#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 s SER 2 N 0.00 -0.56 0.06 1.61 0.15 -1.26 -5.05 113.70 108.66 1wg5 s SER 2 Ca 0.00 0.95 0.03 0.00 0.70 0.00 0.00 55.95 57.62 1wg5 s SER 2 Cb 0.00 1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1wg5 s SER 2 CO 0.00 -0.15 0.07 -0.55 1.20 0.00 0.00 173.24 173.80 1wg5 s SER 3 N 1.00 5.49 -0.39 5.45 0.15 -1.26 -4.77 113.70 119.37 1wg5 s SER 3 Ca -0.05 -0.00 0.09 0.00 0.70 0.00 0.00 55.95 56.69 1wg5 s SER 3 Cb -0.04 -1.47 0.37 0.00 -1.71 0.00 0.00 66.02 63.17 1wg5 s SER 3 CO -0.12 0.19 1.35 0.61 1.20 0.00 0.00 173.24 176.47 1wg5 n GLY 4 N 0.62 1.27 2.86 9.45 0.00 -1.26 -5.08 105.19 113.05 1wg5 n GLY 4 Ca -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1wg5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg5 n SER 5 N -0.67 -5.40 0.00 1.61 2.88 -1.26 -4.95 113.62 105.83 1wg5 n SER 5 Ca -0.05 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wg5 n SER 5 Cb 0.84 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 60.57 1wg5 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wg5 n SER 6 N 1.52 0.00 0.00 -3.46 3.41 -1.26 -5.07 113.62 108.76 1wg5 n SER 6 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1wg5 n SER 6 Cb 0.30 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1wg5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 7 N -1.08 1.98 2.05 5.00 0.00 -1.26 -4.96 105.19 106.91 1wg5 n GLY 7 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1wg5 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg5 n ASN 8 N 0.00 -1.07 -3.64 1.61 5.15 -1.26 -5.12 115.26 110.93 1wg5 n ASN 8 Ca 0.00 0.52 -0.06 0.00 -0.60 0.00 0.00 54.58 54.44 1wg5 n ASN 8 Cb 0.00 1.17 -0.07 0.00 -0.53 0.00 0.00 39.78 40.35 1wg5 n ASN 8 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wg5 s SER 9 N -4.24 -0.26 1.01 1.20 1.04 -1.26 -4.78 113.70 106.41 1wg5 s SER 9 Ca 0.00 0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.79 1wg5 s SER 9 Cb 0.00 0.49 0.20 0.00 0.10 0.00 0.00 66.02 66.81 1wg5 s SER 9 CO 0.00 -0.09 1.09 -2.16 0.98 0.00 0.00 173.24 173.06 1wg5 s PRO 10 N 0.09 0.31 -0.87 4.02 0.04 -1.26 -4.97 135.00 132.36 1wg5 s PRO 10 Ca 0.05 0.48 -0.00 0.00 0.04 0.00 0.00 61.00 61.57 1wg5 s PRO 10 Cb -0.05 -1.73 0.34 0.00 0.04 0.00 0.00 34.50 33.11 1wg5 s PRO 10 CO -0.11 -2.80 1.78 -0.25 0.04 0.00 0.00 177.00 175.66 1wg5 n ASP 11 N -4.22 6.99 -3.93 6.66 8.00 -1.26 -4.90 116.55 123.89 1wg5 n ASP 11 Ca 0.05 -3.75 -0.31 0.00 0.71 0.00 0.00 54.79 51.49 1wg5 n ASP 11 Cb 0.57 -1.02 -0.15 0.00 -0.02 0.00 0.00 41.12 40.51 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wg5 s THR 12 N -4.76 1.98 -0.41 -3.53 -4.23 -1.26 -5.01 115.64 98.42 1wg5 s THR 12 Ca 0.46 -2.29 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 1wg5 s THR 12 Cb 0.32 -2.45 0.18 0.00 1.34 0.00 0.00 72.50 71.88 1wg5 s THR 12 CO -0.26 -0.66 0.62 0.00 -0.54 0.00 0.00 174.62 173.79 1wg5 s ALA 13 N 0.87 -2.32 -0.30 3.99 0.00 -1.26 -4.99 121.76 117.75 1wg5 s ALA 13 Ca 0.12 0.18 0.19 0.00 0.00 0.00 0.00 51.96 52.45 1wg5 s ALA 13 Cb -0.20 -2.72 0.47 0.00 0.00 0.00 0.00 23.12 20.67 1wg5 s ALA 13 CO -0.10 -2.22 1.23 0.09 0.00 0.00 0.00 175.76 174.76 1wg5 n ASN 14 N 4.41 0.54 -0.08 0.00 3.02 -1.26 -4.89 115.26 117.00 1wg5 n ASN 14 Ca 0.11 -2.17 -0.09 0.00 -0.03 0.00 0.00 54.58 52.40 1wg5 n ASN 14 Cb 0.57 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wg5 n ASP 15 N -0.81 1.98 0.00 6.41 8.00 -1.26 -4.75 116.55 126.12 1wg5 n ASP 15 Ca -0.00 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1wg5 n ASP 15 Cb 0.83 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.34 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg5 n GLY 16 N 2.34 1.12 3.74 0.44 0.00 -1.26 -4.33 105.19 107.25 1wg5 n GLY 16 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 3.90 -0.01 1.61 0.08 -1.24 -1.74 117.98 118.58 1wg5 s PHE 17 Ca 0.00 1.81 0.05 0.00 0.12 0.00 0.00 56.93 58.91 1wg5 s PHE 17 Cb 0.00 -2.97 -0.01 0.00 -0.57 0.00 0.00 43.02 39.46 1wg5 s PHE 17 CO 0.00 0.36 -0.15 0.14 -0.10 0.00 0.00 175.22 175.47 1wg5 s VAL 18 N -0.67 1.20 -0.11 -0.44 -7.23 0.97 -0.21 120.40 113.90 1wg5 s VAL 18 Ca 0.42 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.87 1wg5 s VAL 18 Cb -0.24 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1wg5 s VAL 18 CO 0.30 0.30 0.02 -0.60 -0.31 0.00 0.00 175.10 174.81 1wg5 s ARG 19 N -0.45 3.26 0.09 4.82 3.52 0.14 -1.17 118.95 129.16 1wg5 s ARG 19 Ca 0.05 -0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.33 1wg5 s ARG 19 Cb -0.06 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1wg5 s ARG 19 CO -0.00 0.58 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.49 1wg5 s LEU 20 N -0.54 3.16 -0.08 -0.88 1.43 0.06 -0.37 118.68 121.46 1wg5 s LEU 20 Ca 0.10 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1wg5 s LEU 20 Cb -0.12 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1wg5 s LEU 20 CO 0.02 0.19 0.16 -0.13 0.23 0.00 0.00 176.35 176.82 1wg5 s ARG 21 N -2.12 0.06 0.00 1.70 0.52 0.13 -2.93 118.95 116.31 1wg5 s ARG 21 Ca 0.22 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 1wg5 s ARG 21 Cb -0.11 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1wg5 s ARG 21 CO 0.14 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1wg5 n GLY 22 N 4.86 1.35 3.77 -3.53 0.00 -0.42 -0.20 105.19 111.02 1wg5 n GLY 22 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 4.04 1.10 0.99 1.43 -1.13 -4.52 118.68 120.60 1wg5 s LEU 23 Ca 0.00 2.31 -0.16 0.00 -1.03 0.00 0.00 54.13 55.25 1wg5 s LEU 23 Cb 0.00 -4.20 0.24 0.00 0.03 0.00 0.00 46.19 42.26 1wg5 s LEU 23 CO 0.00 -0.87 1.10 -2.16 0.23 0.00 0.00 176.35 174.65 1wg5 s PRO 24 N -2.63 -0.42 -0.11 1.29 0.04 -1.26 -4.76 135.00 127.15 1wg5 s PRO 24 Ca 0.62 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1wg5 s PRO 24 Cb -0.29 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1wg5 s PRO 24 CO 0.35 -3.24 1.58 0.12 0.04 0.00 0.00 177.00 175.85 1wg5 s PHE 25 N -2.98 2.16 0.00 0.56 2.19 -1.26 -2.26 117.98 116.38 1wg5 s PHE 25 Ca 0.68 0.43 0.00 0.00 0.33 0.00 0.00 56.93 58.37 1wg5 s PHE 25 Cb -0.14 -3.86 0.00 0.00 -1.31 0.00 0.00 43.02 37.71 1wg5 s PHE 25 CO 0.57 -3.25 0.00 0.41 1.83 0.00 0.00 175.22 174.78 1wg5 n GLY 26 N 4.17 0.54 3.68 13.12 0.00 -1.26 -5.01 105.19 120.44 1wg5 n GLY 26 Ca 0.17 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 2.68 0.50 0.21 0.00 0.01 -1.26 -5.01 113.70 110.83 1wg5 s SER 28 Ca 0.74 -1.45 -0.15 0.00 1.31 0.00 0.00 55.95 56.40 1wg5 s SER 28 Cb -0.38 0.44 0.23 0.00 0.21 0.00 0.00 66.02 66.52 1wg5 s SER 28 CO 0.32 -0.92 1.61 0.11 0.41 0.00 0.00 173.24 174.77 1wg5 h LYS 29 N 2.47 -0.04 -1.22 12.44 1.57 -1.98 0.29 116.57 130.11 1wg5 h LYS 29 Ca -0.33 0.00 0.44 0.00 -1.87 0.00 0.00 60.65 58.89 1wg5 h LYS 29 Cb 1.25 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 1wg5 h LYS 29 CO 0.48 -0.03 0.75 0.93 -0.57 0.00 0.00 179.45 181.01 1wg5 h GLU 30 N -0.04 0.05 0.02 3.15 3.07 -1.98 1.55 114.58 120.40 1wg5 h GLU 30 Ca 0.31 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.91 1wg5 h GLU 30 Cb 0.52 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1wg5 h GLU 30 CO -0.70 0.04 -1.36 0.93 -1.40 0.00 0.00 179.01 176.51 1wg5 h GLU 31 N 0.05 0.05 0.35 2.33 5.08 -0.85 -3.34 114.58 118.24 1wg5 h GLU 31 Ca 0.84 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 59.10 1wg5 h GLU 31 Cb 2.49 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.77 1wg5 h GLU 31 CO -0.56 0.84 -0.17 0.82 -1.00 0.00 0.00 179.01 178.94 1wg5 h ILE 32 N 0.01 0.00 -0.85 3.13 2.04 0.29 -1.08 117.51 121.05 1wg5 h ILE 32 Ca -0.16 -0.61 0.27 0.00 1.00 0.00 0.00 64.86 65.37 1wg5 h ILE 32 Cb 1.91 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.83 1wg5 h ILE 32 CO 0.12 0.00 0.15 0.52 0.00 0.00 0.00 178.15 178.94 1wg5 n VAL 33 N -4.94 -0.36 0.06 1.67 0.31 0.16 0.11 118.33 115.34 1wg5 n VAL 33 Ca -0.06 1.84 -0.21 0.00 -0.01 0.00 0.00 64.34 65.90 1wg5 n VAL 33 Cb 0.18 -2.77 -0.13 0.00 -0.91 0.00 0.00 33.84 30.22 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 0.52 -0.43 5.55 4.20 -1.68 -3.22 115.11 120.05 1wg5 h GLN 34 Ca 0.58 -0.68 0.13 0.00 0.06 0.00 0.00 58.65 58.73 1wg5 h GLN 34 Cb 1.32 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 29.30 1wg5 h GLN 34 CO -0.76 1.29 0.47 0.35 -0.67 0.00 0.00 178.83 179.51 1wg5 h PHE 35 N 0.07 0.00 -0.82 2.96 3.57 0.21 0.30 116.94 123.23 1wg5 h PHE 35 Ca -0.15 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.84 1wg5 h PHE 35 Cb 1.72 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 40.18 1wg5 h PHE 35 CO 0.14 0.00 0.33 1.19 -2.23 0.00 0.00 178.31 177.74 1wg5 n PHE 36 N -3.69 2.65 -1.48 0.41 3.72 -0.28 -5.04 117.46 113.76 1wg5 n PHE 36 Ca 0.08 -2.31 -0.39 0.00 -0.05 0.00 0.00 57.45 54.78 1wg5 n PHE 36 Cb 0.65 -0.94 0.03 0.00 -0.94 0.00 0.00 39.48 38.28 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 -0.98 -0.84 0.00 4.37 2.88 0.10 -1.44 113.62 117.71 1wg5 n SER 37 Ca 0.53 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 1wg5 n SER 37 Cb 1.04 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 1.74 2.85 3.91 0.46 0.00 -1.26 -4.99 105.19 107.90 1wg5 n GLY 38 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 4.21 -0.22 0.99 1.43 -0.52 -5.09 118.68 119.48 1wg5 s LEU 39 Ca 0.00 0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 53.58 1wg5 s LEU 39 Cb 0.00 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 1wg5 s LEU 39 CO 0.00 -0.04 0.03 -0.70 0.23 0.00 0.00 176.35 175.87 1wg5 s GLU 40 N -3.11 3.63 0.18 1.70 2.12 -1.26 -5.02 118.70 116.95 1wg5 s GLU 40 Ca 0.41 -0.50 0.10 0.00 0.36 0.00 0.00 54.97 55.33 1wg5 s GLU 40 Cb -0.11 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1wg5 s GLU 40 CO 0.27 -0.08 -0.14 0.42 -0.54 0.00 0.00 175.26 175.20 1wg5 s ILE 41 N 1.26 2.93 0.50 -3.70 1.01 -1.26 -2.39 121.20 119.54 1wg5 s ILE 41 Ca 0.04 -1.75 -0.18 0.00 0.00 0.00 0.00 60.65 58.75 1wg5 s ILE 41 Cb -0.15 -2.43 -0.08 0.00 0.01 0.00 0.00 42.46 39.81 1wg5 s ILE 41 CO 0.02 -0.10 1.00 0.68 0.00 0.00 0.00 174.94 176.54 1wg5 s VAL 42 N -1.65 4.21 0.05 2.92 -7.23 -1.14 -4.80 120.40 112.76 1wg5 s VAL 42 Ca 0.23 1.21 -0.31 0.00 -1.81 0.00 0.00 61.98 61.31 1wg5 s VAL 42 Cb -0.09 -3.