#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgl n SER 2 N 0.00 -6.40 -0.08 1.61 2.88 -1.26 -4.90 113.62 105.47 1wgl n SER 2 Ca 0.00 0.93 -0.15 0.00 -1.33 0.00 0.00 58.87 58.31 1wgl n SER 2 Cb 0.00 -3.68 -0.05 0.00 -0.75 0.00 0.00 64.21 59.73 1wgl n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgl n SER 3 N -3.86 1.42 0.00 -3.46 7.64 -1.26 -5.11 113.62 108.99 1wgl n SER 3 Ca -0.05 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1wgl n SER 3 Cb 0.52 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1wgl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgl n GLY 4 N 1.95 1.59 3.50 0.23 0.00 -1.26 -5.17 105.19 106.03 1wgl n GLY 4 Ca -0.27 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.09 1wgl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgl s SER 5 N 0.00 -0.22 0.44 1.61 1.04 -1.26 -5.15 113.70 110.16 1wgl s SER 5 Ca 0.00 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wgl s SER 5 Cb 0.00 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1wgl s SER 5 CO 0.00 -0.05 0.00 -0.24 0.98 0.00 0.00 173.24 173.93 1wgl n SER 6 N 3.80 -6.97 0.00 7.02 2.88 -1.26 -5.08 113.62 114.01 1wgl n SER 6 Ca -0.14 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1wgl n SER 6 Cb 0.56 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 1wgl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgl n GLY 7 N -3.99 -1.09 0.00 0.46 0.00 -1.26 -5.14 105.19 94.17 1wgl n GLY 7 Ca -0.05 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1wgl n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgl s SER 9 N -0.91 -0.24 0.29 0.00 0.15 -1.26 -5.03 113.70 106.70 1wgl s SER 9 Ca 0.00 0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.92 1wgl s SER 9 Cb 0.00 0.23 0.14 0.00 -1.71 0.00 0.00 66.02 64.69 1wgl s SER 9 CO 0.00 -0.33 1.48 -0.33 1.20 0.00 0.00 173.24 175.26 1wgl h GLU 10 N 2.17 0.00 0.49 5.44 5.08 -2.01 -2.97 114.58 122.78 1wgl h GLU 10 Ca -0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1wgl h GLU 10 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wgl h GLU 10 CO 0.27 0.51 -0.24 0.93 -1.00 0.00 0.00 179.01 179.48 1wgl h GLU 11 N 0.00 -0.63 -0.34 2.33 5.08 -2.00 -2.41 114.58 116.60 1wgl h GLU 11 Ca -0.01 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1wgl h GLU 11 Cb 1.33 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.67 1wgl h GLU 11 CO 0.07 -0.33 -0.00 0.38 -1.00 0.00 0.00 179.01 178.12 1wgl h ASP 12 N -1.01 -0.15 0.00 1.42 3.04 -1.97 -1.91 116.42 115.85 1wgl h ASP 12 Ca -0.07 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 1wgl h ASP 12 Cb 0.60 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.03 1wgl h ASP 12 CO 0.11 -0.04 0.00 -0.11 -2.04 0.00 0.00 179.24 177.16 1wgl n LEU 13 N -5.18 0.00 -0.33 0.15 0.00 -1.12 -0.55 117.00 109.97 1wgl n LEU 13 Ca 0.01 0.96 0.13 0.00 0.00 0.00 0.00 56.01 57.11 1wgl n LEU 13 Cb 0.18 -0.46 0.26 0.00 0.00 0.00 0.00 43.42 43.39 1wgl n LEU 13 CO 0.21 -0.46 0.74 0.29 0.00 0.00 0.00 177.39 178.17 1wgl n LYS 14 N -2.61 -0.08 -0.17 1.96 4.76 -0.91 0.99 118.16 122.11 1wgl n LYS 14 Ca 0.00 1.44 -0.10 0.00 -2.87 