#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 -1.81 -2.12 1.61 2.88 -1.26 -5.10 113.62 107.83 1wgx n SER 2 Ca 0.00 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 1wgx n SER 2 Cb 0.00 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1wgx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgx n SER 3 N 2.50 -8.60 -3.10 -3.46 7.64 -1.26 -4.99 113.62 102.36 1wgx n SER 3 Ca 0.11 1.54 -0.16 0.00 1.01 0.00 0.00 58.87 61.38 1wgx n SER 3 Cb 0.64 -4.71 0.15 0.00 -1.01 0.00 0.00 64.21 59.27 1wgx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgx n GLY 4 N 1.65 -3.65 3.45 0.23 0.00 -1.26 -4.87 105.19 100.72 1wgx n GLY 4 Ca 0.00 -1.30 -0.44 0.00 0.00 0.00 0.00 46.02 44.28 1wgx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgx s SER 5 N -2.64 7.01 -0.38 1.61 0.15 -1.26 -4.83 113.70 113.36 1wgx s SER 5 Ca 0.35 -2.88 0.05 0.00 0.70 0.00 0.00 55.95 54.17 1wgx s SER 5 Cb -0.06 -2.38 0.17 0.00 -1.71 0.00 0.00 66.02 62.05 1wgx s SER 5 CO 0.29 -0.75 0.49 -0.55 1.20 0.00 0.00 173.24 173.92 1wgx s SER 6 N 2.81 -0.11 0.00 5.45 0.15 -1.26 -5.12 113.70 115.62 1wgx s SER 6 Ca 0.39 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1wgx s SER 6 Cb -0.04 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1wgx s SER 6 CO -0.03 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wgx n GLY 7 N 4.37 0.61 3.37 9.45 0.00 -1.26 -4.90 105.19 116.83 1wgx n GLY 7 Ca 0.11 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.83 0.95 0.00 1.61 1.11 -1.26 -5.04 116.67 110.21 1wgx s ASP 8 Ca 0.00 -1.52 0.00 0.00 0.18 0.00 0.00 52.55 51.21 1wgx s ASP 8 Cb 0.00 0.56 0.00 0.00 1.07 0.00 0.00 42.92 44.55 1wgx s ASP 8 CO 0.00 -1.11 0.00 1.17 1.18 0.00 0.00 175.17 176.41 1wgx n LYS 9 N -0.51 1.45 -0.54 8.23 4.81 -1.26 -4.94 118.16 125.40 1wgx n LYS 9 Ca 0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.18 1wgx n LYS 9 Cb 0.63 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.89 1wgx n LYS 9 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wgx n GLU 10 N 0.00 -2.38 -1.79 1.64 1.02 -1.26 -5.01 120.64 112.86 1wgx n GLU 10 Ca 0.00 -0.68 -0.21 0.00 -0.02 0.00 0.00 57.16 56.25 1wgx n GLU 10 Cb 0.00 -1.84 0.13 0.00 -0.02 0.00 0.00 31.44 29.71 1wgx n GLU 10 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1wgx n TRP 11 N -4.80 -3.55 -4.41 -0.32 7.02 -1.26 -5.11 117.44 105.01 1wgx n TRP 11 Ca 0.03 -1.13 -0.24 0.00 -1.02 0.00 0.00 57.50 55.13 1wgx n TRP 11 Cb 0.57 -0.69 -0.09 0.00 -2.42 0.00 0.00 31.31 28.68 1wgx n TRP 11 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1wgx s ASN 12 N -4.50 3.96 0.24 -0.99 2.20 -1.26 -4.93 114.94 109.65 1wgx s ASN 12 Ca 0.55 -0.97 -0.11 0.00 -0.94 0.00 0.00 52.86 51.39 1wgx s ASN 12 Cb -0.02 -0.48 0.33 0.00 -2.00 0.00 0.00 41.25 39.08 1wgx s ASN 12 CO 0.38 -0.08 1.60 -0.08 -2.94 0.00 0.00 177.10 175.98 1wgx h GLU 13 N 2.03 0.01 -0.58 3.55 4.81 -1.99 0.91 114.58 123.31 1wgx h GLU 13 Ca -0.42 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.93 1wgx h GLU 13 Cb 1.25 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.53 1wgx h GLU 