#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 5.79 -0.09 1.61 0.01 -1.26 -4.97 113.70 114.79 1wgx s SER 2 Ca 0.00 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 56.71 1wgx s SER 2 Cb 0.00 -2.07 -0.15 0.00 0.21 0.00 0.00 66.02 64.02 1wgx s SER 2 CO 0.00 -0.17 0.62 0.77 0.41 0.00 0.00 173.24 174.87 1wgx h SER 3 N 8.40 -0.09 0.00 2.44 4.64 -2.13 -3.49 113.55 123.31 1wgx h SER 3 Ca -0.33 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1wgx h SER 3 Cb 1.16 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wgx h SER 3 CO 0.61 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 1wgx n GLY 4 N 1.17 4.24 2.05 -0.77 0.00 -1.26 -5.12 105.19 105.50 1wgx n GLY 4 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1wgx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 5 N 0.00 -8.86 -3.55 1.61 7.64 -1.26 -5.09 113.62 104.11 1wgx n SER 5 Ca 0.00 1.37 -0.10 0.00 1.01 0.00 0.00 58.87 61.15 1wgx n SER 5 Cb 0.00 -5.01 -0.02 0.00 -1.01 0.00 0.00 64.21 58.17 1wgx n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgx s SER 6 N -0.51 0.09 -0.48 6.43 1.04 -1.26 -5.09 113.70 113.92 1wgx s SER 6 Ca 0.00 -1.02 -0.43 0.00 0.48 0.00 0.00 55.95 54.98 1wgx s SER 6 Cb 0.00 0.70 -0.18 0.00 0.10 0.00 0.00 66.02 66.64 1wgx s SER 6 CO 0.00 -1.36 2.13 0.61 0.98 0.00 0.00 173.24 175.60 1wgx n GLY 7 N -0.47 -0.05 3.23 7.32 0.00 -1.26 -4.84 105.19 109.12 1wgx n GLY 7 Ca -0.03 1.09 -0.42 0.00 0.00 0.00 0.00 46.02 46.66 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 6.06 6.40 -0.39 1.61 2.15 -1.26 -4.94 116.67 126.30 1wgx s ASP 8 Ca 1.18 -3.19 0.01 0.00 0.43 0.00 0.00 52.55 50.98 1wgx s ASP 8 Cb -1.42 -2.07 0.14 0.00 -0.30 0.00 0.00 42.92 39.28 1wgx s ASP 8 CO 0.64 -0.37 0.22 -0.75 -0.17 0.00 0.00 175.17 174.74 1wgx s LYS 9 N -0.59 0.85 0.33 4.34 2.47 -1.26 -5.10 119.74 120.77 1wgx s LYS 9 Ca 0.23 -1.60 -0.07 0.00 -1.56 0.00 0.00 55.97 52.98 1wgx s LYS 9 Cb -0.12 -1.73 0.03 0.00 -1.46 0.00 0.00 37.83 34.56 1wgx s LYS 9 CO -0.08 -1.19 0.55 0.39 0.16 0.00 0.00 175.35 175.18 1wgx n GLU 10 N 3.85 0.79 -3.99 4.03 1.02 -1.26 -5.17 120.64 119.91 1wgx n GLU 10 Ca 0.10 -2.23 -0.25 0.00 -0.02 0.00 0.00 57.16 54.76 1wgx n GLU 10 Cb 0.36 2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 34.14 1wgx n GLU 10 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wgx s TRP 11 N -3.13 3.38 0.15 -0.32 0.52 -1.26 -5.11 118.94 113.17 1wgx s TRP 11 Ca 0.20 0.05 -0.03 0.00 0.02 0.00 0.00 56.10 56.35 1wgx s TRP 11 Cb -0.02 -1.60 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1wgx s TRP 11 CO 0.15 0.51 0.36 0.54 0.02 0.00 0.00 176.95 178.52 1wgx s ASN 12 N -3.35 6.44 0.60 2.95 2.20 -1.26 -4.88 114.94 117.64 1wgx s ASN 12 Ca 0.34 0.48 0.29 0.00 -0.94 0.00 0.00 52.86 53.03 1wgx s ASN 12 Cb -0.10 -2.05 1.19 0.00 -2.00 0.00 0.00 41.25 38.29 1wgx s ASN 12 CO 0.27 0.04 1.56 -0.08 -2.94 0.00 0.00 177.10 175.95 1wgx h GLU 13 N 2.58 0.00 -0.44 3.55 4.81 -1.99 1.47 114.58 124.56 1wgx h GLU 13 Ca -0.46 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 1wgx h GLU 13 Cb 1.