#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 4.99 -0.05 1.61 0.01 -1.26 -5.07 113.70 113.94 1wgx s SER 2 Ca 0.00 1.29 -0.31 0.00 1.31 0.00 0.00 55.95 58.24 1wgx s SER 2 Cb 0.00 -2.08 0.13 0.00 0.21 0.00 0.00 66.02 64.28 1wgx s SER 2 CO 0.00 -1.65 1.35 -0.44 0.41 0.00 0.00 173.24 172.91 1wgx s SER 3 N -4.05 -0.04 0.00 2.44 0.01 -1.26 -5.19 113.70 105.62 1wgx s SER 3 Ca 0.59 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1wgx s SER 3 Cb -0.13 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1wgx s SER 3 CO 0.53 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1wgx n GLY 4 N -0.49 3.82 2.66 3.44 0.00 -1.26 -5.13 105.19 108.23 1wgx n GLY 4 Ca -0.09 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 1.76 -0.05 1.61 0.15 -1.26 -5.12 113.70 110.79 1wgx s SER 5 Ca 0.00 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.38 1wgx s SER 5 Cb 0.00 -0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1wgx s SER 5 CO 0.00 -0.29 0.00 -0.94 1.20 0.00 0.00 173.24 173.22 1wgx s SER 6 N 2.12 1.18 0.00 5.45 1.04 -1.26 -4.93 113.70 117.29 1wgx s SER 6 Ca 0.03 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1wgx s SER 6 Cb -0.14 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1wgx s SER 6 CO -0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1wgx n GLY 7 N 4.79 0.38 3.15 7.32 0.00 -1.26 -5.14 105.19 114.44 1wgx n GLY 7 Ca -0.13 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.14 1wgx n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wgx s ASP 8 N -0.01 -0.27 -0.89 1.61 -1.08 -1.26 -5.08 116.67 109.68 1wgx s ASP 8 Ca 0.00 0.05 -0.25 0.00 -0.52 0.00 0.00 52.55 51.83 1wgx s ASP 8 Cb 0.00 1.18 -0.21 0.00 -1.46 0.00 0.00 42.92 42.43 1wgx s ASP 8 CO 0.00 -0.05 2.52 1.17 0.52 0.00 0.00 175.17 179.33 1wgx n LYS 9 N 5.14 0.23 -3.83 4.34 0.00 -1.26 -4.78 118.16 118.01 1wgx n LYS 9 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1wgx n LYS 9 Cb 0.57 -1.91 -0.03 0.00 0.00 0.00 0.00 35.03 33.67 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 8.46 1.63 0.55 1.64 2.02 -1.26 -5.18 118.70 126.57 1wgx s GLU 10 Ca 1.25 -0.97 0.09 0.00 0.02 0.00 0.00 54.97 55.36 1wgx s GLU 10 Cb -0.90 0.57 0.09 0.00 0.10 0.00 0.00 34.13 33.99 1wgx s GLU 10 CO 0.44 -0.73 0.75 0.91 0.02 0.00 0.00 175.26 176.65 1wgx n TRP 11 N -0.42 -2.23 -4.38 1.61 7.02 -1.26 -5.13 117.44 112.64 1wgx n TRP 11 Ca -0.06 -2.04 -0.23 0.00 -1.02 0.00 0.00 57.50 54.16 1wgx n TRP 11 Cb 0.61 -0.52 -0.11 0.00 -2.42 0.00 0.00 31.31 28.87 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 -4.43 3.00 0.22 -0.99 2.20 -1.26 -4.95 114.94 108.73 1wgx s ASN 12 Ca 0.57 -0.93 -0.15 0.00 -0.94 0.00 0.00 52.86 51.40 1wgx s ASN 12 Cb -0.05 -0.20 0.25 0.00 -2.00 0.00 0.00 41.25 39.25 1wgx s ASN 12 CO 0.36 -0.02 1.44 1.21 -2.94 0.00 0.00 177.10 177.15 1wgx n GLU 13 N -0.06 -0.20 -0.29 3.55 2.13 -1.26 0.19 120.64 124.70 1wgx n GLU 13 Ca -0.10 1.43 0.10 0.00 0.66 0.00 0.00 57.16 59.25 1wgx n GLU 13 Cb 0.58 -2.12 0.24 0.00 0.27 0.00 0.00 31.44 30.41 1wgx n GLU 13 