#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 -6.27 -4.27 1.61 7.64 -1.26 -5.01 113.62 106.06 1wgx n SER 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.74 1wgx n SER 2 Cb 0.00 -2.89 -0.10 0.00 -1.01 0.00 0.00 64.21 60.20 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 -1.96 1.12 -0.40 6.43 0.01 -1.26 -5.12 113.70 112.52 1wgx s SER 3 Ca 0.31 -1.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.28 1wgx s SER 3 Cb -0.05 0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.45 1wgx s SER 3 CO 0.84 -0.66 0.18 -0.83 0.41 0.00 0.00 173.24 173.18 1wgx s GLY 4 N -3.23 1.99 -0.03 3.44 0.00 -1.26 -5.06 107.32 103.17 1wgx s GLY 4 Ca 0.31 -2.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.26 1wgx s GLY 4 CO 0.08 1.01 0.47 -0.56 0.00 0.00 0.00 173.10 174.11 1wgx s SER 5 N 1.63 -0.40 -0.21 1.64 0.01 -1.26 -5.16 113.70 109.95 1wgx s SER 5 Ca 0.09 0.37 -0.12 0.00 1.31 0.00 0.00 55.95 57.61 1wgx s SER 5 Cb -0.22 0.42 0.07 0.00 0.21 0.00 0.00 66.02 66.50 1wgx s SER 5 CO -0.05 -0.51 0.51 -0.94 0.41 0.00 0.00 173.24 172.66 1wgx s SER 6 N -1.24 -0.68 0.00 2.44 1.04 -1.26 -5.11 113.70 108.89 1wgx s SER 6 Ca -0.12 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1wgx s SER 6 Cb -0.03 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1wgx s SER 6 CO 0.07 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1wgx n GLY 7 N 4.29 1.14 5.49 7.32 0.00 -1.26 -4.99 105.19 117.17 1wgx n GLY 7 Ca -0.22 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.33 1wgx n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgx n ASP 8 N 0.00 -5.55 -0.81 1.61 8.00 -1.26 -4.22 116.55 114.32 1wgx n ASP 8 Ca 0.00 0.34 0.07 0.00 0.71 0.00 0.00 54.79 55.91 1wgx n ASP 8 Cb 0.00 -0.98 0.20 0.00 -0.02 0.00 0.00 41.12 40.32 1wgx n ASP 8 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1wgx n LYS 9 N -2.17 2.94 -3.59 -1.24 0.00 -1.26 -4.99 118.16 107.85 1wgx n LYS 9 Ca 0.00 -2.30 -0.22 0.00 -0.00 0.00 0.00 58.31 55.80 1wgx n LYS 9 Cb 0.14 -1.44 -0.02 0.00 -0.00 0.00 0.00 35.03 33.72 1wgx n LYS 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1wgx s GLU 10 N -1.37 2.48 0.54 -1.58 -1.05 -1.26 -5.14 118.70 111.31 1wgx s GLU 10 Ca 0.30 -1.62 0.02 0.00 -0.15 0.00 0.00 54.97 53.52 1wgx s GLU 10 Cb 0.18 -2.35 0.10 0.00 -0.44 0.00 0.00 34.13 31.63 1wgx s GLU 10 CO 0.17 -0.29 0.74 0.91 0.95 0.00 0.00 175.26 177.74 1wgx n TRP 11 N -1.61 -2.91 -4.33 4.83 7.02 -1.26 -4.88 117.44 114.30 1wgx n TRP 11 Ca 0.03 -1.43 -0.23 0.00 -1.02 0.00 0.00 57.50 54.86 1wgx n TRP 11 Cb 0.62 -0.53 -0.12 0.00 -2.42 0.00 0.00 31.31 28.86 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 -4.07 2.71 0.26 -0.99 2.20 -1.26 -4.96 114.94 108.83 1wgx s ASN 12 Ca 0.50 -0.82 -0.02 0.00 -0.94 0.00 0.00 52.86 51.59 1wgx s ASN 12 Cb -0.03 -0.16 0.57 0.00 -2.00 0.00 0.00 41.25 39.63 1wgx s ASN 12 CO 0.33 -0.00 1.37 -0.62 -2.94 0.00 0.00 177.10 175.24 1wgx n GLU 13 N 0.47 -0.07 -0.14 3.55 1.02 -1.26 0.19 120.64 124.39 1wgx n GLU 13 Ca -0.15 1.34 -0.04 0.00 -0.02 0.00 0.00 57.16 58.29 1wgx n