#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 n SER 2 N 0.00 0.00 -2.14 1.61 3.41 -1.26 -5.15 113.62 110.10 1wg5 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wg5 n SER 2 Cb 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1wg5 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wg5 n SER 3 N -2.18 -9.04 -4.81 4.04 7.64 -1.26 -5.04 113.62 102.97 1wg5 n SER 3 Ca 0.00 1.46 -0.25 0.00 1.01 0.00 0.00 58.87 61.09 1wg5 n SER 3 Cb 0.00 -5.15 -0.05 0.00 -1.01 0.00 0.00 64.21 58.00 1wg5 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wg5 s GLY 4 N -0.53 2.36 0.23 0.23 0.00 -1.26 -5.15 107.32 103.20 1wg5 s GLY 4 Ca 0.00 -1.73 -0.23 0.00 0.00 0.00 0.00 44.72 42.76 1wg5 s GLY 4 CO 0.00 -1.90 0.82 -1.35 0.00 0.00 0.00 173.10 170.66 1wg5 s SER 5 N -4.04 -0.23 -0.09 1.64 1.04 -1.26 -5.18 113.70 105.58 1wg5 s SER 5 Ca 0.38 -0.53 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 1wg5 s SER 5 Cb 0.01 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1wg5 s SER 5 CO 0.22 -1.17 0.44 -0.55 0.98 0.00 0.00 173.24 173.16 1wg5 s SER 6 N -2.93 -0.40 1.27 7.02 0.15 -1.26 -5.17 113.70 112.38 1wg5 s SER 6 Ca 0.11 0.58 -0.14 0.00 0.70 0.00 0.00 55.95 57.20 1wg5 s SER 6 Cb -0.04 0.64 0.22 0.00 -1.71 0.00 0.00 66.02 65.13 1wg5 s SER 6 CO 0.05 -0.34 0.55 0.61 1.20 0.00 0.00 173.24 175.31 1wg5 n GLY 7 N 1.93 -3.64 3.77 9.45 0.00 -1.26 -5.08 105.19 110.36 1wg5 n GLY 7 Ca -0.17 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 1wg5 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg5 s ASN 8 N -2.79 -0.05 0.65 1.61 3.84 -1.26 -5.17 114.94 111.77 1wg5 s ASN 8 Ca 0.41 -0.91 -0.09 0.00 0.21 0.00 0.00 52.86 52.48 1wg5 s ASN 8 Cb -0.07 0.74 0.01 0.00 -0.55 0.00 0.00 41.25 41.38 1wg5 s ASN 8 CO 0.34 -1.42 1.01 -0.44 -2.79 0.00 0.00 177.10 173.81 1wg5 s SER 9 N -3.01 5.57 0.39 -4.21 0.01 -1.26 -4.98 113.70 106.21 1wg5 s SER 9 Ca 0.16 1.00 0.18 0.00 1.31 0.00 0.00 55.95 58.60 1wg5 s SER 9 Cb -0.04 -1.89 0.79 0.00 0.21 0.00 0.00 66.02 65.09 1wg5 s SER 9 CO 0.10 -1.19 1.80 1.55 0.41 0.00 0.00 173.24 175.91 1wg5 h PRO 10 N -0.44 0.00 -3.85 12.44 0.13 -2.08 -3.40 132.00 134.80 1wg5 h PRO 10 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 1wg5 h PRO 10 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1wg5 h PRO 10 CO 0.63 0.35 -0.77 0.16 -0.23 0.00 0.00 178.00 178.13 1wg5 s ASP 11 N -6.54 3.21 -0.38 1.44 -4.77 -1.26 -5.02 116.67 103.34 1wg5 s ASP 11 Ca -0.01 -0.93 0.12 0.00 -3.30 0.00 0.00 52.55 48.43 1wg5 s ASP 11 Cb 0.12 -0.81 0.38 0.00 -1.09 0.00 0.00 42.92 41.52 1wg5 s ASP 11 CO 0.68 -0.27 0.81 0.35 0.70 0.00 0.00 175.17 177.44 1wg5 n THR 12 N 4.91 0.52 -3.28 2.11 -2.24 -1.26 -5.00 114.28 110.05 1wg5 n THR 12 Ca -0.10 -4.38 -0.15 0.00 -2.27 0.00 0.00 64.05 57.14 1wg5 n THR 12 Cb 0.46 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 n ALA 13 N 0.12 -2.66 -2.99 6.98 0.00 -1.26 -4.87 120.51 115.83 1wg5 n ALA 13 Ca 0.23 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.58 1wg5 n ALA 13 Cb 0.67 -1.