0.00 0.00 58.31 56.78 1wgl n LYS 14 Cb 0.00 -2.26 -0.05 0.00 -1.84 0.00 0.00 35.03 30.88 1wgl n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgl h ALA 15 N 1.91 -0.44 0.00 7.82 0.00 0.00 0.48 119.26 129.03 1wgl h ALA 15 Ca 0.56 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 1wgl h ALA 15 Cb 1.11 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1wgl h ALA 15 CO -0.91 -0.88 -0.00 0.82 0.00 0.00 0.00 179.25 178.28 1wgl h ILE 16 N -0.29 1.27 -0.95 0.00 2.04 0.18 -3.03 117.51 116.74 1wgl h ILE 16 Ca 0.15 -0.81 0.18 0.00 1.00 0.00 0.00 64.86 65.38 1wgl h ILE 16 Cb 0.57 1.82 -0.18 0.00 -0.74 0.00 0.00 36.82 38.30 1wgl h ILE 16 CO -0.64 0.21 -0.26 -0.61 0.00 0.00 0.00 178.15 176.85 1wgl h GLN 17 N -0.35 -0.01 -0.47 2.37 -0.00 0.14 1.12 115.11 117.91 1wgl h GLN 17 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1wgl h GLN 17 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.76 1wgl h GLN 17 CO 0.00 -0.00 0.11 0.22 0.00 0.00 0.00 178.83 179.16 1wgl h ASP 18 N -0.01 0.04 -0.41 -0.69 3.58 -0.01 0.24 116.42 119.17 1wgl h ASP 18 Ca 0.43 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.94 1wgl h ASP 18 Cb 0.67 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1wgl h ASP 18 CO -0.97 0.05 0.19 0.24 -2.88 0.00 0.00 179.24 175.87 1wgl h MET 19 N 0.25 0.64 -2.48 0.28 2.86 0.12 -3.31 114.93 113.29 1wgl h MET 19 Ca 0.23 -0.08 -0.59 0.00 -2.06 0.00 0.00 59.70 57.20 1wgl h MET 19 Cb 0.29 -0.12 -0.40 0.00 0.06 0.00 0.00 31.60 31.43 1wgl h MET 19 CO -0.29 0.52 -0.84 1.19 1.06 0.00 0.00 176.91 178.54 1wgl n PHE 20 N -4.37 0.89 0.02 -0.22 3.72 0.12 -4.93 117.46 112.68 1wgl n PHE 20 Ca 0.03 -3.73 -0.19 0.00 -0.05 0.00 0.00 57.45 53.51 1wgl n PHE 20 Cb 0.14 -0.19 -0.09 0.00 -0.94 0.00 0.00 39.48 38.40 1wgl n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1wgl h PRO 21 N 5.10 0.72 -0.91 -1.08 0.13 -0.72 -3.20 132.00 132.03 1wgl h PRO 21 Ca 0.19 -0.70 0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1wgl h PRO 21 Cb 0.83 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.06 1wgl h PRO 21 CO 0.54 1.29 0.53 -0.91 -0.23 0.00 0.00 178.00 179.22 1wgl h ASN 22 N 0.42 0.74 -2.95 1.44 2.35 -1.88 -3.42 115.58 112.27 1wgl h ASN 22 Ca -0.10 0.06 -0.44 0.00 -0.55 0.00 0.00 56.30 55.27 1wgl h ASN 22 Cb 1.57 -0.08 0.22 0.00 0.05 0.00 0.00 38.32 40.09 1wgl h ASN 22 CO 0.18 0.37 -0.28 0.23 -1.65 0.00 0.00 177.43 176.28 1wgl n MET 23 N -4.73 -2.38 -3.91 0.81 2.81 -1.21 -4.99 117.12 103.52 1wgl n MET 23 Ca 0.17 -0.67 -0.36 0.00 -1.81 0.00 0.00 57.70 55.03 1wgl n MET 23 Cb 0.37 -2.05 -0.07 0.00 -0.71 0.00 0.00 33.22 30.76 1wgl n MET 23 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wgl s ASP 24 N -2.26 6.11 0.15 7.83 2.15 -1.26 -5.00 116.67 124.38 1wgl s ASP 24 Ca 0.66 0.31 -0.23 0.00 0.43 0.00 0.00 52.55 53.72 1wgl s ASP 24 Cb -0.22 -2.00 0.02 0.00 -0.30 0.00 0.00 42.92 40.41 1wgl s ASP 24 CO 0.66 0.31 1.64 1.56 -0.17 0.00 0.00 175.17 179.16 1wgl h GLN 25 N 5.73 -0.24 -1.04 4.34 4.20 -1.92 0.43 115.11 126.60 1wgl h GLN 25 Ca -0.48 0.02 0.38 0.00 0.06 0.00 0.00 58.65 58.62 1wgl h GLN 25 Cb 1.19 