13 CO 0.64 0.00 -0.01 0.87 -0.73 0.00 0.00 179.01 179.78 1wgx h LYS 14 N 0.01 0.11 0.03 1.92 1.57 -1.98 0.79 116.57 119.01 1wgx h LYS 14 Ca 0.37 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1wgx h LYS 14 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1wgx h LYS 14 CO -0.78 0.07 -0.01 0.93 -0.57 0.00 0.00 179.45 179.09 1wgx h GLU 15 N 0.11 -0.03 0.00 3.15 5.08 -0.45 -2.28 114.58 120.16 1wgx h GLU 15 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1wgx h GLU 15 Cb 0.47 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wgx h GLU 15 CO -0.50 0.34 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.77 1wgx h LEU 16 N -0.41 -0.01 -1.11 1.33 -0.00 0.16 0.60 115.31 115.87 1wgx h LEU 16 Ca -0.00 0.00 0.43 0.00 -0.00 0.00 0.00 57.88 58.31 1wgx h LEU 16 Cb 0.39 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 40.88 1wgx h LEU 16 CO 0.01 -0.00 0.64 0.06 -0.00 0.00 0.00 178.44 179.14 1wgx h GLN 17 N -0.01 0.01 -0.09 1.13 3.07 0.46 1.66 115.11 121.34 1wgx h GLN 17 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1wgx h GLN 17 Cb 0.01 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 1wgx h GLN 17 CO -0.00 0.00 -0.02 0.87 0.09 0.00 0.00 178.83 179.78 1wgx h LYS 18 N 0.01 0.17 0.42 0.06 1.57 -0.66 1.10 116.57 119.24 1wgx h LYS 18 Ca 0.86 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.56 1wgx h LYS 18 Cb 2.41 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.71 1wgx h LYS 18 CO -0.68 0.48 -0.21 1.25 -0.57 0.00 0.00 179.45 179.71 1wgx h LEU 19 N -0.16 -0.51 0.70 2.94 5.85 0.77 0.97 115.31 125.87 1wgx h LEU 19 Ca 0.02 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1wgx h LEU 19 Cb 0.41 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1wgx h LEU 19 CO 0.01 -0.36 -0.34 0.45 -0.34 0.00 0.00 178.44 177.86 1wgx h HIS 20 N -0.58 -0.87 0.00 1.25 3.86 0.04 0.57 115.15 119.42 1wgx h HIS 20 Ca -0.06 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1wgx h HIS 20 Cb 0.46 0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1wgx h HIS 20 CO -0.06 -0.53 0.00 0.00 0.86 0.00 0.00 177.93 178.21 1wgx h ALA 22 N -1.14 -0.15 -1.03 0.00 0.00 -0.82 1.67 119.26 117.78 1wgx h ALA 22 Ca 0.00 0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.31 1wgx h ALA 22 Cb 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1wgx h ALA 22 CO 0.00 -0.71 0.73 0.35 0.00 0.00 0.00 179.25 179.63 1wgx h PHE 23 N -0.24 0.11 0.00 0.00 3.04 0.18 1.44 116.94 121.47 1wgx h PHE 23 Ca 0.18 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.06 1wgx h PHE 23 Cb 0.53 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1wgx h PHE 23 CO -0.53 0.01 -0.58 0.00 -2.02 0.00 0.00 178.31 175.19 1wgx h ALA 24 N 1.50 0.08 -0.06 2.41 0.00 0.75 -3.39 119.26 120.56 1wgx h ALA 24 Ca 0.51 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wgx h ALA 24 Cb 1.89 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 1wgx h ALA 24 CO -0.05 0.41 -0.27 1.03 0.00 0.00 0.00 179.25 180.37 1wgx h SER 25 N -1.00 -0.81 -3.95 0.00 0.87 0.31 -3.41 113.55 105.56 1wgx h SER 25 Ca -0.11 0.12 -0.47 0.00 -1.23 0.00 0.00 61.79 60.10 1wgx h SER 25 Cb 0.74 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1wgx h SER 25 CO -0.07 -0.32 0.36 -0.76 -0.53 0.00 0.00 176.83 175.51 1wgx s LEU 26 N -10.39 4.18 0.54 2.23 1.43 0.49 -5.03 118.68 112.12 1wgx s LEU 26 Ca -0.15 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 54.64 1wgx s LEU 26 Cb 0.10 -4.