#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 -8.05 -4.70 1.61 7.64 -1.26 -4.84 113.62 104.02 1wgx n SER 2 Ca 0.00 1.43 -0.44 0.00 1.01 0.00 0.00 58.87 60.87 1wgx n SER 2 Cb 0.00 -4.39 -0.03 0.00 -1.01 0.00 0.00 64.21 58.78 1wgx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgx n SER 3 N 1.50 3.47 0.00 6.43 7.64 -1.26 -4.93 113.62 126.47 1wgx n SER 3 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1wgx n SER 3 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 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 3.12 1.10 3.56 0.23 0.00 -1.26 -5.04 105.19 106.90 1wgx n GLY 4 Ca 0.14 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 5.20 0.00 1.61 0.15 -1.26 -4.32 113.70 115.08 1wgx s SER 5 Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wgx s SER 5 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wgx s SER 5 CO 0.00 -2.38 0.00 -1.20 1.20 0.00 0.00 173.24 170.86 1wgx n SER 6 N 13.01 0.00 0.00 5.45 7.64 -1.26 -3.98 113.62 134.49 1wgx n SER 6 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1wgx n SER 6 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1wgx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgx n GLY 7 N 0.00 -1.24 3.57 0.23 0.00 -1.26 -4.99 105.19 101.49 1wgx n GLY 7 Ca 0.00 0.86 -0.16 0.00 0.00 0.00 0.00 46.02 46.72 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 3.97 -0.70 1.61 1.11 -1.26 -4.78 116.67 116.62 1wgx s ASP 8 Ca 0.00 -0.35 0.05 0.00 0.18 0.00 0.00 52.55 52.43 1wgx s ASP 8 Cb 0.00 -2.56 0.21 0.00 1.07 0.00 0.00 42.92 41.63 1wgx s ASP 8 CO 0.00 -3.93 0.63 1.17 1.18 0.00 0.00 175.17 174.22 1wgx n LYS 9 N 8.65 2.22 -3.80 8.23 4.81 -1.26 -5.03 118.16 131.98 1wgx n LYS 9 Ca 0.45 -4.57 -0.05 0.00 -0.87 0.00 0.00 58.31 53.27 1wgx n LYS 9 Cb 0.45 -2.29 -0.01 0.00 0.02 0.00 0.00 35.03 33.19 1wgx n LYS 9 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1wgx s GLU 10 N -1.92 1.42 0.57 1.64 2.02 -1.26 -5.17 118.70 116.00 1wgx s GLU 10 Ca 0.31 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 1wgx s GLU 10 Cb 0.04 0.48 0.03 0.00 0.10 0.00 0.00 34.13 34.77 1wgx s GLU 10 CO -0.10 -0.65 0.83 -1.58 0.02 0.00 0.00 175.26 173.78 1wgx s TRP 11 N -3.44 3.01 0.20 1.61 0.52 -1.26 -5.10 118.94 114.48 1wgx s TRP 11 Ca 0.12 0.25 0.06 0.00 0.02 0.00 0.00 56.10 56.55 1wgx s TRP 11 Cb -0.03 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1wgx s TRP 11 CO 0.04 -0.88 0.12 -0.80 0.02 0.00 0.00 176.95 175.46 1wgx s ASN 12 N -4.38 5.32 0.65 2.95 0.01 -1.26 -4.95 114.94 113.28 1wgx s ASN 12 Ca 0.55 -0.26 0.28 0.00 -0.71 0.00 0.00 52.86 52.73 1wgx s ASN 12 Cb -0.10 -1.31 1.55 0.00 0.41 0.00 0.00 41.25 41.80 1wgx s ASN 12 CO 0.41 0.03 1.87 -0.08 -1.51 0.00 0.00 177.10 177.82 1wgx h GLU 13 N 2.10 0.00 -0.17 -0.60 4.81 -1.99 0.53 114.58 119.26 1wgx h GLU 13 Ca -0.48 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.58 1wgx h GLU 13 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.60 1wgx h GLU 13 CO 0.61 0.00 -0.58 0.87 -0.73 0.00 0.00 179.01 179.18 