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1wgx h LYS 14 N 0.00 0.11 0.31 5.31 6.56 -1.98 0.84 116.57 127.72 1wgx h LYS 14 Ca 0.34 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.90 1wgx h LYS 14 Cb 0.57 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1wgx h LYS 14 CO -0.92 0.07 -0.15 0.93 -2.06 0.00 0.00 179.45 177.32 1wgx h GLU 15 N 0.11 -0.40 -0.12 3.15 5.08 0.17 -2.51 114.58 120.05 1wgx h GLU 15 Ca 0.51 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.92 1wgx h GLU 15 Cb 1.00 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1wgx h GLU 15 CO -0.73 -0.10 -0.20 -0.07 -1.00 0.00 0.00 179.01 176.91 1wgx h LEU 16 N -0.98 -0.65 -1.00 1.33 -0.00 0.10 1.06 115.31 115.17 1wgx h LEU 16 Ca -0.04 0.08 0.34 0.00 -0.00 0.00 0.00 57.88 58.26 1wgx h LEU 16 Cb 0.49 0.26 -0.16 0.00 -0.00 0.00 0.00 40.66 41.26 1wgx h LEU 16 CO 0.07 -0.15 0.55 0.06 -0.00 0.00 0.00 178.44 178.97 1wgx h GLN 17 N -0.15 0.25 -0.50 1.13 3.07 0.52 1.74 115.11 121.16 1wgx h GLN 17 Ca 0.02 -0.02 -0.13 0.00 0.09 0.00 0.00 58.65 58.62 1wgx h GLN 17 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 1wgx h GLN 17 CO -0.20 0.17 -0.18 0.87 0.09 0.00 0.00 178.83 179.58 1wgx h LYS 18 N 0.26 1.01 0.13 0.06 1.57 -0.14 1.37 116.57 120.82 1wgx h LYS 18 Ca 0.75 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1wgx h LYS 18 Cb 1.77 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1wgx h LYS 18 CO -0.64 1.09 -0.06 1.25 -0.57 0.00 0.00 179.45 180.52 1wgx h LEU 19 N 0.88 -0.15 0.34 2.94 5.85 1.02 -1.20 115.31 124.99 1wgx h LEU 19 Ca 0.12 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1wgx h LEU 19 Cb 0.76 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1wgx h LEU 19 CO 0.06 0.21 -0.16 0.45 -0.34 0.00 0.00 178.44 178.66 1wgx h HIS 20 N -0.53 -0.42 0.00 1.25 3.86 0.62 0.25 115.15 120.18 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 0.42 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1wgx h HIS 20 CO 0.04 -0.12 0.00 0.00 0.86 0.00 0.00 177.93 178.71 1wgx h ALA 22 N -1.25 0.04 -0.93 0.00 0.00 -1.28 1.75 119.26 117.58 1wgx h ALA 22 Ca 0.00 0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.33 1wgx h ALA 22 Cb 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1wgx h ALA 22 CO 0.00 -0.61 0.67 0.35 0.00 0.00 0.00 179.25 179.66 1wgx h PHE 23 N -0.15 0.02 0.00 0.00 3.04 0.94 1.23 116.94 122.02 1wgx h PHE 23 Ca 0.21 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.06 1wgx h PHE 23 Cb 0.49 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 1wgx h PHE 23 CO -0.52 0.00 -0.77 0.00 -2.02 0.00 0.00 178.31 175.01 1wgx h ALA 24 N 1.54 0.12 -0.19 2.41 0.00 0.79 -3.39 119.26 120.54 1wgx h ALA 24 Ca 0.45 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1wgx h ALA 24 Cb 1.77 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 20.03 1wgx h ALA 24 CO -0.01 0.52 -0.23 0.77 0.00 0.00 0.00 179.25 180.30 1wgx h SER 25 N -1.00 -0.72 -3.84 0.00 0.02 0.30 -3.41 113.55 104.90 1wgx h SER 25 Ca -0.16 0.13 -0.47 0.00 -0.84 0.00 0.00 61.79 60.45 1wgx h SER 25 