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 1wg5 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wg5 s ASN 14 N -2.63 5.23 0.00 0.00 2.20 -1.26 -4.29 114.94 114.19 1wg5 s ASN 14 Ca 0.13 -0.15 0.13 0.00 -0.94 0.00 0.00 52.86 52.02 1wg5 s ASN 14 Cb -0.02 -1.93 0.32 0.00 -2.00 0.00 0.00 41.25 37.61 1wg5 s ASN 14 CO 0.82 0.00 1.24 -0.67 -2.94 0.00 0.00 177.10 175.54 1wg5 n ASP 15 N 4.69 2.93 0.00 3.54 -0.08 -1.26 -4.80 116.55 121.56 1wg5 n ASP 15 Ca -0.16 -1.92 0.00 0.00 -1.51 0.00 0.00 54.79 51.20 1wg5 n ASP 15 Cb 0.52 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg5 n GLY 16 N 0.72 1.41 3.77 0.27 0.00 -1.26 -3.59 105.19 106.51 1wg5 n GLY 16 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1wg5 n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wg5 s PHE 17 N -2.00 3.06 0.00 1.61 0.08 -1.25 -2.35 117.98 117.12 1wg5 s PHE 17 Ca 0.00 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.63 1wg5 s PHE 17 Cb 0.00 -3.32 -0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1wg5 s PHE 17 CO 0.00 -1.19 -0.02 0.14 -0.10 0.00 0.00 175.22 174.05 1wg5 s VAL 18 N -1.52 0.14 -0.00 -0.44 -7.23 0.67 -1.62 120.40 110.38 1wg5 s VAL 18 Ca 0.59 -0.14 -0.00 0.00 -1.81 0.00 0.00 61.98 60.62 1wg5 s VAL 18 Cb -0.28 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 1wg5 s VAL 18 CO 0.34 -0.01 0.07 -0.60 -0.31 0.00 0.00 175.10 174.60 1wg5 s ARG 19 N -0.16 3.02 0.00 4.82 3.52 0.55 -1.02 118.95 129.69 1wg5 s ARG 19 Ca -0.01 -0.51 0.07 0.00 -0.13 0.00 0.00 55.73 55.15 1wg5 s ARG 19 Cb -0.01 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1wg5 s ARG 19 CO -0.00 0.64 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.42 1wg5 s LEU 20 N -1.71 2.08 -0.05 -0.88 1.43 0.15 -0.16 118.68 119.54 1wg5 s LEU 20 Ca 0.22 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1wg5 s LEU 20 Cb -0.12 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1wg5 s LEU 20 CO 0.13 0.22 -0.01 -0.13 0.23 0.00 0.00 176.35 176.79 1wg5 s ARG 21 N -0.70 0.57 0.00 1.70 0.52 0.88 -2.53 118.95 119.39 1wg5 s ARG 21 Ca 0.08 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 1wg5 s ARG 21 Cb -0.08 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.58 1wg5 s ARG 21 CO 0.00 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.52 1wg5 n GLY 22 N 4.63 1.00 3.78 -3.53 0.00 0.52 0.02 105.19 111.61 1wg5 n GLY 22 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1wg5 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 23 N 0.00 4.10 0.73 0.99 1.43 -0.66 -4.32 118.68 120.95 1wg5 s LEU 23 Ca 0.00 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1wg5 s LEU 23 Cb 0.00 -4.21 0.04 0.00 0.03 0.00 0.00 46.19 42.04 1wg5 s LEU 23 CO 0.00 -0.60 1.10 -2.16 0.23 0.00 0.00 176.35 174.92 1wg5 s PRO 24 N -2.57 2.46 -0.13 1.29 0.04 -1.26 -4.65 135.00 130.17 1wg5 s PRO 24 Ca 0.59 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1wg5 s PRO 24 Cb -0.23 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1wg5 s PRO 24 CO 0.29 -1.50 2.12 -0.06 0.04 0.00 0.00 177.00 177.89 1wg5 s PHE 25 N -2.69 1.22 0.00 0.56 0.08 -1.26 -1.09 117.98 114.80 1wg5 s PHE 25 Ca 0.63 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.87 1wg5 s PHE 25 Cb -0.18 -4.04 0.00 0.00 -0.57 0.00 0.00 43.02 38.22 1wg5 s PHE 25 CO 0.51 -4.59 0.00 0.41 -0.10 0.00 0.00 175.22 171.44 1wg5 n GLY 26 N 5.32 0.91 3.71 4.36 0.00 -1.26 -5.04 105.19 113.19 1wg5 n GLY 26 Ca 0.26 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1wg5 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg5 s SER 28 N 1.32 0.04 0.28 0.00 0.01 -1.26 -5.03 113.70 109.06 1wg5 s SER 28 Ca 0.77 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1wg5 s SER 28 Cb -0.53 0.47 0.63 0.00 0.21 0.00 0.00 66.02 66.80 1wg5 s SER 28 CO 0.34 -0.97 1.73 0.11 0.41 0.00 0.00 