1wgx h LYS 14 N 0.00 0.69 0.23 1.92 1.57 -1.99 -2.77 116.57 116.21 1wgx h LYS 14 Ca 0.00 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1wgx h LYS 14 Cb 0.69 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1wgx h LYS 14 CO 0.00 1.13 -0.11 0.93 -0.57 0.00 0.00 179.45 180.83 1wgx h GLU 15 N 0.38 -0.30 -0.41 3.15 4.39 -0.39 -2.90 114.58 118.49 1wgx h GLU 15 Ca -0.02 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1wgx h GLU 15 Cb 1.20 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1wgx h GLU 15 CO 0.12 -0.04 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.62 1wgx h LEU 16 N -1.02 -0.91 -1.03 1.33 -0.00 -1.29 1.75 115.31 114.15 1wgx h LEU 16 Ca -0.03 0.14 0.30 0.00 -0.00 0.00 0.00 57.88 58.28 1wgx h LEU 16 Cb 0.40 0.40 -0.14 0.00 -0.00 0.00 0.00 40.66 41.32 1wgx h LEU 16 CO 0.05 -0.10 0.59 0.06 -0.00 0.00 0.00 178.44 179.04 1wgx h GLN 17 N -0.01 0.40 0.06 1.13 3.07 -1.63 0.78 115.11 118.92 1wgx h GLN 17 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.78 1wgx h GLN 17 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1wgx h GLN 17 CO -0.39 0.27 -0.03 0.87 0.09 0.00 0.00 178.83 179.64 1wgx h LYS 18 N 0.42 -0.08 0.20 0.06 1.57 0.13 0.96 116.57 119.83 1wgx h LYS 18 Ca 0.70 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.50 1wgx h LYS 18 Cb 1.53 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.83 1wgx h LYS 18 CO -0.54 0.30 -0.30 1.25 -0.57 0.00 0.00 179.45 179.58 1wgx h LEU 19 N -0.47 -0.85 0.65 2.94 5.85 0.57 0.60 115.31 124.61 1wgx h LEU 19 Ca -0.01 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1wgx h LEU 19 Cb 0.41 0.31 0.01 0.00 0.37 0.00 0.00 40.66 41.76 1wgx h LEU 19 CO 0.01 -0.41 -0.31 0.45 -0.34 0.00 0.00 178.44 177.84 1wgx h HIS 20 N -0.57 -0.81 0.00 1.25 3.86 0.34 0.47 115.15 119.69 1wgx h HIS 20 Ca 0.01 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1wgx h HIS 20 Cb 0.56 0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1wgx h HIS 20 CO -0.23 -0.49 0.00 0.00 0.86 0.00 0.00 177.93 178.07 1wgx h ALA 22 N -1.32 -0.08 -0.94 0.00 0.00 0.19 1.77 119.26 118.89 1wgx h ALA 22 Ca 0.00 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.33 1wgx h ALA 22 Cb 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1wgx h ALA 22 CO 0.00 -0.70 0.66 0.35 0.00 0.00 0.00 179.25 179.56 1wgx h PHE 23 N -0.16 0.15 0.00 0.00 3.04 0.11 1.41 116.94 121.48 1wgx h PHE 23 Ca 0.23 0.00 -0.05 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 -0.67 0.03 -0.45 0.00 -2.02 0.00 0.00 178.31 175.20 1wgx h ALA 24 N 1.55 0.06 0.04 2.41 0.00 0.92 -3.39 119.26 120.85 1wgx h ALA 24 Ca 0.46 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wgx h ALA 24 Cb 1.67 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 1wgx h ALA 24 CO -0.06 0.32 -0.31 1.03 0.00 0.00 0.00 179.25 180.23 1wgx h SER 25 N -1.00 -0.91 -4.07 0.00 0.87 0.29 -3.41 113.55 105.31 1wgx h SER 25 Ca -0.08 0.12 -0.47 0.00 -1.23 0.00 0.00 61.79 60.13 1wgx h SER 25 Cb 0.65 0.36 0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1wgx