#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 0.32 -3.92 1.61 7.64 -1.26 -5.00 113.62 113.01 1wgx n SER 2 Ca 0.00 0.31 -0.30 0.00 1.01 0.00 0.00 58.87 59.89 1wgx n SER 2 Cb 0.00 0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.15 1wgx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgx s SER 3 N -5.37 4.27 0.00 6.43 0.01 -1.26 -5.02 113.70 112.76 1wgx s SER 3 Ca 0.00 -2.82 0.00 0.00 1.31 0.00 0.00 55.95 54.44 1wgx s SER 3 Cb 0.00 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.70 1wgx s SER 3 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wgx n GLY 4 N 3.35 0.32 2.66 3.44 0.00 -1.26 -5.08 105.19 108.62 1wgx n GLY 4 Ca 0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 1wgx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 5 N 0.00 -7.60 -3.55 1.61 7.64 -1.26 -4.88 113.62 105.57 1wgx n SER 5 Ca 0.00 1.15 -0.29 0.00 1.01 0.00 0.00 58.87 60.73 1wgx n SER 5 Cb 0.00 -5.06 -0.13 0.00 -1.01 0.00 0.00 64.21 58.01 1wgx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgx s SER 6 N -1.75 3.35 0.00 6.43 0.01 -1.26 -4.95 113.70 115.54 1wgx s SER 6 Ca 0.05 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.36 1wgx s SER 6 Cb -0.02 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1wgx s SER 6 CO 0.73 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1wgx n GLY 7 N 4.38 0.13 3.69 3.44 0.00 -1.26 -5.07 105.19 110.51 1wgx n GLY 7 Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1wgx n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wgx s ASP 8 N 0.00 3.31 -1.04 1.61 1.01 -1.26 -3.93 116.67 116.38 1wgx s ASP 8 Ca 0.00 1.99 -0.07 0.00 0.71 0.00 0.00 52.55 55.18 1wgx s ASP 8 Cb 0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1wgx s ASP 8 CO 0.00 -2.82 0.90 1.17 0.21 0.00 0.00 175.17 174.62 1wgx n LYS 9 N -4.04 -2.11 -3.68 8.23 0.00 -1.26 -5.02 118.16 110.28 1wgx n LYS 9 Ca 0.10 0.87 -0.09 0.00 0.00 0.00 0.00 58.31 59.19 1wgx n LYS 9 Cb 0.53 -5.69 -0.02 0.00 0.00 0.00 0.00 35.03 29.85 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 -4.44 1.57 0.45 1.64 2.02 -1.25 -5.17 118.70 113.52 1wgx s GLU 10 Ca 0.43 -0.78 -0.04 0.00 0.02 0.00 0.00 54.97 54.61 1wgx s GLU 10 Cb -0.07 0.60 -0.03 0.00 0.10 0.00 0.00 34.13 34.73 1wgx s GLU 10 CO 0.75 -0.71 0.73 -1.58 0.02 0.00 0.00 175.26 174.47 1wgx s TRP 11 N -3.85 3.53 0.19 1.61 0.52 -1.26 -5.10 118.94 114.59 1wgx s TRP 11 Ca 0.07 0.68 0.08 0.00 0.02 0.00 0.00 56.10 56.95 1wgx s TRP 11 Cb -0.04 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1wgx s TRP 11 CO -0.01 -0.20 0.00 0.54 0.02 0.00 0.00 176.95 177.30 1wgx s ASN 12 N -4.10 4.74 0.58 2.95 2.20 -1.26 -4.91 114.94 115.15 1wgx s ASN 12 Ca 0.46 -0.44 0.35 0.00 -0.94 0.00 0.00 52.86 52.29 1wgx s ASN 12 Cb -0.10 -0.99 1.32 0.00 -2.00 0.00 0.00 41.25 39.48 1wgx s ASN 12 CO 0.43 0.07 1.52 -0.08 -2.94 0.00 0.00 177.10 176.09 1wgx h GLU 13 N 2.51 0.00 -0.23 3.55 4.81 -1.98 1.53 114.58 124.76 1wgx h GLU 13 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1wgx h GLU 13 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1wgx h GLU 13 CO 0.58 0.00 0.11 0.87 -0.73 0.00 0.00 179.01 