GLU 13 Cb 0.56 -2.07 0.02 0.00 -0.02 0.00 0.00 31.44 29.93 1wgx n GLU 13 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wgx h LYS 14 N 0.00 -0.07 0.81 3.49 1.79 -1.98 0.27 116.57 120.88 1wgx h LYS 14 Ca 0.49 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.93 1wgx h LYS 14 Cb 0.92 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1wgx h LYS 14 CO -0.86 -0.05 -0.39 0.93 -1.08 0.00 0.00 179.45 178.01 1wgx h GLU 15 N -0.07 -1.05 0.00 3.15 5.08 0.17 -1.17 114.58 120.68 1wgx h GLU 15 Ca 0.22 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1wgx h GLU 15 Cb 0.42 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wgx h GLU 15 CO -0.52 -0.70 0.00 1.28 -1.00 0.00 0.00 179.01 178.08 1wgx n LEU 16 N -5.50 0.00 -0.37 1.33 7.99 0.28 0.18 117.00 120.92 1wgx n LEU 16 Ca -0.14 0.97 0.28 0.00 -0.01 0.00 0.00 56.01 57.11 1wgx n LEU 16 Cb 0.43 -0.47 0.54 0.00 -0.11 0.00 0.00 43.42 43.81 1wgx n LEU 16 CO 0.33 -0.47 1.18 0.06 -1.51 0.00 0.00 177.39 176.98 1wgx h GLN 17 N 0.00 0.26 -0.50 3.23 3.07 -0.56 1.70 115.11 122.31 1wgx h GLN 17 Ca 0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 58.65 58.60 1wgx h GLN 17 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.49 1wgx h GLN 17 CO 0.00 0.17 -0.16 0.87 0.09 0.00 0.00 178.83 179.80 1wgx h LYS 18 N 0.26 0.99 0.17 0.06 1.57 0.15 1.09 116.57 120.86 1wgx h LYS 18 Ca 0.73 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1wgx h LYS 18 Cb 1.92 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1wgx h LYS 18 CO -0.47 1.06 -0.08 1.25 -0.57 0.00 0.00 179.45 180.64 1wgx h LEU 19 N 0.86 -0.19 0.21 2.94 5.85 1.29 -1.88 115.31 124.39 1wgx h LEU 19 Ca 0.12 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1wgx h LEU 19 Cb 0.73 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1wgx h LEU 19 CO 0.06 0.29 -0.10 0.45 -0.34 0.00 0.00 178.44 178.80 1wgx h HIS 20 N -0.74 -0.26 0.00 1.25 3.86 0.53 0.43 115.15 120.23 1wgx h HIS 20 Ca -0.02 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1wgx h HIS 20 Cb 0.51 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1wgx h HIS 20 CO 0.07 -0.11 0.00 0.00 0.86 0.00 0.00 177.93 178.75 1wgx h ALA 22 N -1.38 0.19 -0.86 0.00 0.00 -1.34 1.72 119.26 117.60 1wgx h ALA 22 Ca 0.00 0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.34 1wgx h ALA 22 Cb 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1wgx h ALA 22 CO 0.00 -0.54 0.61 0.35 0.00 0.00 0.00 179.25 179.67 1wgx h PHE 23 N -0.09 0.11 0.00 0.00 3.57 0.97 1.40 116.94 122.90 1wgx h PHE 23 Ca 0.25 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1wgx h PHE 23 Cb 0.49 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1wgx h PHE 23 CO -0.53 0.03 -0.66 0.00 -2.23 0.00 0.00 178.31 174.92 1wgx h ALA 24 N 1.59 0.10 -0.11 2.41 0.00 0.83 -3.39 119.26 120.69 1wgx h ALA 24 Ca 0.42 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1wgx h ALA 24 Cb 1.53 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1wgx h ALA 24 CO -0.04 0.45 -0.23 0.77 0.00 0.00 0.00 179.25 180.20 1wgx h SER 25 N -1.00 -0.72 -3.92 0.00 0.02 0.28 -3.41 113.55 104.81 1wgx h SER 25 Ca -0.13 0.11 -0.47 0.00 -0.84 0.00 0.00 61.79 60.47 1wgx h SER 25 Cb 0.79 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1wgx h SER 25 CO -0.08 -0.29 0.35 -0.76 -1.14 0.00 0.00 176.83 174.92 1wgx s LEU 26 N -10.42 4.27 0.54 5.07 1.43 0.47 -5.03 118.68 115.01 1wgx s LEU 26 Ca -0.15 1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 54.61 1wgx s LEU 26 Cb 0.10 -4.