173.24 174.85 1wg5 h LYS 29 N 2.46 0.48 -1.03 12.44 1.57 -1.98 0.15 116.57 130.67 1wg5 h LYS 29 Ca -0.32 -0.03 0.26 0.00 -1.87 0.00 0.00 60.65 58.70 1wg5 h LYS 29 Cb 1.25 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.34 1wg5 h LYS 29 CO 0.45 0.32 0.63 0.93 -0.57 0.00 0.00 179.45 181.21 1wg5 h GLU 30 N 0.50 0.48 0.08 3.15 4.39 -1.98 0.47 114.58 121.66 1wg5 h GLU 30 Ca 0.51 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.90 1wg5 h GLU 30 Cb 0.86 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1wg5 h GLU 30 CO -0.45 0.32 -1.41 0.93 -1.16 0.00 0.00 179.01 177.23 1wg5 h GLU 31 N 0.49 0.16 0.49 2.33 4.39 -1.15 -3.35 114.58 117.94 1wg5 h GLU 31 Ca 0.64 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 1wg5 h GLU 31 Cb 1.38 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1wg5 h GLU 31 CO -0.42 1.01 -0.23 0.82 -1.16 0.00 0.00 179.01 179.03 1wg5 h ILE 32 N 0.04 0.00 -0.73 3.13 2.04 0.53 -0.07 117.51 122.46 1wg5 h ILE 32 Ca -0.19 -0.31 0.22 0.00 1.00 0.00 0.00 64.86 65.58 1wg5 h ILE 32 Cb 1.96 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.90 1wg5 h ILE 32 CO 0.15 0.00 0.09 0.52 0.00 0.00 0.00 178.15 178.91 1wg5 n VAL 33 N -4.62 -0.31 0.02 1.67 0.31 0.14 0.12 118.33 115.66 1wg5 n VAL 33 Ca -0.08 1.58 -0.18 0.00 -0.01 0.00 0.00 64.34 65.64 1wg5 n VAL 33 Cb 0.26 -2.36 -0.13 0.00 -0.91 0.00 0.00 33.84 30.71 1wg5 n VAL 33 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wg5 h GLN 34 N 0.00 0.34 -1.12 5.55 1.08 -1.69 -3.25 115.11 116.01 1wg5 h GLN 34 Ca 0.48 -0.44 0.33 0.00 -1.45 0.00 0.00 58.65 57.56 1wg5 h GLN 34 Cb 1.07 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 1wg5 h GLN 34 CO -0.66 1.15 0.94 0.35 -0.95 0.00 0.00 178.83 179.66 1wg5 h PHE 35 N -0.27 0.00 -0.92 2.96 3.57 0.29 0.84 116.94 123.42 1wg5 h PHE 35 Ca -0.10 0.00 -0.61 0.00 3.53 0.00 0.00 57.97 60.79 1wg5 h PHE 35 Cb 1.43 0.00 -0.31 0.00 2.79 0.00 0.00 35.95 39.86 1wg5 h PHE 35 CO 0.17 0.00 0.49 1.19 -2.23 0.00 0.00 178.31 177.93 1wg5 n PHE 36 N -3.85 3.01 -1.68 0.41 3.72 -0.57 -5.01 117.46 113.48 1wg5 n PHE 36 Ca 0.24 -2.67 -0.51 0.00 -0.05 0.00 0.00 57.45 54.45 1wg5 n PHE 36 Cb 1.30 -1.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 1wg5 n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wg5 n SER 37 N -0.92 2.87 0.00 4.37 2.88 0.29 -1.05 113.62 122.07 1wg5 n SER 37 Ca 0.57 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1wg5 n SER 37 Cb 0.85 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 38 N 4.03 2.36 3.93 0.46 0.00 -1.26 -5.08 105.19 109.63 1wg5 n GLY 38 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1wg5 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 39 N 0.00 4.29 -0.24 0.99 1.43 -0.21 -5.09 118.68 119.84 1wg5 s LEU 39 Ca 0.00 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1wg5 s LEU 39 Cb 0.00 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1wg5 s LEU 39 CO 0.00 0.01 0.03 -0.70 0.23 0.00 0.00 176.35 175.92 1wg5 s GLU 40 N -3.22 3.57 0.11 1.70 2.12 -1.26 -5.01 118.70 116.70 1wg5 s GLU 40 Ca 0.36 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 55.25 1wg5 s GLU 40 Cb -0.11 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1wg5 s GLU 40 CO 0.29 -0.18 -0.14 0.42 -0.54 0.00 0.00 175.26 175.11 1wg5 s ILE 41 N 1.53 3.13 0.56 -3.70 1.01 -1.26 -2.20 121.20 120.26 1wg5 s ILE 41 Ca 0.06 -1.