#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgx n SER 2 N 0.00 0.00 -4.29 1.61 3.41 -1.26 -5.15 113.62 107.94 1wgx n SER 2 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1wgx n SER 2 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1wgx n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wgx s SER 3 N 0.00 3.71 0.22 4.04 1.04 -1.26 -5.03 113.70 116.42 1wgx s SER 3 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1wgx s SER 3 Cb 0.00 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1wgx s SER 3 CO 0.00 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1wgx n GLY 4 N 3.85 -2.41 0.14 7.32 0.00 -1.26 -5.06 105.19 107.77 1wgx n GLY 4 Ca -0.19 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1wgx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgx n SER 5 N -3.18 -0.23 -4.43 1.61 2.88 -1.26 -5.15 113.62 103.86 1wgx n SER 5 Ca -0.02 0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.71 1wgx n SER 5 Cb 0.28 0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 64.22 1wgx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgx s SER 6 N -2.00 2.96 0.00 -3.46 0.15 -1.26 -5.09 113.70 105.00 1wgx s SER 6 Ca 0.00 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1wgx s SER 6 Cb 0.00 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1wgx s SER 6 CO 0.00 -0.25 0.57 0.61 1.20 0.00 0.00 173.24 175.37 1wgx n GLY 7 N -0.58 -1.64 2.92 9.45 0.00 -1.26 -4.89 105.19 109.19 1wgx n GLY 7 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1wgx n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wgx s ASP 8 N -2.29 -0.87 -0.40 1.61 1.47 -1.26 -5.04 116.67 109.88 1wgx s ASP 8 Ca 0.00 -0.57 0.06 0.00 1.18 0.00 0.00 52.55 53.22 1wgx s ASP 8 Cb 0.00 1.12 0.31 0.00 -0.34 0.00 0.00 42.92 44.02 1wgx s ASP 8 CO 0.00 -0.08 1.23 2.29 0.68 0.00 0.00 175.17 179.28 1wgx n LYS 9 N 3.75 0.79 -4.48 2.11 -0.00 -1.26 -5.15 118.16 113.92 1wgx n LYS 9 Ca 0.09 -1.53 -0.23 0.00 -0.00 0.00 0.00 58.31 56.65 1wgx n LYS 9 Cb 0.60 -0.54 -0.11 0.00 -0.00 0.00 0.00 35.03 34.99 1wgx n LYS 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wgx s GLU 10 N 0.18 1.68 0.76 -1.58 2.02 -1.26 -5.13 118.70 115.37 1wgx s GLU 10 Ca 0.20 -1.90 -0.04 0.00 0.02 0.00 0.00 54.97 53.25 1wgx s GLU 10 Cb 0.29 -1.19 0.13 0.00 0.10 0.00 0.00 34.13 33.47 1wgx s GLU 10 CO -0.09 -0.04 1.05 -1.58 0.02 0.00 0.00 175.26 174.61 1wgx s TRP 11 N -3.02 1.69 0.21 1.61 0.52 -1.26 -5.11 118.94 113.58 1wgx s TRP 11 Ca 0.33 -0.13 0.11 0.00 0.02 0.00 0.00 56.10 56.43 1wgx s TRP 11 Cb 0.06 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 1wgx s TRP 11 CO 0.14 -1.84 -0.17 0.54 0.02 0.00 0.00 176.95 175.65 1wgx s ASN 12 N -4.74 3.80 0.24 2.95 2.20 -1.26 -4.94 114.94 113.19 1wgx s ASN 12 Ca 0.67 -0.78 -0.09 0.00 -0.94 0.00 0.00 52.86 51.72 1wgx s ASN 12 Cb -0.05 -0.46 0.37 0.00 -2.00 0.00 0.00 41.25 39.11 1wgx s ASN 12 CO 0.46 0.10 1.41 1.21 -2.94 0.00 0.00 177.10 177.33 1wgx n GLU 13 N -0.01 -0.11 -0.21 3.55 2.13 -1.26 0.18 120.64 124.90 1wgx n GLU 13 Ca -0.10 1.41 0.00 0.00 0.66 0.00 0.00 57.16 59.13 1wgx n GLU 13 Cb 0.57 -2.10 0.08 0.00 0.27 0.00 0.00 31.44 30.26 1wgx