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 1wgx s LEU 26 CO 0.67 -0.15 1.04 -2.16 0.23 0.00 0.00 176.35 175.98 1wgx s PRO 27 N -2.25 3.56 0.00 1.29 0.04 -1.26 -4.63 135.00 131.75 1wgx s PRO 27 Ca 0.52 1.25 0.27 0.00 0.04 0.00 0.00 61.00 63.08 1wgx s PRO 27 Cb -0.18 -2.07 0.74 0.00 0.04 0.00 0.00 34.50 33.04 1wgx s PRO 27 CO 0.23 -0.61 1.57 1.63 0.04 0.00 0.00 177.00 179.85 1wgx n LYS 28 N -1.57 1.67 0.00 4.56 4.01 -1.26 -3.59 118.16 121.99 1wgx n LYS 28 Ca 0.09 -1.12 0.13 0.00 -0.51 0.00 0.00 58.31 56.90 1wgx n LYS 28 Cb 0.53 -1.48 0.41 0.00 -0.51 0.00 0.00 35.03 33.98 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 0.32 0.00 -1.63 2.13 1.44 -1.26 -4.90 115.22 111.31 1wgx n HIS 29 Ca 0.16 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.57 1wgx n HIS 29 Cb 0.42 -0.10 0.05 0.00 0.12 0.00 0.00 29.99 30.48 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 -2.42 2.80 0.00 -1.40 1.02 -1.24 -5.03 119.74 113.48 1wgx s LYS 30 Ca 0.27 0.80 0.00 0.00 0.02 0.00 0.00 55.97 57.06 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 0.49 -1.16 0.22 -0.35 -0.92 0.00 0.00 175.35 173.63 1wgx n PRO 31 N -3.15 0.00 -1.06 -1.68 -0.04 -1.26 -4.05 135.00 123.76 1wgx n PRO 31 Ca 0.07 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1wgx n PRO 31 Cb 0.55 -1.01 -0.14 0.00 -0.04 0.00 0.00 33.50 32.85 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 1.37 3.21 0.31 0.55 0.00 -1.26 -4.57 105.19 104.80 1wgx n GLY 32 Ca 0.00 -1.27 0.08 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 0.75 0.41 1.61 3.57 -1.89 0.88 116.94 125.17 1wgx h PHE 33 Ca 0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1wgx h PHE 33 Cb 1.36 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1wgx h PHE 33 CO 1.66 0.15 -0.20 -1.49 -2.23 0.00 0.00 178.31 176.21 1wgx h TRP 34 N 0.59 -0.52 -1.01 0.41 -0.00 -1.87 0.13 115.95 113.69 1wgx h TRP 34 Ca 0.47 -0.01 0.28 0.00 -0.00 0.00 0.00 58.89 59.63 1wgx h TRP 34 Cb 0.70 0.17 -0.06 0.00 -0.00 0.00 0.00 29.16 29.97 1wgx h TRP 34 CO -0.10 -0.26 0.70 0.66 -0.00 0.00 0.00 178.44 179.44 1wgx h SER 35 N -0.67 0.16 0.18 -3.49 4.64 -1.50 0.96 113.55 113.83 1wgx h SER 35 Ca -0.06 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1wgx h SER 35 Cb 0.49 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1wgx h SER 35 CO 0.09 0.04 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.68 1wgx h GLU 36 N 0.15 -0.23 -0.30 4.77 5.08 -0.08 -2.67 114.58 121.31 1wgx h GLU 36 Ca 0.51 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.97 1wgx h GLU 36 Cb 1.74 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1wgx