#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgl s SER 2 N 0.00 -1.05 0.12 1.61 0.01 -1.26 -5.00 113.70 108.13 1wgl s SER 2 Ca 0.00 -1.87 0.00 0.00 1.31 0.00 0.00 55.95 55.39 1wgl s SER 2 Cb 0.00 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.81 1wgl s SER 2 CO 0.00 -0.07 0.00 -0.24 0.41 0.00 0.00 173.24 173.34 1wgl n SER 3 N 3.01 0.68 -4.85 2.44 2.88 -1.26 -5.09 113.62 111.43 1wgl n SER 3 Ca 0.19 0.18 -0.29 0.00 -1.33 0.00 0.00 58.87 57.62 1wgl n SER 3 Cb 0.55 -0.14 0.09 0.00 -0.75 0.00 0.00 64.21 63.96 1wgl n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgl s GLY 4 N -4.36 1.60 -0.00 0.46 0.00 -1.26 -5.04 107.32 98.71 1wgl s GLY 4 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1wgl s GLY 4 CO 0.00 -0.02 -0.12 -1.14 0.00 0.00 0.00 173.10 171.83 1wgl n SER 5 N -3.41 1.30 -1.04 1.64 3.41 -1.26 -5.14 113.62 109.12 1wgl n SER 5 Ca 0.07 0.19 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 1wgl n SER 5 Cb 0.59 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1wgl n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgl n SER 6 N -3.73 -5.73 0.00 4.04 2.88 -1.26 -5.01 113.62 104.81 1wgl n SER 6 Ca -0.05 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1wgl n SER 6 Cb 0.17 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 60.07 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 -3.71 0.53 3.19 0.46 0.00 -1.26 -5.03 105.19 99.37 1wgl n GLY 7 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.66 -0.26 0.01 0.00 0.15 -1.26 -5.05 113.70 105.63 1wgl s SER 9 Ca 0.50 -0.60 0.16 0.00 0.70 0.00 0.00 55.95 56.71 1wgl s SER 9 Cb -0.06 0.67 -0.18 0.00 -1.71 0.00 0.00 66.02 64.74 1wgl s SER 9 CO 0.63 -1.24 0.70 -0.62 1.20 0.00 0.00 173.24 173.91 1wgl n GLU 10 N -0.42 0.63 0.22 5.44 1.02 -1.26 -3.47 120.64 122.80 1wgl n GLU 10 Ca -0.06 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 1wgl n GLU 10 Cb 0.60 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1wgl n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wgl h GLU 11 N 0.00 -0.59 0.16 3.49 5.08 -1.98 -1.57 114.58 119.16 1wgl h GLU 11 Ca -0.22 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1wgl h GLU 11 Cb 1.73 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 1wgl h GLU 11 CO 0.05 -0.32 -0.41 0.38 -1.00 0.00 0.00 179.01 177.71 1wgl h ASP 12 N -1.08 -1.21 0.00 1.42 2.03 -1.99 0.21 116.42 115.80 1wgl h ASP 12 Ca -0.06 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1wgl h ASP 12 Cb 0.55 0.45 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1wgl h ASP 12 CO 0.10 -0.49 0.00 -0.11 -1.03 0.00 0.00 179.24 177.71 1wgl n LEU 13 N -5.47 0.00 -0.38 0.15 0.00 -1.23 -1.06 117.00 109.01 1wgl n LEU 13 Ca -0.08 0.96 -0.02 0.00 0.00 0.00 0.00 56.01 56.88 1wgl n LEU 13 Cb 0.38 -0.46 0.02 0.00 0.00 0.00 0.00 43.42 43.36 1wgl n LEU 13 CO 0.20 -0.46 0.56 0.29 0.00 0.00 0.00 177.39 177.98 1wgl n LYS 14 N -2.56 -0.25 -0.36 1.96 5.02 -0.59 0.70 118.16 122.08 1wgl n LYS 14 Ca 0.00 1.50 -0.04 0.00 -2.02 0.00 0.00 58.31 57.75 1wgl n LYS 14 Cb 0.00 -2.23 -0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1wgl n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgl h ALA 15 N 1.25 -0.06 0.10 7.82 0.00 0.59 0.42 119.26 129.36 1wgl h ALA 15 Ca 0.32 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.45 1wgl h ALA 15 Cb 0.56 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1wgl h ALA 15 CO -0.97 -0.73 -0.13 0.82 0.00 0.00 0.00 179.25 178.24 1wgl h ILE 16 N -0.04 0.69 -0.92 0.00 2.04 0.20 -2.45 117.51 117.02 1wgl h ILE 16 Ca 0.28 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.30 1wgl h ILE 16 Cb 0.55 0.69 -0.16 0.00 -0.74 0.00 0.00 36.82 37.16 1wgl h ILE 16 CO -0.92 0.00 -0.31 1.56 0.00 0.00 0.00 178.15 178.48 1wgl h GLN 17 N -0.28 -0.02 -0.63 2.37 1.08 0.22 1.24 115.11 119.10 1wgl h GLN 17 Ca 0.02 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.33 1wgl h GLN 17 Cb 0.28 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 1wgl h GLN 17 CO -0.06 -0.01 0.18 0.22 -0.95 0.00 0.00 178.83 178.21 1wgl h ASP 18 N -0.02 0.11 -0.32 1.46 3.58 -0.40 0.48 116.42 121.31 1wgl h ASP 18 Ca 0.38 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.83 1wgl h ASP 18 Cb 0.63 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 1wgl h ASP 18 CO -0.94 0.06 -0.17 0.24 -2.88 0.00 0.00 179.24 175.54 1wgl h MET 19 N 0.33 0.79 -2.54 0.28 2.86 0.14 -3.35 114.93 113.44 1wgl h MET 19 Ca 0.33 -0.29 -0.60 0.00 -2.06 0.00 0.00 59.70 57.08 1wgl h MET 19 Cb 0.47 -0.05 -0.40 0.00 0.06 0.00 0.00 31.60 31.68 1wgl h MET 19 CO -0.38 0.90 -0.79 1.19 1.06 0.00 0.00 176.91 178.90 1wgl n PHE 20 N -4.13 1.40 -0.03 -0.22 3.72 0.28 -4.94 117.46 113.54 1wgl n PHE 20 Ca 0.01 -3.84 -0.13 0.00 -0.05 0.00 0.00 57.45 53.43 1wgl n PHE 20 Cb 0.41 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.56 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 5.07 -0.02 -0.84 -1.08 0.13 -0.29 -3.28 132.00 131.68 1wgl h PRO 21 Ca 0.19 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.52 1wgl h PRO 21 Cb 0.81 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.80 1wgl h PRO 21 CO 0.58 0.68 0.02 -0.97 -0.23 0.00 0.00 178.00 178.08 1wgl h ASN 22 N -0.78 -0.37 -1.72 1.44 -1.24 -1.92 -3.41 115.58 107.58 1wgl h ASN 22 Ca -0.00 0.22 -0.16 0.00 0.71 0.00 0.00 56.30 57.07 1wgl h ASN 22 Cb 0.72 0.39 0.09 0.00 0.73 0.00 0.00 38.32 40.24 1wgl h ASN 22 CO 0.00 -0.23 -0.08 0.23 -1.29 0.00 0.00 177.43 176.07 1wgl n MET 23 N -5.38 -1.40 -4.10 6.67 2.81 -1.24 -4.96 117.12 109.51 1wgl n MET 23 Ca 0.17 -0.62 -0.35 0.00 -1.81 0.00 0.00 57.70 55.09 1wgl n MET 23 Cb 0.56 -1.18 -0.09 0.00 -0.71 0.00 0.00 33.22 31.80 1wgl n MET 23 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wgl s ASP 24 N -2.01 5.55 0.06 7.83 1.11 -1.26 -5.02 116.67 122.93 1wgl s ASP 24 Ca 0.29 0.12 -0.27 0.00 0.18 0.00 0.00 52.55 52.86 1wgl s ASP 24 Cb -0.05 -1.86 -0.14 0.00 1.07 0.00 0.00 42.92 41.94 1wgl s ASP 24 CO 0.24 0.24 1.42 -0.61 1.18 0.00 0.00 175.17 177.64 1wgl h GLN 25 N 6.21 -0.82 -1.56 8.23 4.15 -1.91 0.20 115.11 129.62 1wgl h GLN 25 Ca -0.41 0.06 0.50 