0.06 -0.16 0.00 0.30 0.00 0.00 27.48 28.87 1wgl h GLN 25 CO 0.65 -0.16 0.59 0.93 -0.67 0.00 0.00 178.83 180.16 1wgl h GLU 26 N -0.25 0.15 0.39 1.46 5.08 -1.98 0.36 114.58 119.78 1wgl h GLU 26 Ca 0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1wgl h GLU 26 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wgl h GLU 26 CO -0.35 0.10 -0.19 0.28 -1.00 0.00 0.00 179.01 177.85 1wgl h VAL 27 N 0.16 0.31 -0.69 3.13 2.07 -1.37 -1.09 116.25 118.77 1wgl h VAL 27 Ca 0.79 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 67.75 1wgl h VAL 27 Cb 2.02 0.48 -0.12 0.00 -1.52 0.00 0.00 31.29 32.16 1wgl h VAL 27 CO -0.65 0.07 -0.40 0.40 0.02 0.00 0.00 177.57 177.01 1wgl h ILE 28 N -1.04 0.09 -0.53 4.57 2.04 0.55 1.10 117.51 124.30 1wgl h ILE 28 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1wgl h ILE 28 Cb 0.51 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1wgl h ILE 28 CO 0.09 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.62 1wgl h ARG 29 N -0.15 0.55 0.00 2.37 3.08 -0.53 0.25 114.38 119.95 1wgl h ARG 29 Ca 0.23 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1wgl h ARG 29 Cb 0.56 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1wgl h ARG 29 CO -0.76 0.36 -0.07 0.77 -1.07 0.00 0.00 179.97 179.21 1wgl h SER 30 N 0.57 0.00 0.00 7.04 0.02 0.25 -1.72 113.55 119.71 1wgl h SER 30 Ca 0.22 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 1wgl h SER 30 Cb 0.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1wgl h SER 30 CO -0.06 0.07 -0.74 0.58 -1.14 0.00 0.00 176.83 175.54 1wgl h VAL 31 N 0.00 1.29 0.01 2.27 2.07 0.21 -2.89 116.25 119.21 1wgl h VAL 31 Ca -0.00 -2.26 0.02 0.00 0.82 0.00 0.00 66.70 65.29 1wgl h VAL 31 Cb 0.37 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.81 1wgl h VAL 31 CO 0.01 0.45 -0.51 0.25 0.02 0.00 0.00 177.57 177.79 1wgl h LEU 32 N -0.98 -1.55 -1.79 2.57 5.85 -0.91 1.56 115.31 120.06 1wgl h LEU 32 Ca -0.20 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1wgl h LEU 32 Cb 1.19 0.59 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1wgl h LEU 32 CO -0.12 -0.51 0.25 -0.33 -0.34 0.00 0.00 178.44 177.39 1wgl h GLU 33 N -0.66 0.26 0.00 1.25 4.39 -1.50 0.72 114.58 119.04 1wgl h GLU 33 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wgl h GLU 33 Cb 0.71 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1wgl h GLU 33 CO -0.34 0.17 -0.01 0.00 -1.16 0.00 0.00 179.01 177.67 1wgl n ALA 34 N -2.53 2.33 -1.95 3.43 0.00 0.34 -3.32 120.51 118.82 1wgl n ALA 34 Ca 0.04 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1wgl n ALA 34 Cb 0.24 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.26 1wgl n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wgl n GLN 35 N -1.78 3.38 -2.85 0.00 1.13 0.51 -4.91 117.38 112.86 1wgl n GLN 35 Ca 0.06 -4.02 -0.08 0.00 -1.94 0.00 0.00 57.00 51.02 1wgl n GLN 35 Cb 0.37 -2.28 -0.02 0.00 0.11 0.00 0.00 30.24 28.43 1wgl n GLN 35 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wgl n ARG 36 N -0.71 -2.52 -2.69 -1.09 5.12 -1.04 0.19 116.66 113.92 1wgl n ARG 36 Ca 0.47 0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 