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 1wg5 s VAL 42 CO 0.13 -0.46 1.41 -2.16 -0.31 0.00 0.00 175.10 173.71 1wg5 s PRO 43 N -3.64 4.30 -1.31 4.82 0.04 -1.26 -2.57 135.00 135.38 1wg5 s PRO 43 Ca 0.62 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1wg5 s PRO 43 Cb -0.12 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wg5 s PRO 43 CO 0.25 -0.52 0.00 0.09 0.04 0.00 0.00 177.00 176.86 1wg5 n ASN 44 N 4.78 -4.42 -2.28 6.66 3.02 -1.26 -4.90 115.26 116.86 1wg5 n ASN 44 Ca 0.12 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.56 1wg5 n ASN 44 Cb 0.43 -3.32 0.12 0.00 -0.61 0.00 0.00 39.78 36.40 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg5 n GLY 45 N -1.19 5.26 2.94 7.41 0.00 -1.06 -4.90 105.19 113.63 1wg5 n GLY 45 Ca -0.15 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.56 0.73 -0.07 1.61 -1.94 -1.26 -0.02 119.30 114.78 1wg5 s MET 46 Ca 0.61 -0.17 0.05 0.00 -1.71 0.00 0.00 55.69 54.47 1wg5 s MET 46 Cb 0.49 -0.72 -0.01 0.00 2.01 0.00 0.00 34.83 36.60 1wg5 s MET 46 CO 0.04 0.02 -0.23 0.99 -0.01 0.00 0.00 175.02 175.83 1wg5 s THR 47 N 0.45 1.96 -0.37 2.05 2.01 0.36 -4.96 115.64 117.13 1wg5 s THR 47 Ca -0.06 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1wg5 s THR 47 Cb -0.10 -1.67 0.12 0.00 0.01 0.00 0.00 72.50 70.86 1wg5 s THR 47 CO 0.00 0.54 0.18 -0.76 -0.69 0.00 0.00 174.62 173.89 1wg5 s LEU 48 N 0.07 2.13 1.13 4.42 1.02 -1.26 -0.85 118.68 125.33 1wg5 s LEU 48 Ca -0.09 -2.12 -0.17 0.00 0.02 0.00 0.00 54.13 51.77 1wg5 s LEU 48 Cb -0.15 -0.83 0.25 0.00 0.02 0.00 0.00 46.19 45.48 1wg5 s LEU 48 CO 0.05 -0.34 1.10 -2.16 0.02 0.00 0.00 176.35 175.03 1wg5 s PRO 49 N 1.03 -0.64 0.29 1.29 0.04 -1.26 -5.03 135.00 130.72 1wg5 s PRO 49 Ca 0.14 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1wg5 s PRO 49 Cb -0.21 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wg5 s PRO 49 CO -0.11 -3.36 0.39 0.14 0.04 0.00 0.00 177.00 174.10 1wg5 s VAL 50 N -2.99 0.00 0.03 -0.36 -7.23 -1.26 -3.79 120.40 104.79 1wg5 s VAL 50 Ca 0.69 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1wg5 s VAL 50 Cb -0.13 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1wg5 s VAL 50 CO 0.57 0.00 0.03 0.47 -0.31 0.00 0.00 175.10 175.86 1wg5 n ASP 51 N -0.96 0.01 0.06 4.85 8.00 -0.18 -4.76 116.55 123.57 1wg5 n ASP 51 Ca 0.01 -1.01 0.02 0.00 0.71 0.00 0.00 54.79 54.51 1wg5 n ASP 51 Cb 0.63 -0.03 0.36 0.00 -0.02 0.00 0.00 41.12 42.06 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1wg5 h PHE 52 N -0.95 0.38 0.00 1.24 3.57 -1.98 -2.02 116.94 117.18 1wg5 h PHE 52 Ca -0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1wg5 h PHE 52 Cb 0.03 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1wg5 h PHE 52 CO 0.00 0.43 -0.64 1.04 -2.23 0.00 0.00 178.31 176.91 1wg5 n GLN 53 N -4.29 0.07 0.00 1.11 1.13 -1.26 -4.93 117.38 109.20 1wg5 n GLN 53 Ca 0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1wg5 n GLN 53 Cb 0.24 