n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1wgx h LYS 14 N 0.00 0.03 0.32 5.31 3.64 -1.98 0.64 116.57 124.53 1wgx h LYS 14 Ca 0.40 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1wgx h LYS 14 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1wgx h LYS 14 CO -0.92 0.02 -0.15 0.93 -2.27 0.00 0.00 179.45 177.06 1wgx h GLU 15 N 0.04 -0.41 -0.01 1.90 5.08 0.15 -1.37 114.58 119.95 1wgx h GLU 15 Ca 0.32 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1wgx h GLU 15 Cb 0.50 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1wgx h GLU 15 CO -0.62 -0.12 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.12 1wgx h LEU 16 N -0.69 -0.25 -1.15 1.33 -0.00 0.58 0.92 115.31 116.05 1wgx h LEU 16 Ca -0.04 0.03 0.35 0.00 -0.00 0.00 0.00 57.88 58.22 1wgx h LEU 16 Cb 0.48 0.10 -0.14 0.00 -0.00 0.00 0.00 40.66 41.09 1wgx h LEU 16 CO 0.07 -0.07 0.65 0.06 -0.00 0.00 0.00 178.44 179.15 1wgx h GLN 17 N -0.09 0.23 -0.53 1.13 3.07 0.17 1.70 115.11 120.80 1wgx h GLN 17 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 58.65 58.62 1wgx h GLN 17 Cb 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 1wgx h GLN 17 CO -0.06 0.16 -0.09 0.87 0.09 0.00 0.00 178.83 179.80 1wgx h LYS 18 N 0.24 0.99 0.20 0.06 1.57 0.22 1.25 116.57 121.10 1wgx h LYS 18 Ca 0.75 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1wgx h LYS 18 Cb 1.94 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1wgx h LYS 18 CO -0.53 1.04 -0.09 1.25 -0.57 0.00 0.00 179.45 180.54 1wgx h LEU 19 N 0.86 -0.22 0.21 2.94 5.85 0.96 -1.03 115.31 124.88 1wgx h LEU 19 Ca 0.14 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1wgx h LEU 19 Cb 0.65 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1wgx h LEU 19 CO 0.04 0.19 -0.10 0.45 -0.34 0.00 0.00 178.44 178.68 1wgx h HIS 20 N -0.68 -0.26 0.00 1.25 3.86 0.34 0.46 115.15 120.12 1wgx h HIS 20 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1wgx h HIS 20 Cb 0.48 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1wgx h HIS 20 CO 0.05 -0.08 0.00 0.00 0.86 0.00 0.00 177.93 178.75 1wgx h ALA 22 N -1.43 0.26 -0.89 0.00 0.00 -1.20 1.68 119.26 117.67 1wgx h ALA 22 Ca 0.00 0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.34 1wgx h ALA 22 Cb 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1wgx h ALA 22 CO 0.00 -0.51 0.60 0.35 0.00 0.00 0.00 179.25 179.69 1wgx h PHE 23 N -0.06 0.44 0.00 0.00 3.04 0.86 1.27 116.94 122.48 1wgx h PHE 23 Ca 0.28 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 1wgx h PHE 23 Cb 0.49 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1wgx h PHE 23 CO -0.54 0.11 -0.34 0.00 -2.02 0.00 0.00 178.31 175.52 1wgx h ALA 24 N 1.61 0.05 0.04 2.41 0.00 0.80 -3.38 119.26 120.78 1wgx h ALA 24 Ca 0.46 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wgx h ALA 24 Cb 1.26 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1wgx h ALA 24 CO -0.15 0.24 -0.39 0.77 0.00 0.00 0.00 179.25 179.72 1wgx h SER 25 N -1.00 -1.18 -3.98 0.00 0.02 0.26 -3.41 113.55 104.26 1wgx h SER 25 Ca -0.06 0.14 -0.47 0.00 -0.84 0.00 0.00 61.79 60.55 1wgx h SER 25 Cb 0.60 0.46 0.01 0.00 0.14 0.00 0.00 62.40 63.62 