h SER 25 CO -0.05 -0.38 0.38 -0.76 -0.53 0.00 0.00 176.83 175.49 1wgx s LEU 26 N -10.34 3.84 0.41 2.23 1.43 0.47 -5.01 118.68 111.72 1wgx s LEU 26 Ca -0.16 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.63 1wgx s LEU 26 Cb 0.09 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 1wgx s LEU 26 CO 0.65 -0.77 1.05 -2.16 0.23 0.00 0.00 176.35 175.35 1wgx s PRO 27 N -3.25 4.11 0.00 1.29 0.04 -1.26 -4.67 135.00 131.26 1wgx s PRO 27 Ca 0.67 1.50 0.27 0.00 0.04 0.00 0.00 61.00 63.48 1wgx s PRO 27 Cb -0.16 -2.48 0.77 0.00 0.04 0.00 0.00 34.50 32.67 1wgx s PRO 27 CO 0.20 -0.19 1.58 1.63 0.04 0.00 0.00 177.00 180.26 1wgx n LYS 28 N -0.20 1.64 -0.82 4.56 4.01 -1.26 -3.67 118.16 122.42 1wgx n LYS 28 Ca 0.06 -1.09 0.08 0.00 -0.51 0.00 0.00 58.31 56.85 1wgx n LYS 28 Cb 0.50 -1.48 0.39 0.00 -0.51 0.00 0.00 35.03 33.93 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 0.27 1.91 -2.92 2.13 1.44 -1.26 -4.95 115.22 111.83 1wgx n HIS 29 Ca 0.16 -0.72 -0.21 0.00 -2.01 0.00 0.00 57.72 54.95 1wgx n HIS 29 Cb 0.41 -0.45 0.02 0.00 0.12 0.00 0.00 29.99 30.09 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 -2.59 2.84 0.00 -1.40 1.02 -1.24 -5.08 119.74 113.29 1wgx s LYS 30 Ca 0.53 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1wgx s LYS 30 Cb 0.40 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1wgx s LYS 30 CO 0.17 -0.40 0.18 -0.35 -0.92 0.00 0.00 175.35 174.03 1wgx n PRO 31 N -2.09 0.00 -1.04 -1.68 -0.04 -1.26 -4.11 135.00 124.77 1wgx n PRO 31 Ca 0.05 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1wgx n PRO 31 Cb 0.59 -0.83 -0.12 0.00 -0.04 0.00 0.00 33.50 33.10 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 1.55 3.29 0.28 0.55 0.00 -1.26 -4.59 105.19 105.01 1wgx n GLY 32 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 2.70 0.44 -0.06 1.61 3.57 -1.89 0.17 116.94 123.47 1wgx h PHE 33 Ca 0.22 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1wgx h PHE 33 Cb 1.26 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1wgx h PHE 33 CO 1.49 -0.03 0.04 -1.49 -2.23 0.00 0.00 178.31 176.10 1wgx h TRP 34 N 0.36 0.08 -0.86 0.41 -0.00 -1.87 0.14 115.95 114.21 1wgx h TRP 34 Ca 0.45 0.00 0.16 0.00 -0.00 0.00 0.00 58.89 59.50 1wgx h TRP 34 Cb 0.76 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 29.83 1wgx h TRP 34 CO -0.20 0.05 0.56 0.66 -0.00 0.00 0.00 178.44 179.51 1wgx h SER 35 N 0.09 0.53 0.30 -3.49 4.64 -1.09 0.76 113.55 115.28 1wgx h SER 35 Ca 0.02 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1wgx h SER 35 Cb -0.01 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wgx h SER 35 CO -0.01 0.26 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.74 1wgx h GLU 36 N 0.55 -0.39 -0.28 4.77 5.08 0.30 -2.41 114.58 122.21 1wgx h GLU 36 Ca 0.43 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.90 1wgx h GLU 36 Cb 0.86 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1wgx h GLU 36 CO -0.18 -0.26 0.38 -0.39 -1.00 0.00 0.00 179.01 177.56 1wgx h VAL 