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wg5 n GLY 54 N 1.46 1.24 3.59 1.08 0.00 -0.76 -5.08 105.19 106.73 1wg5 n GLY 54 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 3.85 -0.11 1.61 0.52 -1.26 -4.58 118.95 118.84 1wg5 s ARG 55 Ca 0.00 0.17 -0.34 0.00 -0.52 0.00 0.00 55.73 55.03 1wg5 s ARG 55 Cb 0.00 -3.74 -0.16 0.00 0.52 0.00 0.00 34.95 31.57 1wg5 s ARG 55 CO 0.00 -0.56 1.00 -1.13 0.02 0.00 0.00 175.30 174.63 1wg5 n SER 56 N 5.79 0.27 -0.18 0.23 3.41 -1.26 -1.01 113.62 120.87 1wg5 n SER 56 Ca -0.03 0.96 0.04 0.00 -0.26 0.00 0.00 58.87 59.58 1wg5 n SER 56 Cb 0.49 -0.74 0.20 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.80 0.11 -1.18 6.66 -2.24 -1.25 -4.78 114.28 113.40 1wg5 n THR 57 Ca 0.19 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1wg5 n THR 57 Cb 0.03 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.74 0.84 3.38 3.38 0.00 -1.26 -4.87 105.19 107.40 1wg5 n GLY 58 Ca 0.07 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.22 1.39 0.04 1.61 2.02 -1.26 -1.30 118.70 118.98 1wg5 s GLU 59 Ca 0.00 -1.42 -0.23 0.00 0.02 0.00 0.00 54.97 53.34 1wg5 s GLU 59 Cb 0.00 -1.68 0.05 0.00 0.10 0.00 0.00 34.13 32.60 1wg5 s GLU 59 CO 0.00 0.37 0.53 0.00 0.02 0.00 0.00 175.26 176.18 1wg5 s ALA 60 N -1.56 -1.36 -0.22 5.21 0.00 -1.15 -4.22 121.76 118.46 1wg5 s ALA 60 Ca 0.16 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 1wg5 s ALA 60 Cb -0.08 0.35 0.06 0.00 0.00 0.00 0.00 23.12 23.45 1wg5 s ALA 60 CO 0.08 -0.49 -0.00 -0.06 0.00 0.00 0.00 175.76 175.28 1wg5 s PHE 61 N -2.34 1.69 -0.04 0.00 0.08 -0.03 -0.76 117.98 116.59 1wg5 s PHE 61 Ca -0.06 -1.30 -0.01 0.00 0.12 0.00 0.00 56.93 55.67 1wg5 s PHE 61 Cb -0.01 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1wg5 s PHE 61 CO -0.01 -0.69 0.06 0.08 -0.10 0.00 0.00 175.22 174.56 1wg5 s VAL 62 N 1.63 4.66 -0.28 -0.44 1.01 -0.32 -0.48 120.40 126.18 1wg5 s VAL 62 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1wg5 s VAL 62 Cb -0.18 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.18 1wg5 s VAL 62 CO -0.07 0.45 -0.06 -1.58 0.00 0.00 0.00 175.10 173.83 1wg5 s GLN 63 N -1.43 2.31 0.60 2.72 0.74 0.96 -0.02 119.66 125.54 1wg5 s GLN 63 Ca 0.19 -1.32 -0.14 0.00 0.05 0.00 0.00 55.36 54.14 1wg5 s GLN 63 Cb -0.12 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 1wg5 s GLN 63 CO 0.10 -0.60 1.03 -0.06 -0.55 0.00 0.00 175.29 175.21 1wg5 s PHE 64 N 1.16 3.26 0.55 1.67 0.08 -0.71 -2.88 117.98 121.11 1wg5 s PHE 64 Ca -0.07 1.44 0.28 0.00 0.12 0.00 0.00 56.93 58.70 1wg5 s PHE 64 Cb -0.20 -2.87 1.45 0.00 -0.57 0.00 0.00 43.02 40.83 1wg5 s PHE 64 CO -0.03 -0.85 1.96 0.00 -0.10 0.00 0.00 175.22 176.20 1wg5 h ALA 65 N 0.21 2.50 -2.63 5.36 0.00 -1.78 -3.44 119.26 119.47 1wg5 h ALA 65 Ca -0.46 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1wg5 h ALA 65 Cb 1.20 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1wg5 h ALA 65 CO 0.59 -0.77 0.36 0.45 0.00 0.00 0.00 179.25 179.89 1wg5 s SER 66 N -5.85 -0.44 0.14 0.00 0.15 -1.26 -5.02 113.70 101.41 1wg5 s SER 66 Ca -0.05 -0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.36 1wg5 s SER 66 Cb 0.19 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1wg5 s SER 66 CO 0.70 -0.81 1.67 -0.61 1.20 0.00 0.00 173.24 175.39 1wg5 h GLN 67 N 2.00 -0.09 -1.07 5.44 5.75 -1.85 -0.99 115.11 124.30 1wg5 h GLN 67 Ca -0.27 0.01 0.34 0.00 -0.15 0.00 0.00 58.65 58.57 1wg5 h GLN 67 Cb 1.27 0.02 -0.14 0.00 1.07 0.00 0.00 27.48 29.71 1wg5 h GLN 67 CO 0.33 -0.06 0.64 1.05 -2.65 0.00 0.00 178.83 178.14 1wg5 h GLU 68 N -0.10 0.28 0.01 1.69 4.11 -1.97 0.98 114.58 119.58 1wg5 h GLU 68 Ca 0.12 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.34 1wg5 h GLU 68 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wg5 h GLU 68 CO -0.29 0.18 -0.91 0.82 0.07 0.00 0.00 179.01 178.88 1wg5 h ILE 69 N 0.29 1.60 -0.15 -1.06 2.04 -1.62 -3.26 117.51 115.34 1wg5 h ILE 69 Ca 0.73 -2.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.62 1wg5 h ILE 69 Cb 1.84 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 40.54 1wg5 h ILE 69 CO -0.52 0.85 0.04 0.00 0.00 0.00 0.00 178.15 178.52 1wg5 h ALA 70 N 1.04 0.20 -1.00 1.87 0.00 0.19 -2.92 119.26 118.64 1wg5 h ALA 70 Ca -0.03 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1wg5 h ALA 70 Cb 1.59 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1wg5 h ALA 70 CO 0.13 -0.16 0.63 0.93 0.00 0.00 0.00 179.25 180.78 1wg5 h GLU 71 N 0.05 0.98 -0.79 0.00 5.08 -1.25 0.00 114.58 118.66 1wg5 h GLU 71 Ca 0.05 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1wg5 h GLU 71 Cb 0.26 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1wg5 h GLU 71 CO 0.00 0.65 0.52 0.87 -1.00 0.00 0.00 179.01 180.05 1wg5 h LYS 72 N 1.01 0.94 0.00 2.33 1.57 -1.56 -1.06 116.57 119.80 1wg5 h LYS 72 Ca 0.49 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1wg5 h LYS 72 Cb 0.46 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1wg5 h LYS 72 CO -0.25 0.62 -0.20 0.00 -0.57 0.00 0.00 179.45 179.05 1wg5 h ALA 73 N 1.54 0.90 -0.61 3.86 0.00 -0.96 -3.28 119.26 120.71 1wg5 h ALA 73 Ca 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1wg5 h ALA 73 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wg5 h ALA 73 CO -0.09 0.08 0.30 -0.07 0.00 0.00 0.00 179.25 179.46 1wg5 h LEU 74 N 0.00 0.78 -0.82 0.00 3.38 0.29 -0.87 115.31 118.07 1wg5 h LEU 74 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wg5 h LEU 74 Cb 1.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wg5 h LEU 74 CO 0.01 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.48 1wg5 n LYS 75 N -4.36 0.12 -0.38 1.13 4.76 -1.17 -2.45 118.16 115.81 1wg5 n LYS 75 Ca 0.06 0.50 -0.06 0.00 -2.87 0.00 0.00 58.31 55.94 1wg5 n LYS 75 Cb 0.13 -1.81 0.04 0.00 -1.84 0.00 0.00 35.03 31.54 1wg5 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wg5 n LYS 76 N -2.06 1.32 -2.17 1.97 5.02 -0.33 -4.92 118.16 116.99 1wg5 n LYS 76 Ca 0.01 -0.72 -0.33 0.00 -2.02 0.00 0.00 58.31 55.24 1wg5 n LYS 76 Cb 0.11 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.81 2.94 0.00 2.13 2.46 -1.03 -3.04 115.29 117.95 1wg5 s HIS 77 Ca 0.14 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.20 1wg5 s HIS 77 Cb 0.11 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 1wg5 s HIS 77 CO 0.02 -1.11 0.00 1.63 -2.47 0.00 0.00 174.74 172.81 1wg5 n LYS 78 N -1.72 -1.70 -2.31 2.88 4.76 0.35 -4.90 118.16 115.52 1wg5 n LYS 78 Ca 0.09 0.43 -0.43 0.00 -2.87 0.00 0.00 58.31 55.53 1wg5 n LYS 78 Cb 0.53 -4.81 -0.02 0.00 -1.84 0.00 0.00 35.03 28.88 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 -1.77 3.79 0.32 1.97 0.41 -0.92 -3.90 118.70 118.60 1wg5 s GLU 79 Ca 0.00 1.30 -0.26 0.00 -0.41 0.00 0.00 54.97 55.60 1wg5 s GLU 79 Cb 0.00 -3.96 -0.10 0.00 -1.78 0.00 0.00 34.13 28.29 1wg5 s GLU 79 CO 0.00 -1.29 0.97 -0.98 -0.49 0.00 0.00 175.26 173.47 1wg5 s ARG 80 N 4.53 4.57 -0.62 1.61 1.04 -1.26 -1.01 118.95 127.81 1wg5 s ARG 80 Ca 0.62 1.39 0.00 0.00 -1.04 0.00 0.00 55.73 56.71 1wg5 s ARG 80 Cb -0.19 -2.84 0.16 0.00 -2.04 0.00 0.00 34.95 30.04 1wg5 s ARG 80 CO 0.27 0.25 0.41 0.42 -0.04 0.00 0.00 175.30 176.61 1wg5 s ILE 81 N -1.55 3.29 0.00 4.99 1.01 -1.01 -4.74 121.20 123.20 1wg5 s ILE 81 Ca 0.50 -3.29 0.00 0.00 0.00 0.00 0.00 60.65 57.86 1wg5 s ILE 81 Cb -0.21 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1wg5 s ILE 81 CO 0.26 -0.88 0.00 0.61 0.00 0.00 0.00 174.94 174.93 1wg5 n GLY 82 N 3.11 2.77 0.00 6.18 0.00 -1.26 -4.30 105.19 111.69 1wg5 n GLY 82 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -3.15 1.61 1.44 -1.26 -5.13 115.22 108.73 1wg5 n HIS 83 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1wg5 n HIS 83 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.00 0.56 0.26 -1.40 1.81 -1.26 -5.08 118.95 113.84 1wg5 s ARG 84 Ca 0.00 0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 54.41 1wg5 s ARG 84 Cb 0.00 0.34 -0.15 0.00 -0.45 0.00 0.00 34.95 34.70 1wg5 s ARG 84 CO 0.00 -0.90 0.93 0.66 -0.68 0.00 0.00 175.30 175.31 1wg5 n TYR 85 N 5.42 0.93 -4.62 -0.53 4.01 -1.26 -2.39 117.16 118.72 1wg5 n TYR 85 Ca 0.03 0.76 -0.33 0.00 -0.16 0.00 0.00 57.90 58.19 1wg5 n TYR 85 Cb 0.53 -2.20 -0.15 0.00 -0.31 0.00 0.00 39.34 37.22 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 -0.97 2.89 -0.31 -0.72 -1.09 -0.18 -4.66 121.20 116.17 1wg5 s ILE 86 Ca 0.61 -0.70 -0.14 0.00 -2.23 0.00 0.00 60.65 58.18 1wg5 s ILE 86 Cb -0.76 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1wg5 s ILE 86 CO 0.59 0.51 0.34 -1.61 -1.23 0.00 0.00 174.94 173.54 1wg5 s GLU 87 N 0.63 3.79 -0.15 2.79 2.02 0.72 0.13 118.70 128.63 1wg5 s GLU 87 Ca -0.08 -0.23 -0.05 0.00 0.02 0.00 0.00 54.97 54.64 1wg5 s GLU 87 Cb -0.16 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 1wg5 s GLU 87 CO 0.03 -0.38 0.02 0.42 0.02 0.00 0.00 175.26 175.37 1wg5 s ILE 88 N 2.00 4.42 -0.03 -1.63 1.01 -1.26 0.22 121.20 125.92 1wg5 s ILE 88 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1wg5 s ILE 88 Cb -0.16 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1wg5 s ILE 88 CO 0.11 0.51 0.03 -0.36 0.00 0.00 0.00 174.94 175.23 1wg5 s PHE 89 N 0.01 0.20 0.08 3.97 0.08 0.50 -4.88 117.98 117.93 1wg5 s PHE 89 Ca 0.04 0.10 -0.37 0.00 0.12 0.00 0.00 56.93 56.82 1wg5 s PHE 89 Cb -0.13 -0.42 -0.17 0.00 -0.57 0.00 0.00 43.02 41.73 1wg5 s PHE 89 CO 0.02 -0.16 1.22 1.17 -0.10 0.00 0.00 175.22 177.37 1wg5 n LYS 90 N 4.59 0.83 -2.67 0.44 0.00 -1.26 -0.68 118.16 119.41 1wg5 n LYS 90 Ca -0.18 0.30 -0.06 0.00 0.00 0.00 0.00 58.31 58.36 1wg5 n LYS 90 Cb 0.50 -1.86 -0.02 0.00 0.00 0.00 0.00 35.03 33.65 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 2.17 0.30 -4.10 3.14 2.88 0.70 -4.73 113.62 113.97 1wg5 n SER 91 Ca 0.18 -1.64 -0.08 0.00 -1.33 0.00 0.00 58.87 56.01 1wg5 n SER 91 Cb 0.18 0.41 -0.10 0.00 -0.75 0.00 0.00 64.21 63.95 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg5 s SER 