179.84 1wgx h LYS 14 N 0.00 0.34 0.15 1.92 1.57 -1.99 -1.46 116.57 117.09 1wgx h LYS 14 Ca 0.60 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1wgx h LYS 14 Cb 2.89 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 35.14 1wgx h LYS 14 CO -0.01 0.35 -0.07 0.93 -0.57 0.00 0.00 179.45 180.08 1wgx h GLU 15 N 0.24 -0.19 -0.25 3.15 4.39 0.17 -2.95 114.58 119.14 1wgx h GLU 15 Ca 0.08 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1wgx h GLU 15 Cb 0.13 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1wgx h GLU 15 CO -0.01 0.18 -0.15 1.28 -1.16 0.00 0.00 179.01 179.16 1wgx n LEU 16 N -4.89 -0.27 -0.32 1.33 7.99 -0.25 0.20 117.00 120.79 1wgx n LEU 16 Ca -0.06 1.19 0.19 0.00 -0.01 0.00 0.00 56.01 57.32 1wgx n LEU 16 Cb 0.23 -0.43 0.40 0.00 -0.11 0.00 0.00 43.42 43.51 1wgx n LEU 16 CO 0.20 -0.74 1.08 0.06 -1.51 0.00 0.00 177.39 176.47 1wgx h GLN 17 N 0.00 0.34 0.01 3.23 3.07 -1.41 0.75 115.11 121.10 1wgx h GLN 17 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 1wgx h GLN 17 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1wgx h GLN 17 CO -0.24 0.23 -0.00 0.87 0.09 0.00 0.00 178.83 179.77 1wgx h LYS 18 N 0.35 -0.01 0.32 0.06 1.57 0.89 1.50 116.57 121.24 1wgx h LYS 18 Ca 0.66 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.44 1wgx h LYS 18 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 1wgx h LYS 18 CO -0.59 0.24 -0.29 1.25 -0.57 0.00 0.00 179.45 179.49 1wgx h LEU 19 N -0.26 -0.77 0.75 2.94 5.85 0.63 0.43 115.31 124.88 1wgx h LEU 19 Ca -0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1wgx h LEU 19 Cb 0.25 0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1wgx h LEU 19 CO 0.00 -0.42 -0.36 0.45 -0.34 0.00 0.00 178.44 177.77 1wgx h HIS 20 N -0.63 -0.93 0.00 1.25 3.86 0.30 0.33 115.15 119.34 1wgx h HIS 20 Ca -0.02 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1wgx h HIS 20 Cb 0.56 0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1wgx h HIS 20 CO -0.17 -0.56 0.00 0.00 0.86 0.00 0.00 177.93 178.06 1wgx h ALA 22 N -1.30 -0.18 -0.98 0.00 0.00 -0.18 1.74 119.26 118.36 1wgx h ALA 22 Ca 0.00 0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.34 1wgx h ALA 22 Cb 0.00 0.96 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1wgx h ALA 22 CO 0.00 -0.76 0.69 0.35 0.00 0.00 0.00 179.25 179.53 1wgx h PHE 23 N -0.16 0.14 0.00 0.00 3.04 0.95 1.37 116.94 122.29 1wgx h PHE 23 Ca 0.22 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 1wgx h PHE 23 Cb 0.56 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1wgx h PHE 23 CO -0.74 0.02 -0.37 0.00 -2.02 0.00 0.00 178.31 175.20 1wgx h ALA 24 N 1.54 0.05 -0.04 2.41 0.00 0.99 -3.38 119.26 120.82 1wgx h ALA 24 Ca 0.48 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1wgx h ALA 24 Cb 1.75 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 1wgx h ALA 24 CO -0.06 0.26 -0.27 0.77 0.00 0.00 0.00 179.25 179.95 1wgx h SER 25 N -1.00 -0.83 -3.97 0.00 0.02 0.28 -3.41 113.55 104.65 1wgx h SER 25 Ca -0.06 0.12 -0.46 0.00 -0.84 0.00 0.00 61.79 60.55 1wgx h SER 25 Cb 0.59 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1wgx h SER 25 CO -0.04 -0.33 0.34 -0.76 -1.14 0.00 0.00 176.83 174.90 1wgx s LEU 26 N -10.38 4.15 0.55 5.07 1.43 0.46 -5.04 118.68 114.92 1wgx s LEU 26 Ca -0.15 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 1wgx s LEU 26 Cb 0.10 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 1wgx s LEU 26 CO 0.66 -0.22 1.04 -2.16 0.23 0.00 0.00 176.35 175.91 1wgx s PRO 27 N -2.59 3.53 0.04 1.29 0.04 -1.26 -4.61 135.00 131.43 1wgx s PRO 27 Ca 0.56 1.23 0.23 0.00 0.04 0.00 0.00 61.00 63.06 1wgx s PRO 27 Cb -0.14 -2.06 0.19 0.00 0.04 0.00 0.00 34.50 32.52 1wgx s PRO 27 CO 0.19 -0.64 1.16 1.63 0.04 0.00 0.00 177.00 179.38 1wgx n LYS 28 N -1.65 0.17 0.05 4.56 4.01 -1.26 -3.68 118.16 120.36 1wgx n LYS 28 Ca 0.09 0.01 0.12 0.00 -0.51 0.00 0.00 58.31 58.02 1wgx n LYS 28 Cb 0.53 -1.57 0.48 0.00 -0.51 0.00 0.00 35.03 33.96 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 -1.79 0.40 -1.24 2.13 1.44 -1.26 -4.82 115.22 110.08 1wgx n HIS 29 Ca 0.03 0.13 -0.31 0.00 -2.01 0.00 0.00 57.72 55.56 1wgx n HIS 29 Cb 0.40 -0.71 0.10 0.00 0.12 0.00 0.00 29.99 29.89 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 -3.08 2.11 0.00 -1.40 1.02 -1.24 -5.01 119.74 112.14 1wgx s LYS 30 Ca 0.10 1.30 0.00 0.00 0.02 0.00 0.00 55.97 57.39 1wgx s LYS 30 Cb 0.14 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1wgx s LYS 30 CO 0.49 -1.77 0.24 -0.35 -0.92 0.00 0.00 175.35 173.04 1wgx n PRO 31 N -3.45 0.00 -1.06 -1.68 -0.04 -1.26 -4.02 135.00 123.49 1wgx n PRO 31 Ca 0.10 0.49 -0.14 0.00 -0.04 0.00 0.00 63.50 63.91 1wgx n PRO 31 Cb 0.53 -1.11 -0.15 0.00 -0.04 0.00 0.00 33.50 32.72 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 1.27 3.19 0.20 0.55 0.00 -1.26 -4.57 105.19 104.56 1wgx n GLY 32 Ca 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.72 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 2.95 0.10 -0.34 1.61 3.57 -1.89 0.24 116.94 123.18 1wgx h PHE 33 Ca 0.22 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1wgx h PHE 33 Cb 1.39 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 1wgx h PHE 33 CO 1.70 -0.04 0.21 -1.49 -2.23 0.00 0.00 178.31 176.46 1wgx h TRP 34 N 0.20 0.39 -0.73 0.41 -0.00 -1.87 0.26 115.95 114.60 1wgx h TRP 34 Ca 0.25 0.01 0.10 0.00 -0.00 0.00 0.00 58.89 59.25 1wgx h TRP 34 Cb 0.35 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.33 1wgx h TRP 34 CO -0.25 0.23 0.48 0.66 -0.00 0.00 0.00 178.44 179.56 1wgx h SER 35 N 0.42 0.56 0.29 -3.49 4.64 -1.44 0.56 113.55 115.09 1wgx h SER 35 Ca 0.13 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1wgx h SER 35 Cb -0.02 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1wgx h SER 35 CO -0.05 0.33 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.77 1wgx h GLU 36 N 0.62 -0.38 -0.26 4.77 5.08 0.83 -2.66 114.58 122.58 1wgx h GLU 36 Ca 0.34 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.80 1wgx h GLU 36 Cb 0.49 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wgx h GLU 36 CO -0.12 -0.25 0.39 -0.39 -1.00 0.00 0.00 179.01 177.64 1wgx h VAL 37 N -0.81 0.26 0.00 3.13 -1.51 -0.32 1.61 116.25 118.60 1wgx h VAL 37 Ca -0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.37 