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.06 1wgx s LEU 26 CO 0.66 -0.27 1.04 -2.16 0.23 0.00 0.00 176.35 175.85 1wgx s PRO 27 N -2.47 3.57 0.00 1.29 0.04 -1.26 -4.64 135.00 131.53 1wgx s PRO 27 Ca 0.55 1.25 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1wgx s PRO 27 Cb -0.17 -2.07 0.77 0.00 0.04 0.00 0.00 34.50 33.07 1wgx s PRO 27 CO 0.22 -0.61 1.58 1.63 0.04 0.00 0.00 177.00 179.87 1wgx n LYS 28 N -1.55 1.63 0.10 4.56 4.01 -1.26 -3.62 118.16 122.02 1wgx n LYS 28 Ca 0.09 -1.07 0.12 0.00 -0.51 0.00 0.00 58.31 56.93 1wgx n LYS 28 Cb 0.53 -1.48 0.13 0.00 -0.51 0.00 0.00 35.03 33.70 1wgx n LYS 28 CO 0.00 0.00 0.00 1.12 -1.11 0.00 0.00 177.40 177.41 1wgx h HIS 29 N 2.62 0.00 -4.26 2.13 2.07 -2.00 -3.47 115.15 112.25 1wgx h HIS 29 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1wgx h HIS 29 Cb 0.61 0.00 0.18 0.00 2.57 0.00 0.00 27.41 30.77 1wgx h HIS 29 CO 0.00 0.00 0.25 0.15 -3.07 0.00 0.00 177.93 175.26 1wgx s LYS 30 N -3.23 1.32 0.00 5.12 1.02 -1.24 -5.00 119.74 117.73 1wgx s LYS 30 Ca 0.04 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.46 1wgx s LYS 30 Cb 0.11 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1wgx s LYS 30 CO 0.73 -2.38 0.23 -0.35 -0.92 0.00 0.00 175.35 172.65 1wgx n PRO 31 N -4.05 0.00 -1.05 -1.68 -0.04 -1.26 -4.04 135.00 122.87 1wgx n PRO 31 Ca 0.11 0.40 -0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1wgx n PRO 31 Cb 0.52 -1.03 -0.16 0.00 -0.04 0.00 0.00 33.50 32.80 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 3.15 0.36 0.55 0.00 -1.26 -4.56 105.19 104.78 1wgx n GLY 32 Ca 0.00 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 3.04 1.05 -0.00 1.61 3.57 -1.89 0.63 116.94 124.95 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 1.42 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1wgx h PHE 33 CO 1.76 0.34 0.00 -1.49 -2.23 0.00 0.00 178.31 176.69 1wgx h TRP 34 N 0.84 0.00 -0.74 0.41 -0.00 -1.87 0.40 115.95 114.98 1wgx h TRP 34 Ca 0.52 -0.00 0.18 0.00 -0.00 0.00 0.00 58.89 59.59 1wgx h TRP 34 Cb 0.71 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.83 1wgx h TRP 34 CO -0.00 0.27 0.51 0.66 -0.00 0.00 0.00 178.44 179.88 1wgx h SER 35 N -0.27 0.22 0.20 -3.49 4.64 -1.40 0.64 113.55 114.08 1wgx h SER 35 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1wgx h SER 35 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1wgx h SER 35 CO 0.00 0.10 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.64 1wgx h GLU 36 N 0.23 -0.25 -0.27 4.77 5.08 -0.41 -2.77 114.58 120.95 1wgx h GLU 36 Ca 0.36 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.82 1wgx h GLU 36 Cb 1.10 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wgx h GLU 36 CO -0.08 -0.17 0.40 -0.39 -1.00 0.00 0.00 179.01 177.77 1wgx h VAL 37 N -0.69 0.27 0.00 3.13 -1.51 -0.52 1.61 116.25 118.54 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 0.20 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1wgx h VAL 37 CO 0.04 0.00 -0.33 0.00 -1.23 0.00 0.00 177.57 176.05 1wgx h ALA 38 N 1.46 0.92 0.65 5.19 0.00 0.29 0.20 119.26 127.97 1wgx h ALA 38 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1wgx h ALA 38 Cb 0.93 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1wgx h ALA 38 CO -0.00 0.41 -0.32 0.00 0.00 0.00 0.00 179.25 179.35 1wgx h ALA 39 N 1.67 -0.88 -0.00 0.00 0.00 0.27 1.93 119.26 122.24 1wgx h ALA 39 Ca -0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1wgx h ALA 39 Cb 0.97 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1wgx h ALA 39 CO 0.04 -1.00 -0.75 0.00 0.00 0.00 0.00 179.25 177.55 1wgx h ALA 40 N -0.53 0.74 -0.27 0.00 0.00 -1.56 -2.58 119.26 115.07 1wgx h ALA 40 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1wgx h ALA 40 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wgx h ALA 40 CO 0.15 0.91 0.00 0.28 0.00 0.00 0.00 179.25 180.58 1wgx n VAL 41 N -3.67 0.36 -0.03 0.00 0.31 0.06 -4.51 118.33 110.83 1wgx n VAL 41 Ca -0.01 -0.38 0.03 0.00 -0.01 0.00 0.00 64.34 63.97 1wgx n VAL 41 Cb 0.73 0.20 0.05 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 0.98 -0.10 0.64 2.92 0.00 0.65 0.29 105.19 110.57 1wgx n GLY 42 Ca 0.11 0.09 0.46 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 -3.45 0.00 -2.96 1.61 2.88 -1.26 -4.42 113.62 106.02 1wgx n SER 43 Ca 0.03 0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1wgx n SER 43 Cb 0.11 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 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 -3.67 0.62 -3.14 -1.46 5.12 0.84 -5.16 116.66 109.81 1wgx n ARG 44 Ca 0.38 -2.28 -0.22 0.00 -1.93 0.00 0.00 57.85 53.80 1wgx n ARG 44 Cb 1.81 1.34 0.01 0.00 -1.16 0.00 0.00 32.46 34.46 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 -2.64 5.92 0.22 0.55 0.01 -1.26 -4.90 113.70 111.60 1wgx s SER 45 Ca 0.16 0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.73 1wgx s SER 45 Cb 0.01 -1.54 0.16 0.00 0.21 0.00 0.00 66.02 64.86 1wgx s SER 45 CO 0.11 -0.59 1.50 1.55 0.41 0.00 0.00 173.24 176.22 1wgx h PRO 46 N 0.55 0.00 0.00 12.44 0.13 -1.90 -2.43 132.00 140.78 1wgx h PRO 46 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 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 0.75 -0.28 0.93 -0.23 0.00 0.00 178.00 179.73 1wgx h GLU 47 N 0.00 0.00 0.13 0.86 5.08 -1.95 -2.94 114.58 115.76 1wgx h GLU 47 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1wgx h GLU 47 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wgx h GLU 47 CO 0.10 0.28 -1.47 0.93 -1.00 0.00 0.00 179.01 177.85 1wgx h GLU 48 N 0.00 0.26 -0.76 2.33 5.08 -1.93 -3.20 114.58 116.36 1wgx h GLU 48 Ca -0.00 -0.45 0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1wgx h GLU 48 Cb 0.77 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1wgx h GLU 48 CO 0.04 1.15 0.54 0.00 -1.00 