56.34 1wgl n ARG 36 Cb 0.83 -4.44 0.04 0.00 -1.16 0.00 0.00 32.46 27.73 1wgl n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wgl n GLY 37 N -0.60 0.15 3.67 -0.13 0.00 0.19 -4.94 105.19 103.53 1wgl n GLY 37 Ca 0.02 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1wgl n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wgl s ASN 38 N -3.48 5.14 -0.19 1.61 3.84 0.51 -4.85 114.94 117.53 1wgl s ASN 38 Ca 0.05 0.09 -0.19 0.00 0.21 0.00 0.00 52.86 53.03 1wgl s ASN 38 Cb -0.02 -1.41 -0.15 0.00 -0.55 0.00 0.00 41.25 39.12 1wgl s ASN 38 CO 0.31 0.36 0.15 0.50 -2.79 0.00 0.00 177.10 175.63 1wgl h LYS 39 N 5.00 0.00 0.67 0.43 3.64 -1.95 -2.97 116.57 121.39 1wgl h LYS 39 Ca -0.50 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1wgl h LYS 39 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1wgl h LYS 39 CO 0.55 0.75 -0.51 -0.44 -2.27 0.00 0.00 179.45 177.53 1wgl h ASP 40 N -1.00 -1.33 -0.96 4.20 5.19 -1.98 0.97 116.42 121.51 1wgl h ASP 40 Ca -0.24 0.09 0.13 0.00 -0.62 0.00 0.00 57.03 56.39 1wgl h ASP 40 Cb 1.08 0.41 -0.09 0.00 0.18 0.00 0.00 39.33 40.91 1wgl h ASP 40 CO -0.15 -0.73 0.58 0.00 -3.12 0.00 0.00 179.24 175.82 1wgl h ALA 41 N -1.05 1.46 0.04 3.45 0.00 -1.94 0.18 119.26 121.40 1wgl h ALA 41 Ca -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wgl h ALA 41 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wgl h ALA 41 CO 0.03 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1wgl h ALA 42 N 1.55 -0.06 0.38 0.00 0.00 -1.21 0.25 119.26 120.18 1wgl h ALA 42 Ca 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1wgl h ALA 42 Cb 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wgl h ALA 42 CO -0.30 -0.49 -0.38 0.82 0.00 0.00 0.00 179.25 178.90 1wgl h ILE 43 N -0.14 0.00 -0.98 0.00 2.04 0.25 0.37 117.51 119.05 1wgl h ILE 43 Ca -0.01 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.14 1wgl h ILE 43 Cb 0.13 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.06 1wgl h ILE 43 CO 0.01 0.00 0.51 -1.13 0.00 0.00 0.00 178.15 177.54 1wgl h ASN 44 N -0.76 0.46 0.32 1.72 -1.24 -0.68 0.97 115.58 116.37 1wgl h ASN 44 Ca -0.05 0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1wgl h ASN 44 Cb 0.66 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1wgl h ASN 44 CO -0.05 -0.09 -0.16 -1.28 -1.29 0.00 0.00 177.43 174.57 1wgl h SER 45 N 0.36 -0.37 0.10 1.15 0.87 0.14 -1.91 113.55 113.88 1wgl h SER 45 Ca 0.68 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 1wgl h SER 45 Cb 1.47 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 1wgl h SER 45 CO -0.59 -0.16 -0.10 -0.07 -0.53 0.00 0.00 176.83 175.38 1wgl h LEU 46 N -0.56 -0.26 -0.58 2.23 3.38 0.33 0.20 115.31 120.05 1wgl h LEU 46 Ca -0.04 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1wgl h LEU 46 Cb 0.41 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1wgl h LEU 46 CO 0.07 -0.15 -0.42 -0.07 0.09 0.00 0.00 178.44 177.96 1wgl h LEU 47 N -0.22 -1.50 0.65 1.67 3.38 0.83 -1.77 115.31 118.36 1wgl h LEU 47 Ca 0.01 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1wgl h LEU 47 Cb 0.21 0.65 