1wgx h VAL 37 Cb 0.30 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 1wgx h VAL 37 CO 0.07 0.00 -0.31 0.00 -1.23 0.00 0.00 177.57 176.10 1wgx h ALA 38 N 1.46 0.91 0.63 5.19 0.00 0.17 -0.27 119.26 127.35 1wgx h ALA 38 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wgx h ALA 38 Cb 0.90 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wgx h ALA 38 CO -0.00 0.39 -0.30 0.00 0.00 0.00 0.00 179.25 179.33 1wgx h ALA 39 N 1.69 -0.85 0.00 0.00 0.00 0.27 1.91 119.26 122.29 1wgx h ALA 39 Ca -0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1wgx h ALA 39 Cb 0.97 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1wgx h ALA 39 CO 0.04 -0.97 -0.65 0.00 0.00 0.00 0.00 179.25 177.66 1wgx h ALA 40 N -0.48 0.80 -0.32 0.00 0.00 -1.56 -2.53 119.26 115.17 1wgx h ALA 40 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1wgx h ALA 40 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wgx h ALA 40 CO 0.14 0.82 0.00 0.28 0.00 0.00 0.00 179.25 180.49 1wgx n VAL 41 N -3.59 0.42 -0.04 0.00 0.31 -0.12 -4.53 118.33 110.79 1wgx n VAL 41 Ca -0.00 -0.45 0.03 0.00 -0.01 0.00 0.00 64.34 63.91 1wgx n VAL 41 Cb 0.68 0.26 0.05 0.00 -0.91 0.00 0.00 33.84 33.92 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 1.07 -0.11 0.64 2.92 0.00 0.65 0.30 105.19 110.65 1wgx n GLY 42 Ca 0.12 0.10 0.44 0.00 0.00 0.00 0.00 46.02 46.68 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 -3.47 0.00 -2.88 1.61 2.88 -1.26 -4.42 113.62 106.08 1wgx n SER 43 Ca 0.04 0.89 -0.15 0.00 -1.33 0.00 0.00 58.87 58.31 1wgx n SER 43 Cb 0.12 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.12 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 -3.64 0.60 -3.20 -1.46 5.12 0.87 -5.16 116.66 109.79 1wgx n ARG 44 Ca 0.37 -2.20 -0.22 0.00 -1.93 0.00 0.00 57.85 53.87 1wgx n ARG 44 Cb 1.81 1.34 0.00 0.00 -1.16 0.00 0.00 32.46 34.45 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 -2.59 5.95 0.27 0.55 0.01 -1.26 -4.89 113.70 111.73 1wgx s SER 45 Ca 0.16 0.18 0.12 0.00 1.31 0.00 0.00 55.95 57.73 1wgx s SER 45 Cb 0.01 -1.54 0.28 0.00 0.21 0.00 0.00 66.02 64.98 1wgx s SER 45 CO 0.11 -0.56 1.55 1.55 0.41 0.00 0.00 173.24 176.31 1wgx h PRO 46 N 0.60 0.00 0.00 12.44 0.13 -1.90 -2.33 132.00 140.93 1wgx h PRO 46 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1wgx h PRO 46 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1wgx h PRO 46 CO 0.57 0.62 -0.20 0.93 -0.23 0.00 0.00 178.00 179.69 1wgx h GLU 47 N 0.00 0.00 0.11 0.86 5.08 -1.95 -3.04 114.58 115.65 1wgx h GLU 47 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1wgx h GLU 47 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1wgx h GLU 47 CO 0.08 0.20 -1.65 0.93 -1.00 0.00 0.00 179.01 177.57 1wgx h GLU 48 N 0.00 0.24 -0.46 2.33 5.08 -1.92 -3.22 114.58 116.62 1wgx h GLU 48 Ca -0.00 -0.41 0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1wgx h GLU 48 Cb 0.79 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1wgx h GLU 48 CO 0.03 1.09 0.45 0.00 -1.00 0.00 0.00 179.01 179.57 1wgx h GLN 50 N 0.00 -0.05 -0.31 0.00 4.15 -1.61 -2.80 115.11 114.49 1wgx h GLN 50 Ca 0.22 