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.16 1wg5 s ILE 41 Cb -0.15 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1wg5 s ILE 41 CO 0.01 0.11 1.07 0.68 0.00 0.00 0.00 174.94 176.81 1wg5 s VAL 42 N -1.18 3.64 0.08 2.92 -7.23 -1.13 -4.81 120.40 112.69 1wg5 s VAL 42 Ca 0.20 0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 60.95 1wg5 s VAL 42 Cb -0.11 -3.36 -0.07 0.00 0.56 0.00 0.00 36.38 33.40 1wg5 s VAL 42 CO 0.12 -0.35 1.39 -2.16 -0.31 0.00 0.00 175.10 173.79 1wg5 s PRO 43 N -3.67 4.32 -1.36 4.82 0.04 -1.26 -2.76 135.00 135.13 1wg5 s PRO 43 Ca 0.67 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.74 1wg5 s PRO 43 Cb -0.18 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1wg5 s PRO 43 CO 0.30 -0.46 0.05 0.09 0.04 0.00 0.00 177.00 177.02 1wg5 n ASN 44 N 4.34 -4.82 -2.04 6.66 4.13 -1.26 -4.90 115.26 117.36 1wg5 n ASN 44 Ca 0.12 -0.04 -0.25 0.00 1.68 0.00 0.00 54.58 56.09 1wg5 n ASN 44 Cb 0.43 -3.91 0.12 0.00 -1.54 0.00 0.00 39.78 34.88 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wg5 n GLY 45 N -1.05 5.40 3.10 7.41 0.00 -1.11 -4.95 105.19 113.99 1wg5 n GLY 45 Ca -0.18 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 1wg5 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg5 s MET 46 N -3.54 1.05 -0.07 1.61 -1.94 -1.26 -0.00 119.30 115.14 1wg5 s MET 46 Ca 0.57 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 54.06 1wg5 s MET 46 Cb 0.47 -1.02 0.01 0.00 2.01 0.00 0.00 34.83 36.30 1wg5 s MET 46 CO 0.03 0.28 -0.14 0.99 -0.01 0.00 0.00 175.02 176.17 1wg5 s THR 47 N -0.39 1.28 -0.38 2.05 2.01 0.64 -4.97 115.64 115.88 1wg5 s THR 47 Ca 0.05 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1wg5 s THR 47 Cb -0.05 -1.16 0.12 0.00 0.01 0.00 0.00 72.50 71.42 1wg5 s THR 47 CO -0.00 0.39 0.18 -0.76 -0.69 0.00 0.00 174.62 173.73 1wg5 s LEU 48 N 0.63 2.44 1.13 4.42 1.02 -1.26 -0.58 118.68 126.48 1wg5 s LEU 48 Ca -0.15 -2.20 -0.17 0.00 0.02 0.00 0.00 54.13 51.63 1wg5 s LEU 48 Cb -0.16 -0.93 0.25 0.00 0.02 0.00 0.00 46.19 45.37 1wg5 s LEU 48 CO 0.04 -0.33 1.10 -2.16 0.02 0.00 0.00 176.35 175.03 1wg5 s PRO 49 N 0.91 -0.62 0.32 1.29 0.04 -1.26 -5.01 135.00 130.66 1wg5 s PRO 49 Ca 0.14 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.28 1wg5 s PRO 49 Cb -0.22 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.09 -3.36 0.45 0.14 0.04 0.00 0.00 177.00 174.18 1wg5 s VAL 50 N -3.00 0.00 0.07 -0.36 -7.23 -1.26 -3.62 120.40 105.00 1wg5 s VAL 50 Ca 0.69 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1wg5 s VAL 50 Cb -0.13 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.27 1wg5 s VAL 50 CO 0.57 0.00 0.09 0.47 -0.31 0.00 0.00 175.10 175.92 1wg5 n ASP 51 N -1.16 -0.11 0.26 4.85 8.00 0.17 -4.79 116.55 123.76 1wg5 n ASP 51 Ca 0.01 -0.98 0.12 0.00 0.71 0.00 0.00 54.79 54.65 1wg5 n ASP 51 Cb 0.62 -0.07 0.68 0.00 -0.02 0.00 0.00 41.12 42.33 1wg5 n ASP 51 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1wg5 h PHE 52 N -1.11 0.00 0.00 1.24 0.04 -2.01 -2.13 116.94 112.96 1wg5 h PHE 52 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1wg5 h PHE 52 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1wg5 h PHE 52 CO 0.00 0.14 -1.11 1.04 -0.60 0.00 0.00 178.31 177.77 1wg5 n GLN 53 N -3.59 0.19 0.00 1.51 6.02 -1.26 -4.96 117.38 115.29 1wg5 n GLN 53 Ca -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1wg5 n GLN 53 Cb 0.27 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wg5 n GLY 54 N 1.42 1.20 