h GLU 36 CO -0.10 -0.15 0.38 -0.39 -1.00 0.00 0.00 179.01 177.75 1wgx h VAL 37 N -0.62 0.33 0.00 3.13 -1.51 -0.03 1.54 116.25 119.09 1wgx h VAL 37 Ca -0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.40 1wgx h VAL 37 Cb 0.18 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 1wgx h VAL 37 CO 0.04 0.00 -0.22 0.00 -1.23 0.00 0.00 177.57 176.16 1wgx h ALA 38 N 1.52 0.93 0.57 5.19 0.00 0.92 -0.32 119.26 128.07 1wgx h ALA 38 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1wgx h ALA 38 Cb 0.90 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wgx h ALA 38 CO -0.00 0.28 -0.27 0.00 0.00 0.00 0.00 179.25 179.25 1wgx h ALA 39 N 1.78 -0.76 0.00 0.00 0.00 0.26 1.81 119.26 122.34 1wgx h ALA 39 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1wgx h ALA 39 Cb 0.91 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1wgx h ALA 39 CO 0.03 -0.89 -0.54 0.00 0.00 0.00 0.00 179.25 177.84 1wgx h ALA 40 N -0.43 0.81 -0.41 0.00 0.00 -1.56 -2.57 119.26 115.11 1wgx h ALA 40 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wgx h ALA 40 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wgx h ALA 40 CO 0.13 0.68 0.00 0.28 0.00 0.00 0.00 179.25 180.33 1wgx n VAL 41 N -3.47 0.54 -0.03 0.00 0.31 -0.13 -4.56 118.33 110.99 1wgx n VAL 41 Ca 0.00 -0.56 0.02 0.00 -0.01 0.00 0.00 64.34 63.80 1wgx n VAL 41 Cb 0.65 0.31 0.05 0.00 -0.91 0.00 0.00 33.84 33.94 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 1.19 -0.09 0.63 2.92 0.00 0.61 0.29 105.19 110.74 1wgx n GLY 42 Ca 0.15 0.08 0.44 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.88 1.61 2.88 -1.26 -4.41 113.62 106.11 1wgx n SER 43 Ca 0.03 0.88 -0.15 0.00 -1.33 0.00 0.00 58.87 58.30 1wgx n SER 43 Cb 0.11 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.63 0.68 -3.44 -1.46 5.12 0.84 -5.16 116.66 109.61 1wgx n ARG 44 Ca 0.37 -2.08 -0.22 0.00 -1.93 0.00 0.00 57.85 53.99 1wgx n ARG 44 Cb 1.79 1.18 -0.01 0.00 -1.16 0.00 0.00 32.46 34.26 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 -2.51 6.11 0.38 0.55 0.01 -1.26 -4.90 113.70 112.07 1wgx s SER 45 Ca 0.13 0.16 0.20 0.00 1.31 0.00 0.00 55.95 57.76 1wgx s SER 45 Cb 0.01 -1.67 0.56 0.00 0.21 0.00 0.00 66.02 65.13 1wgx s SER 45 CO 0.10 -0.38 1.67 1.55 0.41 0.00 0.00 173.24 176.59 1wgx h PRO 46 N 0.80 0.00 0.00 12.44 0.13 -1.90 -2.49 132.00 140.97 1wgx h PRO 46 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.33 -0.13 0.93 -0.23 0.00 0.00 178.00 179.48 1wgx h GLU 47 N 0.00 0.00 0.10 0.86 5.08 -1.94 -3.17 114.58 115.51 1wgx h GLU 47 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1wgx h GLU 47 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1wgx h GLU 47 CO 0.04 0.13 -1.68 0.93 -1.00 0.00 0.00 179.01 177.43 1wgx h GLU 48 N 0.00 0.22 -0.65 2.33 5.08 -1.91 -3.24 114.58 116.41 1wgx h GLU 48 Ca -0.00 -0.38 0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1wgx h GLU 48 Cb 0.92 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1wgx h GLU 48 CO 0.02 1.05 0.49 0.00 -1.00 0.00 0.00 179.01 179.56 1wgx h GLN 50 N 0.00 0.16 -0.09 0.00 4.15 -1.63 -1.51 115.11 116.19 1wgx h GLN 50 Ca 0.31 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1wgx h GLN 50 Cb 1.29 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.03 1wgx h GLN 50 CO -0.00 0.96 -0.01 0.00 -1.93 0.00 0.00 178.83 177.84 1wgx h ARG 51 N -0.56 0.16 0.41 1.69 3.08 -0.88 -0.26 114.38 118.02 1wgx h ARG 51 Ca -0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1wgx h ARG 51 Cb 1.