1wgx h SER 25 CO -0.04 -0.45 0.39 -0.76 -1.14 0.00 0.00 176.83 174.84 1wgx s LEU 26 N -10.32 4.10 0.53 5.07 1.43 0.43 -5.02 118.68 114.90 1wgx s LEU 26 Ca -0.16 1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 54.73 1wgx s LEU 26 Cb 0.08 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 1wgx s LEU 26 CO 0.64 -0.47 1.04 -2.16 0.23 0.00 0.00 176.35 175.63 1wgx s PRO 27 N -2.61 3.61 0.00 1.29 0.04 -1.26 -4.64 135.00 131.43 1wgx s PRO 27 Ca 0.59 1.27 0.25 0.00 0.04 0.00 0.00 61.00 63.15 1wgx s PRO 27 Cb -0.20 -2.07 0.54 0.00 0.04 0.00 0.00 34.50 32.82 1wgx s PRO 27 CO 0.25 -0.58 1.43 1.63 0.04 0.00 0.00 177.00 179.77 1wgx n LYS 28 N -1.45 0.85 0.00 4.56 4.01 -1.26 -3.60 118.16 121.26 1wgx n LYS 28 Ca 0.09 -0.56 0.14 0.00 -0.51 0.00 0.00 58.31 57.47 1wgx n LYS 28 Cb 0.53 -1.49 0.58 0.00 -0.51 0.00 0.00 35.03 34.14 1wgx n LYS 28 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1wgx n HIS 29 N -0.59 0.00 -1.64 2.13 1.44 -1.26 -4.88 115.22 110.43 1wgx n HIS 29 Ca 0.11 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.51 1wgx n HIS 29 Cb 0.37 -0.12 0.05 0.00 0.12 0.00 0.00 29.99 30.41 1wgx n HIS 29 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1wgx s LYS 30 N -2.36 2.93 0.00 -1.40 1.02 -1.24 -5.03 119.74 113.66 1wgx s LYS 30 Ca 0.31 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1wgx s LYS 30 Cb 0.20 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1wgx s LYS 30 CO 0.45 -1.08 0.23 -0.35 -0.92 0.00 0.00 175.35 173.68 1wgx n PRO 31 N -3.10 0.00 -1.06 -1.68 -0.04 -1.26 -4.04 135.00 123.82 1wgx n PRO 31 Ca 0.07 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 1wgx n PRO 31 Cb 0.54 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.82 1wgx n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wgx n GLY 32 N 1.34 3.22 0.33 0.55 0.00 -1.26 -4.57 105.19 104.81 1wgx n GLY 32 Ca 0.00 -1.27 0.09 0.00 0.00 0.00 0.00 46.02 44.83 1wgx n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wgx h PHE 33 N 2.90 0.92 0.05 1.61 3.57 -1.89 0.11 116.94 124.21 1wgx h PHE 33 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1wgx h PHE 33 Cb 1.35 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1wgx h PHE 33 CO 1.66 0.25 -0.02 -1.49 -2.23 0.00 0.00 178.31 176.47 1wgx h TRP 34 N 0.74 -0.06 -0.84 0.41 -0.00 -1.88 0.99 115.95 115.31 1wgx h TRP 34 Ca 0.50 -0.00 0.19 0.00 -0.00 0.00 0.00 58.89 59.58 1wgx h TRP 34 Cb 0.68 0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 29.81 1wgx h TRP 34 CO -0.05 0.14 0.56 0.66 -0.00 0.00 0.00 178.44 179.75 1wgx h SER 35 N -0.26 0.33 0.22 -3.49 4.64 -1.41 0.76 113.55 114.35 1wgx h SER 35 Ca -0.01 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1wgx h SER 35 Cb 0.23 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1wgx h SER 35 CO 0.01 0.15 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.68 1wgx h GLU 36 N 0.34 -0.28 -0.31 4.77 5.08 -0.20 -2.66 114.58 121.32 1wgx h GLU 36 Ca 0.42 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.89 1wgx h GLU 36 Cb 1.