37 N -0.71 0.30 0.00 3.13 -1.51 -0.42 1.62 116.25 118.66 1wgx h VAL 37 Ca -0.04 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1wgx h VAL 37 Cb 0.31 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 1wgx h VAL 37 CO 0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 177.57 176.22 1wgx h ALA 38 N 1.51 0.94 0.54 5.19 0.00 0.61 -0.68 119.26 127.36 1wgx h ALA 38 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wgx h ALA 38 Cb 0.89 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wgx h ALA 38 CO -0.00 0.23 -0.26 0.00 0.00 0.00 0.00 179.25 179.22 1wgx h ALA 39 N 1.82 -0.73 0.00 0.00 0.00 0.29 1.96 119.26 122.60 1wgx h ALA 39 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1wgx h ALA 39 Cb 0.90 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1wgx h ALA 39 CO 0.02 -0.86 -0.46 0.00 0.00 0.00 0.00 179.25 177.95 1wgx h ALA 40 N -0.41 0.86 -0.44 0.00 0.00 -1.56 -2.51 119.26 115.19 1wgx h ALA 40 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wgx h ALA 40 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wgx h ALA 40 CO 0.12 0.58 0.00 0.28 0.00 0.00 0.00 179.25 180.23 1wgx n VAL 41 N -3.44 0.58 -0.04 0.00 0.31 -0.27 -4.58 118.33 110.91 1wgx n VAL 41 Ca 0.00 -0.62 0.03 0.00 -0.01 0.00 0.00 64.34 63.74 1wgx n VAL 41 Cb 0.61 0.38 0.05 0.00 -0.91 0.00 0.00 33.84 33.97 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 1.27 -0.10 0.63 2.92 0.00 0.66 0.29 105.19 110.86 1wgx n GLY 42 Ca 0.16 0.09 0.44 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.46 0.00 -3.04 1.61 2.88 -1.26 -4.41 113.62 105.94 1wgx n SER 43 Ca 0.04 0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 58.29 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 -3.62 0.64 -3.26 -1.46 5.12 0.84 -5.16 116.66 109.76 1wgx n ARG 44 Ca 0.37 -2.35 -0.22 0.00 -1.93 0.00 0.00 57.85 53.71 1wgx n ARG 44 Cb 1.79 1.36 -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 -2.70 6.04 0.35 0.55 0.01 -1.26 -4.90 113.70 111.79 1wgx s SER 45 Ca 0.16 0.25 0.18 0.00 1.31 0.00 0.00 55.95 57.85 1wgx s SER 45 Cb 0.01 -1.68 0.49 0.00 0.21 0.00 0.00 66.02 65.05 1wgx s SER 45 CO 0.11 -0.48 1.64 1.55 0.41 0.00 0.00 173.24 176.47 1wgx h PRO 46 N 0.64 0.00 0.00 12.44 0.13 -1.90 -2.57 132.00 140.74 1wgx h PRO 46 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.40 -0.13 0.93 -0.23 0.00 0.00 178.00 179.56 1wgx h GLU 47 N 0.00 0.00 0.09 0.86 5.08 -1.94 -3.12 114.58 115.55 1wgx h GLU 47 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1wgx h GLU 47 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1wgx h GLU 47 CO 0.05 0.13 -1.63 0.93 -1.00 0.00 0.00 179.01 177.49 1wgx h GLU 48 N 0.00 0.20 -0.61 2.33 5.08 -1.91 -3.22 114.58 116.44 1wgx h GLU 48 Ca -0.00 -0.34 0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1wgx h GLU 48 Cb 0.86 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1wgx h GLU 48 CO 0.02 1.01 0.45 0.00 -1.00 0.00 0.00 179.01 179.49 1wgx h GLN 50 N 0.00 -0.15 -0.66 0.00 4.15 -1.62 -2.27 115.11 114.56 1wgx h GLN 