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1wgx h ARG 51 CO 0.05 0.45 -0.22 -0.22 -1.07 0.00 0.00 179.97 178.97 1wgx h LYS 52 N -0.14 -0.55 -0.64 0.04 1.63 0.18 -2.69 116.57 114.40 1wgx h LYS 52 Ca 0.02 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 59.97 1wgx h LYS 52 Cb 0.38 0.13 -0.12 0.00 -0.60 0.00 0.00 32.23 32.02 1wgx h LYS 52 CO 0.01 -0.37 -0.32 -0.92 -3.45 0.00 0.00 179.45 174.39 1wgx h TYR 53 N -0.57 -0.88 -0.98 1.91 5.03 -1.35 0.27 116.97 120.39 1wgx h TYR 53 Ca -0.06 0.07 0.34 0.00 2.58 0.00 0.00 58.73 61.67 1wgx h TYR 53 Cb 0.45 0.48 -0.17 0.00 1.55 0.00 0.00 36.73 39.04 1wgx h TYR 53 CO 0.09 -0.38 0.36 0.52 -1.32 0.00 0.00 178.16 177.43 1wgx h MET 54 N -0.13 0.08 -0.26 1.82 2.86 -0.97 0.91 114.93 119.25 1wgx h MET 54 Ca 0.25 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1wgx h MET 54 Cb 0.55 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1wgx h MET 54 CO -0.71 0.05 0.16 0.93 1.06 0.00 0.00 176.91 178.40 1wgx h GLU 55 N 0.08 0.35 -2.64 1.72 5.08 -0.12 -3.31 114.58 115.75 1wgx h GLU 55 Ca 0.72 -0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 58.45 1wgx h GLU 55 Cb 1.71 -0.07 -0.41 0.00 0.50 0.00 0.00 28.75 30.48 1wgx h GLU 55 CO -0.77 0.26 -0.67 0.09 -1.00 0.00 0.00 179.01 176.92 1wgx n ASN 56 N -4.89 2.56 -2.78 1.42 3.02 0.30 -5.05 115.26 109.84 1wgx n ASN 56 Ca -0.02 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 1wgx n ASN 56 Cb 0.04 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1wgx n ASN 56 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wgx n PRO 57 N 1.70 0.30 -2.80 3.52 -0.04 0.06 -4.75 135.00 133.00 1wgx n PRO 57 Ca 0.24 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.27 1wgx n PRO 57 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 1wgx n PRO 57 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wgx s ARG 58 N -1.41 3.53 0.00 0.54 3.52 -1.26 -4.79 118.95 119.07 1wgx s ARG 58 Ca 0.00 -1.41 0.00 0.00 -0.13 0.00 0.00 55.73 54.19 1wgx s ARG 58 Cb 0.00 -4.94 0.00 0.00 -1.56 0.00 0.00 34.95 28.45 1wgx s ARG 58 CO 0.00 -1.92 0.00 0.41 -0.81 0.00 0.00 175.30 172.98 1wgx n GLY 59 N 5.88 3.96 2.76 8.12 0.00 -1.26 -5.14 105.19 119.51 1wgx n GLY 59 Ca 0.23 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 3.08 0.16 0.52 1.61 2.20 -1.26 -5.12 119.74 120.94 1wgx s LYS 60 Ca 0.00 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1wgx s LYS 60 Cb 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1wgx s LYS 60 CO 0.00 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1wgx n GLY 61 N 5.32 -0.84 3.37 5.54 0.00 -1.26 -4.98 105.19 112.34 1wgx