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1wgx h GLU 13 CO 0.72 0.00 0.06 0.87 -0.73 0.00 0.00 179.01 179.92 1wgx h LYS 14 N 0.00 0.75 0.18 1.92 1.57 -1.99 -2.10 116.57 116.90 1wgx h LYS 14 Ca 0.39 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1wgx h LYS 14 Cb 2.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.45 1wgx h LYS 14 CO -0.00 0.78 -0.09 0.93 -0.57 0.00 0.00 179.45 180.50 1wgx h GLU 15 N 0.60 -0.24 -0.39 3.15 4.39 0.16 -2.86 114.58 119.40 1wgx h GLU 15 Ca 0.13 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1wgx h GLU 15 Cb 0.41 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1wgx h GLU 15 CO 0.01 0.10 -0.23 1.28 -1.16 0.00 0.00 179.01 179.02 1wgx n LEU 16 N -4.93 -0.41 -0.33 1.33 7.99 -0.47 0.19 117.00 120.36 1wgx n LEU 16 Ca -0.06 1.29 0.18 0.00 -0.01 0.00 0.00 56.01 57.41 1wgx n LEU 16 Cb 0.23 -0.39 0.39 0.00 -0.11 0.00 0.00 43.42 43.53 1wgx n LEU 16 CO 0.20 -0.86 1.13 0.06 -1.51 0.00 0.00 177.39 176.40 1wgx h GLN 17 N 0.00 0.47 -0.10 3.23 3.07 -1.51 0.76 115.11 121.03 1wgx h GLN 17 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 1wgx h GLN 17 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.61 1wgx h GLN 17 CO -0.36 0.31 0.02 0.87 0.09 0.00 0.00 178.83 179.75 1wgx h LYS 18 N 0.48 0.16 0.47 0.06 1.57 0.12 1.46 116.57 120.90 1wgx h LYS 18 Ca 0.65 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.37 1wgx h LYS 18 Cb 1.29 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1wgx h LYS 18 CO -0.52 0.37 -0.27 1.25 -0.57 0.00 0.00 179.45 179.71 1wgx h LEU 19 N -0.07 -0.67 0.42 2.94 5.85 0.58 0.35 115.31 124.72 1wgx h LEU 19 Ca 0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1wgx h LEU 19 Cb 0.29 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1wgx h LEU 19 CO 0.00 -0.44 -0.20 0.45 -0.34 0.00 0.00 178.44 177.91 1wgx h HIS 20 N -0.70 -0.53 0.00 1.25 3.86 0.36 0.51 115.15 119.90 1wgx h HIS 20 Ca -0.06 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1wgx h HIS 20 Cb 0.56 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1wgx h HIS 20 CO -0.08 -0.30 0.00 0.00 0.86 0.00 0.00 177.93 178.41 1wgx h ALA 22 N -1.41 0.18 -0.83 0.00 0.00 -0.31 1.79 119.26 118.68 1wgx h ALA 22 Ca 0.00 0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.34 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 -0.56 0.58 0.35 0.00 0.00 0.00 179.25 179.62 1wgx h PHE 23 N -0.09 0.22 0.00 0.00 3.04 0.10 1.42 116.94 121.64 1wgx h PHE 23 Ca 0.28 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 1wgx h PHE 23 Cb 0.54 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1wgx h PHE 23 CO -0.61 0.06 -0.48 0.00 -2.02 0.00 0.00 178.31 175.26 1wgx h ALA 24 N 1.61 0.07 -0.17 2.41 0.00 0.94 -3.38 119.26 120.74 1wgx h ALA 24 Ca 0.41 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1wgx h ALA 24 Cb 1.36 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1wgx h ALA 24 CO -0.07 0.33 -0.20 1.03 0.00 0.00 0.00 179.25 180.34 1wgx h SER 25 N -1.00 -0.63 -4.00 0.00 0.87 0.28 -3.41 113.55 105.66 1wgx h SER 25 Ca -0.09 0.11 -0.45 0.00 -1.23 0.00 0.00 61.79 60.13 1wgx h SER 25 Cb 0.68 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1wgx h SER 25 CO -0.05 -0.25 0.35 -0.76 -0.53 0.00 0.00 176.83 175.59 1wgx s LEU 26 N -10.45 4.07 0.45 2.23 1.43 0.48 -5.03 118.68 111.86 1wgx s LEU 26 Ca -0.15 1.