50 Ca 0.29 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.84 1wgx h GLN 50 Cb 1.19 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.83 1wgx h GLN 50 CO -0.00 0.23 0.20 0.00 -1.93 0.00 0.00 178.83 177.32 1wgx h ARG 51 N -0.96 0.33 0.67 1.69 3.08 -1.27 0.28 114.38 118.19 1wgx h ARG 51 Ca -0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1wgx h ARG 51 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1wgx h ARG 51 CO 0.03 0.22 -0.35 -0.22 -1.07 0.00 0.00 179.97 178.57 1wgx h LYS 52 N 0.34 -0.90 -0.74 0.04 1.63 -0.57 -2.24 116.57 114.12 1wgx h LYS 52 Ca 0.35 0.06 0.16 0.00 -0.85 0.00 0.00 60.65 60.37 1wgx h LYS 52 Cb 0.52 0.21 -0.14 0.00 -0.60 0.00 0.00 32.23 32.22 1wgx h LYS 52 CO -0.40 -0.60 -0.10 -0.92 -3.45 0.00 0.00 179.45 173.98 1wgx h TYR 53 N -0.94 -0.24 -1.00 1.91 3.20 -0.91 0.56 116.97 119.55 1wgx h TYR 53 Ca -0.09 0.06 0.21 0.00 3.14 0.00 0.00 58.73 62.05 1wgx h TYR 53 Cb 0.73 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 39.12 1wgx h TYR 53 CO 0.02 -0.28 0.62 0.52 -1.64 0.00 0.00 178.16 177.39 1wgx h MET 54 N 0.04 0.62 -0.04 1.82 2.86 -0.29 0.81 114.93 120.75 1wgx h MET 54 Ca 0.38 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1wgx h MET 54 Cb 0.62 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1wgx h MET 54 CO -0.71 0.41 -0.26 0.93 1.06 0.00 0.00 176.91 178.34 1wgx h GLU 55 N 0.64 0.24 -2.62 1.72 4.39 0.61 -3.38 114.58 116.18 1wgx h GLU 55 Ca 0.58 -0.21 -0.60 0.00 0.34 0.00 0.00 59.36 59.47 1wgx h GLU 55 Cb 1.08 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 29.37 1wgx h GLU 55 CO -0.36 0.88 -0.68 0.09 -1.16 0.00 0.00 179.01 177.78 1wgx n ASN 56 N -4.50 2.53 0.05 1.42 3.02 0.15 -4.33 115.26 113.60 1wgx n ASN 56 Ca -0.09 -3.13 -0.08 0.00 -0.03 0.00 0.00 54.58 51.25 1wgx n ASN 56 Cb 0.48 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 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 4.92 -0.21 -0.41 3.52 0.13 0.37 -3.41 132.00 136.91 1wgx h PRO 57 Ca 0.17 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.44 1wgx h PRO 57 Cb 0.76 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 31.75 1wgx h PRO 57 CO 0.69 0.14 -0.15 1.03 -0.23 0.00 0.00 178.00 179.47 1wgx s ARG 58 N -2.87 0.29 0.00 0.86 0.52 -1.26 -5.05 118.95 111.45 1wgx s ARG 58 Ca -0.10 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1wgx s ARG 58 Cb 0.00 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1wgx s ARG 58 CO 0.35 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1wgx n GLY 59 N 4.43 0.57 0.04 -3.53 0.00 -1.26 -4.93 105.19 100.51 1wgx n GLY 59 Ca 0.08 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1wgx n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wgx n LYS 60 N 0.00 0.26 0.00 1.61 4.81 -1.26 -5.05 118.16 118.53 1wgx n LYS 60 Ca 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1wgx n LYS 60 Cb 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.06 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 1.50 2.59 1.58 3.14 0.00 -1.26 -4.79 