n GLY 61 Ca -0.06 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.25 -0.05 -0.24 1.61 0.15 -1.26 -5.00 113.70 104.67 1wgx s SER 62 Ca 0.00 0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.55 1wgx s SER 62 Cb 0.00 1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 65.32 1wgx s SER 62 CO 0.00 -0.01 0.46 -1.58 1.20 0.00 0.00 173.24 173.31 1wgx s GLN 63 N 1.62 4.10 -0.30 5.44 2.00 -1.26 -4.99 119.66 126.27 1wgx s GLN 63 Ca -0.03 0.25 -0.08 0.00 -2.00 0.00 0.00 55.36 53.50 1wgx s GLN 63 Cb -0.01 -3.61 0.19 0.00 0.80 0.00 0.00 33.01 30.38 1wgx s GLN 63 CO -0.13 -0.23 0.95 0.15 -0.50 0.00 0.00 175.29 175.54 1wgx s LYS 64 N 1.90 0.23 -0.10 1.67 1.02 -1.26 -5.07 119.74 118.14 1wgx s LYS 64 Ca 0.20 0.19 -0.05 0.00 0.02 0.00 0.00 55.97 56.33 1wgx s LYS 64 Cb -0.15 0.10 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1wgx s LYS 64 CO 0.09 -0.43 -0.09 0.45 -0.92 0.00 0.00 175.35 174.45 1wgx h HIS 65 N 7.26 0.00 -7.01 3.18 3.86 -2.07 -3.48 115.15 116.89 1wgx h HIS 65 Ca -0.07 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.53 1wgx h HIS 65 Cb 1.18 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.56 1wgx h HIS 65 CO -0.06 0.00 -1.00 1.33 0.86 0.00 0.00 177.93 179.07 1wgx n VAL 66 N -4.19 -1.99 0.09 2.45 0.24 -1.26 -4.87 118.33 108.80 1wgx n VAL 66 Ca -0.04 -0.56 -0.04 0.00 -2.04 0.00 0.00 64.34 61.67 1wgx n VAL 66 Cb 0.13 -1.75 -0.02 0.00 -1.47 0.00 0.00 33.84 30.74 1wgx n VAL 66 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1wgx h THR 67 N -2.31 0.00 -2.94 3.34 2.02 -2.06 -3.49 112.91 107.47 1wgx h THR 67 Ca -0.69 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1wgx h THR 67 Cb 1.41 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1wgx h THR 67 CO 0.60 0.00 -0.72 -1.20 0.37 0.00 0.00 175.52 174.57 1wgx n SER 68 N -3.20 -7.04 0.00 4.18 7.64 -1.26 -5.01 113.62 108.93 1wgx n SER 68 Ca -0.03 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1wgx n SER 68 Cb 0.10 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.69 1wgx n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgx n GLY 69 N -0.92 -0.45 0.14 0.23 0.00 -1.26 -5.08 105.19 97.85 1wgx n GLY 69 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.23 -6.40 1.61 0.13 -2.07 -3.45 132.00 121.58 1wgx h PRO 70 Ca 0.00 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.55 1wgx h PRO 70 Cb 0.00 0.05 0.15 0.00 0.13 0.00 0.00 31.00 31.33 1wgx h PRO 70 CO 0.00 0.07 -0.32 0.45 -0.23 0.00 0.00 178.00 177.97 1wgx n SER 71 N -4.92 -0.60 0.07 1.44 2.88 -1.26 -4.93 113.62 106.30 1wgx n SER 71 Ca -0.06 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wgx n SER 71 Cb 0.20 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1wgx n SER 71 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgx n SER 72 N 1.06 0.70 0.00 -3.46 2.88 -1.26 -5.23 113.62 108.30 1wgx n SER 72 Ca 0.11 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1wgx n SER 72 Cb 0.40 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1wgx n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42