cb -0.29 -3.97 0.12 0.00 1.25 0.00 0.00 34.83 31.95 1wfg s MET 59 CO 0.26 -1.48 0.55 0.25 1.05 0.00 0.00 175.02 175.65 1wfg n THR 60 N 6.65 0.00 1.82 10.11 -2.24 0.27 -4.89 114.28 125.99 1wfg n THR 60 Ca 0.09 -0.32 0.16 0.00 -2.27 0.00 0.00 64.05 61.70 1wfg n THR 60 Cb 0.49 -1.39 0.86 0.00 -2.10 0.00 0.00 70.33 68.19 1wfg n THR 60 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfg n GLU 61 N -2.71 0.91 -0.16 -0.78 0.28 -1.26 -2.67 120.64 114.25 1wfg n GLU 61 Ca 0.07 -0.08 0.05 0.00 -0.16 0.00 0.00 57.16 57.04 1wfg n GLU 61 Cb 0.27 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.77 1wfg n GLU 61 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wfg n SER 62 N -0.97 2.82 -0.38 -1.84 2.88 -1.26 -4.94 113.62 109.93 1wfg n SER 62 Ca 0.21 -2.09 -0.05 0.00 -1.33 0.00 0.00 58.87 55.61 1wfg n SER 62 Cb 0.16 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.23 0.70 3.91 0.46 0.00 -1.09 -4.99 105.19 104.40 1wfg n GLY 63 Ca 0.10 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.89 3.57 -0.03 1.61 1.81 -1.26 -4.81 118.95 117.96 1wfg s ARG 64 Ca 0.00 -0.20 0.03 0.00 -1.72 0.00 0.00 55.73 53.84 1wfg s ARG 64 Cb 0.00 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 31.66 1wfg s ARG 64 CO 0.00 0.39 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.41 1wfg s LEU 65 N -3.13 3.05 0.18 2.53 1.43 -1.26 -0.57 118.68 120.91 1wfg s LEU 65 Ca 0.40 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 1wfg s LEU 65 Cb -0.11 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.46 1wfg s LEU 65 CO 0.28 0.32 0.71 0.00 0.23 0.00 0.00 176.35 177.88 1wfg s ALA 67 N -3.69 3.05 0.02 0.00 0.00 -1.26 -3.40 121.76 116.48 1wfg s ALA 67 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1wfg s ALA 67 Cb -0.03 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1wfg s ALA 67 CO -0.04 0.34 -0.14 -0.06 0.00 0.00 0.00 175.76 175.86 1wfg s PHE 68 N -0.06 1.23 0.13 0.00 0.08 -0.99 -1.96 117.98 116.41 1wfg s PHE 68 Ca 0.02 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.45 1wfg s PHE 68 Cb -0.13 -0.75 -0.10 0.00 -0.57 0.00 0.00 43.02 41.47 1wfg s PHE 68 CO 0.03 0.02 1.64 0.42 -0.10 0.00 0.00 175.22 177.22 1wfg s ILE 69 N -0.65 2.69 -0.27 0.64 1.01 -1.08 -2.87 121.20 120.67 1wfg s ILE 69 Ca 0.03 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 1wfg s ILE 69 Cb -0.07 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.03 1wfg s ILE 69 CO 0.01 0.02 -0.32 0.35 0.00 0.00 0.00 174.94 174.99 1wfg n THR 70 N 4.29 1.50 -3.77 2.92 -2.24 -0.01 -0.57 114.28 116.40 1wfg n THR 70 Ca 0.15 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1wfg n THR 70 Cb 0.39 -1.75 -0.10 0.00 -2.10 0.00 0.00 70.33 66.78 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 -2.51 0.53 -0.16 -0.78 2.20 -1.23 -4.64 119.74 113.16 1wfg s LYS 71 Ca -0.37 0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1wfg s LYS 71 Cb 0.13 0.24 0.06 0.00 -1.51 0.00 0.00 37.83 36.75 1wfg s LYS 71 CO 0.51 -0.12 0.07 0.54 -0.36 0.00 0.00 175.35 175.99 1wfg s VAL 72 N -0.68 0.10 0.61 4.02 0.11 -1.26 0.82 120.40 124.12 1wfg s VAL 72 Ca -0.08 -0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 