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.51 1wgx s LEU 26 Cb 0.11 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.88 1wgx s LEU 26 CO 0.68 -0.31 1.04 -2.16 0.23 0.00 0.00 176.35 175.83 1wgx s PRO 27 N -2.80 3.95 0.00 1.29 0.04 -1.26 -4.65 135.00 131.56 1wgx s PRO 27 Ca 0.59 1.42 0.26 0.00 0.04 0.00 0.00 61.00 63.31 1wgx s PRO 27 Cb -0.13 -2.27 0.68 0.00 0.04 0.00 0.00 34.50 32.82 1wgx s PRO 27 CO 0.18 -0.32 1.52 1.63 0.04 0.00 0.00 177.00 180.05 1wgx n LYS 28 N -0.61 1.36 0.00 4.56 4.01 -1.26 -3.57 118.16 122.65 1wgx n LYS 28 Ca 0.08 -0.90 0.14 0.00 -0.51 0.00 0.00 58.31 57.11 1wgx n LYS 28 Cb 0.51 -1.48 0.42 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 -0.03 0.00 -1.81 2.13 1.44 -1.26 -4.92 115.22 110.77 1wgx n HIS 29 Ca 0.14 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.56 1wgx n HIS 29 Cb 0.40 -0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.58 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 -2.00 2.42 0.00 -1.40 1.02 -1.23 -5.05 119.74 113.50 1wgx s LYS 30 Ca 0.36 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1wgx s LYS 30 Cb 0.21 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1wgx s LYS 30 CO 0.33 -1.33 0.13 -0.35 -0.92 0.00 0.00 175.35 173.20 1wgx n PRO 31 N -3.19 0.00 -0.97 -1.68 -0.04 -1.26 -4.16 135.00 123.69 1wgx n PRO 31 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 1wgx n PRO 31 Cb 0.58 -0.63 -0.11 0.00 -0.04 0.00 0.00 33.50 33.31 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 1.75 3.17 0.33 0.55 0.00 -1.26 -4.56 105.19 105.16 1wgx n GLY 32 Ca 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.94 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 4.09 0.93 -0.13 1.61 3.57 -1.89 0.10 116.94 125.22 1wgx h PHE 33 Ca 0.38 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1wgx h PHE 33 Cb 0.94 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1wgx h PHE 33 CO 1.77 0.29 0.04 -1.49 -2.23 0.00 0.00 178.31 176.70 1wgx h TRP 34 N 0.78 0.20 -0.72 0.41 -0.00 -1.88 0.99 115.95 115.74 1wgx h TRP 34 Ca 0.48 -0.02 0.14 0.00 -0.00 0.00 0.00 58.89 59.49 1wgx h TRP 34 Cb 0.59 -0.06 -0.05 0.00 -0.00 0.00 0.00 29.16 29.65 1wgx h TRP 34 CO -0.05 0.32 0.48 0.66 -0.00 0.00 0.00 178.44 179.85 1wgx h SER 35 N 0.03 0.37 0.24 -3.49 4.64 -1.39 0.65 113.55 114.59 1wgx h SER 35 Ca 0.04 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1wgx h SER 35 Cb 0.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1wgx h SER 35 CO -0.00 0.19 -0.12 -0.33 -0.87 0.00 0.00 176.83 175.71 1wgx h GLU 36 N 0.39 -0.31 -0.26 4.77 5.08 -0.17 -2.74 114.58 121.34 1wgx h GLU 36 Ca 0.35 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.80 1wgx h GLU 36 Cb 0.81 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1wgx h GLU 36 CO -0.10 -0.21 0.38 -0.39 -1.00 0.00 0.00 179.01 177.69 1wgx h VAL 37 N -0.75 0.27 0.00 3.13 -1.51 -0.51 