#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgx s SER 2 N 0.00 -0.48 0.05 1.61 0.15 -1.26 -5.07 113.70 108.70 1wgx s SER 2 Ca 0.00 -0.17 -0.32 0.00 0.70 0.00 0.00 55.95 56.16 1wgx s SER 2 Cb 0.00 0.62 -0.18 0.00 -1.71 0.00 0.00 66.02 64.75 1wgx s SER 2 CO 0.00 -1.06 1.43 0.28 1.20 0.00 0.00 173.24 175.09 1wgx h SER 3 N 2.02 -0.88 -3.12 5.45 0.02 -2.11 -3.42 113.55 111.51 1wgx h SER 3 Ca -0.30 0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.05 1wgx h SER 3 Cb 1.29 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.98 1wgx h SER 3 CO 0.35 -0.56 -0.32 -0.83 -1.14 0.00 0.00 176.83 174.32 1wgx s GLY 4 N -2.20 2.26 0.08 -3.77 0.00 -1.26 -5.02 107.32 97.41 1wgx s GLY 4 Ca -0.17 -0.43 -0.37 0.00 0.00 0.00 0.00 44.72 43.75 1wgx s GLY 4 CO 0.55 0.24 1.24 -1.26 0.00 0.00 0.00 173.10 173.87 1wgx n SER 5 N 2.92 1.18 -3.64 1.64 2.88 -1.26 -4.95 113.62 112.40 1wgx n SER 5 Ca -0.14 1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.46 1wgx n SER 5 Cb 0.52 -1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 62.78 1wgx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgx s SER 6 N 0.28 -0.48 -0.60 -3.46 0.01 -1.26 -5.11 113.70 103.07 1wgx s SER 6 Ca 0.84 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 1wgx s SER 6 Cb -1.01 0.97 0.15 0.00 0.21 0.00 0.00 66.02 66.35 1wgx s SER 6 CO 0.50 -0.15 0.39 -0.83 0.41 0.00 0.00 173.24 173.56 1wgx s GLY 7 N 0.49 2.50 -0.13 3.44 0.00 -1.26 -4.90 107.32 107.45 1wgx s GLY 7 Ca 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 44.72 41.35 1wgx s GLY 7 CO -0.08 1.08 0.19 1.22 0.00 0.00 0.00 173.10 175.50 1wgx n ASP 8 N 3.35 -2.54 -4.08 1.64 9.92 -1.26 -5.02 116.55 118.55 1wgx n ASP 8 Ca 0.07 1.46 -0.27 0.00 -0.53 0.00 0.00 54.79 55.52 1wgx n ASP 8 Cb 0.36 -5.12 -0.17 0.00 -0.64 0.00 0.00 41.12 35.56 1wgx n ASP 8 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1wgx s LYS 9 N -0.62 2.15 0.40 -1.24 2.47 -1.26 -5.07 119.74 116.56 1wgx s LYS 9 Ca -0.22 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 1wgx s LYS 9 Cb 0.01 -1.72 0.00 0.00 -1.46 0.00 0.00 37.83 34.67 1wgx s LYS 9 CO 0.59 0.06 0.00 0.39 0.16 0.00 0.00 175.35 176.56 1wgx n GLU 10 N 3.77 -0.74 -2.02 4.03 4.71 -1.26 -4.85 120.64 124.27 1wgx n GLU 10 Ca -0.21 0.48 -0.14 0.00 -0.01 0.00 0.00 57.16 57.28 1wgx n GLU 10 Cb 0.52 -0.90 0.06 0.00 -1.01 0.00 0.00 31.44 30.12 1wgx n GLU 10 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1wgx n TRP 11 N -1.57 -2.88 -4.04 -0.32 7.02 -1.26 -5.14 117.44 109.26 1wgx n TRP 11 Ca 0.00 -1.22 -0.02 0.00 -1.02 0.00 0.00 57.50 55.24 1wgx n TRP 11 Cb 0.17 -0.42 -0.01 0.00 -2.42 0.00 0.00 31.31 28.63 1wgx n TRP 11 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1wgx n ASN 12 N -2.79 0.69 0.05 -0.99 0.23 -1.26 -4.94 115.26 106.25 1wgx n ASN 12 Ca 0.11 -1.22 -0.12 0.00 -0.53 0.00 0.00 54.58 52.81 1wgx n ASN 12 Cb 0.38 0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 38.13 1wgx n ASN 12 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1wgx h GLU 13 N 0.00 -0.04 -0.80 -3.83 4.81 -2.00 1.34 114.58 114.05 1wgx h GLU 13 Ca -0.03 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.39 1wgx h GLU 13 Cb 0.12 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.38 1wgx h GLU 13 CO 0.05 0.02 0.13 0.87 -0.73 0.00 0.00 179.01 179.35 1wgx h LYS 14 N -0.10 0.18 0.08 1.92 6.56 -1.98 0.68 116.57 123.92 1wgx h LYS 14 Ca -0.