58.58 1wfg s VAL 72 Cb -0.04 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1wfg s VAL 72 CO 0.02 -0.21 0.91 1.17 -3.33 0.00 0.00 175.10 173.67 1wfg n LYS 73 N 5.21 0.81 -3.12 1.54 3.00 -1.12 -4.91 118.16 119.57 1wfg n LYS 73 Ca -0.07 0.32 -0.44 0.00 -0.00 0.00 0.00 58.31 58.11 1wfg n LYS 73 Cb 0.49 -2.11 -0.05 0.00 0.00 0.00 0.00 35.03 33.35 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 3.09 0.00 1.64 2.47 -1.26 -3.94 119.74 119.02 1wfg s LYS 74 Ca 0.76 -1.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.11 1wfg s LYS 74 Cb -0.41 -4.17 0.00 0.00 -1.46 0.00 0.00 37.83 31.78 1wfg s LYS 74 CO 0.47 -1.39 0.00 0.41 0.16 0.00 0.00 175.35 175.00 1wfg n GLY 75 N 5.22 1.79 3.41 5.54 0.00 -1.26 -5.07 105.19 114.82 1wfg n GLY 75 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1wfg n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 76 N -2.00 2.75 0.18 1.61 1.04 -1.25 -4.85 113.70 111.17 1wfg s SER 76 Ca 0.00 -1.14 -0.27 0.00 0.48 0.00 0.00 55.95 55.02 1wfg s SER 76 Cb 0.00 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1wfg s SER 76 CO 0.00 -0.27 1.55 -0.07 0.98 0.00 0.00 173.24 175.42 1wfg h LEU 77 N 2.35 -1.93 -5.02 2.42 -0.00 -1.92 1.38 115.31 112.59 1wfg h LEU 77 Ca -0.39 0.32 -0.43 0.00 -0.00 0.00 0.00 57.88 57.37 1wfg h LEU 77 Cb 1.23 0.88 0.01 0.00 -0.00 0.00 0.00 40.66 42.78 1wfg h LEU 77 CO 0.65 -0.26 2.46 0.00 -0.00 0.00 0.00 178.44 181.30 1wfg n ALA 78 N -3.29 5.83 0.00 1.53 0.00 -1.26 -0.04 120.51 123.28 1wfg n ALA 78 Ca 0.04 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1wfg n ALA 78 Cb 0.31 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 3.63 0.00 0.03 0.00 2.03 0.47 -3.86 116.55 118.85 1wfg n ASP 79 Ca 0.54 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.77 1wfg n ASP 79 Cb 0.29 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.77 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 1.34 0.00 5.18 1.35 0.17 -1.05 112.91 119.90 1wfg h THR 80 Ca 0.00 -1.83 -0.08 0.00 -0.55 0.00 0.00 66.41 63.95 1wfg h THR 80 Cb 0.00 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1wfg h THR 80 CO 0.00 0.56 -1.31 1.33 -0.25 0.00 0.00 175.52 175.85 1wfg n VAL 81 N -3.94 0.31 0.07 6.82 0.24 -0.70 -4.68 118.33 116.45 1wfg n VAL 81 Ca -0.03 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1wfg n VAL 81 Cb 0.60 -0.71 -0.13 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.46 0.13 -6.46 7.63 0.00 -0.62 -3.44 103.07 100.78 1wfg h GLY 82 Ca -0.12 -0.34 -0.51 0.00 0.00 0.00 0.00 47.33 46.36 1wfg h GLY 82 CO -0.02 0.30 -0.77 1.42 0.00 0.00 0.00 176.54 177.48 1wfg n HIS 83 N -3.41 -1.86 -0.70 5.60 -0.00 -0.40 -4.65 115.22 109.79 1wfg n HIS 83 Ca -0.05 0.76 -0.09 0.00 -0.00 0.00 0.00 57.72 58.35 1wfg n HIS 83 Cb 0.98 -3.11 0.07 0.00 -0.00 0.00 0.00 29.99 27.94 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 -4.33 0.00 -3.57 2.41 4.77 -1.25 -4.87 117.00 110.16 1wfg n LEU 84 Ca 0.06 -0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 55.51 1wfg n LEU 84 Cb 0.50 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1wfg n LEU 84 CO 0.78 -1.32 0.36 -0.13 -1.33 0.00 0.00 177.39 175.75 1wfg s ARG 85 N -3.76 0.97 -0.83 3.23 1.81 -1.26 -4.84 118.95 114.27 1wfg s ARG 85 Ca 0.22 0.20 -0.25 0.00 -1.72 0.00 0.00 55.73 54.18 1wfg s ARG 85 Cb -0.02 0.46 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1wfg s ARG 85 CO 0.16 -0.29 1.64 -1.25 -0.68 0.00 0.00 175.30 174.88 1wfg s PRO 86 N -1.15 3.00 0.00 3.54 0.04 -1.26 -2.66 135.00 136.51 1wfg s PRO 86 Ca -0.11 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1wfg s PRO 86 Cb -0.01 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1wfg s PRO 86 CO 0.09 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 174.91 1wfg n GLY 87 N 6.27 0.35 2.40 0.56 0.00 0.27 -4.87 105.19 110.17 1wfg n GLY 87 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.59 -3.63 1.61 8.00 -1.09 -4.69 116.55 113.17 1wfg n ASP 88 Ca 0.00 -0.68 -0.29 0.00 0.71 0.00 0.00 54.79 54.54 1wfg n ASP 88 Cb 0.00 -0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 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 -4.58 0.38 -0.61 -1.24 2.12 -1.26 -2.62 118.70 110.90 1wfg s GLU 89 Ca 0.51 -0.64 -0.27 0.00 0.36 0.00 0.00 54.97 54.93 1wfg s GLU 89 Cb -0.09 -1.57 -0.00 0.00 0.26 0.00 0.00 34.13 32.73 1wfg s GLU 89 CO 0.42 -0.94 1.66 0.54 -0.54 0.00 0.00 175.26 176.41 1wfg s VAL 90 N 1.93 3.51 0.01 3.70 0.11 -0.83 -2.73 120.40 126.11 1wfg s VAL 90 Ca 0.07 0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 59.22 1wfg s VAL 90 Cb -0.16 -4.20 -0.16 0.00 -1.53 0.00 0.00 36.38 30.33 1wfg s VAL 90 CO -0.28 -1.10 1.18 -0.07 -3.33 0.00 0.00 175.10 171.50 1wfg h LEU 91 N 14.96 -0.45 -9.41 2.54 3.38 0.37 -3.40 115.31 123.31 1wfg h LEU 91 Ca -0.27 -0.12 -0.61 0.00 0.09 0.00 0.00 57.88 56.97 1wfg h LEU 91 Cb 1.13 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 1wfg h LEU 91 CO 1.21 -0.08 -0.67 -1.61 0.09 0.00 0.00 178.44 177.37 1wfg s GLU 92 N -4.61 1.80 -0.25 1.13 2.02 -0.58 -0.56 118.70 117.64 1wfg s GLU 92 Ca -0.14 -1.93 -0.03 0.00 0.02 0.00 0.00 54.97 52.89 1wfg s GLU 92 Cb 0.02 -1.64 0.11 0.00 0.10 0.00 0.00 34.13 32.72 1wfg s GLU 92 CO 0.51 0.12 0.21 -0.46 0.02 0.00 0.00 175.26 175.66 1wfg s TRP 93 N -2.66 -0.15 -1.13 1.61 -0.11 0.16 -1.99 118.94 114.67 1wfg s TRP 93 Ca 0.32 -0.24 0.00 0.00 1.22 0.00 0.00 56.10 57.40 1wfg s TRP 93 Cb 0.03 -0.56 0.00 0.00 -1.50 0.00 0.00 33.47 31.44 1wfg s TRP 93 CO 0.16 -0.77 0.00 0.09 -4.62 0.00 0.00 176.95 171.82 1wfg n ASN 94 N 5.30 -5.40 0.00 5.86 4.13 0.63 -0.08 115.26 125.70 1wfg n ASN 94 Ca -0.05 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1wfg n ASN 94 Cb 0.46 -3.83 0.00 0.00 -1.54 0.00 0.00 39.78 34.87 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wfg n GLY 95 N -0.19 0.64 3.55 7.41 0.00 -1.26 -4.88 105.19 110.46 1wfg n GLY 95 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.60 3.53 0.15 1.61 1.81 0.89 -5.03 118.95 121.31 1wfg s ARG 96 Ca 0.00 -0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 53.53 1wfg s ARG 96 Cb 0.00 -3.85 -0.09 0.00 -0.45 0.00 0.00 34.95 30.56 1wfg s ARG 96 CO 0.00 -0.79 1.42 -1.17 -0.68 0.00 0.00 175.30 174.08 1wfg s LEU 97 N 2.61 4.38 0.00 2.53 2.96 -1.26 0.38 