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1wgx h GLU 36 CO -0.13 -0.19 0.42 -0.39 -1.00 0.00 0.00 179.01 177.72 1wgx h VAL 37 N -0.66 0.29 0.00 3.13 -1.51 -0.40 1.62 116.25 118.72 1wgx h VAL 37 Ca -0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.37 1wgx h VAL 37 Cb 0.22 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 1wgx h VAL 37 CO 0.05 0.00 -0.36 0.00 -1.23 0.00 0.00 177.57 176.03 1wgx h ALA 38 N 1.46 0.92 0.55 5.19 0.00 0.55 0.17 119.26 128.10 1wgx h ALA 38 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1wgx h ALA 38 Cb 0.99 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wgx h ALA 38 CO -0.00 0.44 -0.30 0.00 0.00 0.00 0.00 179.25 179.39 1wgx h ALA 39 N 1.64 -0.80 -0.00 0.00 0.00 0.28 1.94 119.26 122.32 1wgx h ALA 39 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1wgx h ALA 39 Cb 0.97 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1wgx h ALA 39 CO 0.05 -0.96 -0.77 0.00 0.00 0.00 0.00 179.25 177.56 1wgx h ALA 40 N -0.38 0.70 -0.24 0.00 0.00 -1.55 -2.62 119.26 115.18 1wgx h ALA 40 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1wgx h ALA 40 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wgx h ALA 40 CO 0.09 0.92 0.00 0.28 0.00 0.00 0.00 179.25 180.54 1wgx n VAL 41 N -3.66 0.32 -0.04 0.00 0.31 0.04 -4.50 118.33 110.80 1wgx n VAL 41 Ca -0.02 -0.33 0.03 0.00 -0.01 0.00 0.00 64.34 64.01 1wgx n VAL 41 Cb 0.74 0.18 0.06 0.00 -0.91 0.00 0.00 33.84 33.91 1wgx n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wgx n GLY 42 N 0.94 -0.11 0.64 2.92 0.00 0.66 0.29 105.19 110.52 1wgx n GLY 42 Ca 0.10 0.10 0.45 0.00 0.00 0.00 0.00 46.02 46.67 1wgx n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgx n SER 43 N -3.44 0.00 -2.96 1.61 2.88 -1.26 -4.42 113.62 106.02 1wgx n SER 43 Ca 0.04 0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1wgx n SER 43 Cb 0.13 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 1wgx n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wgx n ARG 44 N -3.65 0.60 -3.22 -1.46 5.12 0.83 -5.16 116.66 109.72 1wgx n ARG 44 Ca 0.37 -2.32 -0.22 0.00 -1.93 0.00 0.00 57.85 53.75 1wgx n ARG 44 Cb 1.81 1.40 0.00 0.00 -1.16 0.00 0.00 32.46 34.51 1wgx n ARG 44 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wgx s SER 45 N -2.67 6.00 0.25 0.55 0.01 -1.26 -4.90 113.70 111.69 1wgx s SER 45 Ca 0.17 0.24 0.12 0.00 1.31 0.00 0.00 55.95 57.78 1wgx s SER 45 Cb 0.01 -1.63 0.25 0.00 0.21 0.00 0.00 66.02 64.86 1wgx s SER 45 CO 0.12 -0.51 1.54 1.55 0.41 0.00 0.00 173.24 176.34 1wgx h PRO 46 N 0.62 0.00 0.00 12.44 0.13 -1.90 -2.32 132.00 140.96 1wgx h PRO 46 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1wgx h PRO 46 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wgx h PRO 46 CO 0.58 0.66 -0.04 0.93 -0.23 0.00 0.00 178.00 179.90 1wgx h GLU 47 N 0.00 0.00 0.03 0.86 5.08 -1.95 -2.98 114.58 115.62 1wgx h GLU 47 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1wgx h GLU 47 Cb 1.