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1wgl h LEU 47 CO -0.03 -0.21 -0.49 1.56 0.09 0.00 0.00 178.44 179.36 1wgl h GLN 48 N -0.10 -1.06 -6.08 1.13 1.08 -1.16 -3.44 115.11 105.48 1wgl h GLN 48 Ca 0.09 0.07 -0.62 0.00 -1.45 0.00 0.00 58.65 56.75 1wgl h GLN 48 Cb 0.34 0.24 0.16 0.00 -0.05 0.00 0.00 27.48 28.17 1wgl h GLN 48 CO -0.60 -0.71 -0.83 -1.33 -0.95 0.00 0.00 178.83 174.42 1wgl n MET 49 N -5.59 0.12 -1.67 1.46 2.81 0.69 -4.67 117.12 110.27 1wgl n MET 49 Ca -0.13 0.05 -0.56 0.00 -1.81 0.00 0.00 57.70 55.24 1wgl n MET 49 Cb 0.48 -1.12 -0.07 0.00 -0.71 0.00 0.00 33.22 31.80 1wgl n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wgl n GLY 50 N 2.22 0.71 3.62 3.03 0.00 -1.26 -4.88 105.19 108.62 1wgl n GLY 50 Ca 0.11 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 1wgl n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgl s GLU 51 N 2.55 0.74 -0.36 1.61 -1.05 -1.26 -5.05 118.70 115.88 1wgl s GLU 51 Ca 0.94 0.72 -0.15 0.00 -0.15 0.00 0.00 54.97 56.34 1wgl s GLU 51 Cb -1.05 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.00 1wgl s GLU 51 CO 0.60 -0.12 0.33 -2.00 0.95 0.00 0.00 175.26 175.02 1wgl s GLU 52 N 0.04 3.42 0.49 -4.83 -6.30 -1.26 -5.06 118.70 105.20 1wgl s GLU 52 Ca -0.00 -0.58 -0.20 0.00 -2.50 0.00 0.00 54.97 51.68 1wgl s GLU 52 Cb -0.04 -3.84 -0.08 0.00 0.00 0.00 0.00 34.13 30.16 1wgl s GLU 52 CO -0.00 -0.57 1.04 -1.25 0.02 0.00 0.00 175.26 174.50 1wgl s PRO 53 N 1.92 3.78 0.45 4.30 0.04 -1.26 -4.82 135.00 139.41 1wgl s PRO 53 Ca 0.10 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.54 1wgl s PRO 53 Cb -0.17 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1wgl s PRO 53 CO 0.11 -0.44 0.62 -1.54 0.04 0.00 0.00 177.00 175.79 1wgl s SER 54 N -2.03 5.58 -0.36 6.66 1.04 -1.26 -5.09 113.70 118.24 1wgl s SER 54 Ca 0.67 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.86 1wgl s SER 54 Cb -0.16 -0.78 0.10 0.00 0.10 0.00 0.00 66.02 65.28 1wgl s SER 54 CO 0.21 -0.84 0.08 -0.83 0.98 0.00 0.00 173.24 172.84 1wgl s GLY 55 N -4.36 1.83 0.39 7.32 0.00 -1.26 -5.10 107.32 106.14 1wgl s GLY 55 Ca 0.55 -2.47 -0.25 0.00 0.00 0.00 0.00 44.72 42.56 1wgl s GLY 55 CO 0.35 1.08 1.06 2.56 0.00 0.00 0.00 173.10 178.14 1wgl s PRO 56 N 0.89 4.21 0.13 2.90 0.04 -1.26 -5.06 135.00 136.84 1wgl s PRO 56 Ca 0.12 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1wgl s PRO 56 Cb -0.20 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1wgl s PRO 56 CO -0.10 -0.11 -0.09 0.45 0.04 0.00 0.00 177.00 177.19 1wgl s SER 57 N -1.48 4.39 -0.12 6.66 0.15 -1.26 -5.13 113.70 116.92 1wgl s SER 57 Ca 0.56 -0.43 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 1wgl s SER 57 Cb -0.23 -0.83 0.03 0.00 -1.71 0.00 0.00 66.02 63.28 1wgl s SER 57 CO 0.29 0.16 0.33 -0.55 1.20 0.00 0.00 173.24 174.67 1wgl s SER 58 N -2.39 -0.34 0.00 5.45 0.15 -1.26 -5.35 113.70 109.96 1wgl s SER 58 Ca 0.22 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1wgl s SER 58 Cb -0.10 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wgl s SER 58 CO 0.14 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.05