0.00 0.77 0.00 0.00 58.65 59.56 1wgl h GLN 25 Cb 1.18 0.19 -0.12 0.00 0.21 0.00 0.00 27.48 28.94 1wgl h GLN 25 CO 0.65 -0.55 1.05 1.05 -1.93 0.00 0.00 178.83 179.11 1wgl h GLU 26 N -0.85 0.02 0.09 1.69 4.11 -1.98 0.85 114.58 118.51 1wgl h GLU 26 Ca -0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 1wgl h GLU 26 Cb 0.70 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1wgl h GLU 26 CO 0.03 0.01 -0.04 0.28 0.07 0.00 0.00 179.01 179.36 1wgl h VAL 27 N 0.02 0.95 -0.99 -1.06 2.07 -1.72 0.52 116.25 116.04 1wgl h VAL 27 Ca 0.88 -1.40 0.27 0.00 0.82 0.00 0.00 66.70 67.27 1wgl h VAL 27 Cb 3.07 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 34.47 1wgl h VAL 27 CO -0.30 0.28 0.69 0.40 0.02 0.00 0.00 177.57 178.66 1wgl h ILE 28 N -0.91 0.53 0.02 4.57 2.04 0.36 0.86 117.51 124.98 1wgl h ILE 28 Ca -0.01 -0.04 -0.25 0.00 1.00 0.00 0.00 64.86 65.55 1wgl h ILE 28 Cb 0.55 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1wgl h ILE 28 CO 0.02 0.02 -1.34 -0.09 0.00 0.00 0.00 178.15 176.77 1wgl h ARG 29 N 0.12 0.04 0.00 2.37 2.43 -0.36 -2.73 114.38 116.25 1wgl h ARG 29 Ca 0.49 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1wgl h ARG 29 Cb 1.73 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1wgl h ARG 29 CO -0.08 0.83 0.00 0.43 -1.51 0.00 0.00 179.97 179.64 1wgl n SER 30 N -3.26 0.48 -0.11 -3.80 7.64 0.27 -1.47 113.62 113.38 1wgl n SER 30 Ca -0.09 0.60 -0.21 0.00 1.01 0.00 0.00 58.87 60.18 1wgl n SER 30 Cb 1.00 -0.71 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 1wgl n SER 30 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wgl n VAL 31 N -2.01 1.51 -0.34 0.44 0.31 0.26 -2.98 118.33 115.52 1wgl n VAL 31 Ca 0.03 -0.11 0.07 0.00 -0.01 0.00 0.00 64.34 64.32 1wgl n VAL 31 Cb 0.24 -2.06 0.25 0.00 -0.91 0.00 0.00 33.84 31.37 1wgl n VAL 31 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wgl h LEU 32 N -1.00 0.91 -0.36 7.52 5.85 -1.45 0.96 115.31 127.73 1wgl h LEU 32 Ca -0.40 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.17 1wgl h LEU 32 Cb 1.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1wgl h LEU 32 CO -0.24 0.50 -0.62 -0.33 -0.34 0.00 0.00 178.44 177.41 1wgl h GLU 33 N 0.98 0.68 0.00 1.25 4.39 -1.45 0.87 114.58 121.31 1wgl h GLU 33 Ca 0.47 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wgl h GLU 33 Cb 0.45 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1wgl h GLU 33 CO -0.23 1.09 0.00 0.00 -1.16 0.00 0.00 179.01 178.71 1wgl n ALA 34 N -2.55 2.23 -1.77 3.43 0.00 -0.08 -3.15 120.51 118.62 1wgl n ALA 34 Ca -0.05 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1wgl n ALA 34 Cb 0.65 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.44 3.12 -2.41 0.00 1.13 0.31 -4.88 117.38 113.21 1wgl n GLN 35 Ca 0.08 -3.77 -0.02 0.00 -1.94 0.00 0.00 57.00 51.34 1wgl n GLN 35 Cb 0.28 -2.28 -0.00 0.00 0.11 0.00 0.00 30.24 28.35 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 -0.75 -2.75 -3.08 -1.09 1.74 -1.19 0.18 116.66 109.72 1wgl n ARG 36 Ca 0.52 0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 