118.68 130.28 1wfg s LEU 97 Ca 0.22 2.42 0.21 0.00 -0.22 0.00 0.00 54.13 56.76 1wfg s LEU 97 Cb -0.15 -3.59 -0.24 0.00 0.50 0.00 0.00 46.19 42.71 1wfg s LEU 97 CO 0.15 -0.67 0.58 0.18 -1.32 0.00 0.00 176.35 175.27 1wfg n LEU 98 N 3.64 0.27 -4.61 -0.68 4.77 0.27 -4.65 117.00 116.01 1wfg n LEU 98 Ca 0.11 0.11 -0.45 0.00 -0.03 0.00 0.00 56.01 55.75 1wfg n LEU 98 Cb 0.41 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1wfg n LEU 98 CO 0.59 0.04 1.73 0.00 -1.33 0.00 0.00 177.39 178.43 1wfg n GLN 99 N -2.48 2.09 0.00 3.23 6.02 -1.24 -0.19 117.38 124.81 1wfg n GLN 99 Ca -0.08 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1wfg n GLN 99 Cb 0.67 -2.98 0.00 0.00 1.02 0.00 0.00 30.24 28.95 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 5.38 3.07 3.76 1.08 0.00 0.49 -4.97 105.19 114.00 1wfg n GLY 100 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg s ALA 101 N -2.45 3.12 0.82 4.61 0.00 0.74 -4.68 121.76 123.92 1wfg s ALA 101 Ca 0.00 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1wfg s ALA 101 Cb 0.00 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.64 1wfg s ALA 101 CO 0.00 -1.20 1.19 0.95 0.00 0.00 0.00 175.76 176.70 1wfg s THR 102 N -1.24 2.00 0.26 0.00 -4.23 -1.26 -3.21 115.64 107.96 1wfg s THR 102 Ca 0.64 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1wfg s THR 102 Cb -0.42 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.67 1wfg s THR 102 CO 0.53 0.00 1.72 0.15 -0.54 0.00 0.00 174.62 176.48 1wfg h PHE 103 N -1.10 0.59 0.24 3.99 3.57 -1.82 0.37 116.94 122.78 1wfg h PHE 103 Ca -0.46 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1wfg h PHE 103 Cb 1.32 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1wfg h PHE 103 CO 0.21 0.04 -0.12 0.93 -2.23 0.00 0.00 178.31 177.15 1wfg h GLU 104 N 0.46 -0.31 -0.58 1.11 5.08 -1.92 -2.33 114.58 116.08 1wfg h GLU 104 Ca 0.47 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.94 1wfg h GLU 104 Cb 0.78 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.00 1wfg h GLU 104 CO -0.45 0.04 -0.44 0.93 -1.00 0.00 0.00 179.01 178.09 1wfg h GLU 105 N -0.75 -0.22 -0.64 2.33 5.08 -1.70 1.35 114.58 120.04 1wfg h GLU 105 Ca -0.03 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1wfg h GLU 105 Cb 0.50 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 1wfg h GLU 105 CO 0.05 -0.15 0.20 0.28 -1.00 0.00 0.00 179.01 178.40 1wfg h VAL 106 N -0.23 0.69 0.44 3.13 2.07 -1.00 -1.72 116.25 119.63 1wfg h VAL 106 Ca 0.18 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1wfg h VAL 106 Cb 0.56 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1wfg h VAL 106 CO -0.69 0.06 -0.21 0.22 0.02 0.00 0.00 177.57 176.97 1wfg h TYR 107 N 0.35 -0.55 -0.98 1.57 5.03 0.18 -2.87 116.97 119.69 1wfg h TYR 107 Ca 0.33 -0.01 0.25 0.00 2.58 0.00 0.00 58.73 61.88 1wfg h TYR 107 Cb 0.47 0.18 -0.18 0.00 1.55 0.00 0.00 36.73 38.75 1wfg h TYR 107 CO -0.20 -0.28 -0.06 -0.91 -1.32 0.00 0.00 178.16 175.39 1wfg h ASN 108 N -0.72 -0.62 0.00 -2.11 2.35 0.22 0.15 115.58 114.85 1wfg h ASN 108 Ca -0.06 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1wfg h ASN 108 Cb 0.52 0.53 