1.63 116.25 118.51 1wgx h VAL 37 Ca -0.03 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1wgx h VAL 37 Cb 0.25 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1wgx h VAL 37 CO 0.05 0.00 -0.19 0.00 -1.23 0.00 0.00 177.57 176.21 1wgx h ALA 38 N 1.49 0.94 0.53 5.19 0.00 0.33 -0.58 119.26 127.17 1wgx h ALA 38 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wgx h ALA 38 Cb 0.88 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1wgx h ALA 38 CO -0.00 0.23 -0.25 0.00 0.00 0.00 0.00 179.25 179.23 1wgx h ALA 39 N 1.81 -0.71 0.00 0.00 0.00 0.27 2.00 119.26 122.64 1wgx h ALA 39 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1wgx h ALA 39 Cb 0.89 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wgx h ALA 39 CO 0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 179.25 178.08 1wgx h ALA 40 N -0.39 0.87 -0.49 0.00 0.00 -1.56 -2.54 119.26 115.15 1wgx h ALA 40 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wgx h ALA 40 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wgx h ALA 40 CO 0.12 0.43 0.00 0.28 0.00 0.00 0.00 179.25 180.08 1wgx n VAL 41 N -3.32 0.65 -0.04 0.00 0.31 -0.23 -4.59 118.33 111.11 1wgx n VAL 41 Ca 0.01 -0.69 0.03 0.00 -0.01 0.00 0.00 64.34 63.68 1wgx n VAL 41 Cb 0.57 0.43 0.06 0.00 -0.91 0.00 0.00 33.84 34.00 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 1.36 -0.12 0.63 2.92 0.00 0.68 0.30 105.19 110.95 1wgx n GLY 42 Ca 0.18 0.11 0.42 0.00 0.00 0.00 0.00 46.02 46.73 1wgx n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 43 N -3.46 0.00 -2.93 1.61 7.64 -1.26 -4.42 113.62 110.79 1wgx n SER 43 Ca 0.04 0.88 -0.16 0.00 1.01 0.00 0.00 58.87 60.64 1wgx n SER 43 Cb 0.14 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 1wgx n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wgx n ARG 44 N -3.60 0.61 -3.32 1.43 5.12 0.86 -5.17 116.66 112.60 1wgx n ARG 44 Ca 0.35 -2.25 -0.22 0.00 -1.93 0.00 0.00 57.85 53.80 1wgx n ARG 44 Cb 1.79 1.35 -0.00 0.00 -1.16 0.00 0.00 32.46 34.43 1wgx n ARG 44 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wgx s SER 45 N -2.63 6.09 0.27 0.55 1.04 -1.26 -4.90 113.70 112.87 1wgx s SER 45 Ca 0.16 0.26 0.13 0.00 0.48 0.00 0.00 55.95 56.98 1wgx s SER 45 Cb 0.01 -1.73 0.29 0.00 0.10 0.00 0.00 66.02 64.69 1wgx s SER 45 CO 0.11 -0.43 1.55 1.55 0.98 0.00 0.00 173.24 177.01 1wgx h PRO 46 N 0.69 0.00 0.00 4.02 0.13 -1.90 -2.46 132.00 132.49 1wgx h PRO 46 Ca -0.48 0.00 -0.02 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 32.36 1wgx h PRO 46 CO 0.59 0.62 -0.10 0.93 -0.23 0.00 0.00 178.00 179.80 1wgx h GLU 47 N 0.00 0.00 0.06 0.86 5.08 -1.95 -2.97 114.58 115.66 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 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1wgx h GLU 47 CO 0.08 0.10 -1.66 0.93 -1.00 0.00 0.00 179.01 177.46 1wgx h GLU 48 N 0.00 0.13 -0.36 2.33 4.39 -1.92 -3.23 114.58 115.92 1wgx h GLU 48 Ca -0.00 -0.22 0.10 0.00 0.34 0.00 0.00 59.36 59.58 1wgx h GLU 48 Cb 0.71 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1wgx h GLU 48 CO 0.01 0.87 0.31 0.00 -1.16 0.00 0.00 179.01 179.04 