Cb 0.86 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1wgx h SER 25 CO -0.09 -0.27 0.24 -0.76 -1.14 0.00 0.00 176.83 174.81 1wgx s LEU 26 N -10.47 4.15 0.55 5.07 1.43 0.42 -5.04 118.68 114.78 1wgx s LEU 26 Ca -0.15 1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 54.37 1wgx s LEU 26 Cb 0.11 -4.11 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 1wgx s LEU 26 CO 0.68 -0.17 1.04 -2.16 0.23 0.00 0.00 176.35 175.97 1wgx s PRO 27 N -2.60 3.55 0.00 1.29 0.04 -1.26 -4.63 135.00 131.39 1wgx s PRO 27 Ca 0.53 1.23 0.25 0.00 0.04 0.00 0.00 61.00 63.06 1wgx s PRO 27 Cb -0.13 -2.06 0.56 0.00 0.04 0.00 0.00 34.50 32.90 1wgx s PRO 27 CO 0.18 -0.63 1.44 1.63 0.04 0.00 0.00 177.00 179.67 1wgx n LYS 28 N -1.62 0.93 0.00 4.56 4.01 -1.26 -3.62 118.16 121.15 1wgx n LYS 28 Ca 0.09 -0.62 0.13 0.00 -0.51 0.00 0.00 58.31 57.40 1wgx n LYS 28 Cb 0.53 -1.49 0.45 0.00 -0.51 0.00 0.00 35.03 34.01 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 -0.50 0.03 -1.21 2.13 1.44 -1.26 -4.88 115.22 110.97 1wgx n HIS 29 Ca 0.11 0.01 -0.31 0.00 -2.01 0.00 0.00 57.72 55.53 1wgx n HIS 29 Cb 0.38 -0.40 0.11 0.00 0.12 0.00 0.00 29.99 30.20 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 -3.00 1.84 0.00 -1.40 1.02 -1.24 -5.02 119.74 111.93 1wgx s LYS 30 Ca 0.12 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.18 1wgx s LYS 30 Cb 0.18 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 1wgx s LYS 30 CO 0.61 -1.91 0.19 -0.35 -0.92 0.00 0.00 175.35 172.97 1wgx n PRO 31 N -3.69 0.00 -1.04 -1.68 -0.04 -1.26 -4.08 135.00 123.21 1wgx n PRO 31 Ca 0.08 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.67 1wgx n PRO 31 Cb 0.54 -0.91 -0.15 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.47 3.16 0.34 0.55 0.00 -1.26 -4.56 105.19 104.89 1wgx n GLY 32 Ca 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.84 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 3.25 0.99 0.02 1.61 3.57 -1.89 0.10 116.94 124.59 1wgx h PHE 33 Ca 0.28 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1wgx h PHE 33 Cb 1.36 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1wgx h PHE 33 CO 1.80 0.33 -0.01 -1.49 -2.23 0.00 0.00 178.31 176.71 1wgx h TRP 34 N 0.83 -0.03 -0.80 0.41 -0.00 -1.87 0.13 115.95 114.62 1wgx h TRP 34 Ca 0.49 -0.00 0.18 0.00 -0.00 0.00 0.00 58.89 59.55 1wgx h TRP 34 Cb 0.58 0.01 -0.05 0.00 -0.00 0.00 0.00 29.16 29.69 1wgx h TRP 34 CO -0.03 0.19 0.54 0.66 -0.00 0.00 0.00 178.44 179.79 1wgx h SER 35 N -0.24 0.34 0.20 -3.49 4.64 -1.48 0.77 113.55 114.29 1wgx h SER 35 Ca -0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1wgx h SER 35 Cb 0.23 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1wgx h SER 35 CO 0.01 0.16 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.70 1wgx h GLU 36 N 0.35 -0.25 -0.30 4.77 5.08 -0.25 -2.71 114.58 121.27 1wgx h GLU 36 Ca 0.40 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 1wgx h GLU 36 Cb 1.