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1wgx h LYS 14 Cb 0.08 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1wgx h LYS 14 CO 0.01 0.12 -0.04 0.93 -2.06 0.00 0.00 179.45 178.41 1wgx h GLU 15 N 0.19 -0.11 -0.38 3.15 5.08 -1.85 -3.11 114.58 117.54 1wgx h GLU 15 Ca 0.46 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.87 1wgx h GLU 15 Cb 0.86 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1wgx h GLU 15 CO -0.62 -0.07 -0.23 1.28 -1.00 0.00 0.00 179.01 178.37 1wgx n LEU 16 N -3.84 -0.41 -0.34 1.33 7.99 0.45 0.78 117.00 122.96 1wgx n LEU 16 Ca -0.01 1.29 0.15 0.00 -0.01 0.00 0.00 56.01 57.42 1wgx n LEU 16 Cb 0.04 -0.39 0.29 0.00 -0.11 0.00 0.00 43.42 43.26 1wgx n LEU 16 CO 0.03 -0.86 0.81 0.06 -1.51 0.00 0.00 177.39 175.92 1wgx h GLN 17 N 0.00 0.01 -0.32 3.23 3.07 0.21 1.48 115.11 122.79 1wgx h GLN 17 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 1wgx h GLN 17 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 1wgx h GLN 17 CO -0.36 0.01 0.16 0.87 0.09 0.00 0.00 178.83 179.59 1wgx h LYS 18 N 0.01 0.46 0.87 0.06 1.57 0.44 1.43 116.57 121.41 1wgx h LYS 18 Ca 0.60 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1wgx h LYS 18 Cb 1.24 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1wgx h LYS 18 CO -0.92 0.42 -0.42 1.25 -0.57 0.00 0.00 179.45 179.21 1wgx h LEU 19 N 0.38 -0.99 0.78 2.94 5.85 0.67 0.19 115.31 125.13 1wgx h LEU 19 Ca 0.11 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1wgx h LEU 19 Cb 0.11 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1wgx h LEU 19 CO -0.01 -0.70 -0.48 0.45 -0.34 0.00 0.00 178.44 177.36 1wgx h HIS 20 N -1.18 -1.28 0.00 1.25 3.86 0.65 0.70 115.15 119.15 1wgx h HIS 20 Ca -0.12 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1wgx h HIS 20 Cb 0.90 0.46 0.00 0.00 1.06 0.00 0.00 27.41 29.82 1wgx h HIS 20 CO -0.01 -0.72 0.00 0.00 0.86 0.00 0.00 177.93 178.06 1wgx h ALA 22 N -1.20 -0.32 -1.09 0.00 0.00 -0.59 1.75 119.26 117.80 1wgx h ALA 22 Ca 0.00 0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.33 1wgx h ALA 22 Cb 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1wgx h ALA 22 CO 0.00 -0.82 0.77 0.35 0.00 0.00 0.00 179.25 179.55 1wgx h PHE 23 N -0.24 0.12 0.00 0.00 3.04 0.19 1.51 116.94 121.55 1wgx h PHE 23 Ca 0.17 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 1wgx h PHE 23 Cb 0.57 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 1wgx h PHE 23 CO -0.68 0.01 -0.45 0.00 -2.02 0.00 0.00 178.31 175.17 1wgx h ALA 24 N 1.48 0.06 0.03 2.41 0.00 0.93 -3.39 119.26 120.78 1wgx h ALA 24 Ca 0.54 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wgx h ALA 24 Cb 2.01 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 20.08 1wgx h ALA 24 CO -0.06 0.32 -0.29 0.77 0.00 0.00 0.00 179.25 180.00 1wgx h SER 25 N -1.00 -0.85 -3.84 0.00 0.02 0.32 -3.41 113.55 104.80 1wgx h SER 25 Ca -0.08 0.11 -0.48 0.00 -0.84 0.00 0.00 61.79 60.50 1wgx h SER 25 Cb 0.64 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1wgx h SER 25 CO -0.05 -0.36 0.39 -0.76 -1.14 0.00 0.00 176.83 174.91 1wgx s LEU 26 N -10.34 4.45 0.58 5.07 1.43 0.51 -5.03 118.68 115.34 1wgx s LEU 26 Ca -0.15 2.