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1wgx h GLU 47 CO 0.09 0.04 -1.69 0.93 -1.00 0.00 0.00 179.01 177.37 1wgx h GLU 48 N 0.00 0.05 -0.12 2.33 4.39 -1.92 -3.27 114.58 116.04 1wgx h GLU 48 Ca -0.00 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.64 1wgx h GLU 48 Cb 0.71 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1wgx h GLU 48 CO 0.00 0.67 0.13 0.00 -1.16 0.00 0.00 179.01 178.65 1wgx h GLN 50 N 0.00 0.37 0.39 0.00 -0.00 -1.63 -2.60 115.11 111.63 1wgx h GLN 50 Ca 0.06 -0.57 -0.02 0.00 -0.00 0.00 0.00 58.65 58.12 1wgx h GLN 50 Cb 0.31 0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.00 1wgx h GLN 50 CO -0.00 1.25 -0.19 0.00 0.00 0.00 0.00 178.83 179.89 1wgx h ARG 51 N -0.23 -0.51 0.11 1.69 3.08 -1.16 -0.42 114.38 116.95 1wgx h ARG 51 Ca -0.15 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1wgx h ARG 51 Cb 1.67 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.82 1wgx h ARG 51 CO 0.17 -0.22 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.45 1wgx h LYS 52 N -0.76 -0.30 -0.76 0.04 1.63 -0.53 0.98 116.57 116.88 1wgx h LYS 52 Ca -0.05 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.86 1wgx h LYS 52 Cb 0.52 0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 32.10 1wgx h LYS 52 CO 0.09 -0.20 -0.48 -0.92 -3.45 0.00 0.00 179.45 174.49 1wgx h TYR 53 N -0.31 -1.46 -0.87 1.91 5.03 -1.54 0.49 116.97 120.22 1wgx h TYR 53 Ca -0.01 0.10 0.19 0.00 2.58 0.00 0.00 58.73 61.59 1wgx h TYR 53 Cb 0.28 0.74 -0.11 0.00 1.55 0.00 0.00 36.73 39.19 1wgx h TYR 53 CO -0.23 -0.41 0.38 0.52 -1.32 0.00 0.00 178.16 177.10 1wgx h MET 54 N -0.14 0.43 -0.54 1.82 2.86 -0.84 0.41 114.93 118.93 1wgx h MET 54 Ca 0.19 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1wgx h MET 54 Cb 0.53 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1wgx h MET 54 CO -0.81 0.28 0.13 0.93 1.06 0.00 0.00 176.91 178.51 1wgx h GLU 55 N 0.44 0.87 -2.57 1.72 4.39 0.24 -3.33 114.58 116.35 1wgx h GLU 55 Ca 0.52 -0.21 -0.60 0.00 0.34 0.00 0.00 59.36 59.41 1wgx h GLU 55 Cb 0.92 -0.11 -0.41 0.00 -0.10 0.00 0.00 28.75 29.05 1wgx h GLU 55 CO -0.48 0.82 -0.73 0.09 -1.16 0.00 0.00 179.01 177.55 1wgx n ASN 56 N -4.41 2.15 0.05 1.42 3.02 0.62 -4.93 115.26 113.17 1wgx n ASN 56 Ca 0.02 -3.04 -0.08 0.00 -0.03 0.00 0.00 54.58 51.45 1wgx n ASN 56 Cb 0.23 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1wgx h PRO 57 N 4.94 -0.21 -6.09 3.52 0.13 -0.47 -3.42 132.00 130.41 1wgx h PRO 57 Ca 0.18 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1wgx h PRO 57 Cb 0.78 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1wgx h PRO 57 CO 0.65 0.14 -1.01 0.54 -0.23 0.00 0.00 178.00 178.09 1wgx n ARG 58 N -4.90 -1.48 0.00 0.86 1.74 -1.26 -4.93 116.66 106.68 1wgx n ARG 58 Ca -0.06 1.44 0.00 0.00 -0.77 0.00 0.00 57.85 58.46 1wgx n ARG 58 Cb 0.22 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wgx n GLY 59 N 0.66 -1.73 3.29 -0.13 0.00 -1.26 -5.13 105.19 100.89 1wgx n GLY 59 Ca -0.01 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.53 1wgx n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wgx s LYS 60 N -0.15 0.48 1.63 1.61 2.20 -1.26 -5.13 119.74 119.12 1wgx s LYS 60 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1wgx s LYS 60 Cb 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1wgx s LYS 60 CO 0.00 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1wgx n GLY 61 N 5.39 -0.95 1.56 5.54 0.00 -1.26 -5.08 105.19 110.39 1wgx