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1wgx h GLU 36 CO -0.12 -0.17 0.42 -0.39 -1.00 0.00 0.00 179.01 177.74 1wgx h VAL 37 N -0.65 0.27 0.00 3.13 -1.51 -0.39 1.62 116.25 118.73 1wgx h VAL 37 Ca -0.03 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.37 1wgx h VAL 37 Cb 0.20 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1wgx h VAL 37 CO 0.04 0.00 -0.36 0.00 -1.23 0.00 0.00 177.57 176.02 1wgx h ALA 38 N 1.45 0.92 0.57 5.19 0.00 0.57 0.07 119.26 128.02 1wgx h ALA 38 Ca 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wgx h ALA 38 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wgx h ALA 38 CO -0.00 0.45 -0.30 0.00 0.00 0.00 0.00 179.25 179.40 1wgx h ALA 39 N 1.64 -0.81 0.00 0.00 0.00 0.27 1.92 119.26 122.28 1wgx h ALA 39 Ca -0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1wgx h ALA 39 Cb 0.98 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1wgx h ALA 39 CO 0.05 -0.96 -0.71 0.00 0.00 0.00 0.00 179.25 177.63 1wgx h ALA 40 N -0.39 0.78 -0.29 0.00 0.00 -1.56 -2.57 119.26 115.22 1wgx h ALA 40 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1wgx h ALA 40 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wgx h ALA 40 CO 0.10 0.89 0.00 0.28 0.00 0.00 0.00 179.25 180.52 1wgx n VAL 41 N -3.62 0.38 -0.04 0.00 0.31 0.01 -4.52 118.33 110.86 1wgx n VAL 41 Ca -0.01 -0.40 0.03 0.00 -0.01 0.00 0.00 64.34 63.95 1wgx n VAL 41 Cb 0.71 0.22 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 1.01 -0.11 0.64 2.92 0.00 0.65 0.29 105.19 110.59 1wgx n GLY 42 Ca 0.11 0.10 0.46 0.00 0.00 0.00 0.00 46.02 46.69 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 -3.46 0.00 -2.95 1.61 3.41 -1.26 -4.42 113.62 106.55 1wgx n SER 43 Ca 0.04 0.89 -0.16 0.00 -0.26 0.00 0.00 58.87 59.38 1wgx n SER 43 Cb 0.13 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 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 -3.68 0.59 -3.15 4.33 5.12 0.83 -5.16 116.66 115.55 1wgx n ARG 44 Ca 0.38 -2.31 -0.23 0.00 -1.93 0.00 0.00 57.85 53.77 1wgx n ARG 44 Cb 1.82 1.41 0.00 0.00 -1.16 0.00 0.00 32.46 34.53 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 -2.66 5.95 0.29 0.55 0.01 -1.26 -4.89 113.70 111.68 1wgx s SER 45 Ca 0.17 0.25 0.14 0.00 1.31 0.00 0.00 55.95 57.82 1wgx s SER 45 Cb 0.01 -1.60 0.33 0.00 0.21 0.00 0.00 66.02 64.97 1wgx s SER 45 CO 0.12 -0.57 1.57 1.55 0.41 0.00 0.00 173.24 176.32 1wgx h PRO 46 N 0.55 0.00 0.00 12.44 0.13 -1.90 -2.34 132.00 140.88 1wgx h PRO 46 Ca -0.47 0.00 -0.05 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 0.58 0.57 -0.22 0.93 -0.23 0.00 0.00 178.00 179.62 1wgx h GLU 47 N 0.00 0.00 0.04 0.86 5.08 -1.95 -3.06 114.58 115.55 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 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1wgx h GLU 47 CO 0.07 0.22 -1.51 0.93 -1.00 0.00 0.00 179.01 177.72 1wgx h GLU 48 N 0.00 0.09 -0.20 2.33 4.39 -1.92 -3.20 114.58 116.06 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 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1wgx h GLU 48 CO 0.03 0.83 0.17 0.00 -1.16 0.00 0.00 179.01 178.89 1wgx h GLN 50 N 0.00 -0.03 -0.90 0.00 4.15 -1.61 -2.04 115.11 