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1wfg h ASN 108 CO 0.10 -0.34 0.00 -0.38 -1.65 0.00 0.00 177.43 175.16 1wfg n ILE 109 N -5.53 0.00 -0.52 2.81 5.41 -0.71 0.59 119.36 121.40 1wfg n ILE 109 Ca 0.21 1.23 0.44 0.00 1.00 0.00 0.00 62.75 65.63 1wfg n ILE 109 Cb 0.67 -1.99 0.72 0.00 -0.71 0.00 0.00 39.64 38.33 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 0.05 0.24 1.39 2.04 -1.12 1.35 117.51 121.47 1wfg h ILE 110 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wfg h ILE 110 Cb 0.00 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1wfg h ILE 110 CO 0.00 0.00 -0.11 0.25 0.00 0.00 0.00 178.15 178.29 1wfg h LEU 111 N 0.00 -0.27 0.00 1.44 6.46 0.17 -2.73 115.31 120.38 1wfg h LEU 111 Ca 0.77 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.27 1wfg h LEU 111 Cb 3.35 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 43.35 1wfg h LEU 111 CO -0.01 0.18 0.00 -0.62 -0.62 0.00 0.00 178.44 177.37 1wfg n GLU 112 N -5.03 0.05 -0.05 1.25 1.02 0.44 -0.47 120.64 117.85 1wfg n GLU 112 Ca -0.09 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1wfg n GLU 112 Cb 0.26 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.40 1wfg n GLU 112 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wfg n SER 113 N -1.41 2.75 0.01 1.62 2.88 0.35 -4.26 113.62 115.55 1wfg n SER 113 Ca 0.03 -1.89 -0.11 0.00 -1.33 0.00 0.00 58.87 55.57 1wfg n SER 113 Cb 0.09 -0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wfg h LYS 114 N 4.06 0.04 -0.02 -1.46 1.57 -0.50 -2.74 116.57 117.53 1wfg h LYS 114 Ca 0.00 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1wfg h LYS 114 Cb 0.87 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1wfg h LYS 114 CO 0.00 0.03 -0.82 -1.00 -0.57 0.00 0.00 179.45 177.09 1wfg h PRO 115 N 0.04 0.26 -6.01 3.15 0.13 -1.78 -3.45 132.00 124.34 1wfg h PRO 115 Ca 0.03 -0.25 -0.72 0.00 -0.87 0.00 0.00 66.00 64.19 1wfg h PRO 115 Cb 0.03 0.07 0.09 0.00 0.13 0.00 0.00 31.00 31.31 1wfg h PRO 115 CO -0.05 0.95 -0.27 0.39 -0.23 0.00 0.00 178.00 178.79 1wfg n GLU 116 N -3.73 0.04 0.10 0.86 1.02 -1.03 -4.84 120.64 113.05 1wfg n GLU 116 Ca -0.04 0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 1wfg n GLU 116 Cb 0.77 -1.23 0.05 0.00 -0.02 0.00 0.00 31.44 31.01 1wfg n GLU 116 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wfg h PRO 117 N 1.86 0.07 -5.05 3.49 0.13 -1.89 -3.47 132.00 127.14 1wfg h PRO 117 Ca -0.38 -0.07 -0.46 0.00 -0.87 0.00 0.00 66.00 64.23 1wfg h PRO 117 Cb 1.43 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.44 1wfg h PRO 117 CO 0.61 0.81 -0.58 1.14 -0.23 0.00 0.00 178.00 179.74 1wfg s GLN 118 N -3.31 1.66 -0.24 0.86 -2.07 -1.26 0.79 119.66 116.09 1wfg s GLN 118 Ca -0.01 -1.95 -0.02 0.00 -1.82 0.00 0.00 55.36 51.56 1wfg s GLN 118 Cb 0.11 -0.55 0.12 0.00 -1.09 0.00 0.00 33.01 31.60 1wfg s GLN 118 CO 0.80 -0.32 0.32 0.08 -1.32 0.00 0.00 175.29 174.84 1wfg s VAL 119 N -3.43 -0.48 -0.39 3.63 1.01 0.15 -4.92 120.40 115.98 1wfg s VAL 119 Ca 0.33 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 1wfg s VAL 119 Cb 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1wfg s VAL 119 