57.59 1wgl n ARG 36 Cb 0.73 -4.61 0.06 0.00 -1.02 0.00 0.00 32.46 27.61 1wgl n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wgl n GLY 37 N -0.53 -0.05 3.09 -0.13 0.00 0.30 -4.96 105.19 102.91 1wgl n GLY 37 Ca -0.03 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.53 5.19 0.17 1.61 2.47 0.48 -4.94 114.94 116.39 1wgl s ASN 38 Ca 0.20 -2.89 -0.28 0.00 0.42 0.00 0.00 52.86 50.31 1wgl s ASN 38 Cb -0.09 -1.84 -0.01 0.00 -1.45 0.00 0.00 41.25 37.86 1wgl s ASN 38 CO 0.47 -0.35 1.55 0.50 -3.72 0.00 0.00 177.10 175.55 1wgl h LYS 39 N 6.96 -0.13 -0.46 0.43 3.64 -1.88 0.73 116.57 125.86 1wgl h LYS 39 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1wgl h LYS 39 Cb 0.95 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 1wgl h LYS 39 CO 0.71 -0.09 -0.43 0.22 -2.27 0.00 0.00 179.45 177.59 1wgl h ASP 40 N -0.14 -1.50 -0.73 4.20 1.82 -1.97 1.58 116.42 119.68 1wgl h ASP 40 Ca 0.17 0.21 0.15 0.00 -0.39 0.00 0.00 57.03 57.17 1wgl h ASP 40 Cb 0.51 0.63 -0.10 0.00 0.68 0.00 0.00 39.33 41.06 1wgl h ASP 40 CO -0.82 -0.26 0.24 0.00 -1.61 0.00 0.00 179.24 176.79 1wgl h ALA 41 N -0.18 0.99 0.78 -0.78 0.00 -1.34 -0.23 119.26 118.50 1wgl h ALA 41 Ca 0.08 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1wgl h ALA 41 Cb 0.41 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wgl h ALA 41 CO -0.54 -0.28 -0.43 0.00 0.00 0.00 0.00 179.25 177.99 1wgl h ALA 42 N 1.57 -1.27 -0.98 0.00 0.00 0.45 0.20 119.26 119.22 1wgl h ALA 42 Ca 0.41 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.27 1wgl h ALA 42 Cb 0.66 0.52 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1wgl h ALA 42 CO -0.45 -1.21 -0.27 0.82 0.00 0.00 0.00 179.25 178.14 1wgl h ILE 43 N -1.12 0.02 -0.51 0.00 2.04 0.29 1.75 117.51 119.98 1wgl h ILE 43 Ca -0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1wgl h ILE 43 Cb 0.88 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1wgl h ILE 43 CO 0.13 0.00 0.34 -1.13 0.00 0.00 0.00 178.15 177.49 1wgl h ASN 44 N -0.00 0.58 -0.06 1.72 -0.73 -0.73 0.45 115.58 116.81 1wgl h ASN 44 Ca 0.45 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.61 1wgl h ASN 44 Cb 0.70 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.14 1wgl h ASN 44 CO -1.01 0.42 0.03 -1.28 -0.37 0.00 0.00 177.43 175.22 1wgl h SER 45 N 0.69 0.07 0.22 1.15 0.87 0.52 -2.03 113.55 115.03 1wgl h SER 45 Ca 0.19 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1wgl h SER 45 Cb -0.07 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1wgl h SER 45 CO -0.05 0.12 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.13 1wgl h LEU 46 N 0.01 -0.45 -0.81 2.23 3.38 0.21 0.50 115.31 120.38 1wgl h LEU 46 Ca 0.02 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.15 1wgl h LEU 46 Cb 0.07 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 40.83 1wgl h LEU 46 CO -0.00 -0.27 -0.40 -0.07 0.09 0.00 0.00 178.44 177.79 1wgl h LEU 47 N -0.40 -1.43 0.62 1.67 3.38 0.04 -1.14 115.31 118.05 1wgl h LEU 47 Ca -0.01 0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1wgl h