114.68 1wgx h GLN 50 Ca 0.09 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.60 1wgx h GLN 50 Cb 0.44 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.07 1wgx h GLN 50 CO -0.00 0.66 0.58 0.00 -1.93 0.00 0.00 178.83 178.14 1wgx h ARG 51 N -0.94 0.92 0.66 1.69 3.08 -1.34 0.44 114.38 118.89 1wgx h ARG 51 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1wgx h ARG 51 Cb 0.70 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1wgx h ARG 51 CO 0.01 0.61 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.98 1wgx h LYS 52 N 0.95 -0.85 -0.53 0.04 1.63 -0.52 -3.08 116.57 114.22 1wgx h LYS 52 Ca 0.41 0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.37 1wgx h LYS 52 Cb 0.32 0.19 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 1wgx h LYS 52 CO -0.17 -0.57 -0.01 -0.92 -3.45 0.00 0.00 179.45 174.34 1wgx h TYR 53 N -1.21 -0.04 -1.04 1.91 5.03 -1.03 0.48 116.97 121.07 1wgx h TYR 53 Ca -0.09 0.04 0.35 0.00 2.58 0.00 0.00 58.73 61.61 1wgx h TYR 53 Cb 0.68 0.10 -0.15 0.00 1.55 0.00 0.00 36.73 38.91 1wgx h TYR 53 CO 0.00 -0.13 0.60 0.52 -1.32 0.00 0.00 178.16 177.84 1wgx h MET 54 N 0.11 0.24 -0.04 1.82 2.86 -0.14 0.60 114.93 120.38 1wgx h MET 54 Ca 0.27 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1wgx h MET 54 Cb 0.41 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.02 1wgx h MET 54 CO -0.45 0.16 -0.48 0.93 1.06 0.00 0.00 176.91 178.13 1wgx h GLU 55 N 0.25 0.40 -2.74 1.72 5.08 -0.84 -3.38 114.58 115.07 1wgx h GLU 55 Ca 0.76 -0.37 -0.61 0.00 -1.00 0.00 0.00 59.36 58.13 1wgx h GLU 55 Cb 1.86 0.09 -0.42 0.00 0.50 0.00 0.00 28.75 30.79 1wgx h GLU 55 CO -0.59 1.03 -0.63 -1.71 -1.00 0.00 0.00 179.01 176.10 1wgx n ASN 56 N -4.29 2.80 -0.03 1.42 5.15 0.16 -4.68 115.26 115.79 1wgx n ASN 56 Ca -0.09 -3.18 -0.13 0.00 -0.60 0.00 0.00 54.58 50.58 1wgx n ASN 56 Cb 0.60 -0.71 -0.11 0.00 -0.53 0.00 0.00 39.78 39.03 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1wgx h PRO 57 N 5.03 -0.02 0.00 1.20 0.13 -0.42 -3.42 132.00 134.50 1wgx h PRO 57 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wgx h PRO 57 Cb 0.75 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1wgx h PRO 57 CO 0.71 0.68 0.00 2.89 -0.23 0.00 0.00 178.00 182.05 1wgx n ARG 58 N -4.75 0.00 0.00 0.86 1.85 -1.26 -5.05 116.66 108.30 1wgx n ARG 58 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1wgx n ARG 58 Cb 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.76 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wgx n GLY 59 N -1.48 2.83 0.29 2.89 0.00 -1.26 -5.04 105.19 103.43 1wgx n GLY 59 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1wgx n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgx h LYS 60 N 0.00 -0.71 0.00 1.61 6.56 -2.01 -3.46 116.57 118.56 1wgx h LYS 60 Ca 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1wgx h LYS 60 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1wgx h LYS 60 CO 0.00 -0.47 0.00 0.41 -2.06 0.00 0.00 179.45 177.33 1wgx n GLY 61 N -1.21 -1.28 3.36 3.86 0.00 -1.26 -4.83 105.19 103.84 1wgx n GLY 61 