105.19 107.95 1wgx n GLY 61 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 1.18 -8.36 -3.61 1.61 7.64 -1.26 -5.03 113.62 105.79 1wgx n SER 62 Ca 0.00 1.16 -0.04 0.00 1.01 0.00 0.00 58.87 61.00 1wgx n SER 62 Cb 0.00 -4.23 -0.01 0.00 -1.01 0.00 0.00 64.21 58.96 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 -2.66 0.63 -0.28 1.43 0.00 -1.26 -5.09 119.66 112.43 1wgx s GLN 63 Ca 0.00 -0.29 -0.19 0.00 -0.00 0.00 0.00 55.36 54.87 1wgx s GLN 63 Cb 0.00 0.25 0.11 0.00 0.00 0.00 0.00 33.01 33.37 1wgx s GLN 63 CO 0.00 -0.28 0.87 -1.59 0.00 0.00 0.00 175.29 174.28 1wgx s LYS 64 N -2.76 0.57 -0.14 9.60 -2.85 -1.26 -5.17 119.74 117.73 1wgx s LYS 64 Ca 0.10 0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 55.64 1wgx s LYS 64 Cb 0.01 0.17 0.12 0.00 -2.06 0.00 0.00 37.83 36.07 1wgx s LYS 64 CO -0.04 -0.10 0.99 -3.38 0.10 0.00 0.00 175.35 172.92 1wgx s HIS 65 N 1.07 -0.36 -0.37 1.78 -3.43 -1.26 -5.12 115.29 107.60 1wgx s HIS 65 Ca -0.06 0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 1wgx s HIS 65 Cb -0.05 0.46 0.14 0.00 -1.43 0.00 0.00 32.58 31.70 1wgx s HIS 65 CO -0.13 -0.37 0.21 0.14 -2.00 0.00 0.00 174.74 172.60 1wgx s VAL 66 N -1.41 0.40 -0.28 -5.38 -7.23 -1.26 -5.09 120.40 100.14 1wgx s VAL 66 Ca -0.01 -1.83 -0.25 0.00 -1.81 0.00 0.00 61.98 58.08 1wgx s VAL 66 Cb -0.01 -1.29 0.11 0.00 0.56 0.00 0.00 36.38 35.75 1wgx s VAL 66 CO 0.00 -0.95 0.94 0.28 -0.31 0.00 0.00 175.10 175.06 1wgx s THR 67 N 0.98 0.00 0.02 5.32 -1.32 -1.26 -5.18 115.64 114.21 1wgx s THR 67 Ca 0.17 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1wgx s THR 67 Cb -0.23 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.74 1wgx s THR 67 CO -0.01 0.00 -0.03 -0.55 -2.21 0.00 0.00 174.62 171.82 1wgx s SER 68 N 0.33 0.27 -0.26 8.08 0.15 -1.26 -4.99 113.70 116.01 1wgx s SER 68 Ca 0.02 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 1wgx s SER 68 Cb -0.05 0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1wgx s SER 68 CO -0.05 -0.33 0.14 0.61 1.20 0.00 0.00 173.24 174.81 1wgx n GLY 69 N 1.43 -2.53 0.11 9.45 0.00 -1.26 -4.96 105.19 107.44 1wgx n GLY 69 Ca -0.23 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 2.96 -0.15 0.00 1.61 0.13 -2.06 -3.48 132.00 131.00 1wgx h PRO 70 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1wgx h PRO 70 Cb 0.49 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1wgx h PRO 70 CO 0.10 0.30 0.00 -1.13 -0.23 0.00 0.00 178.00 177.04 1wgx n SER 71 N -4.86 -1.37 -4.73 1.44 3.41 -1.26 -5.15 113.62 101.10 1wgx n SER 71 Ca -0.07 0.58 -0.24 0.00 -0.26 0.00 0.00 58.87 58.88 1wgx n SER 71 Cb 0.26 1.57 -0.07 0.00 -0.26 0.00 0.00 64.21 65.71 1wgx n SER 71 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wgx s SER 72 N -2.00 4.51 0.00 4.04 0.01 -1.26 -5.31 113.70 113.69 1wgx s SER 72 Ca 0.00 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1wgx s SER 72 Cb 0.00 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1wgx s SER 72 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84