3.61 1.08 0.00 -0.80 -5.08 105.19 106.62 1wg5 n GLY 54 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1wg5 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wg5 s ARG 55 N -0.16 3.99 0.13 1.61 0.52 -1.26 -4.60 118.95 119.18 1wg5 s ARG 55 Ca 0.00 0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 55.41 1wg5 s ARG 55 Cb 0.00 -3.70 -0.13 0.00 0.52 0.00 0.00 34.95 31.65 1wg5 s ARG 55 CO 0.00 -0.51 0.45 -1.13 0.02 0.00 0.00 175.30 174.12 1wg5 n SER 56 N 5.83 -0.79 -1.47 0.23 3.41 -1.26 -0.66 113.62 118.91 1wg5 n SER 56 Ca -0.01 0.84 0.08 0.00 -0.26 0.00 0.00 58.87 59.53 1wg5 n SER 56 Cb 0.49 -0.70 0.32 0.00 -0.26 0.00 0.00 64.21 64.06 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wg5 n THR 57 N 0.16 1.66 -1.19 6.66 -2.24 -1.24 -4.69 114.28 113.41 1wg5 n THR 57 Ca 0.14 -1.05 -0.06 0.00 -2.27 0.00 0.00 64.05 60.80 1wg5 n THR 57 Cb 0.17 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1wg5 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wg5 n GLY 58 N 1.05 0.73 3.33 3.38 0.00 -1.26 -4.85 105.19 107.56 1wg5 n GLY 58 Ca 0.23 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1wg5 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg5 s GLU 59 N -2.24 1.36 0.02 1.61 2.02 -1.26 -0.35 118.70 119.86 1wg5 s GLU 59 Ca 0.00 -1.19 -0.25 0.00 0.02 0.00 0.00 54.97 53.56 1wg5 s GLU 59 Cb 0.00 -1.68 0.06 0.00 0.10 0.00 0.00 34.13 32.61 1wg5 s GLU 59 CO 0.00 0.41 0.56 0.00 0.02 0.00 0.00 175.26 176.25 1wg5 s ALA 60 N -1.02 -1.45 -0.13 5.21 0.00 -1.05 -4.09 121.76 119.24 1wg5 s ALA 60 Ca 0.10 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1wg5 s ALA 60 Cb -0.10 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1wg5 s ALA 60 CO 0.04 -0.47 -0.15 -0.06 0.00 0.00 0.00 175.76 175.12 1wg5 s PHE 61 N -2.08 2.11 -0.07 0.00 0.08 0.26 -0.68 117.98 117.59 1wg5 s PHE 61 Ca -0.07 -1.09 0.02 0.00 0.12 0.00 0.00 56.93 55.90 1wg5 s PHE 61 Cb -0.01 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1wg5 s PHE 61 CO 0.01 -0.58 -0.11 0.08 -0.10 0.00 0.00 175.22 174.53 1wg5 s VAL 62 N 1.22 3.34 -0.36 -0.44 1.01 -0.18 -0.26 120.40 124.73 1wg5 s VAL 62 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1wg5 s VAL 62 Cb -0.14 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1wg5 s VAL 62 CO -0.06 0.58 0.11 -1.58 0.00 0.00 0.00 175.10 174.16 1wg5 s GLN 63 N -0.58 2.37 0.63 2.72 0.74 1.00 -0.24 119.66 126.29 1wg5 s GLN 63 Ca 0.08 -1.43 -0.12 0.00 0.05 0.00 0.00 55.36 53.94 1wg5 s GLN 63 Cb -0.12 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 1wg5 s GLN 63 CO 0.02 -0.80 1.04 -0.06 -0.55 0.00 0.00 175.29 174.93 1wg5 s PHE 64 N 1.27 3.30 0.42 1.67 0.08 -0.99 -2.84 117.98 120.88 1wg5 s PHE 64 Ca 0.01 1.40 0.20 0.00 0.12 0.00 0.00 56.93 58.66 1wg5 s PHE 64 Cb -0.21 -2.84 1.15 0.00 -0.57 0.00 0.00 43.02 40.55 1wg5 s PHE 64 CO -0.01 -0.93 1.79 0.00 -0.10 0.00 0.00 175.22 175.97 1wg5 h ALA 65 N -0.18 2.33 -2.75 5.36 0.00 -1.73 -3.42 119.26 118.87 1wg5 h ALA 65 Ca -0.45 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1wg5 h ALA 65 Cb 1.20 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1wg5 h ALA 65 CO 0.59 -0.71 0.36 0.45 0.00 0.00 0.00 179.25 179.94 1wg5 s SER 66 N -5.30 -0.15 0.07 0.00 0.15 -1.25 -4.95 113.70 102.26 1wg5 s SER 66 Ca -0.08 -0.66 -0.28 0.00 0.70 0.00 0.00 55.95 55.63 1wg5 s SER 66 Cb 0.25 0.65 -0.17 0.00 -1.71 0.00 0.00 66.02 65.04 1wg5 s SER 66 CO 0.80 -1.24 