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.78 1wgx s LEU 26 Cb 0.09 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1wgx s LEU 26 CO 0.65 -0.08 1.05 -2.16 0.23 0.00 0.00 176.35 176.04 1wgx s PRO 27 N -1.73 3.41 0.00 1.29 0.04 -1.26 -4.61 135.00 132.15 1wgx s PRO 27 Ca 0.47 1.18 0.25 0.00 0.04 0.00 0.00 61.00 62.94 1wgx s PRO 27 Cb -0.24 -2.05 0.42 0.00 0.04 0.00 0.00 34.50 32.67 1wgx s PRO 27 CO 0.31 -0.73 1.35 1.63 0.04 0.00 0.00 177.00 179.60 1wgx n LYS 28 N -1.94 0.47 0.00 4.56 4.01 -1.26 -3.65 118.16 120.34 1wgx n LYS 28 Ca 0.08 -0.31 0.15 0.00 -0.51 0.00 0.00 58.31 57.72 1wgx n LYS 28 Cb 0.53 -1.49 0.72 0.00 -0.51 0.00 0.00 35.03 34.27 1wgx n LYS 28 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1wgx n HIS 29 N -0.99 0.00 -1.64 2.13 8.25 -1.26 -4.83 115.22 116.87 1wgx n HIS 29 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.24 1wgx n HIS 29 Cb 0.36 -0.34 0.06 0.00 1.12 0.00 0.00 29.99 31.18 1wgx n HIS 29 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wgx s LYS 30 N -2.69 2.77 0.00 -0.41 1.02 -1.24 -5.04 119.74 114.15 1wgx s LYS 30 Ca 0.24 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1wgx s LYS 30 Cb 0.20 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1wgx s LYS 30 CO 0.48 -1.17 0.17 -0.35 -0.92 0.00 0.00 175.35 173.56 1wgx n PRO 31 N -3.15 0.00 -0.99 -1.68 -0.04 -1.26 -4.11 135.00 123.77 1wgx n PRO 31 Ca 0.07 0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.52 1wgx n PRO 31 Cb 0.55 -0.80 -0.12 0.00 -0.04 0.00 0.00 33.50 33.09 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 1.57 3.17 0.37 0.55 0.00 -1.26 -4.55 105.19 105.04 1wgx n GLY 32 Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 46.02 44.92 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 3.90 1.04 -0.05 1.61 3.57 -1.89 0.50 116.94 125.62 1wgx h PHE 33 Ca 0.36 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 1wgx h PHE 33 Cb 1.03 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1wgx h PHE 33 CO 1.77 0.44 0.00 -1.49 -2.23 0.00 0.00 178.31 176.81 1wgx h TRP 34 N 0.94 0.10 -0.81 0.41 -0.00 -1.87 -0.13 115.95 114.58 1wgx h TRP 34 Ca 0.46 -0.02 0.16 0.00 -0.00 0.00 0.00 58.89 59.49 1wgx h TRP 34 Cb 0.46 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 29.54 1wgx h TRP 34 CO -0.00 0.36 0.54 0.66 -0.00 0.00 0.00 178.44 179.99 1wgx h SER 35 N -0.19 0.42 0.27 -3.49 4.64 -1.52 0.69 113.55 114.38 1wgx h SER 35 Ca 0.01 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1wgx h SER 35 Cb 0.32 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1wgx h SER 35 CO 0.00 0.21 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.71 1wgx h GLU 36 N 0.44 -0.36 -0.32 4.77 5.08 -0.51 -2.43 114.58 121.26 1wgx h GLU 36 Ca 0.40 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.88 1wgx h GLU 36 Cb 0.92 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1wgx h GLU 36 