0.00 0.00 179.01 179.74 1wgx h GLN 50 N 0.05 -0.12 -0.53 0.00 4.15 -1.59 -2.06 115.11 115.01 1wgx h GLN 50 Ca 0.37 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.86 1wgx h GLN 50 Cb 1.40 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 29.06 1wgx h GLN 50 CO -0.02 0.39 0.22 0.00 -1.93 0.00 0.00 178.83 177.49 1wgx h ARG 51 N -0.88 0.40 0.37 1.69 3.08 -1.10 0.61 114.38 118.55 1wgx h ARG 51 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1wgx h ARG 51 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1wgx h ARG 51 CO 0.02 0.27 -0.21 -0.22 -1.07 0.00 0.00 179.97 178.76 1wgx h LYS 52 N 0.42 -0.52 -0.85 0.04 1.63 -0.14 -2.91 116.57 114.24 1wgx h LYS 52 Ca 0.25 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.23 1wgx h LYS 52 Cb 0.25 0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 31.85 1wgx h LYS 52 CO -0.23 -0.35 -0.36 -0.92 -3.45 0.00 0.00 179.45 174.14 1wgx h TYR 53 N -0.54 -0.99 -0.99 1.91 3.20 -1.19 0.49 116.97 118.85 1wgx h TYR 53 Ca -0.05 0.09 0.34 0.00 3.14 0.00 0.00 58.73 62.25 1wgx h TYR 53 Cb 0.43 0.56 -0.18 0.00 1.54 0.00 0.00 36.73 39.07 1wgx h TYR 53 CO 0.05 -0.40 0.26 0.52 -1.64 0.00 0.00 178.16 176.96 1wgx h MET 54 N -0.06 0.01 -0.12 1.82 2.86 -0.77 0.93 114.93 119.60 1wgx h MET 54 Ca 0.31 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1wgx h MET 54 Cb 0.59 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1wgx h MET 54 CO -0.88 0.01 0.02 0.93 1.06 0.00 0.00 176.91 178.05 1wgx h GLU 55 N 0.01 0.20 -2.68 1.72 4.39 0.16 -3.34 114.58 115.04 1wgx h GLU 55 Ca 0.71 -0.05 -0.61 0.00 0.34 0.00 0.00 59.36 59.75 1wgx h GLU 55 Cb 1.68 -0.02 -0.41 0.00 -0.10 0.00 0.00 28.75 29.89 1wgx h GLU 55 CO -0.85 0.40 -0.66 0.27 -1.16 0.00 0.00 179.01 177.01 1wgx n ASN 56 N -4.83 2.66 -0.02 1.42 6.94 0.28 -4.37 115.26 117.33 1wgx n ASN 56 Ca -0.06 -3.15 -0.12 0.00 -0.02 0.00 0.00 54.58 51.23 1wgx n ASN 56 Cb 0.17 -0.70 -0.10 0.00 -2.36 0.00 0.00 39.78 36.79 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1wgx h PRO 57 N 4.98 -0.04 0.00 -0.53 0.13 -0.44 -3.43 132.00 132.67 1wgx h PRO 57 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1wgx h PRO 57 Cb 0.75 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1wgx h PRO 57 CO 0.70 0.63 -0.90 -2.13 -0.23 0.00 0.00 178.00 176.06 1wgx n ARG 58 N -4.76 0.02 -0.08 0.86 0.00 -1.26 -5.05 116.66 106.39 1wgx n ARG 58 Ca -0.09 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1wgx n ARG 58 Cb 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 32.46 32.27 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wgx n GLY 59 N 3.02 1.38 3.96 5.14 0.00 -1.26 -5.12 105.19 112.32 1wgx n GLY 59 Ca -0.01 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 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 1.98 2.56 0.00 1.61 2.20 -1.26 -4.55 119.74 122.27 1wgx s LYS 60 Ca 0.00 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1wgx s LYS 60 Cb 0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1wgx s LYS 60 CO 0.00 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 1wgx n GLY 61 N -2.42 0.54 2.94 5.54 0.00 -1.26 -4.79 105.19 105.74 1wgx n GLY 61 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1wgx n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgx n SER 62 N 0.00 -7.34 -3.49 1.61 3.41 -1.26 -5.05 113.62 101.49 1wgx n SER 62 Ca 0.00 -0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1wgx n SER 62 Cb 0.00 -4.98 -0.04 0.00 -0.26 0.00 0.00 64.21 58.93 1wgx n SER 62 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1wgx s GLN 63 N -3.01 1.03 0.30 4.33 0.74 -1.26 -5.14 119.66 116.64 1wgx s GLN 63 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.33 1wgx s GLN 63 Cb -0.00 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.59 1wgx s GLN 63 CO 0.69 -0.39 0.00 1.17 -0.55 0.00 0.00 175.29 176.21 1wgx n LYS 64 N 0.28 -1.95 -3.72 1.67 4.81 -1.26 -5.01 118.16 112.98 1wgx n LYS 64 Ca -0.16 1.53 -0.16 0.00 -0.87 0.00 0.00 58.31 58.66 1wgx n LYS 64 Cb 0.61 -1.97 -0.16 0.00 0.02 0.00 0.00 35.03 33.52 1wgx n LYS 64 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1wgx s HIS 65 N -4.45 -0.06 -0.25 5.64 2.46 -1.26 -5.07 115.29 112.30 1wgx s HIS 65 Ca 0.00 0.36 -0.20 0.00 0.47 0.00 0.00 55.06 55.69 1wgx s HIS 65 Cb 0.00 -0.25 -0.02 0.00 -0.13 0.00 0.00 32.58 32.17 1wgx s HIS 65 CO 0.00 -0.17 0.62 0.08 -2.47 0.00 0.00 174.74 172.79 1wgx s VAL 66 N 1.61 5.00 -0.15 0.89 1.01 -1.26 -5.03 120.40 122.47 1wgx s VAL 66 Ca -0.03 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1wgx s VAL 66 Cb -0.12 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1wgx s VAL 66 CO -0.04 0.05 0.41 -0.89 0.00 0.00 0.00 175.10 174.62 1wgx s THR 67 N 2.38 -0.00 0.07 3.92 2.01 -1.26 -4.89 115.64 117.87 1wgx s THR 67 Ca 0.26 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1wgx s THR 67 Cb -0.16 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1wgx s THR 67 CO 0.09 0.00 -0.04 -0.24 -0.69 0.00 0.00 174.62 173.74 1wgx n SER 68 N 2.95 1.21 0.00 3.53 2.88 -1.26 -5.12 113.62 117.82 1wgx n SER 68 Ca -0.14 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1wgx n SER 68 Cb 0.57 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 3.25 -0.87 3.71 0.46 0.00 -1.26 -4.89 105.19 105.60 1wgx n GLY 69 Ca -0.02 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.32 4.46 -0.18 1.61 0.04 -1.26 -4.68 135.00 133.67 1wgx s PRO 70 Ca 0.00 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 1wgx s PRO 70 Cb 0.00 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 1wgx s PRO 70 CO 0.00 -0.20 -0.30 0.43 0.04 0.00 0.00 177.00 176.97 1wgx n SER 71 N 3.79 1.91 0.12 6.66 7.64 -1.26 -5.00 113.62 127.49 1wgx n SER 71 Ca 0.08 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1wgx n SER 71 Cb 0.47 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1wgx n SER 71 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgx n SER 72 N -4.47 -0.05 -0.87 6.43 7.64 -1.26 -5.33 113.62 115.70 1wgx n SER 72 Ca -0.17 0.40 0.12 0.00 1.01 0.00 0.00 58.87 60.24 1wgx n SER 72 Cb 0.51 0.30 0.18 0.00 -1.01 0.00 0.00 64.21 64.18 1wgx n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64