1.60 -0.61 1.20 0.00 0.00 173.24 174.99 1wg5 h GLN 67 N 2.00 -0.51 -1.81 5.44 -0.00 -1.86 -1.55 115.11 116.83 1wg5 h GLN 67 Ca -0.24 0.03 0.53 0.00 -0.00 0.00 0.00 58.65 58.98 1wg5 h GLN 67 Cb 1.24 0.12 -0.08 0.00 0.00 0.00 0.00 27.48 28.75 1wg5 h GLN 67 CO 0.28 -0.31 1.29 1.05 0.00 0.00 0.00 178.83 181.14 1wg5 h GLU 68 N -0.59 0.01 0.15 1.69 4.11 -1.97 1.02 114.58 119.00 1wg5 h GLU 68 Ca -0.05 -0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.03 1wg5 h GLU 68 Cb 0.44 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wg5 h GLU 68 CO 0.09 0.00 -1.81 0.82 0.07 0.00 0.00 179.01 178.18 1wg5 h ILE 69 N 0.01 0.85 -0.86 -1.06 2.04 -1.84 -3.32 117.51 113.32 1wg5 h ILE 69 Ca 0.89 -2.49 0.09 0.00 1.00 0.00 0.00 64.86 64.34 1wg5 h ILE 69 Cb 3.46 2.67 -0.07 0.00 -0.74 0.00 0.00 36.82 42.14 1wg5 h ILE 69 CO -0.07 0.86 0.52 0.00 0.00 0.00 0.00 178.15 179.46 1wg5 h ALA 70 N 0.17 1.23 -0.74 1.87 0.00 0.20 -1.34 119.26 120.65 1wg5 h ALA 70 Ca -0.36 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1wg5 h ALA 70 Cb 2.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1wg5 h ALA 70 CO 0.14 0.18 0.32 0.93 0.00 0.00 0.00 179.25 180.82 1wg5 h GLU 71 N 0.88 1.08 -0.60 0.00 5.08 -1.38 -1.23 114.58 118.41 1wg5 h GLU 71 Ca 0.40 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1wg5 h GLU 71 Cb 0.32 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1wg5 h GLU 71 CO -0.22 0.86 0.40 0.87 -1.00 0.00 0.00 179.01 179.91 1wg5 h LYS 72 N 1.06 0.65 0.00 2.33 1.57 -1.35 -1.42 116.57 119.40 1wg5 h LYS 72 Ca 0.25 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 1wg5 h LYS 72 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1wg5 h LYS 72 CO -0.03 0.43 -0.88 0.00 -0.57 0.00 0.00 179.45 178.40 1wg5 h ALA 73 N 1.66 0.57 -0.83 3.86 0.00 -1.15 -3.30 119.26 120.07 1wg5 h ALA 73 Ca 0.24 -0.73 0.12 0.00 0.00 0.00 0.00 54.91 54.54 1wg5 h ALA 73 Cb 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1wg5 h ALA 73 CO -0.07 0.94 0.54 -0.07 0.00 0.00 0.00 179.25 180.59 1wg5 h LEU 74 N 0.00 0.64 -2.19 0.00 3.38 -0.10 0.24 115.31 117.28 1wg5 h LEU 74 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wg5 h LEU 74 Cb 1.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1wg5 h LEU 74 CO 0.08 0.36 0.00 0.11 0.09 0.00 0.00 178.44 179.08 1wg5 h LYS 75 N 0.70 0.00 -1.62 1.13 1.79 -1.62 -2.53 116.57 114.42 1wg5 h LYS 75 Ca 0.40 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.57 1wg5 h LYS 75 Cb 0.57 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.10 1wg5 h LYS 75 CO -0.16 0.00 0.36 1.63 -1.08 0.00 0.00 179.45 180.19 1wg5 n LYS 76 N -2.68 1.77 -2.67 3.15 5.02 0.85 -4.94 118.16 118.64 1wg5 n LYS 76 Ca -0.02 -1.45 -0.34 0.00 -2.02 0.00 0.00 58.31 54.48 1wg5 n LYS 76 Cb 0.06 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.43 1wg5 n LYS 76 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1wg5 s HIS 77 N -1.57 3.19 0.00 2.13 2.46 -0.96 -3.19 115.29 117.35 1wg5 s HIS 77 Ca 0.30 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.44 1wg5 s HIS 77 Cb 0.23 -2.97 0.00 0.00 -0.13 0.00 0.00 32.58 29.70 1wg5 s HIS 77 CO -0.02 -0.46 0.00 1.63 -2.47 0.00 0.00 174.74 173.42 1wg5 n LYS 78 N -0.67 -1.12 -2.00 2.88 4.76 0.51 -4.90 118.16 117.61 1wg5 n LYS 78 Ca 0.08 0.28 -0.43 0.00 -2.87 0.00 0.00 58.31 55.37 1wg5 n LYS 78 Cb 0.53 -4.48 -0.03 0.00 -1.84 0.00 0.00 35.03 29.21 1wg5 n LYS 78 