CO -0.14 -0.24 0.40 -0.39 -1.00 0.00 0.00 179.01 177.64 1wgx h VAL 37 N -0.70 0.33 0.00 3.13 -1.51 -0.66 1.57 116.25 118.41 1wgx h VAL 37 Ca -0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.38 1wgx h VAL 37 Cb 0.28 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1wgx h VAL 37 CO 0.06 0.00 -0.27 0.00 -1.23 0.00 0.00 177.57 176.13 1wgx h ALA 38 N 1.51 0.93 0.53 5.19 0.00 0.45 0.16 119.26 128.02 1wgx h ALA 38 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1wgx h ALA 38 Cb 0.95 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wgx h ALA 38 CO -0.00 0.34 -0.25 0.00 0.00 0.00 0.00 179.25 179.33 1wgx h ALA 39 N 1.73 -0.71 0.00 0.00 0.00 0.28 1.88 119.26 122.44 1wgx h ALA 39 Ca -0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1wgx h ALA 39 Cb 0.93 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1wgx h ALA 39 CO 0.04 -0.89 -0.84 0.00 0.00 0.00 0.00 179.25 177.55 1wgx h ALA 40 N -0.24 0.60 -0.24 0.00 0.00 -1.55 -2.73 119.26 115.09 1wgx h ALA 40 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1wgx h ALA 40 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wgx h ALA 40 CO 0.12 0.96 0.00 0.28 0.00 0.00 0.00 179.25 180.61 1wgx n VAL 41 N -3.62 0.32 -0.04 0.00 0.31 0.04 -4.50 118.33 110.85 1wgx n VAL 41 Ca -0.02 -0.34 0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1wgx n VAL 41 Cb 0.79 0.18 0.06 0.00 -0.91 0.00 0.00 33.84 33.96 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 0.63 2.92 0.00 0.64 0.28 105.19 110.49 1wgx n GLY 42 Ca 0.10 0.10 0.44 0.00 0.00 0.00 0.00 46.02 46.66 1wgx n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgx n SER 43 N -3.44 0.00 -2.97 1.61 3.41 -1.26 -4.41 113.62 106.55 1wgx n SER 43 Ca 0.04 0.88 -0.16 0.00 -0.26 0.00 0.00 58.87 59.37 1wgx n SER 43 Cb 0.14 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 1wgx n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wgx n ARG 44 N -3.63 0.64 -3.28 4.33 5.12 0.80 -5.17 116.66 115.48 1wgx n ARG 44 Ca 0.37 -2.26 -0.23 0.00 -1.93 0.00 0.00 57.85 53.80 1wgx n ARG 44 Cb 1.79 1.32 -0.00 0.00 -1.16 0.00 0.00 32.46 34.40 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 -2.63 6.08 0.31 0.55 0.01 -1.26 -4.90 113.70 111.85 1wgx s SER 45 Ca 0.15 0.28 0.16 0.00 1.31 0.00 0.00 55.95 57.85 1wgx s SER 45 Cb 0.01 -1.73 0.39 0.00 0.21 0.00 0.00 66.02 64.90 1wgx s SER 45 CO 0.11 -0.45 1.60 1.55 0.41 0.00 0.00 173.24 176.46 1wgx h PRO 46 N 0.66 0.00 0.00 12.44 0.13 -1.90 -2.39 132.00 140.94 1wgx h PRO 46 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1wgx h PRO 46 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wgx h PRO 46 CO 0.59 0.51 -0.21 0.93 -0.23 0.00 0.00 178.00 179.58 1wgx h GLU 47 N 0.00 0.00 0.04 0.86 5.08 -1.95 -3.07 114.58 115.54 1wgx h GLU 47 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1wgx h GLU 47 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1wgx h GLU 47 CO 0.07 0.21 -1.53 0.93 -1.00 0.00 0.00 179.01 177.68 1wgx h GLU 48 N 0.00 0.09 -0.21 2.33 4.39 -1.92 -3.22 114.58 116.03 1wgx h GLU 48 Ca -0.00 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.61 1wgx h GLU 48 Cb 0.90 