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.71 1wgx h GLN 50 Cb 1.12 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.74 1wgx h GLN 50 CO -0.00 0.31 -0.34 0.00 -1.93 0.00 0.00 178.83 176.87 1wgx h ARG 51 N -0.99 -0.30 0.06 1.69 3.08 -1.21 0.16 114.38 116.86 1wgx h ARG 51 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wgx h ARG 51 Cb 0.39 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1wgx h ARG 51 CO 0.01 -0.20 -0.13 -0.22 -1.07 0.00 0.00 179.97 178.36 1wgx h LYS 52 N -0.32 -0.19 -0.95 0.04 1.63 -1.03 0.32 116.57 116.07 1wgx h LYS 52 Ca 0.14 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.05 1wgx h LYS 52 Cb 0.55 0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 32.10 1wgx h LYS 52 CO -0.48 -0.13 -0.52 0.98 -3.45 0.00 0.00 179.45 175.85 1wgx n TYR 53 N -3.14 -0.34 -0.29 1.91 4.19 -1.03 0.10 117.16 118.58 1wgx n TYR 53 Ca -0.02 1.18 0.06 0.00 3.31 0.00 0.00 57.90 62.42 1wgx n TYR 53 Cb 0.10 -0.63 0.20 0.00 0.49 0.00 0.00 39.34 39.51 1wgx n TYR 53 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 1wgx h MET 54 N 0.00 0.62 -0.24 2.98 2.86 -0.41 0.51 114.93 121.25 1wgx h MET 54 Ca 0.18 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1wgx h MET 54 Cb 0.42 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1wgx h MET 54 CO -0.90 0.41 0.05 0.93 1.06 0.00 0.00 176.91 178.46 1wgx h GLU 55 N 0.64 0.39 -2.64 1.72 4.39 0.46 -3.34 114.58 116.20 1wgx h GLU 55 Ca 0.43 -0.10 -0.60 0.00 0.34 0.00 0.00 59.36 59.43 1wgx h GLU 55 Cb 0.56 -0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 28.75 1wgx h GLU 55 CO -0.33 0.51 -0.69 0.09 -1.16 0.00 0.00 179.01 177.42 1wgx n ASN 56 N -4.72 2.36 0.07 1.42 3.02 0.28 -4.93 115.26 112.76 1wgx n ASN 56 Ca -0.03 -3.08 -0.07 0.00 -0.03 0.00 0.00 54.58 51.37 1wgx n ASN 56 Cb 0.19 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.62 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 5.00 -0.26 -5.19 3.52 0.13 -0.17 -3.41 132.00 131.62 1wgx h PRO 57 Ca 0.18 0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.96 1wgx h PRO 57 Cb 0.77 0.06 -0.17 0.00 0.13 0.00 0.00 31.00 31.79 1wgx h PRO 57 CO 0.67 -0.03 -0.73 -0.98 -0.23 0.00 0.00 178.00 176.70 1wgx s ARG 58 N -2.78 1.01 0.01 0.86 1.70 -1.26 -5.05 118.95 113.44 1wgx s ARG 58 Ca -0.08 -1.31 -0.18 0.00 -0.47 0.00 0.00 55.73 53.69 1wgx s ARG 58 Cb 0.00 -0.72 -0.06 0.00 -0.57 0.00 0.00 34.95 33.60 1wgx s ARG 58 CO 0.26 0.12 0.51 0.20 -1.08 0.00 0.00 175.30 175.31 1wgx s GLY 59 N -2.75 2.57 0.16 3.88 0.00 -1.26 -4.94 107.32 104.98 1wgx s GLY 59 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1wgx s GLY 59 CO 0.02 0.47 0.00 1.17 0.00 0.00 0.00 173.10 174.76 1wgx n LYS 60 N 2.22 0.00 -3.54 2.90 4.81 -1.26 -4.97 118.16 118.32 1wgx n LYS 60 Ca -0.10 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.00 1wgx n LYS 60 Cb 0.51 -0.08 -0.06 0.00 0.02 0.00 0.00 35.03 35.42 1wgx n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wgx n GLY 61 N 1.98 4.40 3.21 3.14 0.00 -1.26 -5.01 105.19 111.64 1wgx n GLY 61 Ca 0.00 -2.64 -0.13 0.00 0.00 0.00 0.00 46.02 43.25 1wgx n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgx s SER 62 N -1.01 -0.22 -0.34 1.61 0.15 -1.26 -5.12 113.70 107.50 1wgx s SER 62 Ca 0.30 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.94 1wgx s SER 62 Cb -0.01 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1wgx s SER 62 CO -0.08 -0.30 1.09 0.00 1.20 0.00 0.00 173.24 175.15 1wgx s GLN 63 N -0.73 4.01 0.02 5.44 -2.07 -1.26 -5.02 119.66 120.06 1wgx s GLN 63 Ca -0.08 1.00 0.08 0.00 -1.82 0.00 0.00 55.36 54.53 1wgx s GLN 63 Cb -0.04 -3.76 -0.02 0.00 -1.09 0.00 0.00 33.01 28.09 1wgx s GLN 63 CO 0.02 -0.98 -0.23 0.15 -1.32 0.00 0.00 175.29 172.93 1wgx s LYS 64 N 3.78 1.70 0.12 9.60 1.02 -1.26 -5.14 119.74 129.57 1wgx s LYS 64 Ca 0.46 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 55.41 1wgx s LYS 64 Cb -0.11 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 1wgx s LYS 64 CO 0.18 0.47 0.22 -1.01 -0.92 0.00 0.00 175.35 174.29 1wgx s HIS 65 N -0.70 0.28 -0.38 3.18 3.76 -1.26 -5.01 115.29 115.15 1wgx s HIS 65 Ca 0.09 -0.68 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 1wgx s HIS 65 Cb -0.09 -0.07 0.01 0.00 1.11 0.00 0.00 32.58 33.54 1wgx s HIS 65 CO 0.01 -0.61 0.44 0.28 -0.85 0.00 0.00 174.74 174.01 1wgx n VAL 66 N -0.12-10.92 0.17 -0.90 0.31 -1.26 -4.99 118.33 100.61 1wgx n VAL 66 Ca -0.12 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.28 1wgx n VAL 66 Cb 0.63 -7.08 0.00 0.00 -0.91 0.00 0.00 33.84 26.47 1wgx n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1wgx n THR 67 N -0.08 0.00 -2.10 2.52 -1.04 -1.26 -5.12 114.28 107.20 1wgx n THR 67 Ca 0.09 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.73 1wgx n THR 67 Cb 0.34 -0.21 0.01 0.00 -1.82 0.00 0.00 70.33 68.65 1wgx n THR 67 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1wgx s SER 68 N -3.34 5.66 0.00 8.00 0.15 -1.26 -4.88 113.70 118.02 1wgx s SER 68 Ca 0.00 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.05 1wgx s SER 68 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1wgx s SER 68 CO 0.00 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.77 1wgx n GLY 69 N 0.47 2.71 3.82 9.45 0.00 -1.26 -5.06 105.19 115.32 1wgx n GLY 69 Ca 0.10 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1wgx n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgx s PRO 70 N -3.05 2.81 -0.44 1.61 0.04 -1.26 -5.03 135.00 129.68 1wgx s PRO 70 Ca 0.00 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 61.88 1wgx s PRO 70 Cb 0.00 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1wgx s PRO 70 CO 0.00 -1.18 0.28 0.45 0.04 0.00 0.00 177.00 176.59 1wgx s SER 71 N -3.81 5.53 -0.14 6.66 0.15 -1.26 -5.04 113.70 115.79 1wgx s SER 71 Ca 0.58 -1.90 -0.12 0.00 0.70 0.00 0.00 55.95 55.22 1wgx s SER 71 Cb -0.14 -1.94 0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1wgx s SER 71 CO 0.55 -0.62 0.36 -0.55 1.20 0.00 0.00 173.24 174.18 1wgx s SER 72 N 2.30 -0.38 0.00 5.45 0.15 -1.26 -5.34 113.70 114.62 1wgx s SER 72 Ca 0.06 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1wgx s SER 72 Cb -0.25 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wgx s SER 72 CO -0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.90