n GLY 61 Ca -0.05 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1wgx n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 62 N 0.33 -8.43 -3.63 1.61 7.64 -1.26 -4.92 113.62 104.97 1wgx n SER 62 Ca 0.00 1.50 -0.12 0.00 1.01 0.00 0.00 58.87 61.27 1wgx n SER 62 Cb 0.00 -4.85 -0.07 0.00 -1.01 0.00 0.00 64.21 58.28 1wgx n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgx s GLN 63 N -4.49 0.68 -0.05 1.43 -2.07 -1.26 -5.07 119.66 108.83 1wgx s GLN 63 Ca 0.00 0.75 -0.32 0.00 -1.82 0.00 0.00 55.36 53.98 1wgx s GLN 63 Cb 0.00 0.33 0.13 0.00 -1.09 0.00 0.00 33.01 32.38 1wgx s GLN 63 CO 0.00 -0.09 1.34 0.21 -1.32 0.00 0.00 175.29 175.43 1wgx s LYS 64 N 0.20 0.25 -0.02 9.60 2.47 -1.26 -5.17 119.74 125.81 1wgx s LYS 64 Ca 0.01 -0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.29 1wgx s LYS 64 Cb -0.05 0.09 0.01 0.00 -1.46 0.00 0.00 37.83 36.42 1wgx s LYS 64 CO -0.02 -0.11 -0.01 -1.58 0.16 0.00 0.00 175.35 173.78 1wgx s HIS 65 N -2.27 0.31 0.57 4.03 2.46 -1.26 -5.13 115.29 114.00 1wgx s HIS 65 Ca 0.14 -0.03 -0.19 0.00 0.47 0.00 0.00 55.06 55.46 1wgx s HIS 65 Cb 0.06 -0.32 -0.06 0.00 -0.13 0.00 0.00 32.58 32.12 1wgx s HIS 65 CO -0.05 -0.08 0.86 1.55 -2.47 0.00 0.00 174.74 174.55 1wgx n VAL 66 N 3.67 3.18 -4.04 0.89 3.14 -1.26 -5.01 118.33 118.90 1wgx n VAL 66 Ca -0.21 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.57 1wgx n VAL 66 Cb 0.54 -1.03 -0.11 0.00 -1.06 0.00 0.00 33.84 32.18 1wgx n VAL 66 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wgx s THR 67 N -1.54 0.30 0.51 1.55 2.01 -1.26 -5.10 115.64 112.11 1wgx s THR 67 Ca 0.72 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1wgx s THR 67 Cb -0.44 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1wgx s THR 67 CO 0.50 -0.62 0.00 -0.24 -0.69 0.00 0.00 174.62 173.57 1wgx n SER 68 N 1.06 -7.38 0.00 3.53 2.88 -1.26 -5.04 113.62 107.41 1wgx n SER 68 Ca -0.20 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wgx n SER 68 Cb 0.57 -4.35 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 1wgx n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgx n GLY 69 N -4.12 -1.72 0.09 0.46 0.00 -1.26 -5.08 105.19 93.57 1wgx n GLY 69 Ca -0.06 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 1wgx n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgx h PRO 70 N 0.00 -0.09 -2.58 1.61 0.13 -2.06 -3.50 132.00 125.51 1wgx h PRO 70 Ca 0.00 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 1wgx h PRO 70 Cb 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 1wgx h PRO 70 CO 0.00 0.50 -0.77 0.45 -0.23 0.00 0.00 178.00 177.95 1wgx n SER 71 N -4.80 -5.80 -1.68 1.44 2.88 -1.26 -5.03 113.62 99.37 1wgx n SER 71 Ca -0.08 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1wgx n SER 71 Cb 0.31 -3.38 0.00 0.00 -0.75 0.00 0.00 64.21 60.39 1wgx n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgx n SER 72 N -2.82 -7.89 0.00 -3.46 7.64 -1.26 -5.26 113.62 100.57 1wgx n SER 72 Ca -0.03 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1wgx n SER 72 Cb 0.40 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 1wgx n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64