Ca -0.09 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.00 -0.56 0.02 1.61 0.15 -1.26 -5.12 113.70 104.53 1wgx s SER 62 Ca 0.00 1.08 0.04 0.00 0.70 0.00 0.00 55.95 57.77 1wgx s SER 62 Cb 0.00 1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 65.43 1wgx s SER 62 CO 0.00 -0.21 -0.06 0.00 1.20 0.00 0.00 173.24 174.16 1wgx s GLN 63 N 1.90 2.52 -0.05 5.44 -2.07 -1.26 -4.74 119.66 121.40 1wgx s GLN 63 Ca -0.07 -0.75 -0.02 0.00 -1.82 0.00 0.00 55.36 52.70 1wgx s GLN 63 Cb -0.09 -2.49 0.04 0.00 -1.09 0.00 0.00 33.01 29.37 1wgx s GLN 63 CO -0.14 0.59 0.11 0.15 -1.32 0.00 0.00 175.29 174.67 1wgx s LYS 64 N -1.54 0.02 -0.10 9.60 -0.14 -1.26 -5.05 119.74 121.27 1wgx s LYS 64 Ca 0.18 0.36 -0.10 0.00 -1.36 0.00 0.00 55.97 55.05 1wgx s LYS 64 Cb -0.11 -0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 35.74 1wgx s LYS 64 CO 0.09 -0.22 -0.20 0.72 -0.76 0.00 0.00 175.35 174.98 1wgx n HIS 65 N 4.57 0.00 -3.64 3.18 8.25 -1.26 -4.91 115.22 121.41 1wgx n HIS 65 Ca -0.20 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.00 1wgx n HIS 65 Cb 0.51 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1wgx n HIS 65 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wgx s VAL 66 N -2.17 5.18 -0.72 1.59 -7.23 -1.26 -4.59 120.40 111.20 1wgx s VAL 66 Ca -0.17 -0.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.54 1wgx s VAL 66 Cb 0.02 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.22 1wgx s VAL 66 CO 0.25 -0.24 0.63 0.41 -0.31 0.00 0.00 175.10 175.84 1wgx n THR 67 N -0.85 -4.35 -1.12 5.32 -1.04 -1.26 -4.85 114.28 106.13 1wgx n THR 67 Ca -0.05 0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 1wgx n THR 67 Cb 0.54 -3.58 0.11 0.00 -1.82 0.00 0.00 70.33 65.58 1wgx n THR 67 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wgx n SER 68 N -1.92 0.23 -2.50 8.00 7.64 -1.26 -5.01 113.62 118.81 1wgx n SER 68 Ca -0.23 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1wgx n SER 68 Cb 0.67 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 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 0.91 -3.27 3.67 0.23 0.00 -1.26 -4.84 105.19 100.64 1wgx n GLY 69 Ca 0.12 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 4.29 -0.09 1.61 0.04 -1.26 -5.02 135.00 134.57 1wgx s PRO 70 Ca 0.00 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1wgx s PRO 70 Cb 0.00 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 1wgx s PRO 70 CO 0.00 -0.57 -0.01 -1.54 0.04 0.00 0.00 177.00 174.91 1wgx s SER 71 N 1.74 5.10 0.19 6.66 1.04 -1.26 -4.97 113.70 122.20 1wgx s SER 71 Ca 0.56 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1wgx s SER 71 Cb -0.24 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1wgx s SER 71 CO 0.19 0.36 0.00 -1.20 0.98 0.00 0.00 173.24 173.57 1wgx n SER 72 N 2.28 0.08 0.00 7.02 7.64 -1.26 -5.27 113.62 124.10 1wgx n SER 72 Ca -0.18 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1wgx n SER 72 Cb 0.53 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1wgx n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64