1wgx h GLN 50 N 0.00 -0.08 -0.81 0.00 4.15 -1.63 -2.39 115.11 114.35 1wgx h GLN 50 Ca 0.17 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.74 1wgx h GLN 50 Cb 0.78 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.40 1wgx h GLN 50 CO -0.00 0.36 0.40 0.00 -1.93 0.00 0.00 178.83 177.65 1wgx h ARG 51 N -0.97 0.56 0.78 1.69 3.08 -1.33 0.42 114.38 118.61 1wgx h ARG 51 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1wgx h ARG 51 Cb 0.47 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1wgx h ARG 51 CO 0.01 0.37 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.69 1wgx h LYS 52 N 0.58 -1.01 -0.51 0.04 1.63 -0.69 -2.72 116.57 113.89 1wgx h LYS 52 Ca 0.44 0.07 0.10 0.00 -0.85 0.00 0.00 60.65 60.41 1wgx h LYS 52 Cb 0.62 0.23 -0.10 0.00 -0.60 0.00 0.00 32.23 32.38 1wgx h LYS 52 CO -0.36 -0.67 -0.20 -0.92 -3.45 0.00 0.00 179.45 173.84 1wgx h TYR 53 N -1.12 -0.49 -0.92 1.91 5.03 -0.87 0.83 116.97 121.34 1wgx h TYR 53 Ca -0.11 0.05 0.27 0.00 2.58 0.00 0.00 58.73 61.52 1wgx h TYR 53 Cb 0.80 0.30 -0.15 0.00 1.55 0.00 0.00 36.73 39.22 1wgx h TYR 53 CO 0.03 -0.29 0.25 0.52 -1.32 0.00 0.00 178.16 177.36 1wgx h MET 54 N -0.08 0.15 0.04 1.82 2.86 -0.13 1.11 114.93 120.71 1wgx h MET 54 Ca 0.24 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1wgx h MET 54 Cb 0.46 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1wgx h MET 54 CO -0.57 0.10 -0.02 0.93 1.06 0.00 0.00 176.91 178.41 1wgx h GLU 55 N 0.15 -0.05 -2.72 1.72 4.39 -0.57 -3.37 114.58 114.13 1wgx h GLU 55 Ca 0.61 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.70 1wgx h GLU 55 Cb 1.30 0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.55 1wgx h GLU 55 CO -0.72 0.38 -0.66 0.27 -1.16 0.00 0.00 179.01 177.12 1wgx n ASN 56 N -4.91 2.59 -0.03 1.42 6.94 0.46 -4.92 115.26 116.81 1wgx n ASN 56 Ca -0.08 -3.13 -0.13 0.00 -0.02 0.00 0.00 54.58 51.22 1wgx n ASN 56 Cb 0.24 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 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 5.06 -0.02 -1.43 -0.53 0.13 0.95 -3.41 132.00 132.74 1wgx h PRO 57 Ca 0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.11 1wgx h PRO 57 Cb 0.76 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.65 1wgx h PRO 57 CO 0.69 0.68 -0.55 0.50 -0.23 0.00 0.00 178.00 179.08 1wgx s ARG 58 N -3.18 0.72 0.00 0.86 3.52 -1.26 -5.04 118.95 114.57 1wgx s ARG 58 Ca -0.17 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 1wgx s ARG 58 Cb -0.01 -0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1wgx s ARG 58 CO 0.65 -1.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 1wgx n GLY 59 N 4.41 3.99 3.48 8.12 0.00 -1.26 -5.19 105.19 118.73 1wgx n GLY 59 Ca 0.11 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 3.09 0.98 0.00 1.61 2.47 -1.26 -5.14 119.74 121.48 1wgx s LYS 60 Ca 0.00 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.10 1wgx s LYS 60 Cb 0.00 0.45 0.00 0.00 -1.46 0.00 0.00 37.83 36.82 1wgx s LYS 60 CO 0.00 -0.42 0.00 0.41 0.16 0.00 0.00 175.35 175.50 1wgx n GLY 61 N -0.19 2.79 2.53 5.54 0.00 -1.26 -5.12 105.19 109.47 1wgx n GLY 61 Ca -0.12 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 3.22 -0.45 1.61 0.15 -1.26 -5.08 113.70 111.89 1wgx s SER 62 Ca 0.00 -2.06 -0.03 0.00 0.70 0.00 0.00 55.95 54.55 1wgx s SER 62 Cb 0.00 -0.50 0.12 0.00 -1.71 0.00 0.00 66.02 63.93 1wgx s SER 62 CO 0.00 -0.33 0.26 -1.58 1.20 0.00 0.00 173.24 172.78 1wgx s GLN 63 N 1.18 2.13 0.28 5.44 0.74 -1.26 -5.05 119.66 123.11 1wgx s GLN 63 Ca 0.16 -1.94 -0.10 0.00 0.05 0.00 0.00 55.36 53.52 1wgx s GLN 63 Cb -0.22 -3.63 -0.00 0.00 1.10 0.00 0.00 33.01 30.26 1wgx s GLN 63 CO -0.07 -1.10 0.49 0.15 -0.55 0.00 0.00 175.29 174.21 1wgx s LYS 64 N 0.95 1.66 -0.23 1.67 1.02 -1.26 -5.14 119.74 118.41 1wgx s LYS 64 Ca 0.10 -1.38 -0.15 0.00 0.02 0.00 0.00 55.97 54.55 1wgx s LYS 64 Cb -0.23 0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 1wgx s LYS 64 CO -0.04 -0.69 0.37 -1.01 -0.92 0.00 0.00 175.35 173.06 1wgx s HIS 65 N -3.70 3.32 0.21 3.18 3.76 -1.26 -5.03 115.29 115.77 1wgx s HIS 65 Ca 0.24 0.50 -0.32 0.00 -0.15 0.00 0.00 55.06 55.33 1wgx s HIS 65 Cb -0.01 -2.53 -0.14 0.00 1.11 0.00 0.00 32.58 31.02 1wgx s HIS 65 CO 0.12 -0.10 1.45 1.33 -0.85 0.00 0.00 174.74 176.69 1wgx n VAL 66 N 4.66 0.65 -5.12 -0.90 0.24 -1.26 -4.98 118.33 111.63 1wgx n VAL 66 Ca -0.09 -0.16 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1wgx n VAL 66 Cb 0.51 -1.45 -0.16 0.00 -1.47 0.00 0.00 33.84 31.26 1wgx n VAL 66 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1wgx s THR 67 N 0.23 1.83 0.34 3.34 -1.32 -1.26 -5.14 115.64 113.66 1wgx s THR 67 Ca 0.72 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 60.33 1wgx s THR 67 Cb -0.67 -1.56 -0.03 0.00 -1.51 0.00 0.00 72.50 68.73 1wgx s THR 67 CO 0.46 0.52 0.24 -0.55 -2.21 0.00 0.00 174.62 173.08 1wgx s SER 68 N -0.14 5.07 -0.32 8.08 0.15 -1.26 -5.11 113.70 120.18 1wgx s SER 68 Ca -0.03 -0.59 -0.08 0.00 0.70 0.00 0.00 55.95 55.95 1wgx s SER 68 Cb -0.13 -0.89 0.19 0.00 -1.71 0.00 0.00 66.02 63.48 1wgx s SER 68 CO 0.03 -0.33 1.01 -0.83 1.20 0.00 0.00 173.24 174.31 1wgx s GLY 69 N -3.94 -1.28 0.01 9.45 0.00 -1.26 -5.14 107.32 105.16 1wgx s GLY 69 Ca 0.40 1.52 -0.30 0.00 0.00 0.00 0.00 44.72 46.34 1wgx s GLY 69 CO 0.25 4.17 1.19 2.56 0.00 0.00 0.00 173.10 181.27 1wgx s PRO 70 N 2.37 4.41 0.43 2.90 0.04 -1.26 -5.00 135.00 138.89 1wgx s PRO 70 Ca 0.20 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 1wgx s PRO 70 Cb 0.00 -3.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.02 1wgx s PRO 70 CO -0.18 -0.32 1.18 0.45 0.04 0.00 0.00 177.00 178.17 1wgx s SER 71 N 1.24 6.31 0.41 6.66 0.15 -1.26 -5.03 113.70 122.18 1wgx s SER 71 Ca 0.57 2.34 -0.02 0.00 0.70 0.00 0.00 55.95 59.55 1wgx s SER 71 Cb -0.27 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.40 1wgx s SER 71 CO 0.26 -0.82 0.65 -0.44 1.20 0.00 0.00 173.24 174.09 1wgx s SER 72 N -1.24 6.23 0.00 5.45 0.01 -1.26 -5.36 113.70 117.53 1wgx s SER 72 Ca 0.61 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1wgx s SER 72 Cb -0.30 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1wgx s SER 72 CO 0.37 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.18