LEU 47 Cb 0.36 0.71 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1wgl h LEU 47 CO -0.01 -0.30 -0.30 -0.61 0.09 0.00 0.00 178.44 177.31 1wgl h GLN 48 N -0.08 -0.80 -6.24 1.13 -0.00 -0.99 -3.44 115.11 104.69 1wgl h GLN 48 Ca 0.27 0.05 -0.64 0.00 -0.00 0.00 0.00 58.65 58.33 1wgl h GLN 48 Cb 0.56 0.18 0.11 0.00 0.00 0.00 0.00 27.48 28.33 1wgl h GLN 48 CO -0.85 -0.48 -0.15 -1.33 0.00 0.00 0.00 178.83 176.02 1wgl n MET 49 N -5.38 0.70 -3.65 1.69 2.81 0.17 -4.87 117.12 108.60 1wgl n MET 49 Ca -0.12 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1wgl n MET 49 Cb 0.36 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.63 -0.84 2.84 3.03 0.00 -1.26 -4.85 105.19 105.74 1wgl n GLY 50 Ca 0.14 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1wgl n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgl n GLU 51 N 0.00 3.25 0.00 1.61 -0.58 -1.26 -4.92 120.64 118.73 1wgl n GLU 51 Ca 0.00 -4.58 0.00 0.00 -0.42 0.00 0.00 57.16 52.16 1wgl n GLU 51 Cb 0.00 -2.40 0.00 0.00 -0.57 0.00 0.00 31.44 28.47 1wgl n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wgl n GLU 52 N 1.47 0.00 -1.21 3.49 2.13 -1.26 -5.05 120.64 120.20 1wgl n GLU 52 Ca 0.26 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.72 1wgl n GLU 52 Cb 0.37 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.05 1wgl n GLU 52 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1wgl n PRO 53 N 0.00 2.45 -4.26 5.31 -0.04 -1.26 -4.84 135.00 132.36 1wgl n PRO 53 Ca 0.00 -2.00 -0.16 0.00 -0.04 0.00 0.00 63.50 61.30 1wgl n PRO 53 Cb 0.00 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 30.50 1wgl n PRO 53 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgl s SER 54 N 3.54 1.99 -0.30 3.54 0.15 -1.26 -5.13 113.70 116.22 1wgl s SER 54 Ca 0.53 -0.92 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1wgl s SER 54 Cb 0.14 -0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.50 1wgl s SER 54 CO -0.01 -0.22 0.13 -0.83 1.20 0.00 0.00 173.24 173.51 1wgl s GLY 55 N -2.86 0.69 0.13 9.45 0.00 -1.26 -4.99 107.32 108.48 1wgl s GLY 55 Ca 0.14 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 1wgl s GLY 55 CO 0.03 1.96 1.31 -0.56 0.00 0.00 0.00 173.10 175.83 1wgl h PRO 56 N 8.15 0.53 -6.43 2.90 0.13 -2.00 -3.45 132.00 131.84 1wgl h PRO 56 Ca -0.15 -0.51 -0.66 0.00 -0.87 0.00 0.00 66.00 63.80 1wgl h PRO 56 Cb 1.00 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 1wgl h PRO 56 CO 0.43 1.14 -0.71 -1.54 -0.23 0.00 0.00 178.00 177.09 1wgl s SER 57 N -7.10 4.63 0.08 1.44 1.04 -1.26 -5.04 113.70 107.49 1wgl s SER 57 Ca -0.07 -0.27 -0.35 0.00 0.48 0.00 0.00 55.95 55.74 1wgl s SER 57 Cb 0.09 -1.00 -0.16 0.00 0.10 0.00 0.00 66.02 65.05 1wgl s SER 57 CO 0.88 0.20 1.54 -1.28 0.98 0.00 0.00 173.24 175.56 1wgl h SER 58 N 3.77 -1.39 0.00 7.02 0.87 -2.04 -3.54 113.55 118.25 1wgl h SER 58 Ca -0.48 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1wgl h SER 58 Cb 1.17 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1wgl h SER 58 CO 0.55 -0.63 0.00 0.61 -0.53 0.00 0.00 176.83 176.82