92 N -1.70 0.52 0.15 -3.46 0.15 -1.26 -3.68 113.70 104.42 1wg5 s SER 92 Ca 0.09 -1.02 -0.23 0.00 0.70 0.00 0.00 55.95 55.50 1wg5 s SER 92 Cb 0.00 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1wg5 s SER 92 CO 0.07 -0.60 1.63 -0.09 1.20 0.00 0.00 173.24 175.44 1wg5 h ARG 93 N 3.11 -0.25 -0.31 5.44 9.65 -1.96 -2.30 114.38 127.76 1wg5 h ARG 93 Ca -0.34 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.63 1wg5 h ARG 93 Cb 1.15 0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 29.70 1wg5 h ARG 93 CO 0.65 -0.16 -0.28 0.00 2.80 0.00 0.00 179.97 182.98 1wg5 h ALA 94 N 0.77 -0.14 -0.98 2.80 0.00 -1.99 -1.32 119.26 118.40 1wg5 h ALA 94 Ca 0.13 0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.39 1wg5 h ALA 94 Cb 0.46 0.59 -0.18 0.00 0.00 0.00 0.00 17.79 18.66 1wg5 h ALA 94 CO -0.38 -0.69 -0.03 -1.91 0.00 0.00 0.00 179.25 176.25 1wg5 n GLU 95 N -5.40 -0.08 -1.57 0.00 2.13 -0.87 -4.35 120.64 110.50 1wg5 n GLU 95 Ca 0.00 1.48 -0.53 0.00 0.66 0.00 0.00 57.16 58.77 1wg5 n GLU 95 Cb 0.31 -2.33 -0.07 0.00 0.27 0.00 0.00 31.44 29.63 1wg5 n GLU 95 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wg5 n VAL 96 N -5.49 0.28 -3.10 6.31 0.31 -0.50 -4.90 118.33 111.24 1wg5 n VAL 96 Ca 0.22 -0.15 -0.40 0.00 -0.01 0.00 0.00 64.34 63.99 1wg5 n VAL 96 Cb 0.71 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg5 s ARG 97 N 4.94 4.19 -0.09 5.55 3.03 -1.26 -4.92 118.95 130.39 1wg5 s ARG 97 Ca 1.04 0.62 0.13 0.00 2.03 0.00 0.00 55.73 59.55 1wg5 s ARG 97 Cb -0.94 -3.60 0.25 0.00 -1.03 0.00 0.00 34.95 29.63 1wg5 s ARG 97 CO 0.56 -0.30 1.12 0.25 -1.13 0.00 0.00 175.30 175.81 1wg5 n THR 98 N 4.85 1.22 -3.01 4.99 -2.24 -1.26 -4.94 114.28 113.88 1wg5 n THR 98 Ca -0.01 -1.68 -0.44 0.00 -2.27 0.00 0.00 64.05 59.65 1wg5 n THR 98 Cb 0.49 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1wg5 n THR 98 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wg5 n SER 99 N -0.77 5.40 0.00 3.42 3.41 -1.26 -5.00 113.62 118.81 1wg5 n SER 99 Ca 0.11 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1wg5 n SER 99 Cb 0.72 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1wg5 n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 100 N 3.28 0.60 0.11 5.00 0.00 -1.26 -3.71 105.19 109.22 1wg5 n GLY 100 Ca 0.32 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1wg5 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg5 h PRO 101 N 0.00 0.27 -1.64 1.61 0.13 -1.97 -3.44 132.00 126.96 1wg5 h PRO 101 Ca 0.00 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 1wg5 h PRO 101 Cb 0.00 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 30.87 1wg5 h PRO 101 CO 0.00 0.68 -0.41 0.45 -0.23 0.00 0.00 178.00 178.49 1wg5 s SER 102 N -6.02 -0.29 0.16 1.44 0.15 -1.25 -5.05 113.70 102.84 1wg5 s SER 102 Ca -0.15 0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.72 1wg5 s SER 102 Cb 0.04 1.46 0.03 0.00 -1.71 0.00 0.00 66.02 65.84 1wg5 s SER 102 CO 0.73 -0.28 1.58 -1.28 1.20 0.00 0.00 173.24 175.19 1wg5 h SER 103 N 8.12 -1.29 0.00 5.45 0.87 -1.86 -3.52 113.55 121.32 1wg5 h SER 103 Ca -0.20 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wg5 h SER 103 Cb 1.16 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1wg5 h SER 103 CO 0.26 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.82