CO 0.15 -0.23 0.37 -0.70 0.00 0.00 0.00 175.10 174.70 1wfg s GLU 120 N 2.44 3.24 0.38 2.72 2.12 -1.26 -0.34 118.70 128.00 1wfg s GLU 120 Ca 0.10 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1wfg s GLU 120 Cb -0.15 -3.91 -0.01 0.00 0.26 0.00 0.00 34.13 30.32 1wfg s GLU 120 CO -0.19 -0.71 0.56 -0.51 -0.54 0.00 0.00 175.26 173.87 1wfg s LEU 121 N 1.99 3.88 -0.27 2.70 1.43 0.61 0.23 118.68 129.24 1wfg s LEU 121 Ca 0.10 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1wfg s LEU 121 Cb -0.17 -3.04 0.13 0.00 0.03 0.00 0.00 46.19 43.14 1wfg s LEU 121 CO 0.12 -0.49 0.30 -0.69 0.23 0.00 0.00 176.35 175.83 1wfg s VAL 122 N -2.34 -0.43 0.21 -1.59 1.01 -0.84 -1.84 120.40 114.57 1wfg s VAL 122 Ca 0.44 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1wfg s VAL 122 Cb -0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1wfg s VAL 122 CO 0.35 -0.38 -0.00 0.54 0.00 0.00 0.00 175.10 175.60 1wfg s VAL 123 N 2.39 3.61 0.26 2.92 0.11 0.19 0.28 120.40 130.16 1wfg s VAL 123 Ca 0.09 -1.59 0.10 0.00 -2.93 0.00 0.00 61.98 57.64 1wfg s VAL 123 Cb -0.14 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 1wfg s VAL 123 CO -0.28 -0.20 -0.01 -0.55 -3.33 0.00 0.00 175.10 170.73 1wfg s SER 124 N -3.19 4.52 0.06 3.54 0.15 -1.11 0.19 113.70 117.86 1wfg s SER 124 Ca 0.29 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 1wfg s SER 124 Cb -0.08 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1wfg s SER 124 CO 0.19 0.01 0.19 -0.13 1.20 0.00 0.00 173.24 174.69 1wfg s ARG 125 N -3.63 0.73 -0.52 5.44 0.52 0.48 -4.48 118.95 117.49 1wfg s ARG 125 Ca 0.31 -0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 54.61 1wfg s ARG 125 Cb -0.06 0.30 0.11 0.00 0.52 0.00 0.00 34.95 35.81 1wfg s ARG 125 CO 0.20 -0.22 0.50 -1.54 0.02 0.00 0.00 175.30 174.25 1wfg s SER 126 N -2.35 6.18 0.54 0.23 1.04 -1.26 0.19 113.70 118.27 1wfg s SER 126 Ca -0.02 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 54.84 1wfg s SER 126 Cb 0.01 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1wfg s SER 126 CO -0.06 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1wfg n GLY 127 N 5.24 -3.72 3.73 7.32 0.00 -0.27 -4.82 105.19 112.67 1wfg n GLY 127 Ca -0.13 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.88 4.55 0.32 1.61 0.04 -1.26 -4.79 135.00 130.59 1wfg s PRO 128 Ca 0.00 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.88 1wfg s PRO 128 Cb 0.00 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1wfg s PRO 128 CO 0.00 -0.01 -0.00 -1.54 0.04 0.00 0.00 177.00 175.48 1wfg s SER 129 N 0.17 4.20 -0.07 6.66 1.04 -1.26 -5.15 113.70 119.29 1wfg s SER 129 Ca 0.52 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 1wfg s SER 129 Cb -0.30 -0.57 0.02 0.00 0.10 0.00 0.00 66.02 65.28 1wfg s SER 129 CO 0.34 -0.18 0.18 -0.44 0.98 0.00 0.00 173.24 174.12 1wfg s SER 130 N -3.70 -0.19 0.00 7.02 0.01 -1.26 -5.26 113.70 110.33 1wfg s SER 130 Ca 0.34 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1wfg s SER 130 Cb -0.02 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wfg s SER 130 CO 0.19 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.37