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wg5 s GLU 79 N -1.38 3.75 0.35 1.97 0.41 -0.87 -3.73 118.70 119.21 1wg5 s GLU 79 Ca 0.00 1.81 -0.25 0.00 -0.41 0.00 0.00 54.97 56.13 1wg5 s GLU 79 Cb 0.00 -4.09 -0.10 0.00 -1.78 0.00 0.00 34.13 28.16 1wg5 s GLU 79 CO 0.00 -1.35 0.96 -0.98 -0.49 0.00 0.00 175.26 173.40 1wg5 s ARG 80 N 4.85 4.46 -0.58 1.61 1.04 -1.26 -1.47 118.95 127.60 1wg5 s ARG 80 Ca 0.77 1.31 0.02 0.00 -1.04 0.00 0.00 55.73 56.79 1wg5 s ARG 80 Cb -0.28 -2.64 0.15 0.00 -2.04 0.00 0.00 34.95 30.14 1wg5 s ARG 80 CO 0.31 0.16 0.35 0.42 -0.04 0.00 0.00 175.30 176.51 1wg5 s ILE 81 N -1.74 2.99 0.00 4.99 1.01 -0.75 -4.83 121.20 122.87 1wg5 s ILE 81 Ca 0.54 -3.37 0.00 0.00 0.00 0.00 0.00 60.65 57.82 1wg5 s ILE 81 Cb -0.17 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1wg5 s ILE 81 CO 0.22 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.92 1wg5 n GLY 82 N 3.04 2.35 2.07 6.18 0.00 -1.26 -4.20 105.19 113.36 1wg5 n GLY 82 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1wg5 n GLY 82 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wg5 n HIS 83 N 0.00 -0.35 -3.20 1.61 1.44 -1.26 -5.12 115.22 108.34 1wg5 n HIS 83 Ca 0.00 -0.45 0.04 0.00 -2.01 0.00 0.00 57.72 55.30 1wg5 n HIS 83 Cb 0.00 0.89 -0.02 0.00 0.12 0.00 0.00 29.99 30.99 1wg5 n HIS 83 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wg5 s ARG 84 N 0.02 0.43 0.42 -1.40 1.81 -1.26 -5.03 118.95 113.95 1wg5 s ARG 84 Ca 0.02 0.81 -0.26 0.00 -1.72 0.00 0.00 55.73 54.58 1wg5 s ARG 84 Cb 0.07 0.45 -0.10 0.00 -0.45 0.00 0.00 34.95 34.92 1wg5 s ARG 84 CO -0.02 -0.43 1.30 0.66 -0.68 0.00 0.00 175.30 176.13 1wg5 n TYR 85 N 5.42 2.24 -5.04 -0.53 4.01 -1.26 -1.81 117.16 120.18 1wg5 n TYR 85 Ca -0.04 0.50 -0.32 0.00 -0.16 0.00 0.00 57.90 57.87 1wg5 n TYR 85 Cb 0.52 -2.39 -0.16 0.00 -0.31 0.00 0.00 39.34 36.99 1wg5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wg5 s ILE 86 N -1.19 2.46 -0.40 -0.72 -1.09 -0.54 -4.54 121.20 115.18 1wg5 s ILE 86 Ca 0.60 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 58.01 1wg5 s ILE 86 Cb -0.51 -1.98 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 1wg5 s ILE 86 CO 0.59 0.55 0.27 -1.61 -1.23 0.00 0.00 174.94 173.50 1wg5 s GLU 87 N 0.33 2.90 -0.18 2.79 8.01 0.10 0.19 118.70 132.84 1wg5 s GLU 87 Ca -0.15 -1.07 -0.13 0.00 0.01 0.00 0.00 54.97 53.62 1wg5 s GLU 87 Cb -0.17 -3.89 -0.05 0.00 -4.31 0.00 0.00 34.13 25.71 1wg5 s GLU 87 CO 0.08 -0.75 0.27 0.42 0.01 0.00 0.00 175.26 175.28 1wg5 s ILE 88 N 1.63 5.31 -0.05 -1.63 1.01 -1.26 -0.08 121.20 126.13 1wg5 s ILE 88 Ca 0.04 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1wg5 s ILE 88 Cb -0.19 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1wg5 s ILE 88 CO 0.08 0.37 -0.02 -0.36 0.00 0.00 0.00 174.94 175.01 1wg5 s PHE 89 N 0.67 0.61 -0.05 3.97 0.08 0.78 -4.86 117.98 119.18 1wg5 s PHE 89 Ca 0.14 -0.14 -0.38 0.00 0.12 0.00 0.00 56.93 56.68 1wg5 s PHE 89 Cb -0.13 -0.64 -0.16 0.00 -0.57 0.00 0.00 43.02 41.52 1wg5 s PHE 89 CO 0.04 -0.22 1.48 1.17 -0.10 0.00 0.00 175.22 177.59 1wg5 n LYS 90 N 4.43 1.11 -3.66 0.44 0.00 -1.26 -0.33 118.16 118.89 1wg5 n LYS 90 Ca -0.19 0.40 -0.18 0.00 0.00 0.00 0.00 58.31 58.34 1wg5 n LYS 90 Cb 0.50 -2.06 -0.05 0.00 0.00 0.00 0.00 35.03 33.43 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wg5 n SER 91 N 3.51 1.47 -3.93 3.14 2.88 -0.64 -4.75 113.62 115.30 1wg5 n SER 91 Ca 0.21 -2.48 -0.11 0.00 -1.33 