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1wgx h GLU 48 CO 0.03 0.82 0.19 0.00 -1.16 0.00 0.00 179.01 178.89 1wgx h GLN 50 N 0.00 0.06 0.24 0.00 4.15 -1.61 -2.69 115.11 115.27 1wgx h GLN 50 Ca 0.10 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1wgx h GLN 50 Cb 0.47 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1wgx h GLN 50 CO -0.00 0.97 -0.14 0.00 -1.93 0.00 0.00 178.83 177.73 1wgx h ARG 51 N -0.80 -0.34 0.06 1.69 3.08 -1.25 -1.08 114.38 115.74 1wgx h ARG 51 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wgx h ARG 51 Cb 1.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1wgx h ARG 51 CO 0.03 -0.23 -0.12 -0.22 -1.07 0.00 0.00 179.97 178.36 1wgx h LYS 52 N -0.36 -0.19 -0.93 0.04 1.63 -0.48 -0.04 116.57 116.24 1wgx h LYS 52 Ca -0.03 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.89 1wgx h LYS 52 Cb 0.29 0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 31.83 1wgx h LYS 52 CO 0.04 -0.13 -0.48 0.98 -3.45 0.00 0.00 179.45 176.41 1wgx n TYR 53 N -3.07 -0.25 -0.29 1.91 4.19 -1.01 0.11 117.16 118.75 1wgx n TYR 53 Ca -0.02 1.16 0.09 0.00 3.31 0.00 0.00 57.90 62.44 1wgx n TYR 53 Cb 0.10 -0.67 0.25 0.00 0.49 0.00 0.00 39.34 39.50 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 0.42 -0.36 2.98 2.86 -0.93 0.49 114.93 120.39 1wgx h MET 54 Ca 0.21 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1wgx h MET 54 Cb 0.45 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1wgx h MET 54 CO -0.89 0.28 0.06 0.93 1.06 0.00 0.00 176.91 178.35 1wgx h GLU 55 N 0.44 0.60 -2.65 1.72 4.39 0.28 -3.34 114.58 116.02 1wgx h GLU 55 Ca 0.49 -0.16 -0.60 0.00 0.34 0.00 0.00 59.36 59.43 1wgx h GLU 55 Cb 0.84 -0.07 -0.41 0.00 -0.10 0.00 0.00 28.75 29.01 1wgx h GLU 55 CO -0.47 0.66 -0.70 -1.71 -1.16 0.00 0.00 179.01 175.64 1wgx n ASN 56 N -4.57 2.33 0.06 1.42 2.85 0.10 -4.92 115.26 112.53 1wgx n ASN 56 Ca -0.01 -3.07 -0.08 0.00 -0.11 0.00 0.00 54.58 51.31 1wgx n ASN 56 Cb 0.22 -0.69 -0.05 0.00 1.24 0.00 0.00 39.78 40.50 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1wgx h PRO 57 N 5.02 -0.23 0.00 1.20 0.13 -0.27 -3.41 132.00 134.44 1wgx h PRO 57 Ca 0.18 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1wgx h PRO 57 Cb 0.77 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1wgx h PRO 57 CO 0.66 0.07 -0.12 0.54 -0.23 0.00 0.00 178.00 178.92 1wgx n ARG 58 N -4.92 0.00 -2.47 0.86 1.74 -1.26 -5.05 116.66 105.56 1wgx n ARG 58 Ca -0.06 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 1wgx n ARG 58 Cb 0.20 -0.20 0.08 0.00 -1.02 0.00 0.00 32.46 31.53 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 2.24 1.21 3.34 -0.13 0.00 -1.26 -5.14 105.19 105.46 1wgx n GLY 59 Ca 0.00 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 1wgx n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgx s LYS 60 N -4.54 1.63 0.00 1.61 3.01 -1.26 -4.68 119.74 115.52 1wgx s LYS 60 Ca 0.55 -1.94 0.00 0.00 -1.01 0.00 0.00 55.97 53.57 1wgx s LYS 60 Cb -0.04 -0.08 0.00 0.00 -1.01 0.00 0.00 37.83 36.71 1wgx s LYS 60 CO 0.36 -0.48 0.00 0.41 0.51 0.00 0.00 175.35 176.15 1wgx n GLY 61 N -0.61 0.20 3.15 -3.33 0.00 -1.26 -5.15 105.19 98.20 1wgx n GLY 61 Ca 