0.00 0.00 58.87 55.17 1wg5 n SER 91 Cb 0.16 0.62 -0.13 0.00 -0.75 0.00 0.00 64.21 64.11 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg5 s SER 92 N -2.73 0.16 0.17 -3.46 1.04 -1.26 -3.92 113.70 103.70 1wg5 s SER 92 Ca 0.11 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.09 1wg5 s SER 92 Cb 0.01 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.23 1wg5 s SER 92 CO 0.08 -0.13 1.35 -1.14 0.98 0.00 0.00 173.24 174.38 1wg5 n ARG 93 N 2.39 -0.30 -0.21 4.02 0.63 -1.26 -0.15 116.66 121.77 1wg5 n ARG 93 Ca -0.18 1.33 -0.08 0.00 -0.92 0.00 0.00 57.85 58.01 1wg5 n ARG 93 Cb 0.58 -1.97 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 1wg5 n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wg5 h ALA 94 N 0.78 -0.28 -0.89 5.13 0.00 -1.90 -0.07 119.26 122.03 1wg5 h ALA 94 Ca 0.21 0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.42 1wg5 h ALA 94 Cb 0.43 0.93 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 1wg5 h ALA 94 CO -0.84 -0.80 -0.22 0.93 0.00 0.00 0.00 179.25 178.32 1wg5 h GLU 95 N -0.21 0.00 -3.63 0.00 5.08 -0.94 -3.40 114.58 111.48 1wg5 h GLU 95 Ca 0.19 -0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.21 1wg5 h GLU 95 Cb 0.56 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 1wg5 h GLU 95 CO -0.69 0.00 1.33 0.28 -1.00 0.00 0.00 179.01 178.93 1wg5 n VAL 96 N -5.57 0.00 -1.74 3.13 0.31 -0.04 -3.96 118.33 110.46 1wg5 n VAL 96 Ca 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1wg5 n VAL 96 Cb 0.45 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wg5 n ARG 97 N 5.59 -4.94 -0.07 5.55 5.12 -1.26 -4.91 116.66 121.75 1wg5 n ARG 97 Ca 0.48 3.63 0.06 0.00 -1.93 0.00 0.00 57.85 60.09 1wg5 n ARG 97 Cb 0.04 -4.05 0.08 0.00 -1.16 0.00 0.00 32.46 27.38 1wg5 n ARG 97 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wg5 n THR 98 N -0.29 1.44 -2.80 0.55 -2.24 -1.25 -4.99 114.28 104.70 1wg5 n THR 98 Ca 0.00 -1.66 -0.43 0.00 -2.27 0.00 0.00 64.05 59.70 1wg5 n THR 98 Cb 0.00 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wg5 s SER 99 N -2.06 6.42 0.00 3.42 0.01 -1.26 -4.90 113.70 115.33 1wg5 s SER 99 Ca 0.19 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1wg5 s SER 99 Cb 0.16 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1wg5 s SER 99 CO 0.02 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.08 1wg5 n GLY 100 N 5.04 4.50 3.62 3.44 0.00 -1.26 -5.07 105.19 115.45 1wg5 n GLY 100 Ca 0.04 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1wg5 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg5 s PRO 101 N -3.45 3.66 -0.35 1.61 0.04 -1.26 -4.95 135.00 130.30 1wg5 s PRO 101 Ca 0.00 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1wg5 s PRO 101 Cb 0.00 -4.07 0.14 0.00 0.04 0.00 0.00 34.50 30.61 1wg5 s PRO 101 CO 0.00 -1.46 0.26 -1.12 0.04 0.00 0.00 177.00 174.73 1wg5 s SER 102 N 4.65 2.33 0.09 6.66 0.01 -1.26 -5.01 113.70 121.17 1wg5 s SER 102 Ca 0.72 -1.83 -0.24 0.00 1.31 0.00 0.00 55.95 55.91 1wg5 s SER 102 Cb -0.23 -0.01 -0.13 0.00 0.21 0.00 0.00 66.02 65.85 1wg5 s SER 102 CO 0.31 -0.31 1.71 -1.28 0.41 0.00 0.00 173.24 174.08 1wg5 h SER 103 N 7.22 -0.21 0.00 2.44 0.87 -2.05 -3.55 113.55 118.27 1wg5 h SER 103 Ca 0.02 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1wg5 h SER 103 Cb 1.01 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1wg5 h SER 103 CO 0.26 -0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.04