0.01 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1wgx n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgx s SER 62 N 0.00 -0.25 0.36 1.61 1.04 -1.26 -5.07 113.70 110.14 1wgx s SER 62 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1wgx s SER 62 Cb 0.00 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.30 1wgx s SER 62 CO 0.00 -0.05 0.00 1.67 0.98 0.00 0.00 173.24 175.84 1wgx n GLN 63 N 5.31 0.00 -4.33 4.02 -0.06 -1.26 -5.06 117.38 116.01 1wgx n GLN 63 Ca -0.01 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.74 1wgx n GLN 63 Cb 0.56 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.65 1wgx n GLN 63 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1wgx s LYS 64 N -1.83 2.10 0.27 3.69 1.02 -1.26 -5.15 119.74 118.58 1wgx s LYS 64 Ca 0.00 -1.85 -0.03 0.00 0.02 0.00 0.00 55.97 54.12 1wgx s LYS 64 Cb 0.00 -1.89 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1wgx s LYS 64 CO 0.00 0.02 0.33 -1.58 -0.92 0.00 0.00 175.35 173.20 1wgx s HIS 65 N -2.58 1.06 0.16 3.18 2.46 -1.26 -5.12 115.29 113.19 1wgx s HIS 65 Ca 0.37 -1.26 -0.31 0.00 0.47 0.00 0.00 55.06 54.33 1wgx s HIS 65 Cb 0.03 -0.29 -0.17 0.00 -0.13 0.00 0.00 32.58 32.02 1wgx s HIS 65 CO 0.20 -0.90 0.79 1.55 -2.47 0.00 0.00 174.74 173.92 1wgx n VAL 66 N -0.44 1.39 -4.06 0.89 3.14 -1.26 -4.94 118.33 113.05 1wgx n VAL 66 Ca 0.02 -0.35 -0.32 0.00 -2.96 0.00 0.00 64.34 60.74 1wgx n VAL 66 Cb 0.63 -0.24 -0.16 0.00 -1.06 0.00 0.00 33.84 33.02 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 -0.66 1.83 0.90 1.55 2.01 -1.26 -5.12 115.64 114.88 1wgx s THR 67 Ca 0.71 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 1wgx s THR 67 Cb -0.97 -1.71 0.14 0.00 0.01 0.00 0.00 72.50 69.97 1wgx s THR 67 CO 0.56 0.44 1.24 -0.44 -0.69 0.00 0.00 174.62 175.73 1wgx s SER 68 N 1.37 3.70 0.10 3.53 0.01 -1.26 -5.10 113.70 116.05 1wgx s SER 68 Ca 0.04 0.56 -0.09 0.00 1.31 0.00 0.00 55.95 57.77 1wgx s SER 68 Cb -0.14 -0.85 -0.00 0.00 0.21 0.00 0.00 66.02 65.24 1wgx s SER 68 CO -0.11 -2.39 0.21 -0.83 0.41 0.00 0.00 173.24 170.53 1wgx s GLY 69 N -4.66 0.14 0.84 3.44 0.00 -1.26 -5.17 107.32 100.65 1wgx s GLY 69 Ca 0.68 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 44.62 1wgx s GLY 69 CO 0.51 -0.79 0.93 -1.55 0.00 0.00 0.00 173.10 172.20 1wgx n PRO 70 N -0.09 -1.79 0.00 2.90 -0.04 -1.26 -5.10 135.00 129.62 1wgx n PRO 70 Ca -0.14 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1wgx n PRO 70 Cb 0.63 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1wgx n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgx n SER 71 N -4.03 0.00 -4.07 3.54 2.88 -1.26 -5.19 113.62 105.49 1wgx n SER 71 Ca 0.12 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.57 1wgx n SER 71 Cb 0.44 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 1wgx n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgx s SER 72 N 0.00 0.26 0.00 -3.46 0.15 -1.26 -5.37 113.70 104.02 1wgx s SER 72 Ca 0.00 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1wgx s SER 72 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wgx s SER 72 CO 0.00 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.30